# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9565f2e0-0ca2-41d4-8adc-3bc95709589d/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 Li8TiO6 / P6_3cm (185) / materials id 772521](https://mdr.nims.go.jp/datasets/de6089d0-23c4-48fb-a83f-900f2e5d35ba) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3cm" number: 185 Hall_symbol: "P 6c -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.517455640000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.758727820000000, 4.778256750000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.736617600000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.313113980000000, 0.231811590000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.401582010000000, 0.872556390000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.598417990000000, 0.372556390000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.000000000000000, 0.686886020000000, 0.731811590000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.593562640000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.093562640000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.313113980000000, 0.000000000000000, 0.231811590000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.401582010000000, 0.000000000000000, 0.872556390000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.598417990000000, 0.000000000000000, 0.372556390000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.313113980000000, 0.313113980000000, 0.731811590000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.686886020000000, 0.000000000000000, 0.731811590000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.401582010000000, 0.401582010000000, 0.372556390000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.093562640000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.593562640000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.598417990000000, 0.598417990000000, 0.872556390000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.686886020000000, 0.686886020000000, 0.231811590000000 ] mass: 6.941000 - symbol: Ti # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.003120610000000 ] mass: 47.867000 - symbol: Ti # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.503120610000000 ] mass: 47.867000 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.314744640000000, 0.050558260000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.685255360000000, 0.550558260000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.783926560000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.831473450000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.331473450000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.283926560000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.314744640000000, 0.000000000000000, 0.050558260000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.314744640000000, 0.314744640000000, 0.550558260000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.685255360000000, 0.000000000000000, 0.550558260000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.283926560000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.783926560000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.685255360000000, 0.685255360000000, 0.050558260000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.181242961474902, 0.104640672563273, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.209281345126546, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.093139202424421 ] # c*unit_cell: lattice: - [ 5.517455640000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.758727820000000, 4.778256750000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.736617600000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.313113980000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.401582010000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.598417990000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.000000000000000, 0.686886020000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.313113980000000, 0.000000000000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.401582010000000, 0.000000000000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.598417990000000, 0.000000000000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.313113980000000, 0.313113980000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.686886020000000, 0.000000000000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.401582010000000, 0.401582010000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.598417990000000, 0.598417990000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.686886020000000, 0.686886020000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 16 - symbol: Ti # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.003120610000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.503120610000000 ] mass: 47.867000 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.314744640000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.685255360000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.831473450000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.331473450000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.314744640000000, 0.000000000000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.314744640000000, 0.314744640000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.685255360000000, 0.000000000000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.685255360000000, 0.685255360000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 30supercell: lattice: - [ 11.034911279999999, 0.000000000000000, 0.000000000000000 ] # a - [ -5.517455640000000, 9.556513499999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.736617600000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.156556990000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.500000000000000, 0.156556990000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.656556990000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.500000000000000, 0.656556990000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.200791005000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.500000000000000, 0.200791005000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.000000000000000, 0.700791005000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.500000000000000, 0.700791005000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 9 coordinates: [ 0.000000000000000, 0.299208995000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.500000000000000, 0.299208995000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.000000000000000, 0.799208995000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.500000000000000, 0.799208995000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.000000000000000, 0.343443010000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.500000000000000, 0.343443010000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.000000000000000, 0.843443010000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.500000000000000, 0.843443010000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.166666665000000, 0.333333335000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.666666665000000, 0.333333335000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 23 coordinates: [ 0.166666665000000, 0.833333335000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 24 coordinates: [ 0.666666665000000, 0.833333335000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 25 coordinates: [ 0.156556990000000, 0.000000000000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.656556990000000, 0.000000000000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.156556990000000, 0.500000000000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.656556990000000, 0.500000000000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.200791005000000, 0.000000000000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.700791005000000, 0.000000000000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 31 coordinates: [ 0.200791005000000, 0.500000000000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 32 coordinates: [ 0.700791005000000, 0.500000000000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 33 coordinates: [ 0.299208995000000, 0.000000000000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.799208995000000, 0.000000000000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 35 coordinates: [ 0.299208995000000, 0.500000000000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 36 coordinates: [ 0.799208995000000, 0.500000000000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 37 coordinates: [ 0.156556990000000, 0.156556990000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.656556990000000, 0.156556990000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 39 coordinates: [ 0.156556990000000, 0.656556990000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 40 coordinates: [ 0.656556990000000, 0.656556990000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 41 coordinates: [ 0.343443010000000, 0.000000000000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 42 coordinates: [ 0.843443010000000, 0.000000000000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 43 coordinates: [ 0.343443010000000, 0.500000000000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 44 coordinates: [ 0.843443010000000, 0.500000000000000, 0.731811590000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 45 coordinates: [ 0.200791005000000, 0.200791005000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 46 coordinates: [ 0.700791005000000, 0.200791005000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 47 coordinates: [ 0.200791005000000, 0.700791005000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 48 coordinates: [ 0.700791005000000, 0.700791005000000, 0.372556390000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 49 - symbol: Li # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 49 - symbol: Li # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 49 - symbol: Li # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.093562640000000 ] mass: 6.941000 reduced_to: 49 - symbol: Li # 53 coordinates: [ 0.333333335000000, 0.166666665000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 53 - symbol: Li # 54 coordinates: [ 0.833333335000000, 0.166666665000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 53 - symbol: Li # 55 coordinates: [ 0.333333335000000, 0.666666665000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 53 - symbol: Li # 56 coordinates: [ 0.833333335000000, 0.666666665000000, 0.593562640000000 ] mass: 6.941000 reduced_to: 53 - symbol: Li # 57 coordinates: [ 0.299208995000000, 0.299208995000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 57 - symbol: Li # 58 coordinates: [ 0.799208995000000, 0.299208995000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 57 - symbol: Li # 59 coordinates: [ 0.299208995000000, 0.799208995000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 57 - symbol: Li # 60 coordinates: [ 0.799208995000000, 0.799208995000000, 0.872556390000000 ] mass: 6.941000 reduced_to: 57 - symbol: Li # 61 coordinates: [ 0.343443010000000, 0.343443010000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 61 - symbol: Li # 62 coordinates: [ 0.843443010000000, 0.343443010000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 61 - symbol: Li # 63 coordinates: [ 0.343443010000000, 0.843443010000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 61 - symbol: Li # 64 coordinates: [ 0.843443010000000, 0.843443010000000, 0.231811590000000 ] mass: 6.941000 reduced_to: 61 - symbol: Ti # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.003120610000000 ] mass: 47.867000 reduced_to: 65 - symbol: Ti # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.003120610000000 ] mass: 47.867000 reduced_to: 65 - symbol: Ti # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.003120610000000 ] mass: 47.867000 reduced_to: 65 - symbol: Ti # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.003120610000000 ] mass: 47.867000 reduced_to: 65 - symbol: Ti # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.503120610000000 ] mass: 47.867000 reduced_to: 69 - symbol: Ti # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.503120610000000 ] mass: 47.867000 reduced_to: 69 - symbol: Ti # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.503120610000000 ] mass: 47.867000 reduced_to: 69 - symbol: Ti # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.503120610000000 ] mass: 47.867000 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.157372320000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.157372320000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.657372320000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.657372320000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.342627680000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.500000000000000, 0.342627680000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.842627680000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.842627680000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.831473450000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.831473450000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.831473450000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.831473450000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.331473450000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.331473450000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.331473450000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.331473450000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.166666665000000, 0.333333335000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.666666665000000, 0.333333335000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.166666665000000, 0.833333335000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.666666665000000, 0.833333335000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.157372320000000, 0.000000000000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.657372320000000, 0.000000000000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.157372320000000, 0.500000000000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.657372320000000, 0.500000000000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.157372320000000, 0.157372320000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.657372320000000, 0.157372320000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.157372320000000, 0.657372320000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.657372320000000, 0.657372320000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.342627680000000, 0.000000000000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.842627680000000, 0.000000000000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.342627680000000, 0.500000000000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.842627680000000, 0.500000000000000, 0.550558260000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.333333335000000, 0.166666665000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.833333335000000, 0.166666665000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.333333335000000, 0.666666665000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.833333335000000, 0.666666665000000, 0.283926560000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.833333335000000, 0.666666665000000, 0.783926560000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.342627680000000, 0.342627680000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.842627680000000, 0.342627680000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.342627680000000, 0.842627680000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.842627680000000, 0.842627680000000, 0.050558260000000 ] mass: 15.999400 reduced_to: 117born_effective_charge:- # 1 (Li) - [ 0.928614550000000, 0.016621420000000, -0.066878280000000 ] - [ 0.016621420000000, 0.909421790000000, 0.115836590000000 ] - [ 0.056120990000000, -0.097204410000000, 1.081953180000000 ]- # 2 (Li) - [ 0.914396110000000, -0.069515500000000, 0.095345970000000 ] - [ -0.069515500000000, 0.994665700000000, -0.165144070000000 ] - [ 0.062528850000000, -0.108303140000000, 0.788328780000000 ]- # 3 (Li) - [ 0.914396110000000, -0.069515500000000, -0.095345970000000 ] - [ -0.069515500000000, 0.994665700000000, 0.165144070000000 ] - [ -0.062528850000000, 0.108303140000000, 0.788328780000000 ]- # 4 (Li) - [ 0.928614550000000, 0.016621420000000, 0.066878280000000 ] - [ 0.016621420000000, 0.909421790000000, -0.115836590000000 ] - [ -0.056120990000000, 0.097204410000000, 1.081953180000000 ]- # 5 (Li) - [ 1.069827410000000, 0.206404050000000, 0.000000000000000 ] - [ -0.206404050000000, 1.069827410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.075771680000000 ]- # 6 (Li) - [ 1.069827409943652, -0.206404050097599, 0.000000000000000 ] - [ 0.206404049902401, 1.069827410056349, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.075771680000000 ]- # 7 (Li) - [ 0.899825408033029, -0.000000001140871, 0.133756569659386 ] - [ -0.000000001130391, 0.938210931966971, -0.000000005576849 ] - [ -0.112241983393341, 0.000000001959146, 1.081953180000000 ]- # 8 (Li) - [ 1.034800491456777, -0.000000002023767, -0.190691944949440 ] - [ -0.000000002067594, 0.874261318543223, 0.000000002857561 ] - [ -0.125057695520056, -0.000000002586497, 0.788328780000000 ]- # 9 (Li) - [ 1.034800491456777, -0.000000002023767, 0.190691944949440 ] - [ -0.000000002067594, 0.874261318543223, -0.000000002857561 ] - [ 0.125057695520056, 0.000000002586497, 0.788328780000000 ]- # 10 (Li) - [ 0.928614551966971, -0.016621418874848, 0.066878289659386 ] - [ -0.016621418853890, 0.909421788033029, 0.115836584423151 ] - [ -0.056120993393341, -0.097204408040854, 1.081953180000000 ]- # 11 (Li) - [ 0.899825408033029, -0.000000001140871, -0.133756569659386 ] - [ -0.000000001130391, 0.938210931966971, 0.000000005576849 ] - [ 0.112241983393341, -0.000000001959146, 1.081953180000000 ]- # 12 (Li) - [ 0.914396113543223, 0.069515502089508, -0.095345974949440 ] - [ 0.069515502001853, 0.994665696456777, -0.165144067142440 ] - [ -0.062528845520056, -0.108303142586497, 0.788328780000000 ]- # 13 (Li) - [ 1.069827409943652, 0.206404050097599, 0.000000000000000 ] - [ -0.206404049902401, 1.069827410056349, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.075771680000000 ]- # 14 (Li) - [ 1.069827410056349, -0.206404050097599, 0.000000000000000 ] - [ 0.206404049902401, 1.069827409943652, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.075771680000000 ]- # 15 (Li) - [ 0.914396113543223, 0.069515502089508, 0.095345974949440 ] - [ 0.069515502001853, 0.994665696456777, 0.165144067142440 ] - [ 0.062528845520056, 0.108303142586497, 0.788328780000000 ]- # 16 (Li) - [ 0.928614551966971, -0.016621418874848, -0.066878289659386 ] - [ -0.016621418853890, 0.909421788033029, -0.115836584423151 ] - [ 0.056120993393341, 0.097204408040854, 1.081953180000000 ]- # 17 (Ti) - [ 3.101671300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.101671300000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.965021940000000 ]- # 18 (Ti) - [ 3.101671300000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.101671300000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.965021940000000 ]- # 19 (O) - [ -1.556726910000000, 0.638574200000000, 0.212989360000000 ] - [ 0.638574200000000, -2.294088890000000, -0.368908400000000 ] - [ 0.208832990000000, -0.361709340000000, -1.539037460000000 ]- # 20 (O) - [ -1.556726910000000, 0.638574200000000, -0.212989360000000 ] - [ 0.638574200000000, -2.294088890000000, 0.368908400000000 ] - [ -0.208832990000000, 0.361709340000000, -1.539037460000001 ]- # 21 (O) - [ -1.869345710000000, -0.049597180000000, 0.000000000000000 ] - [ 0.049597180000000, -1.869345710000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.707082680000000 ]- # 22 (O) - [ -1.347058240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.347058240000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.696133460000000 ]- # 23 (O) - [ -1.347058240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.347058240000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.696133460000000 ]- # 24 (O) - [ -1.869345709986460, 0.049597180023452, 0.000000000000000 ] - [ -0.049597179976548, -1.869345710013540, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.707082680000001 ]- # 25 (O) - [ -2.662769874401325, 0.000000003031096, -0.425978726170184 ] - [ 0.000000003433697, -1.188045925598675, 0.000000003562357 ] - [ -0.417665972127356, -0.000000004545273, -1.539037460000001 ]- # 26 (O) - [ -1.556726915598675, -0.638574203634998, -0.212989366170184 ] - [ -0.638574202829795, -2.294088884401325, -0.368908396437643 ] - [ -0.208832982127356, -0.361709344545273, -1.539037460000001 ]- # 27 (O) - [ -2.662769874401325, 0.000000003031096, 0.425978726170184 ] - [ 0.000000003433697, -1.188045925598675, -0.000000003562357 ] - [ 0.417665972127356, 0.000000004545273, -1.539037460000001 ]- # 28 (O) - [ -1.869345709986460, -0.049597180023452, 0.000000000000000 ] - [ 0.049597179976548, -1.869345710013540, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.707082680000001 ]- # 29 (O) - [ -1.869345710013540, 0.049597180023452, 0.000000000000000 ] - [ -0.049597179976548, -1.869345709986460, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.707082680000001 ]- # 30 (O) - [ -1.556726915598675, -0.638574203634998, 0.212989366170184 ] - [ -0.638574202829795, -2.294088884401325, 0.368908396437643 ] - [ 0.208832982127356, 0.361709344545273, -1.539037460000001 ]dielectric_constant: - [ 3.155975610000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.155975610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.178274760000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0474354400000000, -0.0002383400000000, 0.0028332200000000 ] - [ 0.0011486500000000, 0.0000592600000000, -0.0001726700000000 ] - [ 0.0000665100000000, -0.0003158900000000, -0.0000611800000000 ] - [ 0.0002403500000000, 0.0005803600000000, 0.0000883900000000 ] - [ -0.0000712500000000, 0.0000854200000000, 0.0000176700000000 ] - [ 0.0002558500000000, -0.0001061400000000, 0.0000247100000000 ] - [ 0.0000855200000000, -0.0002282000000000, 0.0000226300000000 ] - [ -0.0000436200000000, 0.0001040200000000, -0.0000176400000000 ] - [ -0.0030271600000000, -0.0072112600000000, -0.0073007300000000 ] - [ 0.0006749600000000, 0.0003872300000000, 0.0001051000000000 ] - [ 0.0003911700000000, -0.0006394200000000, -0.0000953400000000 ] - [ 0.0002971900000000, 0.0004543600000000, -0.0001451000000000 ] - [ -0.0001508700000000, 0.0000210500000000, -0.0001266400000000 ] - [ 0.0001689200000000, -0.0000434700000000, 0.0000003800000000 ] - [ 0.0000245100000000, -0.0002032800000000, 0.0002001100000000 ] - [ -0.0000335100000000, 0.0000732500000000, -0.0000751300000000 ] - [ -0.0004043500000000, 0.0003059600000000, 0.0004146400000000 ] - [ 0.0002736100000000, -0.0001286900000000, -0.0001468600000000 ] - [ 0.0003844200000000, -0.0000585000000000, 0.0000121200000000 ] - [ -0.0002137900000000, 0.0000339400000000, -0.0001413100000000 ] - [ -0.0013101700000000, 0.0044966800000000, -0.0044111000000000 ] - [ 0.0005032700000000, -0.0002599000000000, 0.0001926300000000 ] - [ 0.0002695300000000, -0.0004099500000000, -0.0001053300000000 ] - [ -0.0000607700000000, 0.0007110000000000, 0.0004823000000000 ] - [ 0.0034528400000000, -0.0029872900000000, 0.0001257900000000 ] - [ 0.0024757700000000, 0.0022366300000000, 0.0004648100000000 ] - [ -0.0010823600000000, 0.0001721200000000, -0.0004291000000000 ] - [ 0.0002670300000000, -0.0001071100000000, 0.0000257700000000 ] - [ 0.0001261200000000, -0.0000099300000000, -0.0002759800000000 ] - [ -0.0002674100000000, 0.0000457200000000, 0.0002401200000000 ] - [ -0.0001946500000000, 0.0000873900000000, -0.0000071800000000 ] - [ 0.0001040000000000, -0.0000868700000000, -0.0000190500000000 ] - [ 0.0007381700000000, -0.0004541400000000, 0.0002902200000000 ] - [ 0.0003131600000000, 0.0053206000000000, -0.0053273300000000 ] - [ 0.0003591700000000, 0.0007892900000000, 0.0003370000000000 ] - [ 0.0002656800000000, -0.0003981400000000, -0.0001035900000000 ] - [ -0.0000010300000000, 0.0001353900000000, 0.0003047400000000 ] - [ 0.0000065900000000, -0.0000226900000000, -0.0001564300000000 ] - [ 0.0000180300000000, -0.0000880400000000, -0.0000573300000000 ] - [ 0.0000167000000000, 0.0000786500000000, -0.0000160900000000 ] - [ 0.0001952900000000, -0.0000354300000000, -0.0000678100000000 ] - [ -0.0002738300000000, 0.0000016600000000, 0.0000625100000000 ] - [ -0.0001144100000000, 0.0000716200000000, 0.0000310300000000 ] - [ 0.0000536800000000, -0.0001179000000000, -0.0000586300000000 ] - [ 0.0061267400000000, 0.0018197700000000, 0.0068488400000000 ] - [ 0.0020220500000000, -0.0003454800000000, -0.0009424700000000 ] - [ -0.0000953600000000, -0.0001586400000000, 0.0001056800000000 ] - [ -0.0004263800000000, 0.0000516800000000, -0.0002508900000000 ] - [ 0.0010335900000000, 0.0000642100000000, -0.0007360200000000 ] - [ 0.0071856300000000, -0.0006025000000000, 0.0097147500000000 ] - [ -0.0001077200000000, 0.0001687800000000, -0.0001661300000000 ] - [ 0.0000533500000000, -0.0001012700000000, -0.0000700300000000 ] - [ 0.0004690200000000, -0.0000494400000000, 0.0001983700000000 ] - [ -0.0002564700000000, 0.0002223800000000, -0.0010066100000000 ] - [ -0.0000719200000000, 0.0002099300000000, -0.0000105100000000 ] - [ -0.0000138600000000, -0.0003088500000000, 0.0000353500000000 ] - [ -0.0000187000000000, 0.0000690600000000, -0.0001772600000000 ] - [ 0.0000474100000000, 0.0000626300000000, 0.0002512800000000 ] - [ 0.0001292100000000, 0.0000793200000000, 0.0000461500000000 ] - [ -0.0000324800000000, 0.0000015600000000, 0.0000039700000000 ] - [ 0.0018879200000000, 0.0015697500000000, -0.0001436600000000 ] - [ 0.0018733200000000, -0.0025622300000000, 0.0004519100000000 ] - [ 0.0002921200000000, 0.0001416700000000, -0.0000556000000000 ] - [ -0.0015683700000000, 0.0001035500000000, -0.0003980300000000 ] - [ -0.0021455400000000, -0.0017135400000000, -0.0042103000000000 ] - [ 0.0018432500000000, 0.0000659400000000, 0.0005979500000000 ] - [ -0.0010548900000000, -0.0016110800000000, 0.0006079700000000 ] - [ 0.0006410400000000, 0.0011487700000000, -0.0001192800000000 ] - [ -0.0014216200000000, -0.0004062600000000, 0.0045356900000000 ] - [ 0.0012976600000000, 0.0007356500000000, -0.0006712800000000 ] - [ -0.0001928400000000, -0.0009754100000000, -0.0005788300000000 ] - [ 0.0005014200000000, 0.0004167600000000, 0.0002646300000000 ] - [ 0.0079266700000000, -0.0008118300000000, -0.0007018500000000 ] - [ -0.0006765600000000, 0.0000889600000000, 0.0000293300000000 ] - [ -0.0000519500000000, 0.0003087900000000, -0.0000014500000000 ] - [ 0.0004114000000000, -0.0009974400000000, -0.0003025500000000 ] - [ 0.0006383700000000, 0.0010160700000000, 0.0005548700000000 ] - [ -0.0006621400000000, 0.0002586300000000, -0.0002476300000000 ] - [ -0.0008926300000000, 0.0014728700000000, -0.0006774700000000 ] - [ -0.0001439600000000, -0.0000641200000000, 0.0001130000000000 ] - [ 0.0003072400000000, -0.0001606400000000, -0.0000237900000000 ] - [ -0.0002706600000000, 0.0001277100000000, 0.0000333400000000 ] - [ -0.0002868400000000, 0.0002090300000000, 0.0000763800000000 ] - [ 0.0002404000000000, -0.0001120100000000, -0.0000143300000000 ] - [ 0.0001241800000000, -0.0000122700000000, 0.0004080900000000 ] - [ -0.0001816200000000, -0.0000301500000000, -0.0000009100000000 ] - [ 0.0000816000000000, 0.0001218200000000, 0.0000602600000000 ] - [ -0.0000557900000000, -0.0000887500000000, 0.0005264400000000 ] - [ 0.0074144000000000, -0.0000342800000000, -0.0019234600000000 ] - [ -0.0016859500000000, -0.0005917000000000, 0.0008801500000000 ] - [ 0.0006255300000000, 0.0014998700000000, 0.0009196500000000 ] - [ -0.0005030600000000, -0.0006288100000000, 0.0002052200000000 ] - [ 0.0102294500000000, 0.0008425300000000, 0.0004491400000000 ] - [ -0.0020524300000000, 0.0007904800000000, 0.0001292600000000 ] - [ -0.0006451100000000, 0.0007414800000000, 0.0000087400000000 ] - [ 0.0001041400000000, -0.0026323300000000, 0.0005425500000000 ] - [ -0.0005251500000000, 0.0009885900000000, 0.0018914200000000 ] - [ -0.0021967900000000, -0.0009911500000000, -0.0019682300000000 ] - [ 0.0007857900000000, -0.0002173300000000, 0.0003701700000000 ] - [ -0.0010081400000000, 0.0001519300000000, -0.0002729800000000 ] - [ -0.0006569700000000, -0.0008725800000000, -0.0012907800000000 ] - [ -0.0010832600000000, -0.0007289600000000, 0.0007108800000000 ] - [ -0.0000388600000000, 0.0000920500000000, -0.0000504600000000 ] - [ -0.0001976500000000, -0.0005794800000000, -0.0001041400000000 ] - [ -0.0007102700000000, 0.0001155400000000, -0.0000827100000000 ] - [ 0.0031409800000000, -0.0006962400000000, 0.0002806000000000 ] - [ 0.0001957500000000, -0.0004393800000000, -0.0004565800000000 ] - [ 0.0000809200000000, 0.0002985200000000, 0.0000576700000000 ] - [ -0.0035537400000000, -0.0001190000000000, -0.0004754500000000 ] - [ 0.0095991100000000, -0.0000905600000000, -0.0002088800000000 ] - [ -0.0001511100000000, -0.0010473400000000, 0.0000688500000000 ] - [ 0.0001000000000000, 0.0006889800000000, 0.0002900200000000 ] - [ -0.0003621600000000, 0.0000131600000000, 0.0000484600000000 ] - [ 0.0003604500000000, -0.0001092300000000, 0.0000630500000000 ] - [ 0.0000901000000000, -0.0001242500000000, 0.0000522400000000 ] - [ -0.0000423800000000, 0.0002237200000000, -0.0000249100000000 ] - [ -0.0008786800000000, -0.0009329100000000, 0.0010737600000000 ] - [ 0.0000245400000000, 0.0023972900000000, -0.0019161000000000 ] - [ -0.0002736400000000, -0.0000995000000000, 0.0000286800000000 ] - [ 0.0008168800000000, 0.0005665200000000, -0.0002115800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0485278300000000, 0.0001742500000000, -0.0035303700000000 ] - [ -0.0011637500000000, 0.0000336300000000, 0.0001088200000000 ] - [ -0.0000907000000000, 0.0004103600000000, 0.0000066700000000 ] - [ -0.0002591600000000, -0.0004953900000000, -0.0001485500000000 ] - [ 0.0001192800000000, -0.0001591600000000, -0.0000829100000000 ] - [ -0.0002068300000000, 0.0000355100000000, -0.0000874900000000 ] - [ -0.0000397600000000, 0.0001551600000000, -0.0000971400000000 ] - [ 0.0000894300000000, -0.0001814000000000, -0.0000452300000000 ] - [ 0.0030588700000000, 0.0072617100000000, 0.0072153000000000 ] - [ -0.0007250400000000, -0.0003061800000000, -0.0001668500000000 ] - [ -0.0004471800000000, 0.0007128800000000, 0.0000326700000000 ] - [ -0.0003497500000000, -0.0003871200000000, 0.0000795000000000 ] - [ 0.0001696300000000, -0.0001170400000000, 0.0000733900000000 ] - [ -0.0001512300000000, -0.0000478600000000, -0.0000634000000000 ] - [ -0.0000075100000000, 0.0001084800000000, -0.0002619000000000 ] - [ 0.0000488100000000, -0.0001680900000000, 0.0000158200000000 ] - [ 0.0004407600000000, -0.0002719500000000, -0.0004617700000000 ] - [ -0.0002470500000000, 0.0001677800000000, 0.0000991400000000 ] - [ -0.0003600100000000, 0.0000964800000000, -0.0000580800000000 ] - [ 0.0002468000000000, 0.0000056300000000, 0.0000915800000000 ] - [ 0.0012314800000000, -0.0045400200000000, 0.0043681600000000 ] - [ -0.0005199500000000, 0.0002103200000000, -0.0002429200000000 ] - [ -0.0002858200000000, 0.0003665800000000, 0.0000587000000000 ] - [ 0.0000478200000000, -0.0007612100000000, -0.0005332300000000 ] - [ -0.0033152700000000, 0.0029638600000000, -0.0001802000000000 ] - [ -0.0024056200000000, -0.0022089500000000, -0.0005191700000000 ] - [ 0.0011838300000000, -0.0001418100000000, 0.0003707600000000 ] - [ -0.0001821800000000, 0.0001486400000000, -0.0000759900000000 ] - [ -0.0002156700000000, 0.0000116400000000, 0.0002035200000000 ] - [ 0.0001825800000000, -0.0000346000000000, -0.0003090500000000 ] - [ 0.0001085500000000, -0.0000863000000000, -0.0000632600000000 ] - [ -0.0001907500000000, 0.0000942800000000, -0.0000559300000000 ] - [ -0.0006479500000000, 0.0004438600000000, -0.0003543800000000 ] - [ -0.0002094600000000, -0.0053456900000000, 0.0052924700000000 ] - [ -0.0002745300000000, -0.0007835300000000, -0.0004071800000000 ] - [ -0.0001788400000000, 0.0004032900000000, 0.0000366500000000 ] - [ 0.0000327400000000, -0.0000699500000000, -0.0003737100000000 ] - [ 0.0000355200000000, 0.0000829200000000, 0.0000938400000000 ] - [ 0.0000205400000000, 0.0001524200000000, -0.0000065400000000 ] - [ 0.0000226900000000, -0.0000176700000000, -0.0000491600000000 ] - [ -0.0002880900000000, 0.0000014100000000, 0.0000066800000000 ] - [ 0.0001808300000000, -0.0000279100000000, -0.0001237100000000 ] - [ 0.0000197400000000, -0.0001068000000000, -0.0000902700000000 ] - [ -0.0001467700000000, 0.0000894500000000, -0.0000002200000000 ] - [ -0.0061195700000000, -0.0018761600000000, -0.0067690700000000 ] - [ -0.0020793400000000, 0.0002563400000000, 0.0008919000000000 ] - [ 0.0000528200000000, 0.0000694200000000, -0.0001585700000000 ] - [ 0.0003823400000000, -0.0001387200000000, 0.0001976900000000 ] - [ -0.0010487400000000, -0.0001054000000000, 0.0006781800000000 ] - [ -0.0073022800000000, 0.0005746500000000, -0.0098975900000000 ] - [ 0.0000834900000000, -0.0002083300000000, 0.0001265900000000 ] - [ -0.0000879500000000, 0.0000752500000000, 0.0000286600000000 ] - [ -0.0004561600000000, 0.0000936500000000, -0.0002457800000000 ] - [ 0.0002752800000000, -0.0001860300000000, 0.0009684000000000 ] - [ 0.0000889900000000, -0.0001688000000000, -0.0000344400000000 ] - [ 0.0000318600000000, 0.0003570300000000, -0.0000807000000000 ] - [ 0.0000611500000000, 0.0000200000000000, 0.0001205700000000 ] - [ 0.0000074100000000, 0.0000214200000000, -0.0003040100000000 ] - [ -0.0000800200000000, 0.0000053200000000, -0.0001004700000000 ] - [ 0.0000873500000000, 0.0000860900000000, -0.0000488900000000 ] - [ -0.0019084600000000, -0.0016021300000000, 0.0000866700000000 ] - [ -0.0019213400000000, 0.0025026900000000, -0.0005104300000000 ] - [ -0.0003257900000000, -0.0002106400000000, -0.0000069500000000 ] - [ 0.0015351800000000, -0.0001535900000000, 0.0003273900000000 ] - [ 0.0020650400000000, 0.0017415900000000, 0.0044507700000000 ] - [ -0.0018505600000000, -0.0000651300000000, -0.0003816200000000 ] - [ 0.0010639800000000, 0.0016144000000000, -0.0003976700000000 ] - [ -0.0006438000000000, -0.0011299900000000, 0.0003295300000000 ] - [ 0.0014197200000000, 0.0004098800000000, -0.0043304100000000 ] - [ -0.0012935000000000, -0.0007390600000000, 0.0008974700000000 ] - [ 0.0001917200000000, 0.0009827600000000, 0.0008000500000000 ] - [ -0.0005052600000000, -0.0004117400000000, -0.0000480400000000 ] - [ -0.0075327200000000, 0.0001806900000000, 0.0005801500000000 ] - [ 0.0010720600000000, -0.0006934000000000, -0.0002241300000000 ] - [ 0.0004496600000000, -0.0009149300000000, -0.0002040000000000 ] - [ -0.0000118900000000, 0.0003871900000000, 0.0000880000000000 ] - [ -0.0010376300000000, -0.0004200400000000, -0.0007686600000000 ] - [ 0.0002686800000000, 0.0003249000000000, 0.0000423900000000 ] - [ 0.0004911000000000, -0.0008691700000000, 0.0004831900000000 ] - [ -0.0002699700000000, 0.0006838800000000, -0.0003169500000000 ] - [ -0.0002812200000000, 0.0001953600000000, 0.0001353100000000 ] - [ 0.0002869500000000, -0.0000930300000000, 0.0000766400000000 ] - [ 0.0002991500000000, -0.0001782400000000, 0.0000390800000000 ] - [ -0.0002366200000000, 0.0001509400000000, 0.0001415900000000 ] - [ -0.0001158000000000, 0.0000120900000000, 0.0002289400000000 ] - [ 0.0001889600000000, 0.0000356700000000, 0.0006499400000000 ] - [ -0.0000778600000000, -0.0001174300000000, 0.0005921000000000 ] - [ 0.0000592300000000, 0.0000897600000000, 0.0001321000000000 ] - [ -0.0073380700000000, -0.0000808800000000, 0.0026868400000000 ] - [ 0.0016707000000000, 0.0005918600000000, -0.0002181700000000 ] - [ -0.0006246200000000, -0.0015138500000000, -0.0002781400000000 ] - [ 0.0005065600000000, 0.0006164600000000, 0.0004335500000000 ] - [ -0.0101611100000000, -0.0006737800000000, -0.0002765800000000 ] - [ 0.0020329000000000, -0.0008249900000000, -0.0000130100000000 ] - [ 0.0006423900000000, -0.0007387000000000, 0.0001062000000000 ] - [ -0.0001026700000000, 0.0026224400000000, -0.0004350600000000 ] - [ -0.0001783100000000, -0.0009269700000000, -0.0020694600000000 ] - [ 0.0014977900000000, 0.0010475900000000, 0.0017620700000000 ] - [ -0.0015083700000000, 0.0002652700000000, -0.0005794800000000 ] - [ 0.0002794500000000, -0.0001075100000000, 0.0000595300000000 ] - [ 0.0002832900000000, 0.0002152100000000, 0.0010735600000000 ] - [ 0.0007008900000000, 0.0000608800000000, -0.0009406500000000 ] - [ -0.0003371300000000, -0.0007489500000000, -0.0001694700000000 ] - [ -0.0001740500000000, -0.0000683600000000, -0.0001169200000000 ] - [ 0.0014329700000000, -0.0001552000000000, -0.0001364500000000 ] - [ -0.0024193900000000, 0.0006542600000000, -0.0004858200000000 ] - [ 0.0005195000000000, 0.0003987900000000, 0.0002624600000000 ] - [ 0.0006437300000000, -0.0003415700000000, -0.0002606200000000 ] - [ 0.0035088300000000, 0.0000790600000000, 0.0005769300000000 ] - [ -0.0108069800000000, 0.0001477700000000, 0.0006744500000000 ] - [ 0.0001165200000000, 0.0010269600000000, 0.0000287000000000 ] - [ -0.0001184300000000, -0.0007147800000000, -0.0001846100000000 ] - [ 0.0003609900000000, 0.0000113400000000, 0.0000647900000000 ] - [ -0.0003648100000000, 0.0001134600000000, 0.0000504900000000 ] - [ -0.0000785900000000, 0.0001416100000000, 0.0000631000000000 ] - [ 0.0000574900000000, -0.0002076200000000, 0.0001378900000000 ] - [ 0.0012523100000000, 0.0015736300000000, -0.0012910700000000 ] - [ 0.0003562700000000, -0.0017566500000000, 0.0017081300000000 ] - [ 0.0006523100000000, 0.0007548700000000, -0.0002501900000000 ] - [ -0.0004368300000000, 0.0000774000000000, -0.0000129300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0031513400000000, -0.0054582900000000, -0.0664069700000000 ] - [ -0.0001671800000000, -0.0000170600000000, -0.0003890100000000 ] - [ -0.0000594300000000, 0.0001029400000000, -0.0005482700000000 ] - [ 0.0000983600000000, 0.0001362500000000, -0.0003890100000000 ] - [ 0.0004471000000000, -0.0007744100000000, 0.0017104900000000 ] - [ -0.0000575300000000, -0.0000897800000000, -0.0000008200000000 ] - [ -0.0001497600000000, 0.0002593900000000, 0.0001707100000000 ] - [ 0.0001065200000000, 0.0000049300000000, -0.0000008200000000 ] - [ -0.0077276100000000, 0.0133846200000000, 0.0085145300000000 ] - [ 0.0000340500000000, 0.0000530100000000, -0.0000334200000000 ] - [ 0.0005177100000000, -0.0008966900000000, -0.0003056800000000 ] - [ -0.0000629300000000, -0.0000029800000000, -0.0000334200000000 ] - [ 0.0001217900000000, -0.0002109400000000, 0.0006498500000000 ] - [ -0.0000075000000000, -0.0000763700000000, 0.0002541800000000 ] - [ -0.0002057900000000, 0.0003564500000000, 0.0010918400000000 ] - [ 0.0000698900000000, -0.0000316900000000, 0.0002541800000000 ] - [ 0.0000411100000000, 0.0004776000000000, 0.0008789500000000 ] - [ -0.0000539500000000, -0.0000169500000000, 0.0002555600000000 ] - [ 0.0003417500000000, 0.0000047700000000, 0.0004082500000000 ] - [ -0.0002888700000000, -0.0003458000000000, 0.0004251500000000 ] - [ -0.0040416900000000, -0.0081674900000000, 0.0023063200000000 ] - [ 0.0000229400000000, 0.0000638900000000, -0.0004057300000000 ] - [ -0.0004776300000000, 0.0005761100000000, -0.0006105300000000 ] - [ 0.0009481200000000, 0.0004424600000000, -0.0005802100000000 ] - [ 0.0002475600000000, 0.0003100200000000, -0.0024258300000000 ] - [ -0.0000286400000000, -0.0004942700000000, -0.0008722500000000 ] - [ -0.0003227600000000, 0.0003504400000000, -0.0008787100000000 ] - [ 0.0000152700000000, 0.0000512700000000, -0.0004121700000000 ] - [ -0.0007601900000000, -0.0000202300000000, 0.0006535300000000 ] - [ 0.0005621400000000, 0.0002206800000000, 0.0003423200000000 ] - [ -0.0000574800000000, -0.0002861700000000, 0.0001092700000000 ] - [ -0.0000429500000000, 0.0000990400000000, 0.0000195600000000 ] - [ 0.0003968800000000, -0.0000222400000000, -0.0001479000000000 ] - [ -0.0047280300000000, -0.0050566500000000, 0.0023968100000000 ] - [ 0.0003595300000000, 0.0007004400000000, 0.0004249000000000 ] - [ -0.0000673100000000, 0.0000053200000000, -0.0000793500000000 ] - [ -0.0003073600000000, -0.0002628600000000, 0.0012772900000000 ] - [ 0.0001493300000000, 0.0000365600000000, 0.0003052600000000 ] - [ 0.0000084900000000, 0.0000572000000000, 0.0003302400000000 ] - [ 0.0000539400000000, 0.0000800900000000, 0.0003274000000000 ] - [ -0.0000963300000000, -0.0000066600000000, 0.0003274000000000 ] - [ 0.0003813200000000, 0.0001347500000000, 0.0012772900000000 ] - [ -0.0001063300000000, -0.0001110500000000, 0.0003052600000000 ] - [ -0.0000537900000000, 0.0000212500000000, 0.0003302400000000 ] - [ 0.0067432000000000, 0.0015662700000000, 0.0023968100000000 ] - [ -0.0007863700000000, 0.0000388600000000, 0.0004249000000000 ] - [ 0.0000290500000000, 0.0000609500000000, -0.0000793500000000 ] - [ -0.0001791800000000, -0.0003548300000000, -0.0001479000000000 ] - [ -0.0008572400000000, -0.0005998700000000, -0.0005802100000000 ] - [ 0.0090941000000000, -0.0005835400000000, 0.0023063200000000 ] - [ -0.0000668000000000, 0.0000120800000000, -0.0004057300000000 ] - [ -0.0002601100000000, 0.0007016900000000, -0.0006105300000000 ] - [ 0.0004439100000000, 0.0000772700000000, 0.0004251500000000 ] - [ -0.0004341700000000, 0.0002031900000000, 0.0008789500000000 ] - [ 0.0000416600000000, 0.0000382500000000, 0.0002555600000000 ] - [ -0.0001750000000000, -0.0002935800000000, 0.0004082500000000 ] - [ -0.0004721800000000, -0.0003764900000000, 0.0003423200000000 ] - [ 0.0002765700000000, -0.0000933000000000, 0.0001092700000000 ] - [ -0.0000642900000000, 0.0000867200000000, 0.0000195600000000 ] - [ 0.0003976200000000, 0.0006482200000000, 0.0006535300000000 ] - [ 0.0004423700000000, -0.0002223300000000, -0.0008722500000000 ] - [ -0.0001421100000000, 0.0004547400000000, -0.0008787100000000 ] - [ -0.0000520400000000, 0.0000124100000000, -0.0004121700000000 ] - [ -0.0003922700000000, -0.0000593800000000, -0.0024258300000000 ] - [ -0.0072366800000000, 0.0125343000000000, 0.0095129100000000 ] - [ 0.0003794300000000, -0.0000426200000000, 0.0001178100000000 ] - [ 0.0004220600000000, -0.0007310300000000, 0.0002747500000000 ] - [ -0.0001528100000000, -0.0003499000000000, 0.0001178100000000 ] - [ 0.0014836500000000, -0.0025697600000000, 0.0086089000000000 ] - [ -0.0001570100000000, -0.0001059800000000, 0.0005176800000000 ] - [ -0.0004994400000000, 0.0008650500000000, 0.0006701600000000 ] - [ 0.0001702800000000, 0.0000829900000000, 0.0005176800000000 ] - [ 0.0030121100000000, -0.0052171200000000, 0.0143413200000000 ] - [ 0.0003350600000000, -0.0000391800000000, 0.0003088600000000 ] - [ 0.0003493100000000, -0.0006050100000000, 0.0002954700000000 ] - [ -0.0001336000000000, -0.0003097600000000, 0.0003088600000000 ] - [ 0.0004223100000000, -0.0007314600000000, -0.0014623200000000 ] - [ -0.0003296700000000, 0.0003344500000000, -0.0004360000000000 ] - [ -0.0012072100000000, 0.0020909500000000, -0.0016200800000000 ] - [ -0.0001248000000000, 0.0004527300000000, -0.0004360000000000 ] - [ 0.0002145600000000, 0.0006768600000000, -0.0014557700000000 ] - [ -0.0000552400000000, 0.0000301000000000, -0.0003237700000000 ] - [ 0.0002927500000000, -0.0002622600000000, -0.0008125500000000 ] - [ -0.0003531200000000, -0.0001743200000000, -0.0008406100000000 ] - [ 0.0002516400000000, -0.0004358500000000, -0.0044876200000000 ] - [ -0.0000330100000000, -0.0000216800000000, -0.0000725100000000 ] - [ -0.0000581300000000, 0.0001006800000000, -0.0002374900000000 ] - [ 0.0000352800000000, 0.0000177500000000, -0.0000725100000000 ] - [ -0.0003514900000000, 0.0006088000000000, 0.0041414600000000 ] - [ 0.0003047700000000, 0.0002032100000000, 0.0002898700000000 ] - [ 0.0004257900000000, -0.0007374800000000, 0.0004386400000000 ] - [ -0.0003283700000000, -0.0001623400000000, 0.0002898700000000 ] - [ -0.0004567700000000, -0.0003374500000000, 0.0102185100000000 ] - [ 0.0004932100000000, -0.0003244000000000, 0.0003798200000000 ] - [ -0.0004855800000000, 0.0001023600000000, 0.0010755200000000 ] - [ 0.0003094500000000, 0.0007942800000000, 0.0013168500000000 ] - [ 0.0039288800000000, -0.0005321500000000, 0.0008210700000000 ] - [ -0.0019393800000000, -0.0002331700000000, 0.0004094200000000 ] - [ -0.0004265300000000, 0.0010582700000000, 0.0004281500000000 ] - [ -0.0002522800000000, -0.0002403000000000, 0.0002448900000000 ] - [ -0.0013586600000000, -0.0011479600000000, -0.0021501000000000 ] - [ 0.0000636000000000, -0.0003313000000000, -0.0006026500000000 ] - [ -0.0004354300000000, -0.0006462000000000, -0.0005281900000000 ] - [ -0.0000864900000000, -0.0001681400000000, -0.0004616400000000 ] - [ 0.0001888600000000, -0.0000091700000000, -0.0004616400000000 ] - [ 0.0016734900000000, 0.0006026500000000, -0.0021501000000000 ] - [ 0.0002551200000000, -0.0002207300000000, -0.0006026500000000 ] - [ 0.0007773400000000, 0.0000540000000000, -0.0005281900000000 ] - [ -0.0008425900000000, 0.0001291400000000, 0.0013168500000000 ] - [ 0.0005206300000000, 0.0002268500000000, 0.0102185100000000 ] - [ 0.0000343300000000, -0.0005893300000000, 0.0003798200000000 ] - [ 0.0001541400000000, 0.0004717100000000, 0.0010755200000000 ] - [ 0.0003275300000000, 0.0002186500000000, -0.0008406100000000 ] - [ -0.0006934600000000, 0.0001526200000000, -0.0014557700000000 ] - [ 0.0000015600000000, 0.0000628900000000, -0.0003237700000000 ] - [ 0.0000807500000000, -0.0003846600000000, -0.0008125500000000 ] - [ 0.0011716300000000, 0.0015629700000000, 0.0004094200000000 ] - [ -0.0007032200000000, 0.0008985200000000, 0.0004281500000000 ] - [ 0.0003342500000000, 0.0000983300000000, 0.0002448900000000 ] - [ -0.0015035900000000, -0.0036685800000000, 0.0008210700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0032033200000000, 0.0055483100000000, 0.0679183200000000 ] - [ 0.0001223300000000, 0.0000953200000000, 0.0003291100000000 ] - [ 0.0000104800000000, -0.0000181600000000, 0.0005005100000000 ] - [ -0.0001437100000000, -0.0000582800000000, 0.0003291100000000 ] - [ -0.0004006400000000, 0.0006939300000000, -0.0018165500000000 ] - [ 0.0001049100000000, 0.0000123500000000, -0.0000975100000000 ] - [ 0.0001935500000000, -0.0003352300000000, -0.0002640200000000 ] - [ -0.0000631500000000, -0.0000846800000000, -0.0000975100000000 ] - [ 0.0075757400000000, -0.0131215600000000, -0.0086066300000000 ] - [ -0.0000790400000000, 0.0000243500000000, -0.0000649700000000 ] - [ -0.0005652000000000, 0.0009789600000000, 0.0002183100000000 ] - [ 0.0000184400000000, 0.0000806300000000, -0.0000649700000000 ] - [ -0.0000751200000000, 0.0001301100000000, -0.0006877700000000 ] - [ 0.0000521800000000, -0.0000037200000000, -0.0003148300000000 ] - [ 0.0002532200000000, -0.0004385900000000, -0.0011540100000000 ] - [ -0.0000228700000000, -0.0000470500000000, -0.0003148300000000 ] - [ -0.0000459500000000, -0.0004517000000000, -0.0009182300000000 ] - [ 0.0000453600000000, 0.0000372400000000, -0.0002934300000000 ] - [ -0.0003504700000000, 0.0000175600000000, -0.0004502900000000 ] - [ 0.0002788000000000, 0.0003666000000000, -0.0004667800000000 ] - [ 0.0040906400000000, 0.0082193700000000, -0.0023361600000000 ] - [ -0.0000076300000000, -0.0000826400000000, 0.0003677700000000 ] - [ 0.0004953700000000, -0.0005961900000000, 0.0005693700000000 ] - [ -0.0009369300000000, -0.0004620900000000, 0.0005426300000000 ] - [ -0.0001781500000000, -0.0002843900000000, 0.0023821600000000 ] - [ 0.0001260400000000, 0.0005205200000000, 0.0008237400000000 ] - [ 0.0004214000000000, -0.0003465900000000, 0.0008228400000000 ] - [ 0.0000719900000000, -0.0000372900000000, 0.0003492000000000 ] - [ 0.0006642500000000, 0.0000211100000000, -0.0007460100000000 ] - [ -0.0006557100000000, -0.0002194200000000, -0.0004323000000000 ] - [ -0.0000364900000000, 0.0002909400000000, -0.0001999200000000 ] - [ -0.0000563800000000, -0.0000952800000000, -0.0001114200000000 ] - [ -0.0003048800000000, 0.0000224400000000, 0.0000590100000000 ] - [ 0.0047760700000000, 0.0049980800000000, -0.0025301000000000 ] - [ -0.0002679600000000, -0.0007024300000000, -0.0005189800000000 ] - [ 0.0001622500000000, -0.0000104800000000, -0.0000127500000000 ] - [ 0.0003658600000000, 0.0003346300000000, -0.0013281400000000 ] - [ -0.0000949100000000, 0.0000291100000000, -0.0003621300000000 ] - [ 0.0000431500000000, -0.0000027000000000, -0.0003886400000000 ] - [ 0.0000003800000000, -0.0000177100000000, -0.0003891600000000 ] - [ 0.0000151500000000, -0.0000091800000000, -0.0003891600000000 ] - [ -0.0004727300000000, -0.0001495300000000, -0.0013281400000000 ] - [ 0.0000222400000000, 0.0000967500000000, -0.0003621300000000 ] - [ -0.0000192300000000, -0.0000387200000000, -0.0003886400000000 ] - [ -0.0067165000000000, -0.0016371600000000, -0.0025301000000000 ] - [ 0.0007423100000000, -0.0001191500000000, -0.0005189800000000 ] - [ -0.0000720500000000, -0.0001457500000000, -0.0000127500000000 ] - [ 0.0001330100000000, 0.0002752500000000, 0.0000590100000000 ] - [ 0.0008686500000000, 0.0005803600000000, 0.0005426300000000 ] - [ -0.0091635100000000, 0.0005670800000000, -0.0023361600000000 ] - [ 0.0000753800000000, -0.0000347100000000, 0.0003677700000000 ] - [ 0.0002686300000000, -0.0007271000000000, 0.0005693700000000 ] - [ -0.0004568900000000, -0.0000581400000000, -0.0004667800000000 ] - [ 0.0004141600000000, -0.0001860500000000, -0.0009182300000000 ] - [ -0.0000549300000000, -0.0000206600000000, -0.0002934300000000 ] - [ 0.0001600200000000, 0.0003122900000000, -0.0004502900000000 ] - [ 0.0005178800000000, 0.0004581500000000, -0.0004323000000000 ] - [ -0.0002337100000000, 0.0001770700000000, -0.0001999200000000 ] - [ 0.0001107000000000, 0.0000011900000000, -0.0001114200000000 ] - [ -0.0003504100000000, -0.0005647000000000, -0.0007460100000000 ] - [ -0.0005138000000000, 0.0001511100000000, 0.0008237400000000 ] - [ 0.0000894500000000, -0.0005382400000000, 0.0008228400000000 ] - [ -0.0000037000000000, -0.0000809900000000, 0.0003492000000000 ] - [ 0.0003353600000000, 0.0000120900000000, 0.0023821600000000 ] - [ 0.0072750300000000, -0.0126007300000000, -0.0093916700000000 ] - [ -0.0003834300000000, 0.0000431000000000, 0.0001064400000000 ] - [ -0.0004212000000000, 0.0007295400000000, -0.0000524500000000 ] - [ 0.0001543900000000, 0.0003536100000000, 0.0001064400000000 ] - [ -0.0014461400000000, 0.0025048000000000, -0.0083692900000000 ] - [ 0.0001568500000000, 0.0001080400000000, -0.0002980000000000 ] - [ 0.0004929200000000, -0.0008537600000000, -0.0004585700000000 ] - [ -0.0001719900000000, -0.0000818200000000, -0.0002980000000000 ] - [ -0.0026375600000000, 0.0045683900000000, -0.0160630400000000 ] - [ 0.0000315700000000, -0.0006020600000000, -0.0005234800000000 ] - [ 0.0000178800000000, -0.0000309600000000, -0.0005082200000000 ] - [ 0.0005056100000000, -0.0003283700000000, -0.0005234800000000 ] - [ -0.0007833000000000, 0.0013567100000000, 0.0012423700000000 ] - [ -0.0000391400000000, 0.0003032100000000, 0.0002277800000000 ] - [ 0.0008393700000000, -0.0014538400000000, 0.0014118000000000 ] - [ -0.0002430200000000, 0.0001855000000000, 0.0002277800000000 ] - [ -0.0002223900000000, -0.0006729200000000, 0.0016029000000000 ] - [ 0.0000530100000000, -0.0000232000000000, 0.0004626100000000 ] - [ -0.0003088100000000, 0.0002786700000000, 0.0009500400000000 ] - [ 0.0003474000000000, 0.0001938900000000, 0.0009851800000000 ] - [ -0.0002479000000000, 0.0004293800000000, 0.0051605400000000 ] - [ 0.0000302800000000, 0.0000238000000000, 0.0007294700000000 ] - [ 0.0000565500000000, -0.0000979500000000, 0.0008929700000000 ] - [ -0.0000357500000000, -0.0000143200000000, 0.0007294700000000 ] - [ 0.0004573800000000, -0.0007922100000000, -0.0033078800000000 ] - [ -0.0003087400000000, -0.0002096900000000, 0.0003682100000000 ] - [ -0.0004263400000000, 0.0007384400000000, 0.0002309200000000 ] - [ 0.0003359600000000, 0.0001625300000000, 0.0003682100000000 ] - [ 0.0004906800000000, 0.0003852100000000, -0.0100563100000000 ] - [ -0.0004872300000000, 0.0003206700000000, -0.0002396600000000 ] - [ 0.0004838600000000, -0.0001137100000000, -0.0009306000000000 ] - [ -0.0002997600000000, -0.0008230200000000, -0.0011787200000000 ] - [ -0.0047131500000000, 0.0005582800000000, -0.0010497200000000 ] - [ 0.0011971900000000, 0.0002592200000000, -0.0006342800000000 ] - [ -0.0003294200000000, -0.0010452800000000, -0.0006535600000000 ] - [ -0.0005022700000000, 0.0002664500000000, -0.0004653300000000 ] - [ 0.0009938000000000, 0.0004929600000000, 0.0019247000000000 ] - [ -0.0004195500000000, -0.0003321200000000, 0.0003878800000000 ] - [ 0.0000730900000000, -0.0000226200000000, 0.0003087500000000 ] - [ -0.0002682800000000, -0.0004929500000000, 0.0002438300000000 ] - [ 0.0005610400000000, -0.0000141400000000, 0.0002438300000000 ] - [ -0.0009238200000000, -0.0006141800000000, 0.0019247000000000 ] - [ 0.0004974000000000, 0.0001972800000000, 0.0003878800000000 ] - [ -0.0000169500000000, -0.0000746100000000, 0.0003087500000000 ] - [ 0.0008626400000000, -0.0001519100000000, -0.0011787200000000 ] - [ -0.0005789400000000, -0.0002323300000000, -0.0100563100000000 ] - [ -0.0000340900000000, 0.0005822800000000, -0.0002396600000000 ] - [ -0.0001434500000000, -0.0004758900000000, -0.0009306000000000 ] - [ -0.0003416200000000, -0.0002039100000000, 0.0009851800000000 ] - [ 0.0006939700000000, -0.0001438600000000, 0.0016029000000000 ] - [ -0.0000064100000000, -0.0000575000000000, 0.0004626100000000 ] - [ -0.0000869300000000, 0.0004067700000000, 0.0009500400000000 ] - [ -0.0008230900000000, -0.0009071900000000, -0.0006342800000000 ] - [ 0.0010699500000000, -0.0002373600000000, -0.0006535600000000 ] - [ 0.0000203800000000, 0.0005682000000000, -0.0004653300000000 ] - [ 0.0018730800000000, 0.0043608500000000, -0.0010497200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000984500000000, 0.0001651900000000, 0.0003960600000000 ] - [ 0.0002268000000000, 0.0000140900000000, -0.0001066000000000 ] - [ 0.0000601300000000, -0.0001451200000000, -0.0001929600000000 ] - [ -0.0000736700000000, 0.0001464500000000, 0.0000622700000000 ] - [ -0.0505365300000000, -0.0027436800000000, -0.0123216200000000 ] - [ 0.0008562000000000, -0.0000165500000000, 0.0000776500000000 ] - [ 0.0004650000000000, -0.0007673100000000, 0.0000713300000000 ] - [ 0.0001211500000000, 0.0004144300000000, -0.0001142400000000 ] - [ -0.0002382200000000, 0.0000974700000000, 0.0000879800000000 ] - [ 0.0001772800000000, -0.0000032700000000, -0.0000420300000000 ] - [ 0.0000425800000000, -0.0000622000000000, -0.0000426200000000 ] - [ -0.0000971100000000, 0.0001596200000000, 0.0000230400000000 ] - [ -0.0029999600000000, -0.0072967300000000, 0.0076339700000000 ] - [ 0.0007027800000000, 0.0001543800000000, -0.0000840300000000 ] - [ 0.0004171200000000, -0.0007178800000000, -0.0005667400000000 ] - [ 0.0003283400000000, 0.0005180400000000, 0.0000137500000000 ] - [ -0.0003123600000000, 0.0001087000000000, -0.0014757700000000 ] - [ 0.0004315000000000, -0.0001383400000000, 0.0002386600000000 ] - [ 0.0001724400000000, -0.0000555900000000, -0.0001445900000000 ] - [ -0.0001290200000000, 0.0003320000000000, 0.0002313800000000 ] - [ -0.0002692600000000, 0.0012727600000000, 0.0025022600000000 ] - [ 0.0006200200000000, -0.0001555900000000, -0.0002040500000000 ] - [ 0.0002837400000000, -0.0004926400000000, -0.0000140800000000 ] - [ -0.0005519600000000, 0.0003183100000000, -0.0001029600000000 ] - [ 0.0001445200000000, -0.0000319900000000, 0.0003107200000000 ] - [ -0.0001145700000000, 0.0001010000000000, -0.0002672600000000 ] - [ -0.0001576700000000, 0.0000761500000000, -0.0001387100000000 ] - [ 0.0002124900000000, -0.0000630100000000, 0.0000524100000000 ] - [ 0.0010755200000000, -0.0005892500000000, 0.0000023200000000 ] - [ 0.0025585100000000, 0.0039427000000000, -0.0005386700000000 ] - [ -0.0014804800000000, 0.0016162100000000, 0.0006102100000000 ] - [ 0.0003804600000000, -0.0003475500000000, -0.0001190900000000 ] - [ 0.0002181600000000, -0.0000597000000000, 0.0000170100000000 ] - [ -0.0000987600000000, 0.0000768100000000, 0.0000976100000000 ] - [ -0.0000707800000000, 0.0000833600000000, -0.0000915200000000 ] - [ 0.0001537700000000, -0.0001036000000000, -0.0000015300000000 ] - [ 0.0061695000000000, -0.0019352600000000, -0.0068151100000000 ] - [ 0.0020659900000000, 0.0002367000000000, 0.0007294400000000 ] - [ -0.0003862400000000, -0.0001570700000000, 0.0001272700000000 ] - [ -0.0000551300000000, 0.0002581800000000, -0.0000799800000000 ] - [ 0.0004765700000000, -0.0002400700000000, -0.0000944700000000 ] - [ -0.0030521600000000, 0.0034363900000000, 0.0019615000000000 ] - [ 0.0007206000000000, 0.0010364300000000, -0.0004814800000000 ] - [ 0.0004159300000000, -0.0006065800000000, 0.0001684600000000 ] - [ -0.0000055600000000, -0.0000249100000000, -0.0001055800000000 ] - [ -0.0000364800000000, -0.0000668200000000, 0.0000994200000000 ] - [ -0.0000299400000000, -0.0000854900000000, 0.0000097300000000 ] - [ -0.0000267200000000, -0.0000079300000000, 0.0000043500000000 ] - [ 0.0005585300000000, -0.0000253800000000, 0.0002442600000000 ] - [ 0.0001921800000000, 0.0007909400000000, -0.0040733900000000 ] - [ -0.0002588500000000, 0.0000654000000000, -0.0000208100000000 ] - [ 0.0004099500000000, -0.0003711800000000, 0.0000531300000000 ] - [ 0.0003409700000000, -0.0001007800000000, -0.0004350500000000 ] - [ -0.0000619100000000, 0.0000968300000000, 0.0022453700000000 ] - [ -0.0000382600000000, 0.0003356500000000, -0.0002159400000000 ] - [ 0.0000620300000000, -0.0001505100000000, -0.0000899600000000 ] - [ 0.0052124300000000, 0.0022423400000000, -0.0000916300000000 ] - [ 0.0051333200000000, -0.0024390600000000, -0.0002442100000000 ] - [ 0.0000873800000000, 0.0001782200000000, 0.0001580700000000 ] - [ -0.0008784300000000, -0.0005357600000000, -0.0002486400000000 ] - [ 0.0000039800000000, -0.0000171300000000, 0.0002297800000000 ] - [ -0.0000618300000000, 0.0000359500000000, -0.0005192000000000 ] - [ 0.0000891200000000, 0.0000422300000000, -0.0001154500000000 ] - [ -0.0000713200000000, -0.0001420100000000, 0.0003438900000000 ] - [ -0.0000845800000000, -0.0105166800000000, 0.0110022100000000 ] - [ 0.0018209500000000, 0.0003975900000000, -0.0003782800000000 ] - [ -0.0012375100000000, -0.0039871500000000, -0.0016023500000000 ] - [ 0.0010758800000000, 0.0013055100000000, 0.0002335200000000 ] - [ -0.0015465100000000, -0.0007477800000000, -0.0003745400000000 ] - [ 0.0008246100000000, 0.0007877800000000, 0.0004258200000000 ] - [ -0.0000564000000000, -0.0005699200000000, 0.0003873200000000 ] - [ 0.0006356800000000, 0.0001510600000000, -0.0000760700000000 ] - [ 0.0084602700000000, -0.0009440600000000, -0.0005327500000000 ] - [ -0.0006736100000000, 0.0000318100000000, 0.0000291500000000 ] - [ -0.0004246400000000, 0.0009096800000000, 0.0001627400000000 ] - [ 0.0005699800000000, -0.0009288900000000, -0.0002711500000000 ] - [ 0.0008553100000000, 0.0011980000000000, -0.0009044700000000 ] - [ -0.0006774400000000, 0.0004112300000000, -0.0000570800000000 ] - [ -0.0002813900000000, 0.0005018200000000, 0.0001807600000000 ] - [ -0.0001715100000000, -0.0000839300000000, -0.0002247600000000 ] - [ 0.0132580700000000, 0.0040734200000000, -0.0026396500000000 ] - [ -0.0020954500000000, 0.0007507200000000, -0.0000845600000000 ] - [ -0.0006157800000000, 0.0007088300000000, 0.0001439700000000 ] - [ 0.0006372700000000, -0.0019569200000000, 0.0001936500000000 ] - [ 0.0024983000000000, 0.0071942200000000, -0.0000852200000000 ] - [ -0.0013717600000000, -0.0006616100000000, 0.0005596500000000 ] - [ 0.0002511000000000, 0.0025280700000000, 0.0004822100000000 ] - [ -0.0007892600000000, -0.0005533500000000, 0.0004054900000000 ] - [ 0.0001097700000000, 0.0000607700000000, 0.0000692000000000 ] - [ -0.0001092500000000, -0.0000743000000000, 0.0002278600000000 ] - [ 0.0000726400000000, 0.0001056300000000, 0.0004082300000000 ] - [ -0.0001002200000000, -0.0000567000000000, 0.0003490500000000 ] - [ 0.0002720000000000, -0.0002219500000000, -0.0001372100000000 ] - [ -0.0003884600000000, 0.0000986600000000, 0.0002732000000000 ] - [ -0.0002309500000000, 0.0002013200000000, 0.0000326200000000 ] - [ 0.0002726500000000, -0.0001917100000000, -0.0000120200000000 ] - [ -0.0016509700000000, 0.0004973400000000, -0.0010256600000000 ] - [ -0.0015544100000000, -0.0011009600000000, 0.0009907900000000 ] - [ 0.0017427200000000, -0.0003292800000000, -0.0001425200000000 ] - [ -0.0013621900000000, 0.0002812800000000, -0.0002533700000000 ] - [ -0.0000041600000000, 0.0005976400000000, 0.0012936600000000 ] - [ -0.0012204400000000, -0.0009068500000000, -0.0013378000000000 ] - [ 0.0000065100000000, -0.0000731300000000, -0.0000463900000000 ] - [ -0.0003021100000000, -0.0006768100000000, -0.0002355900000000 ] - [ -0.0003500000000000, 0.0001002300000000, 0.0001214300000000 ] - [ 0.0021005600000000, -0.0006687500000000, -0.0012546600000000 ] - [ -0.0001165000000000, -0.0004791200000000, 0.0006163200000000 ] - [ 0.0002126200000000, 0.0002375900000000, -0.0003523600000000 ] - [ -0.0003705100000000, 0.0000429800000000, -0.0000736900000000 ] - [ 0.0005193300000000, -0.0002191600000000, 0.0001025500000000 ] - [ 0.0001552300000000, -0.0001496900000000, 0.0001552600000000 ] - [ -0.0002101200000000, 0.0002286100000000, 0.0000176700000000 ] - [ -0.0024720600000000, 0.0003146300000000, 0.0006193000000000 ] - [ 0.0157486400000000, 0.0011708800000000, 0.0038816500000000 ] - [ 0.0001021700000000, -0.0012466300000000, -0.0000238600000000 ] - [ -0.0002250200000000, 0.0010326100000000, 0.0003230800000000 ] - [ -0.0013283400000000, -0.0009884300000000, -0.0010664400000000 ] - [ -0.0007188900000000, 0.0028954100000000, 0.0017071600000000 ] - [ -0.0002346400000000, -0.0001241700000000, -0.0000213200000000 ] - [ 0.0013774500000000, 0.0019856400000000, -0.0007850600000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000805400000000, -0.0000703600000000, -0.0004548500000000 ] - [ -0.0002456000000000, 0.0000816600000000, 0.0000533500000000 ] - [ -0.0000774300000000, 0.0002427000000000, 0.0001460500000000 ] - [ 0.0000582200000000, -0.0000555800000000, -0.0001120900000000 ] - [ 0.0511719500000000, 0.0026524200000000, 0.0132464700000000 ] - [ -0.0008134000000000, -0.0000540600000000, -0.0001416400000000 ] - [ -0.0004245900000000, 0.0006969900000000, -0.0001350700000000 ] - [ -0.0000819200000000, -0.0004880100000000, 0.0000446000000000 ] - [ 0.0001903400000000, -0.0000283100000000, -0.0001598300000000 ] - [ -0.0002226500000000, 0.0000737600000000, -0.0000275800000000 ] - [ -0.0000861200000000, 0.0001301100000000, -0.0000254300000000 ] - [ 0.0000518300000000, -0.0000931600000000, -0.0000948300000000 ] - [ 0.0031004300000000, 0.0071752200000000, -0.0076691400000000 ] - [ -0.0006879200000000, -0.0002484900000000, 0.0000263700000000 ] - [ -0.0004070800000000, 0.0006286200000000, 0.0005147000000000 ] - [ -0.0003157700000000, -0.0006150700000000, -0.0000699000000000 ] - [ 0.0003426800000000, -0.0000700200000000, 0.0014315100000000 ] - [ -0.0004013000000000, 0.0001750800000000, -0.0002928900000000 ] - [ -0.0001415500000000, 0.0000917300000000, 0.0000944500000000 ] - [ 0.0001598900000000, -0.0002949600000000, -0.0002829100000000 ] - [ 0.0002330300000000, -0.0013182000000000, -0.0025475600000000 ] - [ -0.0006407000000000, 0.0001055200000000, 0.0001544100000000 ] - [ -0.0003014900000000, 0.0004493000000000, -0.0000331300000000 ] - [ 0.0005381300000000, -0.0003662700000000, 0.0000535500000000 ] - [ -0.0000490400000000, 0.0000655400000000, -0.0003674200000000 ] - [ 0.0002084000000000, -0.0000655500000000, 0.0002207500000000 ] - [ 0.0002484200000000, -0.0000395600000000, 0.0000863000000000 ] - [ -0.0001273500000000, 0.0001002900000000, -0.0001010000000000 ] - [ -0.0011581400000000, 0.0005867900000000, -0.0000729800000000 ] - [ -0.0026607900000000, -0.0039630200000000, 0.0004442400000000 ] - [ 0.0013943700000000, -0.0016303500000000, -0.0006858600000000 ] - [ -0.0004644600000000, 0.0003558900000000, 0.0000511500000000 ] - [ -0.0001343400000000, 0.0000561200000000, -0.0000941400000000 ] - [ 0.0001786500000000, -0.0000779600000000, -0.0001681800000000 ] - [ 0.0001521900000000, -0.0000827200000000, 0.0000214300000000 ] - [ -0.0000697200000000, 0.0001032900000000, -0.0000651100000000 ] - [ -0.0060726000000000, 0.0019740200000000, 0.0066419000000000 ] - [ -0.0020322800000000, -0.0001875400000000, -0.0008017500000000 ] - [ 0.0004254600000000, 0.0002180900000000, -0.0001868900000000 ] - [ 0.0000952800000000, -0.0001981500000000, 0.0000184100000000 ] - [ -0.0005691000000000, 0.0002067000000000, 0.0000383500000000 ] - [ 0.0029854700000000, -0.0034274200000000, -0.0019938400000000 ] - [ -0.0008156300000000, -0.0010650900000000, 0.0004195900000000 ] - [ -0.0005030200000000, 0.0005767900000000, -0.0002251500000000 ] - [ -0.0000401800000000, -0.0000561600000000, 0.0000556900000000 ] - [ -0.0000065400000000, -0.0000167100000000, -0.0001475400000000 ] - [ -0.0000132100000000, 0.0000036000000000, -0.0000620000000000 ] - [ -0.0000192800000000, -0.0000728400000000, -0.0000568600000000 ] - [ -0.0005859800000000, -0.0000164700000000, -0.0002900300000000 ] - [ -0.0002159700000000, -0.0008341500000000, 0.0040677100000000 ] - [ 0.0002315000000000, -0.0001047800000000, -0.0000239500000000 ] - [ -0.0004425300000000, 0.0003390600000000, -0.0001008500000000 ] - [ -0.0003237000000000, 0.0001466300000000, 0.0003851200000000 ] - [ 0.0000740900000000, -0.0000546500000000, -0.0022877000000000 ] - [ 0.0000551900000000, -0.0002928000000000, 0.0001709000000000 ] - [ -0.0000454400000000, 0.0001938600000000, 0.0000423600000000 ] - [ -0.0050851000000000, -0.0021114600000000, 0.0000238800000000 ] - [ -0.0051541500000000, 0.0025446000000000, 0.0001780900000000 ] - [ -0.0000366300000000, -0.0000998300000000, -0.0002060700000000 ] - [ 0.0009307000000000, 0.0006152300000000, 0.0002023400000000 ] - [ -0.0000376300000000, -0.0000411400000000, -0.0002827000000000 ] - [ 0.0000298300000000, -0.0001033300000000, 0.0004663900000000 ] - [ -0.0001206600000000, -0.0001028800000000, 0.0000593100000000 ] - [ 0.0000345100000000, 0.0000795400000000, -0.0004048000000000 ] - [ -0.0000273500000000, 0.0104884300000000, -0.0107481300000000 ] - [ -0.0018396400000000, -0.0003998900000000, 0.0005929800000000 ] - [ 0.0012660700000000, 0.0040083500000000, 0.0018163600000000 ] - [ -0.0010760200000000, -0.0012926900000000, -0.0000245800000000 ] - [ 0.0015411100000000, 0.0007471900000000, 0.0005996700000000 ] - [ -0.0008155300000000, -0.0007805500000000, -0.0002073500000000 ] - [ 0.0000569100000000, 0.0005710300000000, -0.0001734000000000 ] - [ -0.0006400000000000, -0.0001487500000000, 0.0002897100000000 ] - [ -0.0080579700000000, 0.0003438700000000, 0.0002796800000000 ] - [ 0.0010730500000000, -0.0006369600000000, -0.0002483400000000 ] - [ 0.0008184600000000, -0.0015073400000000, -0.0003826900000000 ] - [ -0.0001777500000000, 0.0003341700000000, 0.0000495100000000 ] - [ -0.0012434200000000, -0.0006043800000000, 0.0006837900000000 ] - [ 0.0002859500000000, 0.0001797300000000, -0.0001602900000000 ] - [ -0.0001115000000000, 0.0000966500000000, -0.0004037400000000 ] - [ -0.0002235600000000, 0.0006809600000000, 0.0000119300000000 ] - [ -0.0129687500000000, -0.0037266100000000, 0.0025096300000000 ] - [ 0.0021167500000000, -0.0007163000000000, 0.0002263700000000 ] - [ 0.0006380300000000, -0.0006823800000000, -0.0000097800000000 ] - [ -0.0006272700000000, 0.0019867300000000, -0.0000523900000000 ] - [ -0.0023820600000000, -0.0072188600000000, 0.0006997000000000 ] - [ 0.0013730300000000, 0.0006614900000000, 0.0000932900000000 ] - [ -0.0002534000000000, -0.0025384300000000, 0.0001633200000000 ] - [ 0.0007938000000000, 0.0005589400000000, 0.0002344400000000 ] - [ -0.0001089900000000, -0.0000673900000000, 0.0005847700000000 ] - [ 0.0001053000000000, 0.0000739800000000, 0.0004146000000000 ] - [ -0.0000777500000000, -0.0001115700000000, 0.0002283200000000 ] - [ 0.0001022800000000, 0.0000527500000000, 0.0002960700000000 ] - [ -0.0002942900000000, 0.0001946900000000, 0.0002676200000000 ] - [ 0.0003808500000000, -0.0001248900000000, -0.0001361900000000 ] - [ 0.0002162200000000, -0.0002225600000000, 0.0001053400000000 ] - [ -0.0002790100000000, 0.0001666600000000, 0.0001437200000000 ] - [ 0.0009597700000000, -0.0004477900000000, 0.0008053100000000 ] - [ 0.0008544900000000, 0.0011572100000000, -0.0012259800000000 ] - [ -0.0024594600000000, 0.0003807700000000, -0.0000713600000000 ] - [ 0.0006505100000000, -0.0002360100000000, 0.0000293800000000 ] - [ -0.0003718000000000, -0.0012441200000000, -0.0015189100000000 ] - [ 0.0008376500000000, 0.0002579300000000, 0.0010860100000000 ] - [ -0.0003804300000000, -0.0005677100000000, -0.0001870300000000 ] - [ -0.0000688600000000, 0.0000319500000000, 0.0000034900000000 ] - [ 0.0010523600000000, -0.0001475500000000, -0.0003362200000000 ] - [ -0.0013759700000000, 0.0006216100000000, 0.0010324600000000 ] - [ 0.0008324100000000, 0.0004333800000000, -0.0008297900000000 ] - [ 0.0004968600000000, -0.0002815800000000, 0.0001326900000000 ] - [ 0.0003624100000000, -0.0000724500000000, 0.0002127300000000 ] - [ -0.0005396400000000, 0.0002074000000000, 0.0000340800000000 ] - [ -0.0001779000000000, 0.0001276200000000, -0.0000300300000000 ] - [ 0.0001961700000000, -0.0002529300000000, 0.0001186200000000 ] - [ 0.0024600600000000, -0.0003010800000000, -0.0004824200000000 ] - [ -0.0167660200000000, -0.0013760700000000, -0.0043614100000000 ] - [ -0.0000885200000000, 0.0012763000000000, 0.0001585500000000 ] - [ 0.0002328400000000, -0.0010174300000000, -0.0001855200000000 ] - [ 0.0016849800000000, 0.0016206000000000, 0.0008219800000000 ] - [ 0.0010999600000000, -0.0022852000000000, -0.0019641200000000 ] - [ 0.0006120800000000, 0.0007760800000000, -0.0002225300000000 ] - [ -0.0010075600000000, -0.0013491700000000, 0.0005483700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000231200000000, -0.0000400400000000, 0.0017535300000000 ] - [ 0.0000308300000000, -0.0000008900000000, 0.0000362600000000 ] - [ 0.0000286600000000, -0.0000496400000000, 0.0002029900000000 ] - [ -0.0000146400000000, -0.0000271500000000, 0.0000362600000000 ] - [ -0.0128160700000000, 0.0221980900000000, -0.0609229200000000 ] - [ 0.0001253800000000, -0.0000036800000000, -0.0003328500000000 ] - [ 0.0001142900000000, -0.0001979500000000, -0.0003290700000000 ] - [ -0.0000595100000000, -0.0001104200000000, -0.0003328500000000 ] - [ -0.0001324800000000, 0.0002294600000000, 0.0006346200000000 ] - [ -0.0000071800000000, 0.0000879900000000, 0.0001585800000000 ] - [ -0.0000062900000000, 0.0000109000000000, 0.0002005400000000 ] - [ -0.0000726100000000, 0.0000502100000000, 0.0001585800000000 ] - [ 0.0072388400000000, -0.0125380300000000, 0.0085479000000000 ] - [ -0.0001111400000000, -0.0001017100000000, 0.0000041000000000 ] - [ 0.0000932600000000, -0.0001615200000000, -0.0002772700000000 ] - [ 0.0001436500000000, 0.0000453900000000, 0.0000041000000000 ] - [ -0.0006804000000000, -0.0006948100000000, 0.0019030900000000 ] - [ 0.0001348700000000, -0.0000312900000000, 0.0001399300000000 ] - [ 0.0000175300000000, -0.0000183100000000, -0.0000563000000000 ] - [ 0.0000424000000000, 0.0002358100000000, 0.0001230200000000 ] - [ 0.0022829400000000, 0.0027317500000000, 0.0029013400000000 ] - [ -0.0002559900000000, -0.0000717600000000, -0.0000698700000000 ] - [ 0.0003686600000000, -0.0003160900000000, 0.0000984800000000 ] - [ -0.0006102200000000, -0.0003254400000000, 0.0000197100000000 ] - [ 0.0002650100000000, -0.0001472000000000, 0.0006870100000000 ] - [ -0.0002477900000000, -0.0001381100000000, 0.0001427300000000 ] - [ -0.0000671800000000, 0.0002561300000000, 0.0003745800000000 ] - [ -0.0000333300000000, -0.0000248200000000, 0.0000541500000000 ] - [ 0.0001537500000000, 0.0001524200000000, -0.0006657000000000 ] - [ -0.0004547500000000, 0.0005023900000000, -0.0017886700000000 ] - [ 0.0005235500000000, -0.0002643900000000, -0.0017865600000000 ] - [ -0.0001250300000000, -0.0001560100000000, -0.0002890700000000 ] - [ 0.0000945600000000, -0.0000022400000000, 0.0001915600000000 ] - [ 0.0000898500000000, -0.0001209700000000, 0.0004857200000000 ] - [ 0.0000969200000000, 0.0001062400000000, 0.0002860000000000 ] - [ 0.0001078700000000, -0.0000157100000000, 0.0001898800000000 ] - [ -0.0067400500000000, 0.0022356000000000, 0.0024720300000000 ] - [ 0.0009537200000000, 0.0001399100000000, 0.0004596600000000 ] - [ 0.0002599800000000, -0.0001986700000000, -0.0001155200000000 ] - [ -0.0000968800000000, 0.0000485800000000, -0.0000457700000000 ] - [ 0.0000063700000000, 0.0001081800000000, -0.0000457700000000 ] - [ 0.0014339400000000, 0.0069548600000000, 0.0024720300000000 ] - [ -0.0005980300000000, -0.0007559900000000, 0.0004596600000000 ] - [ 0.0000420600000000, -0.0003244800000000, -0.0001155200000000 ] - [ 0.0000598300000000, -0.0001383000000000, 0.0004857200000000 ] - [ -0.0001404700000000, -0.0000308200000000, 0.0002860000000000 ] - [ -0.0000403300000000, -0.0001012700000000, 0.0001898800000000 ] - [ -0.0000453400000000, -0.0000830100000000, 0.0001915600000000 ] - [ 0.0005869500000000, 0.0003657500000000, 0.0000197100000000 ] - [ -0.0035072400000000, -0.0006112100000000, 0.0029013400000000 ] - [ 0.0001901500000000, 0.0001858100000000, -0.0000698700000000 ] - [ 0.0000894100000000, -0.0004773200000000, 0.0000984800000000 ] - [ -0.0002254200000000, 0.0000811900000000, 0.0001230200000000 ] - [ 0.0009419300000000, 0.0002418300000000, 0.0019030900000000 ] - [ -0.0000403400000000, -0.0001324500000000, 0.0001399300000000 ] - [ 0.0000071000000000, -0.0000243300000000, -0.0000563000000000 ] - [ -0.0002077100000000, 0.0006450200000000, -0.0017886700000000 ] - [ -0.0000328100000000, -0.0005856000000000, -0.0017865600000000 ] - [ 0.0001976200000000, 0.0000302700000000, -0.0002890700000000 ] - [ -0.0002088800000000, -0.0000569400000000, -0.0006657000000000 ] - [ 0.0002435000000000, 0.0001455400000000, 0.0001427300000000 ] - [ -0.0001882200000000, 0.0001862500000000, 0.0003745800000000 ] - [ 0.0000381600000000, 0.0000164500000000, 0.0000541500000000 ] - [ -0.0000050300000000, -0.0003031100000000, 0.0006870100000000 ] - [ 0.0117263200000000, -0.0203105900000000, -0.0019751500000000 ] - [ -0.0003085000000000, 0.0001733300000000, -0.0012719500000000 ] - [ -0.0014161100000000, 0.0024527700000000, -0.0019756700000000 ] - [ 0.0000041400000000, 0.0003538300000000, -0.0012719500000000 ] - [ -0.0006015300000000, 0.0010418900000000, 0.0017045600000000 ] - [ 0.0002713100000000, 0.0002685500000000, 0.0007528800000000 ] - [ 0.0006950000000000, -0.0012037800000000, 0.0011447000000000 ] - [ -0.0003682200000000, -0.0001006800000000, 0.0007528800000000 ] - [ -0.0017665200000000, 0.0030597100000000, 0.0153019800000000 ] - [ 0.0000423300000000, -0.0003691100000000, 0.0000888800000000 ] - [ 0.0002018800000000, -0.0003496700000000, -0.0000428500000000 ] - [ 0.0002984900000000, -0.0002212200000000, 0.0000888800000000 ] - [ -0.0009937900000000, 0.0017212900000000, -0.0023386100000000 ] - [ -0.0001664100000000, 0.0003687200000000, -0.0003594600000000 ] - [ -0.0000429900000000, 0.0000744600000000, -0.0000814100000000 ] - [ -0.0002361200000000, 0.0003284700000000, -0.0003594600000000 ] - [ -0.0011498800000000, -0.0023998100000000, 0.0110588100000000 ] - [ -0.0006958100000000, 0.0005482500000000, 0.0003285300000000 ] - [ -0.0002527000000000, 0.0000695600000000, 0.0004228700000000 ] - [ 0.0001566100000000, -0.0009400400000000, 0.0006030500000000 ] - [ 0.0012625600000000, -0.0021868200000000, 0.0119997300000000 ] - [ -0.0007237300000000, -0.0004308900000000, 0.0014211400000000 ] - [ -0.0006589100000000, 0.0011412700000000, 0.0027649600000000 ] - [ 0.0007350200000000, 0.0004113300000000, 0.0014211400000000 ] - [ -0.0001218000000000, 0.0002109700000000, -0.0016692200000000 ] - [ 0.0000560900000000, 0.0000173200000000, -0.0002292800000000 ] - [ 0.0000303900000000, -0.0000526400000000, -0.0007471800000000 ] - [ -0.0000430500000000, -0.0000399200000000, -0.0002292800000000 ] - [ -0.0003017900000000, -0.0006141500000000, -0.0013593200000000 ] - [ 0.0001386900000000, -0.0000329400000000, -0.0002680100000000 ] - [ -0.0001574500000000, 0.0001394700000000, -0.0003911400000000 ] - [ 0.0002265800000000, 0.0001761200000000, -0.0004608900000000 ] - [ -0.0032904300000000, 0.0003891400000000, -0.0004557300000000 ] - [ 0.0012349100000000, 0.0003774000000000, 0.0004131700000000 ] - [ 0.0001219100000000, -0.0019199700000000, -0.0000776000000000 ] - [ -0.0001764000000000, 0.0001772900000000, 0.0000452300000000 ] - [ 0.0000991500000000, -0.0011596100000000, -0.0014815600000000 ] - [ -0.0006678300000000, -0.0006488900000000, -0.0008281800000000 ] - [ -0.0001116400000000, 0.0000041400000000, -0.0002235000000000 ] - [ -0.0001246600000000, -0.0003368400000000, -0.0002535600000000 ] - [ 0.0003540400000000, -0.0000604700000000, -0.0002535600000000 ] - [ 0.0009546800000000, -0.0006656700000000, -0.0014815600000000 ] - [ 0.0008958700000000, 0.0002539200000000, -0.0008281800000000 ] - [ 0.0000522400000000, 0.0000987500000000, -0.0002235000000000 ] - [ -0.0002658100000000, -0.0001081600000000, -0.0004608900000000 ] - [ 0.0006827600000000, -0.0000457200000000, -0.0013593200000000 ] - [ -0.0000408100000000, -0.0001365800000000, -0.0002680100000000 ] - [ -0.0000420600000000, 0.0002060900000000, -0.0003911400000000 ] - [ 0.0007358000000000, -0.0006056500000000, 0.0006030500000000 ] - [ 0.0026532400000000, -0.0002040800000000, 0.0110588100000000 ] - [ -0.0001268900000000, 0.0008767100000000, 0.0003285300000000 ] - [ 0.0000661100000000, 0.0002536200000000, 0.0004228700000000 ] - [ -0.0009442900000000, -0.0008807600000000, 0.0004131700000000 ] - [ 0.0016017900000000, -0.0010655600000000, -0.0000776000000000 ] - [ -0.0000653400000000, 0.0002414100000000, 0.0000452300000000 ] - [ 0.0013082100000000, 0.0030441600000000, -0.0004557300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000608800000000, 0.0001054500000000, -0.0018266300000000 ] - [ -0.0000726900000000, 0.0000752000000000, -0.0001059800000000 ] - [ -0.0000683900000000, 0.0001184600000000, -0.0002662500000000 ] - [ -0.0000287800000000, 0.0001005600000000, -0.0001059800000000 ] - [ 0.0127663300000000, -0.0221119300000000, 0.0599560200000000 ] - [ -0.0000773800000000, -0.0000767200000000, 0.0002680700000000 ] - [ -0.0000661600000000, 0.0001145900000000, 0.0002639300000000 ] - [ 0.0001051300000000, 0.0000286500000000, 0.0002680700000000 ] - [ 0.0000853700000000, -0.0001478700000000, -0.0006968500000000 ] - [ -0.0000398000000000, -0.0000043100000000, -0.0002182900000000 ] - [ -0.0000402000000000, 0.0000696300000000, -0.0002420000000000 ] - [ 0.0000236400000000, 0.0000323100000000, -0.0002182900000000 ] - [ -0.0072959400000000, 0.0126369400000000, -0.0086267000000000 ] - [ 0.0001511000000000, 0.0000300500000000, -0.0000708000000000 ] - [ -0.0000521000000000, 0.0000902500000000, 0.0002104100000000 ] - [ -0.0001015800000000, -0.0001158300000000, -0.0000708000000000 ] - [ 0.0006824400000000, 0.0007301000000000, -0.0019654800000000 ] - [ -0.0001416600000000, 0.0000554400000000, -0.0001928800000000 ] - [ -0.0000256300000000, 0.0000384400000000, 0.0000054300000000 ] - [ -0.0000525900000000, -0.0002145100000000, -0.0001739900000000 ] - [ -0.0022453700000000, -0.0027344100000000, -0.0029210300000000 ] - [ 0.0002662800000000, 0.0000543700000000, 0.0000164000000000 ] - [ -0.0003512900000000, 0.0003047700000000, -0.0001538800000000 ] - [ 0.0006298600000000, 0.0003032800000000, -0.0000720000000000 ] - [ -0.0001883700000000, 0.0001637000000000, -0.0007615900000000 ] - [ 0.0003240100000000, 0.0001539700000000, -0.0002132500000000 ] - [ 0.0001409300000000, -0.0002370700000000, -0.0004418300000000 ] - [ 0.0001077200000000, 0.0000413700000000, -0.0001267300000000 ] - [ -0.0002534700000000, -0.0001500600000000, 0.0006143500000000 ] - [ 0.0003728700000000, -0.0004834900000000, 0.0017401600000000 ] - [ -0.0006241900000000, 0.0002423700000000, 0.0017370900000000 ] - [ 0.0000205700000000, 0.0001584400000000, 0.0002360300000000 ] - [ 0.0000033800000000, 0.0000012200000000, -0.0002309200000000 ] - [ 0.0000170900000000, 0.0001180500000000, -0.0005382800000000 ] - [ 0.0000011500000000, -0.0001063300000000, -0.0003316800000000 ] - [ -0.0000102800000000, 0.0000119400000000, -0.0002321800000000 ] - [ 0.0068665200000000, -0.0021879800000000, -0.0025253600000000 ] - [ -0.0009008000000000, -0.0000829100000000, -0.0005264600000000 ] - [ -0.0002049300000000, 0.0002567200000000, 0.0000430800000000 ] - [ 0.0001465100000000, 0.0000070000000000, -0.0000215900000000 ] - [ -0.0000793200000000, -0.0001233800000000, -0.0000215900000000 ] - [ -0.0015384100000000, -0.0070405700000000, -0.0025253600000000 ] - [ 0.0005222000000000, 0.0007386600000000, -0.0005264600000000 ] - [ -0.0001198600000000, 0.0003058300000000, 0.0000430800000000 ] - [ -0.0001107800000000, 0.0000442300000000, -0.0005382800000000 ] - [ 0.0000915100000000, -0.0000541600000000, -0.0003316800000000 ] - [ -0.0000052000000000, 0.0000148700000000, -0.0002321800000000 ] - [ -0.0000027500000000, -0.0000023100000000, -0.0002309200000000 ] - [ -0.0005775800000000, -0.0003938400000000, -0.0000720000000000 ] - [ 0.0034907500000000, 0.0005773400000000, -0.0029210300000000 ] - [ -0.0001802300000000, -0.0002034200000000, 0.0000164000000000 ] - [ -0.0000883000000000, 0.0004566100000000, -0.0001538800000000 ] - [ 0.0002120700000000, -0.0000617100000000, -0.0001739900000000 ] - [ -0.0009735000000000, -0.0002259600000000, -0.0019654800000000 ] - [ 0.0000228200000000, 0.0001504000000000, -0.0001928800000000 ] - [ -0.0000204800000000, 0.0000414100000000, 0.0000054300000000 ] - [ 0.0002322800000000, -0.0005646700000000, 0.0017401600000000 ] - [ 0.0001022000000000, 0.0006617500000000, 0.0017370900000000 ] - [ -0.0001475000000000, 0.0000614100000000, 0.0002360300000000 ] - [ 0.0002566900000000, 0.0001444800000000, 0.0006143500000000 ] - [ -0.0002953500000000, -0.0002036100000000, -0.0002132500000000 ] - [ 0.0001348400000000, -0.0002405800000000, -0.0004418300000000 ] - [ -0.0000896900000000, -0.0000726000000000, -0.0001267300000000 ] - [ -0.0000475800000000, 0.0002449800000000, -0.0007615900000000 ] - [ -0.0116667000000000, 0.0202073200000000, 0.0021689100000000 ] - [ 0.0002930000000000, -0.0001782600000000, 0.0014744400000000 ] - [ 0.0014131900000000, -0.0024477100000000, 0.0021567900000000 ] - [ 0.0000078800000000, -0.0003428700000000, 0.0014744400000000 ] - [ 0.0006086500000000, -0.0010542100000000, -0.0014948900000000 ] - [ -0.0002707800000000, -0.0002707000000000, -0.0005314000000000 ] - [ -0.0007002700000000, 0.0012129000000000, -0.0009387900000000 ] - [ 0.0003698200000000, 0.0000991500000000, -0.0005314000000000 ] - [ 0.0023116500000000, -0.0040039000000000, -0.0142487700000000 ] - [ 0.0003295300000000, -0.0002781700000000, -0.0003035500000000 ] - [ 0.0001774300000000, -0.0003073200000000, -0.0001783300000000 ] - [ 0.0000761400000000, -0.0004244700000000, -0.0003035500000000 ] - [ 0.0006277400000000, -0.0010872900000000, 0.0021275300000000 ] - [ -0.0002082900000000, 0.0002800700000000, 0.0001426900000000 ] - [ -0.0003400800000000, 0.0005890300000000, -0.0001454600000000 ] - [ -0.0001384000000000, 0.0003204200000000, 0.0001426900000000 ] - [ 0.0013541700000000, 0.0026470700000000, -0.0110837900000000 ] - [ 0.0006926900000000, -0.0005375400000000, -0.0002091000000000 ] - [ 0.0002356200000000, -0.0000546900000000, -0.0003042500000000 ] - [ -0.0001645600000000, 0.0009565400000000, -0.0004771800000000 ] - [ -0.0012504400000000, 0.0021658200000000, -0.0113599500000000 ] - [ 0.0007209800000000, 0.0004313900000000, -0.0007480600000000 ] - [ 0.0006505600000000, -0.0011268000000000, -0.0020854000000000 ] - [ -0.0007340800000000, -0.0004086900000000, -0.0007480600000000 ] - [ 0.0001231100000000, -0.0002132400000000, 0.0023543300000000 ] - [ -0.0000541800000000, -0.0000185200000000, 0.0008887400000000 ] - [ -0.0000286100000000, 0.0000495600000000, 0.0014213500000000 ] - [ 0.0000431300000000, 0.0000376600000000, 0.0008887400000000 ] - [ 0.0002999000000000, 0.0006013900000000, 0.0014772700000000 ] - [ -0.0001254300000000, 0.0000222600000000, 0.0003982000000000 ] - [ 0.0001586200000000, -0.0001476400000000, 0.0005263100000000 ] - [ -0.0002140900000000, -0.0001932000000000, 0.0005849100000000 ] - [ 0.0025291500000000, -0.0003670600000000, 0.0002317300000000 ] - [ -0.0019748100000000, -0.0003503700000000, -0.0006364700000000 ] - [ -0.0008917000000000, 0.0019255000000000, -0.0001502600000000 ] - [ -0.0005902300000000, -0.0001537400000000, -0.0002659500000000 ] - [ -0.0004790100000000, 0.0004706000000000, 0.0012614000000000 ] - [ 0.0003048600000000, -0.0000200700000000, 0.0005935900000000 ] - [ -0.0002517000000000, -0.0006775200000000, -0.0000047000000000 ] - [ -0.0002350900000000, -0.0003312900000000, 0.0000244200000000 ] - [ 0.0004044600000000, 0.0000379500000000, 0.0000244200000000 ] - [ -0.0001680500000000, 0.0006501400000000, 0.0012614000000000 ] - [ -0.0001350500000000, -0.0002740600000000, 0.0005935900000000 ] - [ 0.0007126000000000, -0.0001207900000000, -0.0000047000000000 ] - [ 0.0002743600000000, 0.0000888000000000, 0.0005849100000000 ] - [ -0.0006707700000000, 0.0000409700000000, 0.0014772700000000 ] - [ 0.0000434400000000, 0.0001197500000000, 0.0003982000000000 ] - [ 0.0000485500000000, -0.0002111900000000, 0.0005263100000000 ] - [ -0.0007461100000000, 0.0006207800000000, -0.0004771800000000 ] - [ -0.0029695200000000, 0.0001507900000000, -0.0110837900000000 ] - [ 0.0001191800000000, -0.0008686500000000, -0.0002091000000000 ] - [ -0.0000704500000000, -0.0002313900000000, -0.0003042500000000 ] - [ 0.0012908400000000, 0.0015350500000000, -0.0006364700000000 ] - [ -0.0012216800000000, 0.0017349900000000, -0.0001502600000000 ] - [ 0.0004282600000000, 0.0004342800000000, -0.0002659500000000 ] - [ -0.0009466900000000, -0.0023738400000000, 0.0002317300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004386100000000, 0.0003517800000000, 0.0000115500000000 ] - [ 0.0002462900000000, 0.0000431700000000, -0.0000834000000000 ] - [ 0.0003531200000000, -0.0005055500000000, 0.0003185400000000 ] - [ -0.0002408100000000, 0.0003825300000000, -0.0003116000000000 ] - [ -0.0002983900000000, 0.0001961300000000, -0.0007252600000000 ] - [ 0.0004397900000000, 0.0000200100000000, 0.0001041600000000 ] - [ 0.0001724200000000, -0.0002560000000000, -0.0000249900000000 ] - [ -0.0001278500000000, 0.0001199600000000, 0.0000079000000000 ] - [ 0.0001891600000000, 0.0010506400000000, 0.0034328200000000 ] - [ 0.0005573700000000, -0.0002744100000000, -0.0006229000000000 ] - [ 0.0004036400000000, -0.0005212700000000, -0.0001263600000000 ] - [ -0.0002617000000000, 0.0003935100000000, -0.0002300600000000 ] - [ 0.0072219400000000, -0.0004522100000000, -0.0090871500000000 ] - [ 0.0010640600000000, 0.0000499800000000, 0.0008356500000000 ] - [ 0.0000860800000000, -0.0003253000000000, 0.0002323900000000 ] - [ -0.0000861600000000, 0.0000604000000000, 0.0000414800000000 ] - [ -0.0555310400000000, -0.0001152100000000, 0.0002202400000000 ] - [ 0.0014768900000000, 0.0004619000000000, 0.0000121400000000 ] - [ 0.0005936800000000, -0.0009305600000000, -0.0001964700000000 ] - [ -0.0001674900000000, 0.0005278500000000, 0.0001559000000000 ] - [ -0.0001641900000000, 0.0000752300000000, -0.0000052900000000 ] - [ 0.0002488700000000, -0.0000581000000000, 0.0000038000000000 ] - [ -0.0000223100000000, -0.0002089000000000, 0.0000238300000000 ] - [ -0.0000210800000000, 0.0000993800000000, -0.0000519100000000 ] - [ 0.0002240500000000, -0.0002291000000000, -0.0001962400000000 ] - [ 0.0001100100000000, 0.0002808200000000, -0.0000271500000000 ] - [ -0.0007089300000000, -0.0000694000000000, 0.0003529800000000 ] - [ 0.0005786200000000, 0.0000102500000000, -0.0002025500000000 ] - [ -0.0001054400000000, -0.0003565000000000, 0.0001288700000000 ] - [ 0.0000152300000000, 0.0003718600000000, -0.0001522800000000 ] - [ -0.0003607600000000, -0.0000849300000000, -0.0003272800000000 ] - [ 0.0002860900000000, -0.0000148400000000, -0.0000856300000000 ] - [ 0.0002712700000000, -0.0003664100000000, -0.0001235300000000 ] - [ -0.0002405100000000, 0.0004908800000000, -0.0000761400000000 ] - [ -0.0018188400000000, 0.0003682200000000, -0.0012684700000000 ] - [ 0.0011063100000000, -0.0000155700000000, 0.0004040300000000 ] - [ -0.0012810000000000, -0.0042869700000000, 0.0040258400000000 ] - [ 0.0005371700000000, 0.0001978500000000, -0.0000462700000000 ] - [ -0.0000301400000000, -0.0006785900000000, -0.0009718400000000 ] - [ 0.0003025300000000, 0.0002383100000000, 0.0004524400000000 ] - [ 0.0001973400000000, -0.0004086600000000, -0.0000856100000000 ] - [ -0.0002709900000000, 0.0006295900000000, 0.0000452700000000 ] - [ -0.0004983600000000, 0.0050018100000000, 0.0050382700000000 ] - [ 0.0005276300000000, -0.0002236600000000, -0.0007778500000000 ] - [ -0.0002879800000000, -0.0011160700000000, -0.0022855300000000 ] - [ 0.0006210700000000, 0.0003824900000000, 0.0002271800000000 ] - [ -0.0005559900000000, -0.0006774900000000, 0.0005790300000000 ] - [ 0.0002752700000000, 0.0002416100000000, -0.0003994700000000 ] - [ 0.0000334000000000, -0.0000706100000000, -0.0000450200000000 ] - [ -0.0001082000000000, 0.0001122500000000, 0.0000529400000000 ] - [ -0.0001929000000000, -0.0000969400000000, -0.0000230900000000 ] - [ 0.0002028800000000, -0.0000123300000000, -0.0000034900000000 ] - [ 0.0022227500000000, -0.0021653900000000, -0.0000208200000000 ] - [ 0.0022013400000000, 0.0026548400000000, -0.0001613100000000 ] - [ -0.0019594200000000, 0.0002536100000000, 0.0001537200000000 ] - [ 0.0009099800000000, -0.0007099400000000, -0.0000061500000000 ] - [ -0.0000576400000000, 0.0000953700000000, 0.0009226900000000 ] - [ 0.0003520900000000, -0.0000048000000000, -0.0002514100000000 ] - [ -0.0000254400000000, -0.0000760800000000, -0.0000667300000000 ] - [ 0.0000794800000000, 0.0000512800000000, -0.0000128700000000 ] - [ -0.0002859600000000, -0.0002286300000000, -0.0004535500000000 ] - [ 0.0004453100000000, 0.0003393400000000, 0.0004193700000000 ] - [ -0.0001000000000000, -0.0000935600000000, 0.0000166100000000 ] - [ -0.0000520300000000, -0.0001980800000000, -0.0002024900000000 ] - [ -0.0002600300000000, 0.0001595100000000, 0.0001084700000000 ] - [ 0.0003117000000000, -0.0001060900000000, 0.0001247500000000 ] - [ -0.0002137300000000, -0.0001430500000000, -0.0002461400000000 ] - [ 0.0000213400000000, 0.0000505900000000, 0.0005030000000000 ] - [ -0.0039228200000000, -0.0028712500000000, -0.0006549000000000 ] - [ 0.0005497900000000, 0.0005927800000000, 0.0001215100000000 ] - [ 0.0077035400000000, -0.0103744000000000, 0.0039230200000000 ] - [ 0.0083994100000000, 0.0035174400000000, -0.0029301100000000 ] - [ 0.0005405800000000, -0.0005207600000000, -0.0000393400000000 ] - [ -0.0001588000000000, -0.0001632600000000, -0.0000792200000000 ] - [ -0.0001132800000000, 0.0001587300000000, -0.0001447800000000 ] - [ 0.0004124600000000, -0.0005139000000000, -0.0000275900000000 ] - [ 0.0132210900000000, 0.0047281900000000, 0.0001152500000000 ] - [ -0.0030209400000000, 0.0008489200000000, -0.0000065200000000 ] - [ -0.0013752600000000, 0.0020740400000000, -0.0004443700000000 ] - [ 0.0004073300000000, -0.0004312800000000, -0.0000790800000000 ] - [ 0.0093161300000000, -0.0000541700000000, 0.0000229700000000 ] - [ -0.0010875000000000, -0.0001140800000000, 0.0000995000000000 ] - [ -0.0002087100000000, 0.0007354400000000, 0.0001873800000000 ] - [ 0.0000838300000000, -0.0004502000000000, -0.0001931300000000 ] - [ 0.0003964000000000, 0.0000561300000000, -0.0000841400000000 ] - [ -0.0003211700000000, -0.0000254200000000, 0.0003004800000000 ] - [ -0.0002176400000000, 0.0004447200000000, 0.0019459100000000 ] - [ -0.0002499800000000, -0.0002853500000000, -0.0009865300000000 ] - [ 0.0002498500000000, 0.0000583600000000, 0.0018640500000000 ] - [ -0.0001437400000000, -0.0000331200000000, 0.0003094800000000 ] - [ -0.0002422500000000, 0.0005086600000000, -0.0035265400000000 ] - [ -0.0003824200000000, -0.0001473300000000, 0.0025649000000000 ] - [ 0.0021409900000000, -0.0002333900000000, 0.0000125800000000 ] - [ -0.0011071900000000, -0.0001225400000000, -0.0000170100000000 ] - [ -0.0001733900000000, 0.0008097900000000, -0.0001771700000000 ] - [ 0.0001417200000000, -0.0004661700000000, 0.0002843900000000 ] - [ -0.0002505700000000, 0.0002465200000000, -0.0000586400000000 ] - [ -0.0004989100000000, -0.0002403200000000, -0.0000886500000000 ] - [ 0.0003063700000000, -0.0000189900000000, -0.0001709000000000 ] - [ -0.0008179600000000, 0.0000432000000000, -0.0000805900000000 ] - [ 0.0097040100000000, -0.0024024200000000, -0.0004285400000000 ] - [ -0.0014917900000000, -0.0014420800000000, -0.0002662300000000 ] - [ 0.0016952400000000, 0.0037004100000000, 0.0007226600000000 ] - [ -0.0017832600000000, -0.0022394800000000, -0.0007004000000000 ] - [ -0.0003980100000000, 0.0007185500000000, 0.0000711200000000 ] - [ 0.0027925700000000, -0.0017763600000000, -0.0009411700000000 ] - [ 0.0068358500000000, 0.0050305700000000, -0.0001825300000000 ] - [ -0.0043119800000000, 0.0002832400000000, 0.0009007600000000 ] - [ -0.0003437000000000, 0.0003759400000000, 0.0007362700000000 ] - [ -0.0000744700000000, -0.0010179400000000, -0.0008572100000000 ] - [ 0.0010098100000000, -0.0000679300000000, 0.0002047100000000 ] - [ -0.0008743500000000, 0.0003409500000000, 0.0000175800000000 ] - [ -0.0009551400000000, 0.0009448500000000, -0.0013802700000000 ] - [ -0.0008191700000000, -0.0013199100000000, 0.0014993800000000 ] - [ 0.0010705100000000, -0.0000936200000000, -0.0000421800000000 ] - [ -0.0005436900000000, 0.0002925500000000, 0.0000275300000000 ] - [ 0.0004941600000000, 0.0003816600000000, -0.0000409200000000 ] - [ -0.0000788200000000, 0.0001428300000000, -0.0001668000000000 ] - [ 0.0002446800000000, 0.0003681100000000, -0.0000902900000000 ] - [ 0.0001383200000000, 0.0003413500000000, -0.0000172400000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004173900000000, -0.0002530000000000, -0.0000770100000000 ] - [ -0.0002623300000000, 0.0000448600000000, 0.0000171600000000 ] - [ -0.0003722100000000, 0.0005967300000000, -0.0003802800000000 ] - [ 0.0002271700000000, -0.0002953400000000, 0.0002476700000000 ] - [ 0.0003576700000000, -0.0002620800000000, 0.0006676100000000 ] - [ -0.0003891300000000, -0.0000912100000000, -0.0001543300000000 ] - [ -0.0001263100000000, 0.0001843400000000, -0.0000405800000000 ] - [ 0.0001712700000000, -0.0001938400000000, -0.0000675600000000 ] - [ -0.0002294200000000, -0.0009852800000000, -0.0035224400000000 ] - [ -0.0006042100000000, 0.0003485300000000, 0.0005578900000000 ] - [ -0.0004544900000000, 0.0005928600000000, 0.0000704100000000 ] - [ 0.0002132700000000, -0.0003247700000000, 0.0001711900000000 ] - [ -0.0072823500000000, 0.0003695900000000, 0.0091603000000000 ] - [ -0.0010389900000000, -0.0001369200000000, -0.0008931300000000 ] - [ -0.0000685800000000, 0.0002328700000000, -0.0002994600000000 ] - [ 0.0000976500000000, -0.0001490000000000, -0.0001050400000000 ] - [ 0.0569783800000000, -0.0001103100000000, 0.0001939100000000 ] - [ -0.0014450400000000, -0.0004246000000000, -0.0000551600000000 ] - [ -0.0005682400000000, 0.0009711800000000, 0.0001509700000000 ] - [ 0.0001989000000000, -0.0004902800000000, -0.0002037300000000 ] - [ 0.0001436500000000, -0.0001219500000000, -0.0000372300000000 ] - [ -0.0002635400000000, 0.0000102200000000, -0.0000497800000000 ] - [ 0.0000054900000000, 0.0001657000000000, -0.0000686100000000 ] - [ 0.0000053400000000, -0.0001468100000000, 0.0000091400000000 ] - [ -0.0001306100000000, 0.0002589800000000, 0.0001341500000000 ] - [ -0.0000224700000000, -0.0002485800000000, -0.0000365900000000 ] - [ 0.0007980000000000, 0.0001018800000000, -0.0004193000000000 ] - [ -0.0004969200000000, 0.0000266700000000, 0.0001439200000000 ] - [ 0.0000182400000000, 0.0003589700000000, -0.0001908700000000 ] - [ -0.0001006700000000, -0.0003684400000000, 0.0000848600000000 ] - [ 0.0002835600000000, 0.0000831600000000, 0.0002555300000000 ] - [ -0.0003692800000000, 0.0000225700000000, 0.0000189900000000 ] - [ -0.0001855500000000, 0.0003615200000000, 0.0000555200000000 ] - [ 0.0003274500000000, -0.0004985400000000, 0.0000195900000000 ] - [ 0.0018968700000000, -0.0003816000000000, 0.0012246000000000 ] - [ -0.0010183300000000, 0.0000167200000000, -0.0004652800000000 ] - [ 0.0012562500000000, 0.0043500800000000, -0.0041057400000000 ] - [ -0.0005023200000000, -0.0001415500000000, -0.0000247600000000 ] - [ 0.0000665500000000, 0.0007375400000000, 0.0009057500000000 ] - [ -0.0002679900000000, -0.0001826300000000, -0.0005218900000000 ] - [ -0.0002822300000000, 0.0003729500000000, 0.0000189300000000 ] - [ 0.0001817900000000, -0.0006615100000000, -0.0001142600000000 ] - [ 0.0003564600000000, -0.0050174700000000, -0.0050907600000000 ] - [ -0.0006149600000000, 0.0001965300000000, 0.0007160400000000 ] - [ 0.0002168700000000, 0.0010254800000000, 0.0022535000000000 ] - [ -0.0006631100000000, -0.0004676000000000, -0.0002729600000000 ] - [ 0.0005124600000000, 0.0005894100000000, -0.0006247400000000 ] - [ -0.0003235700000000, -0.0003258600000000, 0.0003533700000000 ] - [ -0.0000604200000000, 0.0000330400000000, -0.0000009800000000 ] - [ 0.0000799000000000, -0.0001498600000000, -0.0000950300000000 ] - [ 0.0001682800000000, 0.0000601000000000, -0.0000162100000000 ] - [ -0.0002348000000000, -0.0000178800000000, -0.0000355500000000 ] - [ -0.0021845300000000, 0.0021768300000000, -0.0000347900000000 ] - [ -0.0022086300000000, -0.0026363100000000, 0.0001165200000000 ] - [ 0.0019806100000000, -0.0002216600000000, -0.0001978900000000 ] - [ -0.0008938200000000, 0.0007590200000000, -0.0000354600000000 ] - [ 0.0000931300000000, -0.0000087600000000, -0.0009674800000000 ] - [ -0.0003018000000000, 0.0000943100000000, 0.0002145700000000 ] - [ 0.0000758200000000, 0.0001604200000000, 0.0000258300000000 ] - [ -0.0000260700000000, 0.0000356600000000, -0.0000240200000000 ] - [ 0.0002519700000000, 0.0001777400000000, 0.0003875600000000 ] - [ -0.0004763100000000, -0.0004051300000000, -0.0004892200000000 ] - [ 0.0000679400000000, 0.0000311800000000, -0.0000869000000000 ] - [ 0.0000135800000000, 0.0001318800000000, 0.0001301600000000 ] - [ 0.0002568800000000, -0.0001586800000000, 0.0001159800000000 ] - [ -0.0003154300000000, 0.0001054100000000, 0.0001031100000000 ] - [ 0.0002166700000000, 0.0001405600000000, 0.0004755400000000 ] - [ -0.0000327600000000, -0.0000488200000000, -0.0002830800000000 ] - [ 0.0039579800000000, 0.0029167700000000, 0.0008906200000000 ] - [ -0.0005489700000000, -0.0006022800000000, 0.0001011400000000 ] - [ -0.0077753800000000, 0.0104120700000000, -0.0037370500000000 ] - [ -0.0083948300000000, -0.0034316200000000, 0.0031192200000000 ] - [ -0.0001335900000000, -0.0001008600000000, -0.0001525300000000 ] - [ 0.0005615300000000, -0.0004489800000000, -0.0001162200000000 ] - [ 0.0005055500000000, -0.0007594900000000, -0.0000542500000000 ] - [ -0.0000172500000000, -0.0000918900000000, -0.0001812700000000 ] - [ -0.0150210700000000, -0.0040612200000000, -0.0006550200000000 ] - [ 0.0026036700000000, -0.0002759300000000, -0.0001828000000000 ] - [ 0.0009676700000000, -0.0014663000000000, 0.0002445300000000 ] - [ -0.0008253400000000, 0.0010557300000000, -0.0001250800000000 ] - [ -0.0093067800000000, 0.0000938500000000, 0.0000648500000000 ] - [ 0.0011039800000000, 0.0001550200000000, -0.0000079300000000 ] - [ 0.0002152100000000, -0.0007023200000000, -0.0000835900000000 ] - [ -0.0000828600000000, 0.0004990000000000, 0.0003107200000000 ] - [ -0.0003929900000000, -0.0000587300000000, 0.0007396300000000 ] - [ 0.0003300300000000, 0.0000355500000000, 0.0003516200000000 ] - [ 0.0002230300000000, -0.0004494000000000, -0.0013235700000000 ] - [ 0.0002574500000000, 0.0002824300000000, 0.0016298800000000 ] - [ -0.0002537600000000, -0.0000632800000000, -0.0012100800000000 ] - [ 0.0001329500000000, 0.0000315900000000, 0.0003524000000000 ] - [ 0.0002412200000000, -0.0005178000000000, 0.0041890000000000 ] - [ 0.0003886700000000, 0.0001382700000000, -0.0019143000000000 ] - [ -0.0021778600000000, 0.0001995600000000, 0.0000670500000000 ] - [ 0.0010870700000000, 0.0000875000000000, 0.0001254500000000 ] - [ 0.0001716900000000, -0.0008039900000000, 0.0002877600000000 ] - [ -0.0001392500000000, 0.0004352700000000, -0.0001918000000000 ] - [ -0.0004749700000000, -0.0001975200000000, -0.0001486100000000 ] - [ -0.0002245300000000, 0.0002847300000000, -0.0001349700000000 ] - [ -0.0010226900000000, 0.0000699100000000, -0.0000300800000000 ] - [ 0.0000986300000000, 0.0000020200000000, -0.0001254600000000 ] - [ -0.0100373900000000, 0.0014923100000000, 0.0001304300000000 ] - [ 0.0011165700000000, 0.0007779200000000, 0.0000460700000000 ] - [ -0.0020700600000000, -0.0043675500000000, -0.0009301500000000 ] - [ 0.0014117100000000, 0.0015818200000000, 0.0004794800000000 ] - [ 0.0011294000000000, -0.0007639300000000, -0.0002921700000000 ] - [ -0.0020715500000000, 0.0017493700000000, 0.0007530000000000 ] - [ -0.0059285100000000, -0.0047571300000000, -0.0001205700000000 ] - [ 0.0050453300000000, -0.0003199400000000, -0.0010996100000000 ] - [ 0.0003541800000000, -0.0004164600000000, -0.0006188400000000 ] - [ 0.0000601600000000, 0.0010207700000000, 0.0009662200000000 ] - [ -0.0010404800000000, 0.0000470200000000, -0.0001248600000000 ] - [ 0.0008548900000000, -0.0003621800000000, 0.0000749800000000 ] - [ 0.0009401500000000, -0.0009051800000000, 0.0014782200000000 ] - [ 0.0008236000000000, 0.0013332400000000, -0.0014228500000000 ] - [ -0.0010586700000000, 0.0001132100000000, 0.0001511900000000 ] - [ 0.0005646200000000, -0.0002839500000000, 0.0000726400000000 ] - [ -0.0001084400000000, 0.0002711600000000, -0.0001884700000000 ] - [ 0.0004514900000000, 0.0005108100000000, -0.0000443500000000 ] - [ 0.0001419000000000, 0.0002915500000000, -0.0001260000000000 ] - [ 0.0002488000000000, 0.0003202900000000, -0.0001957800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004282500000000, 0.0008957500000000, 0.0008604400000000 ] - [ -0.0001258300000000, 0.0000717700000000, 0.0002326900000000 ] - [ 0.0000271200000000, -0.0000713200000000, 0.0003932200000000 ] - [ -0.0001259000000000, -0.0001646600000000, 0.0004096500000000 ] - [ -0.0014193100000000, -0.0018477400000000, 0.0019157400000000 ] - [ 0.0003046800000000, 0.0000047000000000, 0.0001471600000000 ] - [ -0.0000754600000000, 0.0000825500000000, -0.0000540900000000 ] - [ 0.0002912500000000, 0.0002681100000000, 0.0001242000000000 ] - [ 0.0039980200000000, 0.0006305700000000, 0.0028744600000000 ] - [ -0.0002970000000000, 0.0001309400000000, 0.0000293100000000 ] - [ -0.0001166500000000, 0.0001236300000000, 0.0001045400000000 ] - [ -0.0000390000000000, -0.0001417500000000, -0.0000696600000000 ] - [ -0.0098441000000000, 0.0005784400000000, 0.0022793400000000 ] - [ 0.0007196900000000, 0.0001609800000000, -0.0006028500000000 ] - [ 0.0000601200000000, -0.0001335300000000, -0.0006302100000000 ] - [ 0.0001533400000000, 0.0001492100000000, -0.0004235200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0399649200000000 ] - [ 0.0000195800000000, 0.0002081300000000, -0.0003694200000000 ] - [ -0.0001900300000000, -0.0000871100000000, -0.0003694200000000 ] - [ 0.0001704500000000, -0.0001210200000000, -0.0003694200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022837500000000 ] - [ -0.0000167800000000, -0.0000484800000000, 0.0002647600000000 ] - [ 0.0000503800000000, 0.0000097100000000, 0.0002647600000000 ] - [ -0.0000336000000000, 0.0000387800000000, 0.0002647600000000 ] - [ -0.0000796500000000, 0.0001913600000000, 0.0004096500000000 ] - [ 0.0001250700000000, 0.0000730900000000, 0.0002326900000000 ] - [ 0.0005616200000000, -0.0008187500000000, 0.0008604400000000 ] - [ -0.0000753300000000, 0.0000121800000000, 0.0003932200000000 ] - [ 0.0000865700000000, -0.0003862900000000, 0.0001242000000000 ] - [ -0.0001482700000000, -0.0002662100000000, 0.0001471600000000 ] - [ -0.0008905300000000, 0.0021530300000000, 0.0019157400000000 ] - [ 0.0001092200000000, 0.0000240700000000, -0.0000540900000000 ] - [ -0.0001032600000000, 0.0001046500000000, -0.0000696600000000 ] - [ 0.0002619000000000, 0.0001917500000000, 0.0000293100000000 ] - [ -0.0014529200000000, -0.0037776700000000, 0.0028744600000000 ] - [ 0.0001653900000000, 0.0000392100000000, 0.0001045400000000 ] - [ 0.0044211100000000, -0.0088144700000000, 0.0022793400000000 ] - [ -0.0002058900000000, 0.0000581900000000, -0.0004235200000000 ] - [ -0.0004992600000000, 0.0005427800000000, -0.0006028500000000 ] - [ 0.0000855800000000, 0.0001188300000000, -0.0006302100000000 ] - [ 0.0000525500000000, -0.0002074100000000, -0.0004235200000000 ] - [ -0.0002204300000000, -0.0007037600000000, -0.0006028500000000 ] - [ 0.0054230000000000, 0.0082360200000000, 0.0022793400000000 ] - [ -0.0001457000000000, 0.0000147000000000, -0.0006302100000000 ] - [ -0.0025450900000000, 0.0031471000000000, 0.0028744600000000 ] - [ 0.0001422500000000, 0.0000371000000000, -0.0000696600000000 ] - [ 0.0000351100000000, -0.0003226800000000, 0.0000293100000000 ] - [ -0.0000487400000000, -0.0001628400000000, 0.0001045400000000 ] - [ 0.0000370900000000, -0.0000484500000000, 0.0005391100000000 ] - [ -0.0000605000000000, -0.0000078900000000, 0.0005391100000000 ] - [ 0.0000234100000000, 0.0000563400000000, 0.0005391100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002683700000000 ] - [ -0.0001616000000000, -0.0000935200000000, -0.0011638400000000 ] - [ -0.0000001800000000, 0.0001867100000000, -0.0011638400000000 ] - [ 0.0001617900000000, -0.0000931900000000, -0.0011638400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004107200000000 ] - [ 0.0023098400000000, -0.0003052900000000, 0.0019157400000000 ] - [ -0.0003778200000000, 0.0001181800000000, 0.0001242000000000 ] - [ -0.0001564100000000, 0.0002615100000000, 0.0001471600000000 ] - [ -0.0000337600000000, -0.0001066200000000, -0.0000540900000000 ] - [ -0.0009898700000000, -0.0000770000000000, 0.0008604400000000 ] - [ 0.0002055500000000, -0.0000267000000000, 0.0004096500000000 ] - [ 0.0000007600000000, -0.0001448600000000, 0.0002326900000000 ] - [ 0.0000482100000000, 0.0000591500000000, 0.0003932200000000 ] - [ 0.0000564400000000, -0.0008018700000000, 0.0017170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007155900000000 ] - [ -0.0007226600000000, 0.0003520600000000, 0.0017170500000000 ] - [ 0.0006662200000000, 0.0004498200000000, 0.0017170500000000 ] - [ 0.0007394600000000, 0.0036442800000000, 0.0000799400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002430100000000 ] - [ 0.0027863100000000, -0.0024625300000000, 0.0000799400000000 ] - [ -0.0035257700000000, -0.0011817500000000, 0.0000799400000000 ] - [ 0.0003480100000000, 0.0000345100000000, -0.0019600900000000 ] - [ 0.0001555000000000, -0.0003375700000000, -0.0005343500000000 ] - [ 0.0004078900000000, -0.0006564400000000, -0.0006068200000000 ] - [ 0.0002437500000000, -0.0006452800000000, -0.0007683900000000 ] - [ 0.0027282100000000, 0.0013323900000000, 0.0078553100000000 ] - [ 0.0004593500000000, -0.0002529200000000, 0.0009016100000000 ] - [ 0.0002243600000000, -0.0005641100000000, 0.0004108700000000 ] - [ -0.0002551200000000, 0.0004240500000000, 0.0003267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028943300000000 ] - [ -0.0000074200000000, -0.0001724200000000, 0.0005108900000000 ] - [ 0.0001530300000000, 0.0000797800000000, 0.0005108900000000 ] - [ -0.0001456100000000, 0.0000926400000000, 0.0005108900000000 ] - [ 0.0000091400000000, 0.0017399500000000, -0.0003843700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000829800000000 ] - [ 0.0015022700000000, -0.0008779000000000, -0.0003843700000000 ] - [ -0.0015114200000000, -0.0008620600000000, -0.0003843700000000 ] - [ 0.0001046300000000, -0.0006519100000000, -0.0003909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003156500000000 ] - [ -0.0006168800000000, 0.0002353400000000, -0.0003909300000000 ] - [ 0.0005122500000000, 0.0004165700000000, -0.0003909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062877000000000 ] - [ 0.0000215800000000, -0.0000726300000000, -0.0003486700000000 ] - [ 0.0000521100000000, 0.0000550000000000, -0.0003486700000000 ] - [ -0.0000736900000000, 0.0000176300000000, -0.0003486700000000 ] - [ -0.0006807000000000, 0.0001115500000000, -0.0007683900000000 ] - [ -0.0003700900000000, 0.0000341200000000, -0.0005343500000000 ] - [ -0.0001441200000000, -0.0003186400000000, -0.0019600900000000 ] - [ -0.0007724400000000, -0.0000250300000000, -0.0006068200000000 ] - [ -0.0025179900000000, 0.0016965000000000, 0.0078553100000000 ] - [ -0.0002396800000000, -0.0004329700000000, 0.0003267700000000 ] - [ -0.0000106400000000, 0.0005242700000000, 0.0009016100000000 ] - [ 0.0003763500000000, 0.0004763500000000, 0.0004108700000000 ] - [ 0.0004948000000000, 0.0000089200000000, 0.0003267700000000 ] - [ -0.0004487200000000, -0.0002713500000000, 0.0009016100000000 ] - [ -0.0002102200000000, -0.0030288900000000, 0.0078553100000000 ] - [ -0.0006007100000000, 0.0000877600000000, 0.0004108700000000 ] - [ 0.0007942500000000, -0.0004505600000000, -0.0005961400000000 ] - [ -0.0007873200000000, -0.0004625600000000, -0.0005961400000000 ] - [ -0.0000069300000000, 0.0009131200000000, -0.0005961400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004819000000000 ] - [ -0.0019978800000000, 0.0012524200000000, 0.0003194200000000 ] - [ 0.0020835700000000, 0.0011040100000000, 0.0003194200000000 ] - [ -0.0000856900000000, -0.0023564300000000, 0.0003194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006481600000000 ] - [ -0.0002038900000000, 0.0002841300000000, -0.0019600900000000 ] - [ 0.0004369600000000, 0.0005337300000000, -0.0007683900000000 ] - [ 0.0002146000000000, 0.0003034500000000, -0.0005343500000000 ] - [ 0.0003645500000000, 0.0006814700000000, -0.0006068200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004682700000000, -0.0008426000000000, -0.0009312800000000 ] - [ 0.0001003700000000, -0.0000155100000000, -0.0003049900000000 ] - [ -0.0000656500000000, 0.0001341200000000, -0.0004528700000000 ] - [ 0.0000925900000000, 0.0002372400000000, -0.0004738500000000 ] - [ 0.0014559600000000, 0.0017701900000000, -0.0019607000000000 ] - [ -0.0002588800000000, -0.0000816700000000, -0.0002024700000000 ] - [ 0.0001285400000000, -0.0001513400000000, -0.0000087100000000 ] - [ -0.0002481000000000, -0.0003386700000000, -0.0001879700000000 ] - [ -0.0041094600000000, -0.0005593600000000, -0.0029631900000000 ] - [ 0.0002592000000000, -0.0000515600000000, -0.0000763900000000 ] - [ 0.0000715900000000, -0.0000477000000000, -0.0001624500000000 ] - [ 0.0000021700000000, 0.0002169300000000, 0.0000041900000000 ] - [ 0.0097905700000000, -0.0006427100000000, -0.0023516600000000 ] - [ -0.0006807200000000, -0.0002243700000000, 0.0005244800000000 ] - [ -0.0000158900000000, 0.0000768800000000, 0.0005541900000000 ] - [ -0.0001144700000000, -0.0002168900000000, 0.0003575800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0391132600000000 ] - [ -0.0000232000000000, -0.0002033000000000, 0.0003114000000000 ] - [ 0.0001876700000000, 0.0000815500000000, 0.0003114000000000 ] - [ -0.0001644600000000, 0.0001217500000000, 0.0003114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023538600000000 ] - [ 0.0000168400000000, 0.0000406300000000, -0.0003158400000000 ] - [ -0.0000436000000000, -0.0000057300000000, -0.0003158400000000 ] - [ 0.0000267700000000, -0.0000349000000000, -0.0003158400000000 ] - [ 0.0001591600000000, -0.0001988100000000, -0.0004738500000000 ] - [ -0.0000636100000000, -0.0000791700000000, -0.0003049900000000 ] - [ -0.0004955800000000, 0.0008268300000000, -0.0009312800000000 ] - [ 0.0001489700000000, -0.0000102100000000, -0.0004528700000000 ] - [ -0.0001692500000000, 0.0003842000000000, -0.0001879700000000 ] - [ 0.0000587100000000, 0.0002650400000000, -0.0002024700000000 ] - [ 0.0008050500000000, -0.0021459900000000, -0.0019607000000000 ] - [ -0.0001953300000000, -0.0000356500000000, -0.0000087100000000 ] - [ 0.0001867800000000, -0.0001103500000000, 0.0000041900000000 ] - [ -0.0001742500000000, -0.0001986900000000, -0.0000763900000000 ] - [ 0.0015703100000000, 0.0038385800000000, -0.0029631900000000 ] - [ -0.0000771000000000, -0.0000381500000000, -0.0001624500000000 ] - [ -0.0043386800000000, 0.0088002400000000, -0.0023516600000000 ] - [ 0.0002450700000000, 0.0000093100000000, 0.0003575800000000 ] - [ 0.0005346700000000, -0.0004773400000000, 0.0005244800000000 ] - [ -0.0000586300000000, -0.0000522000000000, 0.0005541900000000 ] - [ -0.0001306000000000, 0.0002075800000000, 0.0003575800000000 ] - [ 0.0001460500000000, 0.0007017100000000, 0.0005244800000000 ] - [ -0.0054518900000000, -0.0081575300000000, -0.0023516600000000 ] - [ 0.0000745200000000, -0.0000246800000000, 0.0005541900000000 ] - [ 0.0025391500000000, -0.0032792200000000, -0.0029631900000000 ] - [ -0.0001889500000000, -0.0001065800000000, 0.0000041900000000 ] - [ -0.0000849400000000, 0.0002502500000000, -0.0000763900000000 ] - [ 0.0000055100000000, 0.0000858400000000, -0.0001624500000000 ] - [ -0.0000311100000000, 0.0000479100000000, -0.0005981500000000 ] - [ 0.0000570500000000, 0.0000029900000000, -0.0005981500000000 ] - [ -0.0000259400000000, -0.0000509000000000, -0.0005981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156200000000 ] - [ 0.0001494600000000, 0.0001034100000000, 0.0011046800000000 ] - [ 0.0000148300000000, -0.0001811400000000, 0.0011046800000000 ] - [ -0.0001642900000000, 0.0000777300000000, 0.0011046800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003374900000000 ] - [ -0.0022610100000000, 0.0003758000000000, -0.0019607000000000 ] - [ 0.0004173500000000, -0.0000455300000000, -0.0001879700000000 ] - [ 0.0002001700000000, -0.0001833600000000, -0.0002024700000000 ] - [ 0.0000667900000000, 0.0001869900000000, -0.0000087100000000 ] - [ 0.0009638500000000, 0.0000157700000000, -0.0009312800000000 ] - [ -0.0002517500000000, -0.0000384300000000, -0.0004738500000000 ] - [ -0.0000367500000000, 0.0000946700000000, -0.0003049900000000 ] - [ -0.0000833200000000, -0.0001239100000000, -0.0004528700000000 ] - [ -0.0000567300000000, 0.0008027700000000, -0.0015139800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005022100000000 ] - [ 0.0007235800000000, -0.0003522600000000, -0.0015139800000000 ] - [ -0.0006668600000000, -0.0004505100000000, -0.0015139800000000 ] - [ -0.0007268000000000, -0.0036189300000000, 0.0001490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004360400000000 ] - [ -0.0027706900000000, 0.0024388900000000, 0.0001490500000000 ] - [ 0.0034974900000000, 0.0011800400000000, 0.0001490500000000 ] - [ -0.0000194500000000, -0.0005852900000000, 0.0017740200000000 ] - [ 0.0001650800000000, -0.0002082900000000, 0.0003626700000000 ] - [ -0.0000742600000000, 0.0000975800000000, 0.0003901600000000 ] - [ 0.0000880900000000, 0.0000813100000000, 0.0005801000000000 ] - [ -0.0030808900000000, -0.0007371800000000, -0.0080108100000000 ] - [ -0.0007902000000000, 0.0008263600000000, -0.0010790700000000 ] - [ -0.0005604200000000, 0.0011299000000000, -0.0005899100000000 ] - [ -0.0000608300000000, 0.0001183800000000, -0.0005221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017159500000000 ] - [ 0.0000172000000000, 0.0002148900000000, -0.0003879800000000 ] - [ -0.0001947000000000, -0.0000925500000000, -0.0003879800000000 ] - [ 0.0001775000000000, -0.0001223400000000, -0.0003879800000000 ] - [ -0.0000135100000000, -0.0017347100000000, 0.0009750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004848000000000 ] - [ -0.0014955500000000, 0.0008790500000000, 0.0009750400000000 ] - [ 0.0015090600000000, 0.0008556600000000, 0.0009750400000000 ] - [ -0.0001004900000000, 0.0006648300000000, 0.0009738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002508600000000 ] - [ 0.0006260000000000, -0.0002453900000000, 0.0009738700000000 ] - [ -0.0005255100000000, -0.0004194400000000, 0.0009738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0064722600000000 ] - [ 0.0000169700000000, 0.0000442600000000, 0.0004457500000000 ] - [ -0.0000468200000000, -0.0000074300000000, 0.0004457500000000 ] - [ 0.0000298400000000, -0.0000368300000000, 0.0004457500000000 ] - [ 0.0000263800000000, -0.0001169400000000, 0.0005801000000000 ] - [ -0.0002629300000000, -0.0000388200000000, 0.0003626700000000 ] - [ -0.0004971500000000, 0.0003094900000000, 0.0017740200000000 ] - [ 0.0001216400000000, 0.0000155300000000, 0.0003901600000000 ] - [ 0.0021788600000000, -0.0022995400000000, -0.0080108100000000 ] - [ -0.0000721100000000, -0.0001118700000000, -0.0005221700000000 ] - [ -0.0003205500000000, -0.0010975200000000, -0.0010790700000000 ] - [ -0.0006983100000000, -0.0010502800000000, -0.0005899100000000 ] - [ 0.0001329300000000, -0.0000065100000000, -0.0005221700000000 ] - [ 0.0011107500000000, 0.0002711600000000, -0.0010790700000000 ] - [ 0.0009020300000000, 0.0030367200000000, -0.0080108100000000 ] - [ 0.0012587300000000, -0.0000796200000000, -0.0005899100000000 ] - [ -0.0008054500000000, 0.0004137200000000, 0.0007004300000000 ] - [ 0.0007610200000000, 0.0004906800000000, 0.0007004300000000 ] - [ 0.0000444300000000, -0.0009044000000000, 0.0007004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005762100000000 ] - [ 0.0019566500000000, -0.0012486800000000, -0.0002114500000000 ] - [ -0.0020597100000000, -0.0010701700000000, -0.0002114500000000 ] - [ 0.0001030600000000, 0.0023188500000000, -0.0002114500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004884200000000 ] - [ 0.0005166000000000, 0.0002758000000000, 0.0017740200000000 ] - [ -0.0001144600000000, 0.0000356300000000, 0.0005801000000000 ] - [ 0.0000978500000000, 0.0002471100000000, 0.0003626700000000 ] - [ -0.0000473700000000, -0.0001131000000000, 0.0003901600000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021021400000000, -0.0016911400000000, -0.0073066400000000 ] - [ 0.0018336000000000, 0.0004914100000000, 0.0003653900000000 ] - [ -0.0010829800000000, -0.0015793200000000, 0.0003978200000000 ] - [ 0.0006389400000000, 0.0007926000000000, -0.0001754500000000 ] - [ 0.0000675400000000, -0.0105394700000000, 0.0116576600000000 ] - [ 0.0018452200000000, 0.0008401900000000, -0.0003514400000000 ] - [ -0.0012572700000000, -0.0040454800000000, -0.0014524000000000 ] - [ 0.0011030200000000, 0.0007885100000000, -0.0000295800000000 ] - [ -0.0000788200000000, -0.0005293900000000, -0.0007279800000000 ] - [ 0.0006122900000000, 0.0009361500000000, 0.0003396300000000 ] - [ -0.0015757000000000, -0.0007105700000000, 0.0005732700000000 ] - [ 0.0008060200000000, 0.0000818200000000, -0.0003063500000000 ] - [ -0.0001735800000000, -0.0010141200000000, 0.0004747000000000 ] - [ 0.0005129700000000, 0.0011643100000000, -0.0001980100000000 ] - [ -0.0014476300000000, -0.0004185700000000, -0.0014698900000000 ] - [ 0.0013135000000000, -0.0000827800000000, 0.0001300200000000 ] - [ -0.0002501200000000, 0.0001110000000000, 0.0000307300000000 ] - [ 0.0003290800000000, 0.0001082700000000, -0.0000361100000000 ] - [ -0.0002037000000000, -0.0001920600000000, -0.0007538600000000 ] - [ 0.0000455300000000, 0.0000031100000000, 0.0006277700000000 ] - [ -0.0039703000000000, -0.0036748500000000, -0.0007700900000000 ] - [ 0.0005330900000000, 0.0006147400000000, -0.0000312100000000 ] - [ 0.0084287100000000, -0.0101013100000000, 0.0035097500000000 ] - [ 0.0077332800000000, 0.0038210500000000, -0.0027970700000000 ] - [ 0.0009137800000000, 0.0000000000000000, 0.0145800500000000 ] - [ 0.0017741300000000, 0.0000000000000000, -0.0008567200000000 ] - [ 0.0002437000000000, -0.0008872700000000, -0.0002547700000000 ] - [ 0.0002437000000000, 0.0008872700000000, -0.0002547700000000 ] - [ 0.0182434700000000, 0.0000000000000000, -0.0236507700000000 ] - [ 0.0056120200000000, 0.0000000000000000, 0.0027789200000000 ] - [ -0.0000667400000000, -0.0006819000000000, 0.0002696000000000 ] - [ -0.0000667400000000, 0.0006819000000000, 0.0002696000000000 ] - [ 0.0009714300000000, 0.0000000000000000, 0.0013658300000000 ] - [ -0.0002012600000000, 0.0000000000000000, -0.0012486800000000 ] - [ -0.0000349000000000, -0.0002599800000000, -0.0001329100000000 ] - [ -0.0000349000000000, 0.0002599800000000, -0.0001329100000000 ] - [ -0.0014476300000000, 0.0004185700000000, -0.0014698900000000 ] - [ 0.0013135000000000, 0.0000827800000000, 0.0001300200000000 ] - [ 0.0005129700000000, -0.0011643100000000, -0.0001980100000000 ] - [ -0.0001735800000000, 0.0010141200000000, 0.0004747000000000 ] - [ 0.0014550900000000, 0.0000000000000000, -0.0010251000000000 ] - [ -0.0007148400000000, 0.0000000000000000, 0.0029166800000000 ] - [ -0.0001389900000000, 0.0000614900000000, -0.0000090100000000 ] - [ -0.0001389900000000, -0.0000614900000000, -0.0000090100000000 ] - [ -0.0015757000000000, 0.0007105700000000, 0.0005732700000000 ] - [ 0.0008060200000000, -0.0000818200000000, -0.0003063500000000 ] - [ 0.0006122900000000, -0.0009361500000000, 0.0003396300000000 ] - [ -0.0000788200000000, 0.0005293900000000, -0.0007279800000000 ] - [ 0.0084287100000000, 0.0101013100000000, 0.0035097500000000 ] - [ 0.0077332800000000, -0.0038210500000000, -0.0027970700000000 ] - [ 0.0005330900000000, -0.0006147400000000, -0.0000312100000000 ] - [ -0.0039703000000000, 0.0036748500000000, -0.0007700900000000 ] - [ -0.0002037000000000, 0.0001920600000000, -0.0007538600000000 ] - [ 0.0000455300000000, -0.0000031100000000, 0.0006277700000000 ] - [ 0.0003290800000000, -0.0001082700000000, -0.0000361100000000 ] - [ -0.0002501200000000, -0.0001110000000000, 0.0000307300000000 ] - [ -0.0012572700000000, 0.0040454800000000, -0.0014524000000000 ] - [ 0.0011030200000000, -0.0007885100000000, -0.0000295800000000 ] - [ 0.0018452200000000, -0.0008401900000000, -0.0003514400000000 ] - [ 0.0000675400000000, 0.0105394700000000, 0.0116576600000000 ] - [ -0.0010829800000000, 0.0015793200000000, 0.0003978200000000 ] - [ 0.0006389400000000, -0.0007926000000000, -0.0001754500000000 ] - [ 0.0018336000000000, -0.0004914100000000, 0.0003653900000000 ] - [ -0.0021021400000000, 0.0016911400000000, -0.0073066400000000 ] - [ -0.4065230700000000, 0.0000000000000000, -0.0028786900000000 ] - [ 0.0115851000000000, 0.0000000000000000, 0.0002252900000000 ] - [ 0.0024453400000000, -0.0052903300000000, 0.0000071700000000 ] - [ 0.0024453400000000, 0.0052903300000000, 0.0000071700000000 ] - [ -0.0018044700000000, 0.0000000000000000, 0.0001143300000000 ] - [ 0.0027725100000000, 0.0000000000000000, 0.0002951700000000 ] - [ -0.0002464500000000, -0.0017467200000000, -0.0000095200000000 ] - [ -0.0002464500000000, 0.0017467200000000, -0.0000095200000000 ] - [ 0.0722580300000000, -0.0671463300000000, -0.0226831000000000 ] - [ -0.0055492400000000, 0.0002969200000000, 0.0004193600000000 ] - [ 0.0005924700000000, 0.0068652600000000, 0.0001037200000000 ] - [ -0.0008772600000000, -0.0032414200000000, -0.0004208500000000 ] - [ -0.0003888800000000, 0.0013376300000000, -0.0004353000000000 ] - [ -0.0001763000000000, -0.0012162000000000, 0.0002476600000000 ] - [ 0.0009997400000000, 0.0001393800000000, 0.0000720700000000 ] - [ -0.0013593200000000, 0.0009775800000000, -0.0005114400000000 ] - [ 0.0023152800000000, 0.0005329800000000, -0.0016457800000000 ] - [ -0.0013686700000000, -0.0005486600000000, 0.0001262800000000 ] - [ -0.0017109400000000, 0.0033895100000000, 0.0057585600000000 ] - [ -0.0022206200000000, -0.0016158700000000, -0.0037694500000000 ] - [ 0.0349544700000000, 0.0000000000000000, 0.0004868700000000 ] - [ -0.0023909900000000, 0.0000000000000000, 0.0001165700000000 ] - [ -0.0000995200000000, 0.0013173300000000, 0.0004740400000000 ] - [ -0.0000995200000000, -0.0013173300000000, 0.0004740400000000 ] - [ 0.0047526400000000, 0.0000000000000000, 0.0003667900000000 ] - [ -0.0019591900000000, 0.0000000000000000, 0.0001537900000000 ] - [ -0.0000189300000000, 0.0011175100000000, 0.0004378700000000 ] - [ -0.0000189300000000, -0.0011175100000000, 0.0004378700000000 ] - [ 0.0023648500000000, 0.0014141700000000, 0.0026587200000000 ] - [ -0.0012418800000000, -0.0006491000000000, 0.0001055100000000 ] - [ -0.0021404700000000, 0.0040953000000000, -0.0055069600000000 ] - [ -0.0022399100000000, -0.0011024000000000, 0.0031836100000000 ] - [ 0.1949991700000000, 0.0000000000000000, 0.0478242500000000 ] - [ -0.0123968800000000, 0.0000000000000000, -0.0005979700000000 ] - [ -0.0018115000000000, 0.0022709800000000, -0.0004302000000000 ] - [ -0.0018115000000000, -0.0022709800000000, -0.0004302000000000 ] - [ 0.0009997400000000, -0.0001393800000000, 0.0000720700000000 ] - [ -0.0013593200000000, -0.0009775800000000, -0.0005114400000000 ] - [ -0.0001763000000000, 0.0012162000000000, 0.0002476600000000 ] - [ -0.0003888800000000, -0.0013376300000000, -0.0004353000000000 ] - [ -0.0015179400000000, 0.0000000000000000, 0.0004635700000000 ] - [ 0.0018883000000000, 0.0000000000000000, -0.0006331000000000 ] - [ 0.0006038300000000, 0.0000808900000000, -0.0001541000000000 ] - [ 0.0006038300000000, -0.0000808900000000, -0.0001541000000000 ] - [ -0.0021404700000000, -0.0040953000000000, -0.0055069600000000 ] - [ -0.0022399100000000, 0.0011024000000000, 0.0031836100000000 ] - [ -0.0012418800000000, 0.0006491000000000, 0.0001055100000000 ] - [ 0.0023648500000000, -0.0014141700000000, 0.0026587200000000 ] - [ -0.0017109400000000, -0.0033895100000000, 0.0057585600000000 ] - [ -0.0022206200000000, 0.0016158700000000, -0.0037694500000000 ] - [ -0.0013686700000000, 0.0005486600000000, 0.0001262800000000 ] - [ 0.0023152800000000, -0.0005329800000000, -0.0016457800000000 ] - [ 0.0005924700000000, -0.0068652600000000, 0.0001037200000000 ] - [ -0.0008772600000000, 0.0032414200000000, -0.0004208500000000 ] - [ -0.0055492400000000, -0.0002969200000000, 0.0004193600000000 ] - [ 0.0722580300000000, 0.0671463300000000, -0.0226831000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021070900000000, 0.0017664600000000, 0.0071931700000000 ] - [ -0.0018449800000000, -0.0004096300000000, -0.0004054700000000 ] - [ 0.0010440500000000, 0.0016421600000000, -0.0004534400000000 ] - [ -0.0006549800000000, -0.0007216400000000, 0.0001226800000000 ] - [ 0.0001283300000000, 0.0104581600000000, -0.0117251600000000 ] - [ -0.0017936600000000, -0.0009048800000000, 0.0002762300000000 ] - [ 0.0012596700000000, 0.0039474800000000, 0.0013851000000000 ] - [ -0.0010485700000000, -0.0008782100000000, -0.0000302300000000 ] - [ 0.0000358600000000, 0.0006103700000000, 0.0006728900000000 ] - [ -0.0006591300000000, -0.0008419500000000, -0.0003888500000000 ] - [ 0.0015087500000000, 0.0007903700000000, -0.0006271200000000 ] - [ -0.0008510700000000, -0.0000028500000000, 0.0002466500000000 ] - [ 0.0002185500000000, 0.0009413100000000, -0.0005260100000000 ] - [ -0.0004895200000000, -0.0012272600000000, 0.0001351600000000 ] - [ 0.0014014100000000, 0.0004007800000000, 0.0014523600000000 ] - [ -0.0012858200000000, 0.0000032800000000, -0.0001925600000000 ] - [ 0.0002702300000000, -0.0001216600000000, -0.0000776900000000 ] - [ -0.0003066000000000, -0.0001075600000000, -0.0000309300000000 ] - [ 0.0002139000000000, 0.0001834500000000, 0.0006881100000000 ] - [ -0.0000077100000000, -0.0000045300000000, -0.0007012900000000 ] - [ 0.0039094100000000, 0.0036280700000000, 0.0006969700000000 ] - [ -0.0005541400000000, -0.0005955200000000, -0.0000287700000000 ] - [ -0.0083650600000000, 0.0099401200000000, -0.0035103800000000 ] - [ -0.0077466500000000, -0.0038807100000000, 0.0027636300000000 ] - [ -0.0008577700000000, 0.0000000000000000, -0.0144523900000000 ] - [ -0.0016812400000000, 0.0000000000000000, 0.0008239400000000 ] - [ -0.0001558700000000, 0.0008749300000000, 0.0001947000000000 ] - [ -0.0001558700000000, -0.0008749300000000, 0.0001947000000000 ] - [ -0.0180772600000000, 0.0000000000000000, 0.0231451500000000 ] - [ -0.0057240200000000, 0.0000000000000000, -0.0028793900000000 ] - [ -0.0000235700000000, 0.0006532500000000, -0.0003316400000000 ] - [ -0.0000235700000000, -0.0006532500000000, -0.0003316400000000 ] - [ -0.0008794700000000, 0.0000000000000000, -0.0014205300000000 ] - [ 0.0003000700000000, 0.0000000000000000, 0.0011861700000000 ] - [ 0.0001250700000000, 0.0002556300000000, 0.0000648800000000 ] - [ 0.0001250700000000, -0.0002556300000000, 0.0000648800000000 ] - [ 0.0014014100000000, -0.0004007800000000, 0.0014523600000000 ] - [ -0.0012858200000000, -0.0000032800000000, -0.0001925600000000 ] - [ -0.0004895200000000, 0.0012272600000000, 0.0001351600000000 ] - [ 0.0002185500000000, -0.0009413100000000, -0.0005260100000000 ] - [ -0.0015418000000000, 0.0000000000000000, 0.0009553300000000 ] - [ 0.0007117000000000, 0.0000000000000000, -0.0029522100000000 ] - [ 0.0000486600000000, -0.0000807000000000, -0.0000410200000000 ] - [ 0.0000486600000000, 0.0000807000000000, -0.0000410200000000 ] - [ 0.0015087500000000, -0.0007903700000000, -0.0006271200000000 ] - [ -0.0008510700000000, 0.0000028500000000, 0.0002466500000000 ] - [ -0.0006591300000000, 0.0008419500000000, -0.0003888500000000 ] - [ 0.0000358600000000, -0.0006103700000000, 0.0006728900000000 ] - [ -0.0083650600000000, -0.0099401200000000, -0.0035103800000000 ] - [ -0.0077466500000000, 0.0038807100000000, 0.0027636300000000 ] - [ -0.0005541400000000, 0.0005955200000000, -0.0000287700000000 ] - [ 0.0039094100000000, -0.0036280700000000, 0.0006969700000000 ] - [ 0.0002139000000000, -0.0001834500000000, 0.0006881100000000 ] - [ -0.0000077100000000, 0.0000045300000000, -0.0007012900000000 ] - [ -0.0003066000000000, 0.0001075600000000, -0.0000309300000000 ] - [ 0.0002702300000000, 0.0001216600000000, -0.0000776900000000 ] - [ 0.0012596700000000, -0.0039474800000000, 0.0013851000000000 ] - [ -0.0010485700000000, 0.0008782100000000, -0.0000302300000000 ] - [ -0.0017936600000000, 0.0009048800000000, 0.0002762300000000 ] - [ 0.0001283300000000, -0.0104581600000000, -0.0117251600000000 ] - [ 0.0010440500000000, -0.0016421600000000, -0.0004534400000000 ] - [ -0.0006549800000000, 0.0007216400000000, 0.0001226800000000 ] - [ -0.0018449800000000, 0.0004096300000000, -0.0004054700000000 ] - [ 0.0021070900000000, -0.0017664600000000, 0.0071931700000000 ] - [ 0.3960993600000000, 0.0000000000000000, -0.0028266200000000 ] - [ -0.0115524800000000, 0.0000000000000000, -0.0000719000000000 ] - [ -0.0024044300000000, 0.0052580500000000, 0.0001792200000000 ] - [ -0.0024044300000000, -0.0052580500000000, 0.0001792200000000 ] - [ 0.0018010200000000, 0.0000000000000000, 0.0001372600000000 ] - [ -0.0027563600000000, 0.0000000000000000, -0.0000960300000000 ] - [ 0.0002447800000000, 0.0017307400000000, 0.0002051100000000 ] - [ 0.0002447800000000, -0.0017307400000000, 0.0002051100000000 ] - [ -0.0723184200000000, 0.0689044000000000, 0.0235274700000000 ] - [ 0.0059009500000000, -0.0009755200000000, -0.0006927400000000 ] - [ -0.0001601600000000, -0.0074645500000000, -0.0003350400000000 ] - [ 0.0012658000000000, 0.0025887900000000, 0.0001466500000000 ] - [ -0.0000370100000000, -0.0006626800000000, 0.0001774400000000 ] - [ -0.0002314400000000, 0.0018663000000000, -0.0004842200000000 ] - [ -0.0013778100000000, 0.0005076000000000, -0.0003673500000000 ] - [ 0.0009441000000000, -0.0003119600000000, 0.0002489700000000 ] - [ -0.0023067700000000, -0.0004957900000000, 0.0017697500000000 ] - [ 0.0013773000000000, 0.0004802800000000, 0.0000695700000000 ] - [ 0.0018046900000000, -0.0033554600000000, -0.0055210100000000 ] - [ 0.0021835700000000, 0.0016029100000000, 0.0039802800000000 ] - [ -0.0346041300000000, 0.0000000000000000, 0.0004830100000000 ] - [ 0.0023698100000000, 0.0000000000000000, 0.0006029300000000 ] - [ 0.0000945700000000, -0.0013143500000000, 0.0002136500000000 ] - [ 0.0000945700000000, 0.0013143500000000, 0.0002136500000000 ] - [ -0.0047215100000000, 0.0000000000000000, 0.0003395500000000 ] - [ 0.0019418300000000, 0.0000000000000000, 0.0005062900000000 ] - [ 0.0000164900000000, -0.0011089400000000, 0.0002424300000000 ] - [ 0.0000164900000000, 0.0011089400000000, 0.0002424300000000 ] - [ -0.0023323700000000, -0.0013858400000000, -0.0024377100000000 ] - [ 0.0012362000000000, 0.0006355900000000, 0.0000666100000000 ] - [ 0.0021000200000000, -0.0040592100000000, 0.0056198400000000 ] - [ 0.0021827400000000, 0.0011200000000000, -0.0029869200000000 ] - [ -0.1853516400000000, 0.0000000000000000, -0.0445571400000000 ] - [ 0.0116924700000000, 0.0000000000000000, 0.0003325700000000 ] - [ 0.0010250900000000, -0.0022369000000000, 0.0001985200000000 ] - [ 0.0010250900000000, 0.0022369000000000, 0.0001985200000000 ] - [ -0.0013778100000000, -0.0005076000000000, -0.0003673500000000 ] - [ 0.0009441000000000, 0.0003119600000000, 0.0002489700000000 ] - [ -0.0002314400000000, -0.0018663000000000, -0.0004842200000000 ] - [ -0.0000370100000000, 0.0006626800000000, 0.0001774400000000 ] - [ 0.0022741700000000, 0.0000000000000000, -0.0006932400000000 ] - [ -0.0011523400000000, 0.0000000000000000, 0.0003559300000000 ] - [ 0.0001632800000000, -0.0000676900000000, -0.0001018300000000 ] - [ 0.0001632800000000, 0.0000676900000000, -0.0001018300000000 ] - [ 0.0021000200000000, 0.0040592100000000, 0.0056198400000000 ] - [ 0.0021827400000000, -0.0011200000000000, -0.0029869200000000 ] - [ 0.0012362000000000, -0.0006355900000000, 0.0000666100000000 ] - [ -0.0023323700000000, 0.0013858400000000, -0.0024377100000000 ] - [ 0.0018046900000000, 0.0033554600000000, -0.0055210100000000 ] - [ 0.0021835700000000, -0.0016029100000000, 0.0039802800000000 ] - [ 0.0013773000000000, -0.0004802800000000, 0.0000695700000000 ] - [ -0.0023067700000000, 0.0004957900000000, 0.0017697500000000 ] - [ -0.0001601600000000, 0.0074645500000000, -0.0003350400000000 ] - [ 0.0012658000000000, -0.0025887900000000, 0.0001466500000000 ] - [ 0.0059009500000000, 0.0009755200000000, -0.0006927400000000 ] - [ -0.0723184200000000, -0.0689044000000000, 0.0235274700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0043806800000000, 0.0075875500000000, 0.0094475400000000 ] - [ 0.0004707700000000, 0.0000064700000000, -0.0000309100000000 ] - [ 0.0004813300000000, -0.0008336900000000, 0.0001235800000000 ] - [ -0.0002409900000000, -0.0004044600000000, -0.0000309100000000 ] - [ 0.0108430800000000, -0.0187807700000000, -0.0020486200000000 ] - [ -0.0004487300000000, 0.0000789500000000, -0.0014032000000000 ] - [ -0.0016764800000000, 0.0029037400000000, -0.0020805700000000 ] - [ 0.0001559900000000, 0.0004280800000000, -0.0014032000000000 ] - [ -0.0003149100000000, 0.0005454400000000, 0.0009971900000000 ] - [ 0.0001516000000000, 0.0003178100000000, 0.0006084900000000 ] - [ 0.0004566800000000, -0.0007909900000000, 0.0015573300000000 ] - [ -0.0003510300000000, 0.0000276100000000, 0.0006084900000000 ] - [ 0.0007052700000000, -0.0012215600000000, 0.0005377700000000 ] - [ -0.0001352900000000, -0.0008377600000000, 0.0003803700000000 ] - [ -0.0043828900000000, 0.0075913900000000, 0.0084099400000000 ] - [ 0.0007931600000000, -0.0003017100000000, 0.0003803700000000 ] - [ -0.0000156000000000, -0.0004288500000000, 0.0015970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005919600000000 ] - [ -0.0003635900000000, 0.0002279300000000, 0.0015970700000000 ] - [ 0.0003791900000000, 0.0002009100000000, 0.0015970700000000 ] - [ 0.0007793500000000, 0.0039365700000000, -0.0000737100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003591300000000 ] - [ 0.0030195000000000, -0.0026432200000000, -0.0000737100000000 ] - [ -0.0037988500000000, -0.0012933500000000, -0.0000737100000000 ] - [ 0.0087613500000000, 0.0000000000000000, 0.0094475400000000 ] - [ -0.0009626600000000, 0.0000000000000000, 0.0001235800000000 ] - [ -0.0002297800000000, 0.0004109300000000, -0.0000309100000000 ] - [ -0.0002297800000000, -0.0004109300000000, -0.0000309100000000 ] - [ -0.0216861700000000, 0.0000000000000000, -0.0020486200000000 ] - [ 0.0033529500000000, 0.0000000000000000, -0.0020805700000000 ] - [ 0.0002927300000000, -0.0003491400000000, -0.0014032000000000 ] - [ 0.0002927300000000, 0.0003491400000000, -0.0014032000000000 ] - [ 0.0006298200000000, 0.0000000000000000, 0.0009971900000000 ] - [ -0.0009133500000000, 0.0000000000000000, 0.0015573300000000 ] - [ 0.0001994300000000, 0.0002902000000000, 0.0006084900000000 ] - [ 0.0001994300000000, -0.0002902000000000, 0.0006084900000000 ] - [ -0.0043828900000000, -0.0075913900000000, 0.0084099400000000 ] - [ 0.0007931600000000, 0.0003017100000000, 0.0003803700000000 ] - [ -0.0001352900000000, 0.0008377600000000, 0.0003803700000000 ] - [ 0.0007052700000000, 0.0012215600000000, 0.0005377700000000 ] - [ -0.0014105400000000, 0.0000000000000000, 0.0005377700000000 ] - [ 0.0087657800000000, 0.0000000000000000, 0.0084099400000000 ] - [ -0.0006578700000000, -0.0005360400000000, 0.0003803700000000 ] - [ -0.0006578700000000, 0.0005360400000000, 0.0003803700000000 ] - [ 0.0004566800000000, 0.0007909900000000, 0.0015573300000000 ] - [ -0.0003510300000000, -0.0000276100000000, 0.0006084900000000 ] - [ 0.0001516000000000, -0.0003178100000000, 0.0006084900000000 ] - [ -0.0003149100000000, -0.0005454400000000, 0.0009971900000000 ] - [ 0.0030195000000000, 0.0026432200000000, -0.0000737100000000 ] - [ -0.0037988500000000, 0.0012933500000000, -0.0000737100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003591300000000 ] - [ 0.0007793500000000, -0.0039365700000000, -0.0000737100000000 ] - [ -0.0003635900000000, -0.0002279300000000, 0.0015970700000000 ] - [ 0.0003791900000000, -0.0002009100000000, 0.0015970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005919600000000 ] - [ -0.0000156000000000, 0.0004288500000000, 0.0015970700000000 ] - [ -0.0016764800000000, -0.0029037400000000, -0.0020805700000000 ] - [ 0.0001559900000000, -0.0004280800000000, -0.0014032000000000 ] - [ -0.0004487300000000, -0.0000789500000000, -0.0014032000000000 ] - [ 0.0108430800000000, 0.0187807700000000, -0.0020486200000000 ] - [ 0.0004813300000000, 0.0008336900000000, 0.0001235800000000 ] - [ -0.0002409900000000, 0.0004044600000000, -0.0000309100000000 ] - [ 0.0004707700000000, -0.0000064700000000, -0.0000309100000000 ] - [ -0.0043806800000000, -0.0075875500000000, 0.0094475400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3339156200000000 ] - [ 0.0001532500000000, 0.0000000000000000, -0.0030735400000000 ] - [ -0.0000766200000000, 0.0001327100000000, -0.0030735400000000 ] - [ -0.0000766200000000, -0.0001327100000000, -0.0030735400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0148508700000000 ] - [ -0.0001977100000000, 0.0000000000000000, 0.0021863000000000 ] - [ 0.0000988600000000, -0.0001712200000000, 0.0021863000000000 ] - [ 0.0000988600000000, 0.0001712200000000, 0.0021863000000000 ] - [ -0.0248124300000000, 0.0429763800000000, 0.0467512300000000 ] - [ -0.0008911200000000, -0.0005134700000000, 0.0008388000000000 ] - [ -0.0011403600000000, 0.0019751600000000, 0.0016863000000000 ] - [ 0.0008902400000000, 0.0005150000000000, 0.0008388000000000 ] - [ -0.0005307600000000, 0.0009193100000000, -0.0017465100000000 ] - [ -0.0002322800000000, 0.0006833400000000, -0.0012795400000000 ] - [ -0.0008408500000000, 0.0014563900000000, -0.0051490500000000 ] - [ -0.0004756500000000, 0.0005428400000000, -0.0012795400000000 ] - [ -0.0003905200000000, 0.0068872700000000, -0.0000482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005000600000000 ] - [ 0.0061598100000000, -0.0031054400000000, -0.0000482600000000 ] - [ -0.0057692900000000, -0.0037818400000000, -0.0000482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1659397700000000 ] - [ -0.0001059500000000, 0.0000000000000000, 0.0029210500000000 ] - [ 0.0000529700000000, -0.0000917500000000, 0.0029210500000000 ] - [ 0.0000529700000000, 0.0000917500000000, 0.0029210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0177872800000000 ] - [ 0.0000008400000000, 0.0000000000000000, -0.0013162900000000 ] - [ -0.0000004200000000, 0.0000007300000000, -0.0013162900000000 ] - [ -0.0000004200000000, -0.0000007300000000, -0.0013162900000000 ] - [ -0.0002234800000000, -0.0023160300000000, -0.0018304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003581600000000 ] - [ -0.0018940000000000, 0.0013515500000000, -0.0018304600000000 ] - [ 0.0021174800000000, 0.0009644800000000, -0.0018304600000000 ] - [ 0.0496248500000000, 0.0000000000000000, 0.0467512300000000 ] - [ 0.0022807200000000, 0.0000000000000000, 0.0016863000000000 ] - [ 0.0000008800000000, -0.0010284700000000, 0.0008388000000000 ] - [ 0.0000008800000000, 0.0010284700000000, 0.0008388000000000 ] - [ -0.0008408500000000, -0.0014563900000000, -0.0051490500000000 ] - [ -0.0004756500000000, -0.0005428400000000, -0.0012795400000000 ] - [ -0.0002322800000000, -0.0006833400000000, -0.0012795400000000 ] - [ -0.0005307600000000, -0.0009193100000000, -0.0017465100000000 ] - [ 0.0010615300000000, 0.0000000000000000, -0.0017465100000000 ] - [ 0.0016816900000000, 0.0000000000000000, -0.0051490500000000 ] - [ 0.0007079400000000, 0.0001405100000000, -0.0012795400000000 ] - [ 0.0007079400000000, -0.0001405100000000, -0.0012795400000000 ] - [ -0.0018940000000000, -0.0013515500000000, -0.0018304600000000 ] - [ 0.0021174800000000, -0.0009644800000000, -0.0018304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003581600000000 ] - [ -0.0002234800000000, 0.0023160300000000, -0.0018304600000000 ] - [ 0.0061598100000000, 0.0031054400000000, -0.0000482600000000 ] - [ -0.0057692900000000, 0.0037818400000000, -0.0000482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005000600000000 ] - [ -0.0003905200000000, -0.0068872700000000, -0.0000482600000000 ] - [ -0.0011403600000000, -0.0019751600000000, 0.0016863000000000 ] - [ 0.0008902400000000, -0.0005150000000000, 0.0008388000000000 ] - [ -0.0008911200000000, 0.0005134700000000, 0.0008388000000000 ] - [ -0.0248124300000000, -0.0429763800000000, 0.0467512300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0042668200000000, -0.0073903400000000, -0.0094574300000000 ] - [ -0.0005171000000000, 0.0000733200000000, -0.0000342800000000 ] - [ -0.0005298400000000, 0.0009177200000000, -0.0001927000000000 ] - [ 0.0001950500000000, 0.0004844800000000, -0.0000342800000000 ] - [ -0.0109369500000000, 0.0189433500000000, 0.0020813600000000 ] - [ 0.0004961800000000, -0.0001563400000000, 0.0013501700000000 ] - [ 0.0017219200000000, -0.0029824500000000, 0.0020572800000000 ] - [ -0.0001127000000000, -0.0005078700000000, 0.0013501700000000 ] - [ 0.0002683400000000, -0.0004647900000000, -0.0010815300000000 ] - [ -0.0001924800000000, -0.0002434000000000, -0.0006859800000000 ] - [ -0.0004859000000000, 0.0008416100000000, -0.0016460400000000 ] - [ 0.0003070400000000, 0.0000449900000000, -0.0006859800000000 ] - [ -0.0006662700000000, 0.0011540200000000, -0.0005797600000000 ] - [ 0.0001844500000000, 0.0007706000000000, -0.0004285700000000 ] - [ 0.0044940600000000, -0.0077839400000000, -0.0085524000000000 ] - [ -0.0007595800000000, 0.0002255600000000, -0.0004285700000000 ] - [ 0.0000123000000000, 0.0004453200000000, -0.0016505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006411000000000 ] - [ 0.0003795100000000, -0.0002333200000000, -0.0016505900000000 ] - [ -0.0003918100000000, -0.0002120100000000, -0.0016505900000000 ] - [ -0.0007955100000000, -0.0039817300000000, -0.0000211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003067700000000 ] - [ -0.0030505200000000, 0.0026797900000000, -0.0000211300000000 ] - [ 0.0038460300000000, 0.0013019300000000, -0.0000211300000000 ] - [ -0.0085336300000000, 0.0000000000000000, -0.0094574300000000 ] - [ 0.0010596900000000, 0.0000000000000000, -0.0001927000000000 ] - [ 0.0003220500000000, -0.0004111600000000, -0.0000342800000000 ] - [ 0.0003220500000000, 0.0004111600000000, -0.0000342800000000 ] - [ 0.0218738900000000, 0.0000000000000000, 0.0020813600000000 ] - [ -0.0034438400000000, 0.0000000000000000, 0.0020572800000000 ] - [ -0.0003834800000000, 0.0003515300000000, 0.0013501700000000 ] - [ -0.0003834800000000, -0.0003515300000000, 0.0013501700000000 ] - [ -0.0005366900000000, 0.0000000000000000, -0.0010815300000000 ] - [ 0.0009718000000000, 0.0000000000000000, -0.0016460400000000 ] - [ -0.0001145500000000, -0.0002884000000000, -0.0006859800000000 ] - [ -0.0001145500000000, 0.0002884000000000, -0.0006859800000000 ] - [ 0.0044940600000000, 0.0077839400000000, -0.0085524000000000 ] - [ -0.0007595800000000, -0.0002255600000000, -0.0004285700000000 ] - [ 0.0001844500000000, -0.0007706000000000, -0.0004285700000000 ] - [ -0.0006662700000000, -0.0011540200000000, -0.0005797600000000 ] - [ 0.0013325500000000, 0.0000000000000000, -0.0005797600000000 ] - [ -0.0089881200000000, 0.0000000000000000, -0.0085524000000000 ] - [ 0.0005751300000000, 0.0005450400000000, -0.0004285700000000 ] - [ 0.0005751300000000, -0.0005450400000000, -0.0004285700000000 ] - [ -0.0004859000000000, -0.0008416100000000, -0.0016460400000000 ] - [ 0.0003070400000000, -0.0000449900000000, -0.0006859800000000 ] - [ -0.0001924800000000, 0.0002434000000000, -0.0006859800000000 ] - [ 0.0002683400000000, 0.0004647900000000, -0.0010815300000000 ] - [ -0.0030505200000000, -0.0026797900000000, -0.0000211300000000 ] - [ 0.0038460300000000, -0.0013019300000000, -0.0000211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003067700000000 ] - [ -0.0007955100000000, 0.0039817300000000, -0.0000211300000000 ] - [ 0.0003795100000000, 0.0002333200000000, -0.0016505900000000 ] - [ -0.0003918100000000, 0.0002120100000000, -0.0016505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006411000000000 ] - [ 0.0000123000000000, -0.0004453200000000, -0.0016505900000000 ] - [ 0.0017219200000000, 0.0029824500000000, 0.0020572800000000 ] - [ -0.0001127000000000, 0.0005078700000000, 0.0013501700000000 ] - [ 0.0004961800000000, 0.0001563400000000, 0.0013501700000000 ] - [ -0.0109369500000000, -0.0189433500000000, 0.0020813600000000 ] - [ -0.0005298400000000, -0.0009177200000000, -0.0001927000000000 ] - [ 0.0001950500000000, -0.0004844800000000, -0.0000342800000000 ] - [ -0.0005171000000000, -0.0000733200000000, -0.0000342800000000 ] - [ 0.0042668200000000, 0.0073903400000000, -0.0094574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3470690800000000 ] - [ -0.0001657300000000, 0.0000000000000000, 0.0033309300000000 ] - [ 0.0000828700000000, -0.0001435300000000, 0.0033309300000000 ] - [ 0.0000828700000000, 0.0001435300000000, 0.0033309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0146039700000000 ] - [ 0.0002058800000000, 0.0000000000000000, -0.0019915400000000 ] - [ -0.0001029400000000, 0.0001783000000000, -0.0019915400000000 ] - [ -0.0001029400000000, -0.0001783000000000, -0.0019915400000000 ] - [ 0.0248620700000000, -0.0430623600000000, -0.0477363900000000 ] - [ 0.0012812400000000, -0.0000917900000000, -0.0010604400000000 ] - [ 0.0015241000000000, -0.0026398200000000, -0.0019106700000000 ] - [ -0.0005611300000000, -0.0011554900000000, -0.0010604400000000 ] - [ 0.0001817400000000, -0.0003147800000000, 0.0015316300000000 ] - [ -0.0001366600000000, -0.0000606800000000, 0.0010620100000000 ] - [ 0.0004451500000000, -0.0007710200000000, 0.0049410800000000 ] - [ 0.0001208800000000, 0.0000880100000000, 0.0010620100000000 ] - [ 0.0003955600000000, -0.0069635800000000, 0.0001627300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003730500000000 ] - [ -0.0062284200000000, 0.0031392200000000, 0.0001627300000000 ] - [ 0.0058328500000000, 0.0038243600000000, 0.0001627300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1758651600000000 ] - [ 0.0000984300000000, 0.0000000000000000, -0.0023324300000000 ] - [ -0.0000492100000000, 0.0000852400000000, -0.0023324300000000 ] - [ -0.0000492100000000, -0.0000852400000000, -0.0023324300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0182394000000000 ] - [ -0.0000030700000000, 0.0000000000000000, 0.0019825100000000 ] - [ 0.0000015400000000, -0.0000026600000000, 0.0019825100000000 ] - [ 0.0000015400000000, 0.0000026600000000, 0.0019825100000000 ] - [ 0.0002160700000000, 0.0022968600000000, 0.0020106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005081200000000 ] - [ 0.0018811100000000, -0.0013355500000000, 0.0020106700000000 ] - [ -0.0020971800000000, -0.0009613100000000, 0.0020106700000000 ] - [ -0.0497241400000000, 0.0000000000000000, -0.0477363900000000 ] - [ -0.0030482000000000, 0.0000000000000000, -0.0019106700000000 ] - [ -0.0007201200000000, 0.0010637000000000, -0.0010604400000000 ] - [ -0.0007201200000000, -0.0010637000000000, -0.0010604400000000 ] - [ 0.0004451500000000, 0.0007710200000000, 0.0049410800000000 ] - [ 0.0001208800000000, -0.0000880100000000, 0.0010620100000000 ] - [ -0.0001366600000000, 0.0000606800000000, 0.0010620100000000 ] - [ 0.0001817400000000, 0.0003147800000000, 0.0015316300000000 ] - [ -0.0003634700000000, 0.0000000000000000, 0.0015316300000000 ] - [ -0.0008903000000000, 0.0000000000000000, 0.0049410800000000 ] - [ 0.0000157800000000, -0.0001486900000000, 0.0010620100000000 ] - [ 0.0000157800000000, 0.0001486900000000, 0.0010620100000000 ] - [ 0.0018811100000000, 0.0013355500000000, 0.0020106700000000 ] - [ -0.0020971800000000, 0.0009613100000000, 0.0020106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005081200000000 ] - [ 0.0002160700000000, -0.0022968600000000, 0.0020106700000000 ] - [ -0.0062284200000000, -0.0031392200000000, 0.0001627300000000 ] - [ 0.0058328500000000, -0.0038243600000000, 0.0001627300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003730500000000 ] - [ 0.0003955600000000, 0.0069635800000000, 0.0001627300000000 ] - [ 0.0015241000000000, 0.0026398200000000, -0.0019106700000000 ] - [ -0.0005611300000000, 0.0011554900000000, -0.0010604400000000 ] - [ 0.0012812400000000, 0.0000917900000000, -0.0010604400000000 ] - [ 0.0248620700000000, 0.0430623600000000, -0.0477363900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0076807600000000, -0.0004183000000000, 0.0027799600000000 ] - [ -0.0009014600000000, 0.0000078100000000, 0.0001211400000000 ] - [ -0.0002820600000000, 0.0006880000000000, 0.0001440600000000 ] - [ 0.0001849000000000, -0.0001588100000000, -0.0003447200000000 ] - [ 0.0082611000000000, -0.0006514200000000, -0.0020957200000000 ] - [ -0.0008610400000000, 0.0000808400000000, -0.0001820600000000 ] - [ -0.0006139200000000, 0.0011983400000000, -0.0000375100000000 ] - [ 0.0003758400000000, -0.0003963700000000, 0.0000733300000000 ] - [ 0.0010389800000000, 0.0008998300000000, 0.0007574100000000 ] - [ -0.0004860200000000, -0.0000762500000000, -0.0000643800000000 ] - [ -0.0001022100000000, 0.0002163100000000, -0.0001909200000000 ] - [ 0.0000077600000000, -0.0001753400000000, 0.0000031700000000 ] - [ 0.0008625700000000, 0.0006352800000000, -0.0006176100000000 ] - [ -0.0004323200000000, -0.0001426000000000, 0.0001193000000000 ] - [ -0.0006660900000000, 0.0010940600000000, 0.0009975800000000 ] - [ 0.0000772600000000, -0.0004172500000000, -0.0000824500000000 ] - [ 0.0003708200000000, -0.0000913700000000, 0.0001550300000000 ] - [ -0.0003299600000000, 0.0001851900000000, -0.0000304300000000 ] - [ -0.0002742900000000, 0.0001233900000000, 0.0002141300000000 ] - [ 0.0002513400000000, -0.0001035700000000, 0.0000445500000000 ] - [ 0.0098636000000000, 0.0069987100000000, 0.0023570100000000 ] - [ -0.0013321200000000, 0.0003649600000000, 0.0000515500000000 ] - [ -0.0016258900000000, 0.0020276500000000, -0.0005691800000000 ] - [ 0.0018530600000000, -0.0021355600000000, -0.0001853900000000 ] - [ -0.0007302200000000, 0.0006004200000000, -0.0026610200000000 ] - [ -0.0010101800000000, -0.0015218500000000, 0.0009049200000000 ] - [ 0.0005934800000000, 0.0003639200000000, 0.0005486100000000 ] - [ -0.0002199500000000, 0.0003573900000000, -0.0002967200000000 ] - [ -0.0019230100000000, 0.0001234500000000, 0.0017369700000000 ] - [ -0.0013481800000000, -0.0023291500000000, -0.0019551500000000 ] - [ 0.0007471200000000, 0.0000011900000000, -0.0005422000000000 ] - [ -0.0005559800000000, 0.0005287900000000, -0.0000122700000000 ] - [ -0.0003985400000000, 0.0001005100000000, -0.0003077200000000 ] - [ 0.0007398700000000, -0.0012371800000000, 0.0008129600000000 ] - [ 0.0001569800000000, -0.0000855600000000, -0.0000190600000000 ] - [ -0.0002001400000000, 0.0004139200000000, -0.0000177700000000 ] - [ -0.0004355900000000, -0.0011435300000000, 0.0011467100000000 ] - [ -0.0008550400000000, 0.0000579600000000, -0.0002626200000000 ] - [ 0.0000276900000000, 0.0005406900000000, -0.0001144200000000 ] - [ 0.0001909600000000, -0.0000128000000000, 0.0002295800000000 ] - [ -0.0007869600000000, 0.0000562200000000, 0.0001190100000000 ] - [ 0.0021290000000000, -0.0010147300000000, 0.0000977900000000 ] - [ 0.0000954400000000, -0.0002342000000000, 0.0001003800000000 ] - [ -0.0005234500000000, 0.0004863800000000, -0.0001158600000000 ] - [ 0.0001695200000000, -0.0002848500000000, -0.0003116500000000 ] - [ -0.0010333000000000, 0.0001178900000000, 0.0004462800000000 ] - [ -0.0001145700000000, 0.0001976400000000, -0.0000978200000000 ] - [ 0.0001920000000000, -0.0000745100000000, -0.0001173300000000 ] - [ -0.0028426300000000, -0.0013149700000000, -0.0006610900000000 ] - [ 0.0133677700000000, -0.0004517000000000, -0.0027421800000000 ] - [ 0.0005986600000000, 0.0000092600000000, 0.0000744600000000 ] - [ -0.0012039100000000, 0.0016843700000000, -0.0004170700000000 ] - [ -0.0002363800000000, 0.0000541600000000, 0.0002454500000000 ] - [ 0.0003281300000000, -0.0002049400000000, -0.0003829500000000 ] - [ 0.0000750200000000, -0.0000991900000000, 0.0000347700000000 ] - [ -0.0000294300000000, 0.0003074200000000, 0.0001797200000000 ] - [ -0.0009034600000000, -0.0013770000000000, 0.0013713800000000 ] - [ -0.0014898400000000, 0.0009600800000000, -0.0011551700000000 ] - [ -0.0004122800000000, 0.0000961200000000, -0.0002835000000000 ] - [ 0.0012104900000000, 0.0009865300000000, 0.0010949200000000 ] - [ -0.0001925800000000, -0.0005731900000000, -0.0009072500000000 ] - [ -0.0010960800000000, 0.0013931900000000, 0.0009680300000000 ] - [ -0.0004962100000000, -0.0000915700000000, 0.0001314100000000 ] - [ 0.0005873700000000, -0.0005665000000000, -0.0017189900000000 ] - [ 0.0724672100000000, -0.0689780400000000, -0.0250621900000000 ] - [ -0.0057111600000000, -0.0002263900000000, -0.0009551700000000 ] - [ 0.0003537400000000, 0.0071507200000000, -0.0012083200000000 ] - [ -0.0010739500000000, -0.0020394400000000, 0.0008406900000000 ] - [ 0.0011817500000000, -0.0001893400000000, 0.0007790300000000 ] - [ -0.0011444000000000, -0.0008690300000000, 0.0004235600000000 ] - [ -0.0001757300000000, 0.0010009400000000, 0.0004801000000000 ] - [ 0.0000300600000000, -0.0000363900000000, 0.0001657700000000 ] - [ -0.1101352000000000, 0.0743935200000000, 0.0310667200000000 ] - [ 0.0025686800000000, -0.0014556900000000, -0.0004745600000000 ] - [ 0.0020051100000000, -0.0038060600000000, -0.0005580500000000 ] - [ -0.0011089200000000, 0.0006612300000000, 0.0002392600000000 ] - [ -0.0007208900000000, -0.0004389400000000, -0.0000662300000000 ] - [ 0.0002190200000000, 0.0003093800000000, -0.0002136100000000 ] - [ -0.0001155000000000, 0.0001369500000000, -0.0006589000000000 ] - [ -0.0003883500000000, 0.0006759900000000, -0.0001755700000000 ] - [ -0.0021735300000000, 0.0012142800000000, -0.0007257300000000 ] - [ 0.0013367500000000, -0.0004923200000000, 0.0003316600000000 ] - [ 0.0013311700000000, -0.0010420800000000, -0.0007042500000000 ] - [ -0.0013365300000000, 0.0009125500000000, -0.0001436700000000 ] - [ -0.0031320600000000, 0.0010468500000000, -0.0125277300000000 ] - [ 0.0008434000000000, 0.0003268500000000, 0.0014919000000000 ] - [ 0.0000701800000000, -0.0009901800000000, 0.0016021300000000 ] - [ 0.0000350900000000, 0.0001209600000000, -0.0006212800000000 ] - [ -0.0013516500000000, 0.0003110100000000, 0.0018694200000000 ] - [ 0.0009349600000000, 0.0003912300000000, -0.0001803000000000 ] - [ -0.0000512700000000, -0.0009583300000000, -0.0004092100000000 ] - [ 0.0000291500000000, 0.0001434700000000, 0.0005927900000000 ] - [ -0.0026289500000000, 0.0009422500000000, 0.0012651100000000 ] - [ 0.0014354300000000, -0.0006301700000000, -0.0002756200000000 ] - [ 0.0008223000000000, -0.0008670500000000, 0.0008511800000000 ] - [ -0.0009436300000000, 0.0014253100000000, 0.0004065300000000 ] - [ 0.0110183800000000, -0.0069600200000000, -0.0004085300000000 ] - [ 0.0080999500000000, 0.0043709200000000, 0.0005846400000000 ] - [ -0.0022127900000000, -0.0016041900000000, -0.0003640700000000 ] - [ 0.0012008000000000, -0.0008623200000000, 0.0002028300000000 ] - [ -0.0003071400000000, -0.0000804300000000, -0.0006814100000000 ] - [ 0.0008090400000000, 0.0002073100000000, 0.0000189200000000 ] - [ -0.0002989300000000, -0.0009239200000000, -0.0002431200000000 ] - [ -0.0002957600000000, -0.0002615500000000, -0.0002336800000000 ] - [ 0.0013980700000000, -0.0000924000000000, -0.0003680400000000 ] - [ -0.0012858800000000, 0.0006274400000000, -0.0003783000000000 ] - [ 0.0001305200000000, 0.0001377600000000, -0.0001860700000000 ] - [ 0.0008379700000000, -0.0004179700000000, -0.0001875600000000 ] - [ 0.0011293900000000, 0.0004714200000000, 0.0012679400000000 ] - [ 0.0032455600000000, -0.0001755200000000, -0.0080011100000000 ] - [ -0.0002134100000000, 0.0000667900000000, -0.0001120400000000 ] - [ 0.0003342400000000, -0.0008729700000000, 0.0007376800000000 ] - [ 0.0015422400000000, 0.0005475100000000, -0.0010642000000000 ] - [ 0.0008203400000000, 0.0003565900000000, 0.0057046400000000 ] - [ -0.0002590100000000, 0.0001430200000000, 0.0002160300000000 ] - [ 0.0003527900000000, -0.0014348500000000, -0.0005700000000000 ] - [ 0.0038489400000000, 0.0051402500000000, -0.0001337900000000 ] - [ 0.0038377000000000, -0.0067867000000000, 0.0006985900000000 ] - [ 0.0019021500000000, 0.0012952700000000, -0.0004287900000000 ] - [ -0.0141996600000000, -0.0076091000000000, 0.0079226200000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0077542700000000, 0.0005362900000000, -0.0028849500000000 ] - [ 0.0008770000000000, 0.0000956900000000, -0.0001887900000000 ] - [ 0.0002491700000000, -0.0005822800000000, -0.0001957100000000 ] - [ -0.0002049900000000, 0.0002623000000000, 0.0002874000000000 ] - [ -0.0082416700000000, 0.0006064300000000, 0.0020112500000000 ] - [ 0.0009131400000000, -0.0001397700000000, 0.0001160000000000 ] - [ 0.0006589900000000, -0.0012624400000000, -0.0000495800000000 ] - [ -0.0003392700000000, 0.0003274900000000, -0.0001437900000000 ] - [ -0.0010946700000000, -0.0008389800000000, -0.0008559700000000 ] - [ 0.0004400500000000, 0.0001472000000000, -0.0000138100000000 ] - [ 0.0000548200000000, -0.0001652900000000, 0.0001114100000000 ] - [ -0.0000521600000000, 0.0002298600000000, -0.0000874000000000 ] - [ -0.0008422300000000, -0.0007461300000000, 0.0005743200000000 ] - [ 0.0004628000000000, 0.0000423800000000, -0.0001784900000000 ] - [ 0.0006943100000000, -0.0012088300000000, -0.0010588400000000 ] - [ -0.0000621700000000, 0.0003146000000000, 0.0000283800000000 ] - [ -0.0003296600000000, 0.0001253500000000, -0.0001849800000000 ] - [ 0.0003573900000000, -0.0001457400000000, 0.0000012800000000 ] - [ 0.0003009400000000, -0.0000831900000000, -0.0002425400000000 ] - [ -0.0002216000000000, 0.0001447100000000, -0.0000827600000000 ] - [ -0.0098580000000000, -0.0067677400000000, -0.0023114500000000 ] - [ 0.0013212300000000, -0.0004235000000000, -0.0000897200000000 ] - [ 0.0016119400000000, -0.0020669400000000, 0.0005357900000000 ] - [ -0.0018724300000000, 0.0020951600000000, 0.0001570400000000 ] - [ 0.0008475300000000, -0.0005746100000000, 0.0025987600000000 ] - [ 0.0011270500000000, 0.0015572600000000, -0.0009737100000000 ] - [ -0.0004863000000000, -0.0003164700000000, -0.0006040000000000 ] - [ 0.0003144500000000, -0.0003100400000000, 0.0002556700000000 ] - [ 0.0018528600000000, -0.0001273200000000, -0.0018167400000000 ] - [ 0.0012797100000000, 0.0023579400000000, 0.0018877700000000 ] - [ -0.0008207400000000, 0.0000049800000000, 0.0004477600000000 ] - [ 0.0004855200000000, -0.0005238500000000, -0.0000830800000000 ] - [ 0.0004841300000000, -0.0001072100000000, 0.0002222800000000 ] - [ -0.0006741100000000, 0.0012260000000000, -0.0008926300000000 ] - [ -0.0000837400000000, 0.0000963900000000, -0.0000605800000000 ] - [ 0.0002769900000000, -0.0004011600000000, -0.0000641100000000 ] - [ 0.0004820300000000, 0.0012261000000000, -0.0012163900000000 ] - [ 0.0009060500000000, 0.0000127800000000, 0.0002067400000000 ] - [ 0.0000165200000000, -0.0004641700000000, 0.0000570700000000 ] - [ -0.0001435600000000, 0.0000780300000000, -0.0002905700000000 ] - [ 0.0006824700000000, -0.0000944300000000, -0.0001740600000000 ] - [ -0.0022495200000000, 0.0009913600000000, -0.0001599000000000 ] - [ -0.0002026800000000, 0.0002008300000000, -0.0001540300000000 ] - [ 0.0004152700000000, -0.0005170200000000, 0.0000631100000000 ] - [ -0.0002148500000000, 0.0002034400000000, 0.0002650900000000 ] - [ 0.0010023200000000, -0.0001983700000000, -0.0005139000000000 ] - [ 0.0000842100000000, -0.0002774400000000, 0.0000266200000000 ] - [ -0.0002345000000000, -0.0000011500000000, 0.0000420300000000 ] - [ 0.0028223100000000, 0.0012696600000000, 0.0006204000000000 ] - [ -0.0148190300000000, 0.0004843300000000, 0.0031053600000000 ] - [ -0.0006164500000000, -0.0000398900000000, -0.0000932900000000 ] - [ 0.0011716800000000, -0.0017094300000000, 0.0003987900000000 ] - [ 0.0002521100000000, -0.0000123200000000, -0.0002826100000000 ] - [ -0.0003131900000000, 0.0002339400000000, 0.0003615600000000 ] - [ -0.0000561700000000, 0.0001415600000000, -0.0000641400000000 ] - [ 0.0000482400000000, -0.0002607200000000, -0.0002073000000000 ] - [ 0.0009415300000000, 0.0014520400000000, -0.0014434100000000 ] - [ 0.0015476600000000, -0.0008928400000000, 0.0011003400000000 ] - [ 0.0004550800000000, -0.0000163500000000, 0.0002214600000000 ] - [ -0.0011601400000000, -0.0009105700000000, -0.0011471700000000 ] - [ 0.0001637300000000, 0.0005145700000000, 0.0008545100000000 ] - [ 0.0010653500000000, -0.0014828500000000, -0.0010385400000000 ] - [ 0.0004584100000000, 0.0000053600000000, -0.0001939100000000 ] - [ -0.0006446900000000, 0.0004683600000000, 0.0016536300000000 ] - [ -0.0721117700000000, 0.0670775400000000, 0.0246200400000000 ] - [ 0.0057289400000000, 0.0002343300000000, 0.0012027100000000 ] - [ -0.0003952200000000, -0.0071812400000000, 0.0014420600000000 ] - [ 0.0010683600000000, 0.0020566400000000, -0.0006182800000000 ] - [ -0.0011877900000000, 0.0001895500000000, -0.0005155900000000 ] - [ 0.0011549700000000, 0.0008578900000000, -0.0001845000000000 ] - [ 0.0001657400000000, -0.0009874200000000, -0.0002510200000000 ] - [ -0.0000278800000000, 0.0000463300000000, 0.0000592000000000 ] - [ 0.1117174700000000, -0.0733110000000000, -0.0310054200000000 ] - [ -0.0022027400000000, 0.0009106600000000, 0.0003223100000000 ] - [ -0.0016399100000000, 0.0032571300000000, 0.0003794300000000 ] - [ 0.0014754200000000, -0.0012258700000000, -0.0004439600000000 ] - [ 0.0003657700000000, 0.0009738300000000, -0.0001228800000000 ] - [ -0.0005818500000000, 0.0002228500000000, 0.0000248600000000 ] - [ -0.0002740700000000, 0.0004443800000000, 0.0004824000000000 ] - [ -0.0000065200000000, -0.0001000300000000, -0.0000025700000000 ] - [ 0.0022032600000000, -0.0011868300000000, 0.0008428100000000 ] - [ -0.0013272700000000, 0.0005576000000000, -0.0002644600000000 ] - [ -0.0013409500000000, 0.0010819700000000, 0.0007909300000000 ] - [ 0.0013345800000000, -0.0008532900000000, 0.0002586700000000 ] - [ 0.0031136800000000, -0.0010073800000000, 0.0131367100000000 ] - [ -0.0008291100000000, -0.0003186100000000, -0.0009029000000000 ] - [ -0.0000534900000000, 0.0009963400000000, -0.0010116800000000 ] - [ -0.0000328700000000, -0.0001247700000000, 0.0012381300000000 ] - [ 0.0013440200000000, -0.0003034000000000, -0.0012764300000000 ] - [ -0.0009516700000000, -0.0003895900000000, 0.0008124300000000 ] - [ 0.0000592900000000, 0.0009474800000000, 0.0010123000000000 ] - [ -0.0000240200000000, -0.0001580400000000, 0.0000131900000000 ] - [ 0.0025429500000000, -0.0010114200000000, -0.0012155200000000 ] - [ -0.0014573200000000, 0.0005911800000000, 0.0003811300000000 ] - [ -0.0008203500000000, 0.0008964200000000, -0.0007478600000000 ] - [ 0.0009640700000000, -0.0014566300000000, -0.0003347100000000 ] - [ -0.0116393300000000, 0.0068647500000000, 0.0001759800000000 ] - [ -0.0088070400000000, -0.0043547100000000, -0.0007881200000000 ] - [ 0.0015919300000000, 0.0016314500000000, 0.0001843000000000 ] - [ -0.0018750800000000, 0.0009070700000000, -0.0004048700000000 ] - [ -0.0000608100000000, -0.0005428400000000, 0.0004974100000000 ] - [ -0.0011620000000000, -0.0008306600000000, -0.0002289700000000 ] - [ -0.0000433300000000, 0.0003152700000000, 0.0000560800000000 ] - [ -0.0000466800000000, -0.0003377400000000, 0.0000340200000000 ] - [ -0.0007378400000000, 0.0000501000000000, 0.0001569100000000 ] - [ 0.0019920200000000, -0.0006652200000000, 0.0002142700000000 ] - [ 0.0005228900000000, -0.0001829700000000, 0.0000272000000000 ] - [ -0.0001698500000000, 0.0003776800000000, 0.0000072200000000 ] - [ -0.0011124800000000, -0.0005288600000000, -0.0011538600000000 ] - [ -0.0032401600000000, 0.0002015700000000, 0.0081341300000000 ] - [ 0.0001594100000000, -0.0000958700000000, 0.0001608300000000 ] - [ -0.0003557300000000, 0.0008565400000000, -0.0006541400000000 ] - [ -0.0015897600000000, -0.0005205300000000, 0.0011532700000000 ] - [ -0.0008110900000000, -0.0003819300000000, -0.0056576000000000 ] - [ 0.0002761700000000, -0.0001580700000000, -0.0001208700000000 ] - [ -0.0003308100000000, 0.0014405200000000, 0.0006649400000000 ] - [ -0.0034868100000000, -0.0045141700000000, -0.0000849000000000 ] - [ -0.0035163700000000, 0.0074437100000000, -0.0008780400000000 ] - [ -0.0015565300000000, -0.0007032100000000, 0.0002465900000000 ] - [ 0.0144933700000000, 0.0082182100000000, -0.0080322700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006460100000000, 0.0011189200000000, 0.0159594500000000 ] - [ 0.0001292100000000, 0.0001650800000000, 0.0003804600000000 ] - [ 0.0000975300000000, -0.0001689300000000, 0.0003673700000000 ] - [ -0.0002075700000000, -0.0000293600000000, 0.0003804600000000 ] - [ -0.0004296100000000, 0.0007441000000000, 0.0141658200000000 ] - [ 0.0001939800000000, 0.0000240600000000, 0.0001811300000000 ] - [ 0.0003218400000000, -0.0005574400000000, 0.0000486500000000 ] - [ -0.0001178200000000, -0.0001559600000000, 0.0001811300000000 ] - [ 0.0007535500000000, -0.0013051800000000, -0.0022578900000000 ] - [ -0.0000963900000000, -0.0000244300000000, -0.0002637700000000 ] - [ -0.0003431100000000, 0.0005942900000000, 0.0000161600000000 ] - [ 0.0000693500000000, 0.0000712600000000, -0.0002637700000000 ] - [ -0.0006537100000000, 0.0011322600000000, -0.0013917100000000 ] - [ 0.0001482200000000, 0.0001575400000000, -0.0003707400000000 ] - [ 0.0005830300000000, -0.0010098400000000, -0.0015536000000000 ] - [ -0.0002105500000000, -0.0000496000000000, -0.0003707400000000 ] - [ 0.0000260300000000, -0.0000754500000000, -0.0019000400000000 ] - [ -0.0000137600000000, 0.0000230400000000, -0.0004839500000000 ] - [ -0.0000732100000000, -0.0000229500000000, -0.0005342800000000 ] - [ 0.0000566500000000, 0.0000783100000000, -0.0007057200000000 ] - [ 0.0003108600000000, 0.0002298300000000, 0.0078893100000000 ] - [ 0.0001822800000000, -0.0001089300000000, 0.0003950200000000 ] - [ 0.0006210500000000, -0.0007901600000000, 0.0004744600000000 ] - [ -0.0008020000000000, 0.0005364800000000, 0.0009607600000000 ] - [ -0.0018869200000000, 0.0012094100000000, 0.0009036000000000 ] - [ 0.0013426100000000, 0.0013295600000000, 0.0005077900000000 ] - [ 0.0006969200000000, -0.0017559300000000, 0.0004880300000000 ] - [ 0.0000338300000000, -0.0001728000000000, 0.0003168100000000 ] - [ 0.0014844700000000, -0.0001461300000000, -0.0003584200000000 ] - [ -0.0018990800000000, -0.0010807300000000, 0.0000226400000000 ] - [ -0.0002436300000000, 0.0011790900000000, 0.0005147900000000 ] - [ -0.0000568100000000, -0.0001457800000000, 0.0001455000000000 ] - [ -0.0000659700000000, 0.0001798300000000, -0.0001178800000000 ] - [ 0.0003694300000000, 0.0014764000000000, -0.0013849700000000 ] - [ -0.0003866700000000, -0.0011236500000000, -0.0007209500000000 ] - [ 0.0001943100000000, -0.0001949300000000, -0.0001493400000000 ] - [ 0.0011862200000000, 0.0002362800000000, -0.0020788500000000 ] - [ -0.0008107400000000, -0.0000691500000000, -0.0005349200000000 ] - [ 0.0000027300000000, -0.0000262700000000, -0.0003914400000000 ] - [ -0.0000546000000000, -0.0002210400000000, -0.0004564900000000 ] - [ 0.0002187300000000, -0.0000632300000000, -0.0004564900000000 ] - [ -0.0007977400000000, -0.0009091500000000, -0.0020788500000000 ] - [ 0.0004652500000000, 0.0006675400000000, -0.0005349200000000 ] - [ 0.0000213900000000, -0.0000155000000000, -0.0003914400000000 ] - [ -0.0014633100000000, 0.0004182700000000, -0.0013849700000000 ] - [ 0.0011664500000000, -0.0002269600000000, -0.0007209500000000 ] - [ 0.0000716600000000, -0.0002657400000000, -0.0001493400000000 ] - [ -0.0001227500000000, 0.0001470400000000, -0.0001178800000000 ] - [ -0.0000636000000000, 0.0009627900000000, 0.0009607600000000 ] - [ -0.0003544700000000, -0.0001543000000000, 0.0078893100000000 ] - [ 0.0000032000000000, -0.0002123300000000, 0.0003950200000000 ] - [ 0.0003737700000000, -0.0009329200000000, 0.0004744600000000 ] - [ -0.0000961400000000, -0.0000099000000000, -0.0007057200000000 ] - [ 0.0000523300000000, -0.0000602700000000, -0.0019000400000000 ] - [ -0.0000130700000000, 0.0000234400000000, -0.0004839500000000 ] - [ 0.0000564800000000, 0.0000519300000000, -0.0005342800000000 ] - [ 0.0018854800000000, 0.0011042900000000, 0.0000226400000000 ] - [ -0.0008993000000000, 0.0008005300000000, 0.0005147900000000 ] - [ 0.0001546500000000, -0.0000236900000000, 0.0001455000000000 ] - [ -0.0006156800000000, -0.0013586600000000, -0.0003584200000000 ] - [ -0.0018227400000000, -0.0004979600000000, 0.0005077900000000 ] - [ 0.0011722200000000, -0.0014815200000000, 0.0004880300000000 ] - [ 0.0001327400000000, -0.0001157000000000, 0.0003168100000000 ] - [ -0.0001039200000000, 0.0022388300000000, 0.0009036000000000 ] - [ -0.0230661600000000, 0.0399517500000000, 0.0475712400000000 ] - [ 0.0005730200000000, -0.0000232700000000, 0.0010357600000000 ] - [ 0.0002284900000000, -0.0003957500000000, 0.0018902100000000 ] - [ -0.0002663500000000, -0.0005078900000000, 0.0010357600000000 ] - [ -0.0002370800000000, 0.0004106300000000, -0.0049686300000000 ] - [ 0.0003639200000000, 0.0002235300000000, -0.0010798400000000 ] - [ 0.0002938500000000, -0.0005089700000000, -0.0015476200000000 ] - [ -0.0003755500000000, -0.0002034000000000, -0.0010798400000000 ] - [ 0.0312796300000000, -0.0541779100000000, -0.0995029300000000 ] - [ -0.0002101900000000, -0.0004987700000000, -0.0006845300000000 ] - [ -0.0002790300000000, 0.0004833000000000, -0.0004662500000000 ] - [ 0.0005370400000000, -0.0000673500000000, -0.0006845300000000 ] - [ -0.0002253900000000, 0.0003903900000000, 0.0020163200000000 ] - [ -0.0000717000000000, 0.0001601400000000, 0.0005123100000000 ] - [ 0.0003825400000000, -0.0006625800000000, 0.0012710500000000 ] - [ -0.0001028400000000, 0.0001421700000000, 0.0005123100000000 ] - [ -0.0017399300000000, -0.0036680500000000, 0.0043778900000000 ] - [ 0.0003308400000000, -0.0002301800000000, 0.0002465400000000 ] - [ -0.0009037200000000, 0.0005959900000000, 0.0007604600000000 ] - [ 0.0008535000000000, 0.0009186200000000, 0.0008915800000000 ] - [ -0.0059128200000000, 0.0102413100000000, 0.0067283600000000 ] - [ 0.0002532500000000, 0.0001708500000000, -0.0001329300000000 ] - [ 0.0003343700000000, -0.0005791400000000, -0.0004373500000000 ] - [ -0.0002745900000000, -0.0001338900000000, -0.0001329300000000 ] - [ 0.0018639100000000, -0.0032283800000000, 0.0071533400000000 ] - [ -0.0006809200000000, -0.0004008200000000, 0.0009042800000000 ] - [ -0.0006553700000000, 0.0011351400000000, 0.0012430500000000 ] - [ 0.0006875800000000, 0.0003892800000000, 0.0009042800000000 ] - [ 0.0035107300000000, 0.0067518100000000, 0.0070110600000000 ] - [ -0.0008072200000000, 0.0005501500000000, -0.0001537900000000 ] - [ 0.0000403000000000, 0.0000038000000000, -0.0006865200000000 ] - [ -0.0001397200000000, -0.0014220400000000, -0.0004331400000000 ] - [ -0.0081039700000000, -0.0047540900000000, -0.0072785800000000 ] - [ -0.0009017300000000, -0.0006024200000000, -0.0024168400000000 ] - [ -0.0010555300000000, 0.0004170200000000, -0.0024179700000000 ] - [ -0.0003588200000000, 0.0003849300000000, -0.0005444400000000 ] - [ 0.0004042400000000, 0.0003374700000000, 0.0019528700000000 ] - [ -0.0003141600000000, -0.0002974700000000, 0.0012636800000000 ] - [ -0.0000547400000000, 0.0000384700000000, 0.0004960800000000 ] - [ -0.0000372100000000, -0.0001457000000000, 0.0004950600000000 ] - [ 0.0001447900000000, -0.0000406300000000, 0.0004950600000000 ] - [ -0.0004943800000000, -0.0001813500000000, 0.0019528700000000 ] - [ 0.0004147000000000, 0.0001233400000000, 0.0012636800000000 ] - [ -0.0000059400000000, 0.0000666500000000, 0.0004960800000000 ] - [ 0.0013013900000000, -0.0005900200000000, -0.0004331400000000 ] - [ -0.0076026000000000, 0.0003355300000000, 0.0070110600000000 ] - [ -0.0000728300000000, 0.0009741500000000, -0.0001537900000000 ] - [ -0.0000234400000000, -0.0000330100000000, -0.0006865200000000 ] - [ -0.0012223000000000, -0.0002798400000000, 0.0008915800000000 ] - [ 0.0040465900000000, -0.0003272000000000, 0.0043778900000000 ] - [ 0.0000339200000000, -0.0004016100000000, 0.0002465400000000 ] - [ -0.0000642800000000, 0.0010806400000000, 0.0007604600000000 ] - [ 0.0009725700000000, 0.0004797100000000, -0.0024168400000000 ] - [ 0.0001666100000000, 0.0011226300000000, -0.0024179700000000 ] - [ -0.0001539500000000, 0.0005032100000000, -0.0005444400000000 ] - [ 0.0081691500000000, 0.0046412000000000, -0.0072785800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005843300000000, -0.0010121000000000, -0.0144698200000000 ] - [ -0.0001752400000000, -0.0000868500000000, -0.0004455400000000 ] - [ -0.0001368700000000, 0.0002370600000000, -0.0004229900000000 ] - [ 0.0001628300000000, 0.0001083400000000, -0.0004455400000000 ] - [ 0.0003109200000000, -0.0005385300000000, -0.0154515600000000 ] - [ -0.0001395000000000, -0.0001022000000000, -0.0002478800000000 ] - [ -0.0002746800000000, 0.0004757500000000, -0.0001262600000000 ] - [ 0.0001582600000000, 0.0000697100000000, -0.0002478800000000 ] - [ -0.0007891900000000, 0.0013669100000000, 0.0021698000000000 ] - [ 0.0000496200000000, 0.0001005900000000, 0.0001950300000000 ] - [ 0.0002860000000000, -0.0004953700000000, -0.0000702500000000 ] - [ -0.0001119200000000, 0.0000073300000000, 0.0001950300000000 ] - [ 0.0007041500000000, -0.0012196200000000, 0.0013177900000000 ] - [ -0.0000976600000000, -0.0002324800000000, 0.0003041600000000 ] - [ -0.0005372300000000, 0.0009305000000000, 0.0014816200000000 ] - [ 0.0002501600000000, -0.0000316600000000, 0.0003041600000000 ] - [ -0.0000351200000000, 0.0000923400000000, 0.0018580900000000 ] - [ 0.0000093500000000, 0.0000033200000000, 0.0004442700000000 ] - [ 0.0000667700000000, 0.0000390200000000, 0.0004934000000000 ] - [ -0.0000629200000000, -0.0000514300000000, 0.0006601900000000 ] - [ -0.0002954100000000, -0.0002542400000000, -0.0079537600000000 ] - [ -0.0001680500000000, 0.0000900700000000, -0.0004314200000000 ] - [ -0.0005974300000000, 0.0007691500000000, -0.0005068600000000 ] - [ 0.0008059200000000, -0.0005547400000000, -0.0009933500000000 ] - [ 0.0019546100000000, -0.0011851800000000, -0.0009655900000000 ] - [ -0.0012563700000000, -0.0013071700000000, -0.0005736100000000 ] - [ -0.0006231100000000, 0.0017607600000000, -0.0005504300000000 ] - [ 0.0000472800000000, 0.0001872100000000, -0.0003823700000000 ] - [ -0.0015819300000000, 0.0001465800000000, 0.0002937400000000 ] - [ 0.0017874400000000, 0.0010947100000000, -0.0000718100000000 ] - [ 0.0001363900000000, -0.0011798000000000, -0.0005660600000000 ] - [ -0.0000354400000000, 0.0001457700000000, -0.0002127700000000 ] - [ 0.0001751500000000, -0.0001801000000000, 0.0000656600000000 ] - [ -0.0002703800000000, -0.0014676600000000, 0.0013200500000000 ] - [ 0.0004979300000000, 0.0011133400000000, 0.0006709300000000 ] - [ -0.0000913300000000, 0.0001920900000000, 0.0001029600000000 ] - [ -0.0011432800000000, -0.0001757600000000, 0.0020045100000000 ] - [ 0.0008654900000000, 0.0001329100000000, 0.0004656400000000 ] - [ 0.0000583300000000, 0.0000941300000000, 0.0003143900000000 ] - [ 0.0001090900000000, 0.0002803100000000, 0.0003804400000000 ] - [ -0.0002973000000000, 0.0000456900000000, 0.0003804400000000 ] - [ 0.0007238500000000, 0.0009022300000000, 0.0020045100000000 ] - [ -0.0005478500000000, -0.0006830800000000, 0.0004656400000000 ] - [ -0.0001106800000000, -0.0000034500000000, 0.0003143900000000 ] - [ 0.0014062200000000, -0.0004996800000000, 0.0013200500000000 ] - [ -0.0012131500000000, 0.0001254500000000, 0.0006709300000000 ] - [ -0.0001206900000000, 0.0001751400000000, 0.0001029600000000 ] - [ 0.0000684000000000, -0.0002417300000000, 0.0000656600000000 ] - [ 0.0000774600000000, -0.0009753100000000, -0.0009933500000000 ] - [ 0.0003678900000000, 0.0001287100000000, -0.0079537600000000 ] - [ 0.0000060300000000, 0.0001905700000000, -0.0004314200000000 ] - [ -0.0003673900000000, 0.0009019700000000, -0.0005068600000000 ] - [ 0.0000760000000000, 0.0000287800000000, 0.0006601900000000 ] - [ -0.0000624100000000, 0.0000765800000000, 0.0018580900000000 ] - [ -0.0000075500000000, -0.0000064400000000, 0.0004442700000000 ] - [ -0.0000671800000000, -0.0000383100000000, 0.0004934000000000 ] - [ -0.0018417700000000, -0.0010006100000000, -0.0000718100000000 ] - [ 0.0009535400000000, -0.0007080200000000, -0.0005660600000000 ] - [ -0.0001085200000000, 0.0001035800000000, -0.0002127700000000 ] - [ 0.0006640300000000, 0.0014432800000000, 0.0002937400000000 ] - [ 0.0017602300000000, 0.0004344600000000, -0.0005736100000000 ] - [ -0.0012133100000000, 0.0014200100000000, -0.0005504300000000 ] - [ -0.0001857700000000, 0.0000526500000000, -0.0003823700000000 ] - [ 0.0000490900000000, -0.0022853300000000, -0.0009655900000000 ] - [ 0.0231001800000000, -0.0400106900000000, -0.0468799000000000 ] - [ -0.0005830700000000, 0.0000212900000000, -0.0008192100000000 ] - [ -0.0002265200000000, 0.0003923500000000, -0.0016824400000000 ] - [ 0.0002731000000000, 0.0005155900000000, -0.0008192100000000 ] - [ 0.0002299500000000, -0.0003982800000000, 0.0051692300000000 ] - [ -0.0003599500000000, -0.0002272300000000, 0.0012974800000000 ] - [ -0.0002928200000000, 0.0005071700000000, 0.0017581100000000 ] - [ 0.0003767600000000, 0.0001981100000000, 0.0012974800000000 ] - [ -0.0308117300000000, 0.0533674800000000, 0.0986657400000000 ] - [ 0.0005553200000000, -0.0001171600000000, 0.0004861100000000 ] - [ 0.0006378300000000, -0.0011047600000000, 0.0002583200000000 ] - [ -0.0001761900000000, -0.0005395000000000, 0.0004861100000000 ] - [ -0.0001311600000000, 0.0002271700000000, -0.0021970500000000 ] - [ -0.0002848100000000, 0.0004598100000000, -0.0007074600000000 ] - [ -0.0007424300000000, 0.0012859200000000, -0.0014654800000000 ] - [ -0.0002558100000000, 0.0004765500000000, -0.0007074600000000 ] - [ 0.0017576500000000, 0.0037122800000000, -0.0042916500000000 ] - [ -0.0003270700000000, 0.0002283500000000, -0.0001405500000000 ] - [ 0.0008762100000000, -0.0005748300000000, -0.0006604900000000 ] - [ -0.0008582600000000, -0.0008997700000000, -0.0007725800000000 ] - [ 0.0060142200000000, -0.0104169300000000, -0.0061180300000000 ] - [ -0.0002539000000000, -0.0001662500000000, 0.0007798200000000 ] - [ -0.0003340300000000, 0.0005785600000000, 0.0010987100000000 ] - [ 0.0002709300000000, 0.0001367600000000, 0.0007798200000000 ] - [ -0.0018463300000000, 0.0031979400000000, -0.0064579800000000 ] - [ 0.0006730600000000, 0.0003994900000000, -0.0002773200000000 ] - [ 0.0006521100000000, -0.0011294800000000, -0.0005950500000000 ] - [ -0.0006824900000000, -0.0003831400000000, -0.0002773200000000 ] - [ -0.0034846900000000, -0.0066980100000000, -0.0068667500000000 ] - [ 0.0008161700000000, -0.0005613800000000, 0.0002520800000000 ] - [ -0.0000400500000000, -0.0000099100000000, 0.0007852200000000 ] - [ 0.0001549100000000, 0.0013815600000000, 0.0005116500000000 ] - [ 0.0073140800000000, 0.0047979300000000, 0.0070392600000000 ] - [ 0.0002140500000000, 0.0006233700000000, 0.0021993400000000 ] - [ 0.0003093200000000, -0.0004061300000000, 0.0021957700000000 ] - [ -0.0003710900000000, -0.0003550000000000, 0.0003443500000000 ] - [ -0.0007637300000000, -0.0010038200000000, -0.0021508300000000 ] - [ -0.0000279400000000, -0.0003387700000000, -0.0014694900000000 ] - [ -0.0002906700000000, -0.0006769900000000, -0.0006999200000000 ] - [ -0.0003035400000000, -0.0004936400000000, -0.0006981200000000 ] - [ 0.0005792800000000, 0.0000160600000000, -0.0006981200000000 ] - [ 0.0012512000000000, 0.0001595000000000, -0.0021508300000000 ] - [ 0.0003073600000000, -0.0001451900000000, -0.0014694900000000 ] - [ 0.0007316200000000, -0.0000867700000000, -0.0006999200000000 ] - [ -0.0012739200000000, 0.0005566300000000, 0.0005116500000000 ] - [ 0.0075430000000000, -0.0003311800000000, -0.0068667500000000 ] - [ 0.0000780900000000, -0.0009875200000000, 0.0002520800000000 ] - [ 0.0000286100000000, 0.0000297300000000, 0.0007852200000000 ] - [ 0.0012083500000000, 0.0002933900000000, -0.0007725800000000 ] - [ -0.0040937500000000, 0.0003339700000000, -0.0042916500000000 ] - [ -0.0000342200000000, 0.0003974300000000, -0.0001405500000000 ] - [ 0.0000597200000000, -0.0010462300000000, -0.0006604900000000 ] - [ -0.0006468800000000, 0.0001263100000000, 0.0021993400000000 ] - [ 0.0001970600000000, -0.0004709400000000, 0.0021957700000000 ] - [ 0.0004929900000000, 0.0001438700000000, 0.0003443500000000 ] - [ -0.0078121700000000, -0.0039352200000000, 0.0070392600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002924000000000, -0.0000473900000000, 0.0001916100000000 ] - [ -0.0002863100000000, 0.0001164000000000, -0.0000857000000000 ] - [ -0.0003035300000000, 0.0003981500000000, 0.0002766000000000 ] - [ 0.0002262200000000, -0.0003042000000000, -0.0003822800000000 ] - [ 0.0130199900000000, 0.0028302300000000, -0.0011499500000000 ] - [ -0.0020785000000000, -0.0000482000000000, -0.0007234200000000 ] - [ -0.0006069900000000, 0.0012073000000000, -0.0002833400000000 ] - [ 0.0006532200000000, -0.0015278600000000, 0.0001309700000000 ] - [ 0.0005055200000000, -0.0003278600000000, -0.0007069200000000 ] - [ -0.0003747500000000, 0.0002268200000000, 0.0002344700000000 ] - [ -0.0002320900000000, 0.0002702200000000, 0.0000141300000000 ] - [ 0.0001280700000000, -0.0001621700000000, 0.0000153600000000 ] - [ 0.0096236900000000, 0.0007314200000000, -0.0007535200000000 ] - [ -0.0035298500000000, -0.0005722700000000, 0.0008305900000000 ] - [ 0.0001161200000000, 0.0002736600000000, -0.0001783300000000 ] - [ -0.0001328000000000, -0.0003362900000000, -0.0000654400000000 ] - [ 0.0093146100000000, 0.0001023100000000, -0.0000406700000000 ] - [ -0.0010820300000000, -0.0001793800000000, -0.0000392900000000 ] - [ -0.0001909600000000, 0.0006812500000000, 0.0001429400000000 ] - [ 0.0001065600000000, -0.0005195200000000, -0.0001907600000000 ] - [ 0.0021686300000000, -0.0002295900000000, -0.0000211300000000 ] - [ -0.0011032200000000, 0.0002365200000000, -0.0000374100000000 ] - [ 0.0001210300000000, 0.0005863300000000, 0.0000223500000000 ] - [ -0.0001901700000000, -0.0006487400000000, -0.0000802200000000 ] - [ 0.0000776700000000, 0.0002523200000000, -0.0000167500000000 ] - [ -0.0000371300000000, -0.0002174300000000, 0.0000259500000000 ] - [ 0.0006250600000000, 0.0000232400000000, 0.0004480800000000 ] - [ -0.0004841400000000, -0.0000492900000000, -0.0004198200000000 ] - [ 0.0004555500000000, 0.0020326700000000, -0.0009301700000000 ] - [ -0.0005926100000000, -0.0016429800000000, 0.0007799200000000 ] - [ 0.0101666600000000, -0.0021856500000000, -0.0015612900000000 ] - [ -0.0019650400000000, 0.0000385900000000, 0.0001522700000000 ] - [ -0.0000388000000000, 0.0002771200000000, 0.0000638100000000 ] - [ 0.0001372100000000, -0.0002975200000000, -0.0000731900000000 ] - [ 0.0008015700000000, 0.0000669300000000, 0.0003458500000000 ] - [ -0.0005699600000000, -0.0000035400000000, -0.0002395800000000 ] - [ 0.0102502000000000, 0.0000223100000000, 0.0004042400000000 ] - [ -0.0020220600000000, -0.0000242400000000, -0.0005149500000000 ] - [ 0.0001239400000000, 0.0022293500000000, -0.0003321000000000 ] - [ -0.0006210500000000, -0.0011059900000000, 0.0004514600000000 ] - [ -0.0009323600000000, 0.0014546700000000, 0.0004952000000000 ] - [ 0.0006102000000000, -0.0023251300000000, -0.0005835200000000 ] - [ 0.0096750500000000, 0.0005707500000000, 0.0000012600000000 ] - [ -0.0015682600000000, 0.0002216400000000, -0.0003583800000000 ] - [ 0.0002367000000000, -0.0000088900000000, 0.0002820500000000 ] - [ -0.0004126800000000, -0.0002186600000000, -0.0001599500000000 ] - [ 0.0002582600000000, 0.0002762500000000, -0.0002458800000000 ] - [ -0.0002402800000000, -0.0002920700000000, 0.0001381900000000 ] - [ -0.0003780300000000, 0.0008498200000000, -0.0008324200000000 ] - [ -0.0000869900000000, -0.0005966700000000, 0.0007445500000000 ] - [ 0.0010224200000000, 0.0003818500000000, -0.0000093600000000 ] - [ -0.0008754500000000, -0.0003681900000000, -0.0000307300000000 ] - [ -0.0008048100000000, 0.0010140900000000, 0.0020403500000000 ] - [ -0.0009210400000000, -0.0012190100000000, -0.0019997500000000 ] - [ 0.0010703300000000, -0.0002000600000000, -0.0001280000000000 ] - [ -0.0005489800000000, 0.0003187800000000, -0.0000278400000000 ] - [ 0.0167773100000000, -0.0021788900000000, 0.0031071700000000 ] - [ -0.0024496700000000, 0.0002119500000000, 0.0007056100000000 ] - [ 0.0001216900000000, 0.0005720400000000, -0.0001407700000000 ] - [ -0.0001975200000000, -0.0004206700000000, 0.0000418900000000 ] - [ 0.0003413900000000, 0.0001766700000000, -0.0007285700000000 ] - [ -0.0003907600000000, -0.0002589400000000, 0.0003079900000000 ] - [ 0.0000661600000000, 0.0000613800000000, -0.0000298600000000 ] - [ -0.0000672700000000, -0.0000876400000000, 0.0000550600000000 ] - [ 0.0023201500000000, -0.0010147400000000, -0.0002861200000000 ] - [ -0.0013693500000000, 0.0004999600000000, 0.0001006000000000 ] - [ -0.0017925700000000, 0.0018343200000000, 0.0062825000000000 ] - [ -0.0021994700000000, -0.0031293400000000, -0.0057169700000000 ] - [ 0.0023320900000000, 0.0014973400000000, 0.0003184300000000 ] - [ -0.0012488600000000, -0.0006376900000000, 0.0001051300000000 ] - [ -0.0022085300000000, 0.0040219100000000, -0.0019967300000000 ] - [ -0.0021013000000000, -0.0011764300000000, 0.0019925200000000 ] - [ -0.0019654800000000, 0.0017817000000000, -0.0018629800000000 ] - [ 0.0015412900000000, -0.0010945400000000, 0.0002266100000000 ] - [ 0.0015433100000000, -0.0023280200000000, -0.0010171100000000 ] - [ -0.0011189200000000, 0.0018734600000000, 0.0007429300000000 ] - [ 0.0030390900000000, -0.0020716500000000, 0.0074454100000000 ] - [ 0.0009082500000000, 0.0005739900000000, -0.0014165200000000 ] - [ 0.0001307900000000, -0.0002744900000000, -0.0000887400000000 ] - [ -0.0004004900000000, 0.0006532000000000, -0.0000334600000000 ] - [ -0.0965482900000000, 0.0002120300000000, -0.0001813900000000 ] - [ 0.0036304900000000, 0.0000566300000000, 0.0000766300000000 ] - [ -0.0000287000000000, -0.0021421300000000, 0.0003020300000000 ] - [ -0.0001012400000000, 0.0021245200000000, -0.0001677300000000 ] - [ -0.0028323800000000, 0.0000748700000000, 0.0006721400000000 ] - [ 0.0019160300000000, -0.0000415500000000, 0.0003415100000000 ] - [ 0.0071379400000000, -0.0057031800000000, -0.0043810900000000 ] - [ 0.0072006400000000, 0.0058488200000000, 0.0047634800000000 ] - [ -0.0002476300000000, -0.0000480400000000, -0.0001730700000000 ] - [ 0.0001747200000000, 0.0000039400000000, 0.0003433500000000 ] - [ 0.0001097100000000, -0.0003013300000000, 0.0013815700000000 ] - [ 0.0001489600000000, 0.0001339000000000, -0.0001756700000000 ] - [ -0.0013231600000000, 0.0000603700000000, 0.0000714100000000 ] - [ 0.0010231800000000, -0.0000584200000000, 0.0001020700000000 ] - [ 0.0000164200000000, -0.0006360500000000, -0.0000013400000000 ] - [ 0.0000174000000000, 0.0005240000000000, 0.0001142200000000 ] - [ -0.0015034000000000, -0.0009885600000000, 0.0002518900000000 ] - [ 0.0004723200000000, 0.0008194600000000, -0.0004917900000000 ] - [ -0.0024199200000000, -0.0012617300000000, -0.0024399800000000 ] - [ 0.0026080500000000, 0.0001196700000000, 0.0008558200000000 ] - [ -0.0028016000000000, -0.0035192600000000, -0.0035955100000000 ] - [ 0.0012419500000000, 0.0005055600000000, 0.0006784500000000 ] - [ -0.0011519600000000, -0.0020443100000000, 0.0000170300000000 ] - [ 0.0006190400000000, 0.0007856800000000, -0.0001580600000000 ] - [ 0.0014725800000000, -0.0008411200000000, -0.0010006800000000 ] - [ -0.0012019300000000, 0.0010502200000000, 0.0010415300000000 ] - [ 0.0000110800000000, 0.0022395500000000, -0.0041867500000000 ] - [ 0.0024769900000000, -0.0001658500000000, -0.0001078300000000 ] - [ 0.0001319800000000, -0.0005522900000000, 0.0002191400000000 ] - [ 0.0000275500000000, 0.0005893800000000, 0.0001236200000000 ] - [ -0.0009076500000000, -0.0000735400000000, -0.0001295300000000 ] - [ 0.0007481100000000, -0.0000113300000000, 0.0000710300000000 ] - [ 0.0092129800000000, -0.0076463200000000, 0.0002872300000000 ] - [ 0.0091601700000000, 0.0072192200000000, 0.0000349100000000 ] - [ -0.0036851300000000, -0.0002068800000000, -0.0001061500000000 ] - [ 0.0017665500000000, -0.0000301300000000, 0.0000694800000000 ] - [ 0.0010033500000000, 0.0008679300000000, 0.0039452700000000 ] - [ 0.0017595700000000, 0.0011333700000000, -0.0013437900000000 ] - [ -0.0000663700000000, -0.0000520000000000, -0.0000812300000000 ] - [ 0.0005443100000000, 0.0008377900000000, -0.0001863800000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003281000000000, 0.0001698400000000, -0.0002278100000000 ] - [ 0.0002542700000000, 0.0000002300000000, 0.0000460700000000 ] - [ 0.0002678000000000, -0.0002818000000000, -0.0003233900000000 ] - [ -0.0002672200000000, 0.0004397300000000, 0.0003400400000000 ] - [ -0.0132255500000000, -0.0032768600000000, 0.0013247100000000 ] - [ 0.0021272400000000, -0.0000348000000000, 0.0006116600000000 ] - [ 0.0006564200000000, -0.0012918400000000, 0.0001662400000000 ] - [ -0.0005938700000000, 0.0014480100000000, -0.0002294500000000 ] - [ -0.0005585800000000, 0.0004017300000000, 0.0006037700000000 ] - [ 0.0003268200000000, -0.0001472300000000, -0.0003310000000000 ] - [ 0.0001765100000000, -0.0001867000000000, -0.0001332400000000 ] - [ -0.0001809500000000, 0.0002482800000000, -0.0001366200000000 ] - [ -0.0107782600000000, -0.0007847800000000, 0.0003526300000000 ] - [ 0.0035329100000000, 0.0004629200000000, -0.0008681500000000 ] - [ -0.0000763700000000, -0.0004009100000000, 0.0001404000000000 ] - [ 0.0001755800000000, 0.0002211200000000, 0.0000325800000000 ] - [ -0.0092949500000000, -0.0000618200000000, -0.0000223700000000 ] - [ 0.0011124600000000, 0.0002155300000000, -0.0000027700000000 ] - [ 0.0002232100000000, -0.0006434300000000, -0.0001872100000000 ] - [ -0.0000774400000000, 0.0005576000000000, 0.0001457100000000 ] - [ -0.0021844700000000, 0.0001888300000000, -0.0000057200000000 ] - [ 0.0010869800000000, -0.0002817200000000, -0.0000141800000000 ] - [ -0.0001370700000000, -0.0006333700000000, -0.0000694300000000 ] - [ 0.0001690500000000, 0.0006010700000000, 0.0000336300000000 ] - [ 0.0000321200000000, -0.0002209800000000, -0.0000219100000000 ] - [ 0.0001566900000000, 0.0002505800000000, -0.0000698000000000 ] - [ -0.0004922300000000, 0.0000078200000000, -0.0004852500000000 ] - [ 0.0006123400000000, 0.0000821400000000, 0.0003803300000000 ] - [ -0.0005413500000000, -0.0020246800000000, 0.0008316700000000 ] - [ 0.0005017200000000, 0.0016524300000000, -0.0008684200000000 ] - [ -0.0102489700000000, 0.0022719100000000, 0.0015219400000000 ] - [ 0.0018731700000000, -0.0000327900000000, -0.0002563500000000 ] - [ 0.0001316800000000, -0.0002827300000000, -0.0001488500000000 ] - [ -0.0000363900000000, 0.0002973500000000, -0.0000470400000000 ] - [ -0.0007050200000000, -0.0000694200000000, -0.0004617300000000 ] - [ 0.0006612700000000, 0.0000020200000000, 0.0001271700000000 ] - [ -0.0101168000000000, -0.0001788400000000, -0.0005258300000000 ] - [ 0.0020857700000000, 0.0001174000000000, 0.0004723800000000 ] - [ -0.0000827500000000, -0.0021490900000000, 0.0002778300000000 ] - [ 0.0006756900000000, 0.0011902700000000, -0.0004870300000000 ] - [ 0.0008223300000000, -0.0014861300000000, -0.0005401000000000 ] - [ -0.0007307900000000, 0.0022981000000000, 0.0005439200000000 ] - [ -0.0096143300000000, -0.0003031700000000, -0.0001456000000000 ] - [ 0.0014505500000000, -0.0002551500000000, 0.0003200700000000 ] - [ -0.0002905600000000, -0.0000863200000000, -0.0003772100000000 ] - [ 0.0003628900000000, 0.0001293300000000, 0.0000702400000000 ] - [ -0.0003113500000000, -0.0003643200000000, 0.0001481300000000 ] - [ 0.0001893400000000, 0.0001999800000000, -0.0002451600000000 ] - [ 0.0003495300000000, -0.0008835000000000, 0.0007787700000000 ] - [ 0.0000499700000000, 0.0005617400000000, -0.0007923600000000 ] - [ -0.0010481200000000, -0.0004193200000000, -0.0000385700000000 ] - [ 0.0008442900000000, 0.0003290100000000, -0.0000147500000000 ] - [ 0.0008241700000000, -0.0009653000000000, -0.0020781700000000 ] - [ 0.0009368300000000, 0.0012688700000000, 0.0019682200000000 ] - [ -0.0010559300000000, 0.0002512000000000, 0.0000700400000000 ] - [ 0.0005669400000000, -0.0002760300000000, -0.0000128900000000 ] - [ -0.0157151900000000, 0.0020441400000000, -0.0025123700000000 ] - [ 0.0025156400000000, -0.0001216300000000, -0.0008105500000000 ] - [ -0.0000725300000000, -0.0004704500000000, 0.0000426600000000 ] - [ 0.0002503900000000, 0.0005120200000000, -0.0001426500000000 ] - [ -0.0003921100000000, -0.0002664300000000, 0.0006815100000000 ] - [ 0.0003426300000000, 0.0001701700000000, -0.0003619100000000 ] - [ -0.0001293400000000, -0.0001629000000000, -0.0000054800000000 ] - [ 0.0000073100000000, -0.0000176600000000, -0.0000901200000000 ] - [ -0.0023136000000000, 0.0009938900000000, 0.0005200800000000 ] - [ 0.0013774200000000, -0.0004920000000000, 0.0001045800000000 ] - [ 0.0017748400000000, -0.0018504300000000, -0.0061131200000000 ] - [ 0.0021971700000000, 0.0031387800000000, 0.0058892200000000 ] - [ -0.0023453100000000, -0.0015164900000000, -0.0001049200000000 ] - [ 0.0012421100000000, 0.0006489800000000, 0.0001089400000000 ] - [ 0.0022076300000000, -0.0040247900000000, 0.0022161900000000 ] - [ 0.0021270700000000, 0.0011667800000000, -0.0017832100000000 ] - [ 0.0024061700000000, -0.0024197100000000, 0.0016258300000000 ] - [ -0.0011164800000000, 0.0004432200000000, -0.0004453000000000 ] - [ -0.0011194300000000, 0.0016846300000000, 0.0007985800000000 ] - [ 0.0015427000000000, -0.0025243500000000, -0.0009659100000000 ] - [ -0.0034551000000000, 0.0027229000000000, -0.0076950600000000 ] - [ -0.0013395900000000, 0.0000852900000000, 0.0011825500000000 ] - [ -0.0005657200000000, 0.0009378400000000, -0.0001368600000000 ] - [ -0.0000272100000000, -0.0000052200000000, -0.0001876600000000 ] - [ 0.0967672200000000, 0.0002129400000000, -0.0001564900000000 ] - [ -0.0036173300000000, -0.0000283900000000, 0.0000716700000000 ] - [ 0.0000407400000000, 0.0021653600000000, -0.0001512900000000 ] - [ 0.0001131300000000, -0.0021000200000000, 0.0003196700000000 ] - [ 0.0028352100000000, -0.0000266800000000, 0.0000049900000000 ] - [ -0.0019166300000000, 0.0000355900000000, 0.0003536900000000 ] - [ -0.0071874200000000, 0.0057598400000000, 0.0051106200000000 ] - [ -0.0071432100000000, -0.0057854900000000, -0.0040306500000000 ] - [ 0.0002461500000000, 0.0000463500000000, 0.0008757300000000 ] - [ -0.0001744200000000, -0.0000090600000000, 0.0003545900000000 ] - [ -0.0001115300000000, 0.0003002100000000, -0.0006871100000000 ] - [ -0.0001539900000000, -0.0001371000000000, 0.0008768900000000 ] - [ 0.0013075700000000, -0.0000892100000000, 0.0000811400000000 ] - [ -0.0010373000000000, 0.0000333400000000, 0.0000507700000000 ] - [ -0.0000281800000000, 0.0006187800000000, 0.0001553000000000 ] - [ -0.0000264500000000, -0.0005486900000000, 0.0000371200000000 ] - [ 0.0007112800000000, 0.0010329300000000, -0.0004769100000000 ] - [ -0.0012459500000000, -0.0007776100000000, 0.0002704700000000 ] - [ 0.0016754700000000, 0.0013020200000000, 0.0022064200000000 ] - [ -0.0033829700000000, -0.0000749000000000, -0.0010747600000000 ] - [ 0.0023764900000000, 0.0028415200000000, 0.0033851300000000 ] - [ -0.0016512900000000, -0.0012169700000000, -0.0009253600000000 ] - [ 0.0007497900000000, 0.0013435300000000, -0.0002573000000000 ] - [ -0.0010265600000000, -0.0014886900000000, -0.0000841700000000 ] - [ -0.0006920300000000, 0.0007966500000000, 0.0007710900000000 ] - [ 0.0019971900000000, -0.0010947000000000, -0.0012692300000000 ] - [ 0.0007235400000000, -0.0022923400000000, 0.0039864200000000 ] - [ -0.0016995800000000, 0.0001246600000000, -0.0001201100000000 ] - [ -0.0001481900000000, 0.0005239200000000, -0.0000640000000000 ] - [ -0.0000393900000000, -0.0006103200000000, 0.0000271700000000 ] - [ 0.0008891300000000, 0.0000485800000000, 0.0002787900000000 ] - [ -0.0007636000000000, -0.0000106500000000, 0.0000810300000000 ] - [ -0.0091507100000000, 0.0075997700000000, -0.0001282400000000 ] - [ -0.0092048300000000, -0.0072658300000000, 0.0001164300000000 ] - [ 0.0036971700000000, 0.0001727000000000, 0.0002568400000000 ] - [ -0.0017539100000000, 0.0000635400000000, 0.0000790000000000 ] - [ -0.0006148700000000, -0.0001771400000000, -0.0041734300000000 ] - [ -0.0013552900000000, -0.0004301600000000, 0.0011086700000000 ] - [ 0.0004681300000000, 0.0007457400000000, -0.0001583000000000 ] - [ -0.0001312100000000, -0.0001226800000000, -0.0000571100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001124300000000, 0.0000988700000000, -0.0015602100000000 ] - [ -0.0000611100000000, 0.0000810100000000, -0.0004162400000000 ] - [ -0.0000168800000000, 0.0001427600000000, -0.0009040800000000 ] - [ -0.0001053400000000, 0.0001107000000000, -0.0009394800000000 ] - [ -0.0026885300000000, -0.0033986000000000, 0.0111095600000000 ] - [ -0.0001639900000000, 0.0002025900000000, 0.0002309800000000 ] - [ 0.0000706600000000, -0.0003262300000000, 0.0003170000000000 ] - [ 0.0001317700000000, -0.0007050700000000, 0.0005073900000000 ] - [ -0.0000324700000000, -0.0002248700000000, -0.0014543700000000 ] - [ 0.0001369200000000, -0.0001853100000000, -0.0005628800000000 ] - [ 0.0000589600000000, -0.0000746500000000, -0.0004867900000000 ] - [ -0.0000713600000000, 0.0002747800000000, -0.0003695400000000 ] - [ 0.0004204300000000, 0.0001067400000000, 0.0100983900000000 ] - [ 0.0005612200000000, 0.0001967900000000, 0.0012218100000000 ] - [ -0.0001962200000000, 0.0000170400000000, 0.0009711100000000 ] - [ 0.0000272800000000, 0.0000299500000000, 0.0002811800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017825500000000 ] - [ 0.0000823700000000, -0.0002289800000000, 0.0004269000000000 ] - [ 0.0001571200000000, 0.0001858200000000, 0.0004269000000000 ] - [ -0.0002394800000000, 0.0000431600000000, 0.0004269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0064209900000000 ] - [ 0.0000516700000000, 0.0002793300000000, -0.0004172100000000 ] - [ -0.0002677400000000, -0.0000949200000000, -0.0004172100000000 ] - [ 0.0002160700000000, -0.0001844100000000, -0.0004172100000000 ] - [ 0.0001485400000000, 0.0000358800000000, -0.0009394800000000 ] - [ 0.0001007100000000, 0.0000124200000000, -0.0004162400000000 ] - [ 0.0001418400000000, 0.0000479300000000, -0.0015602100000000 ] - [ 0.0001320700000000, -0.0000567600000000, -0.0009040800000000 ] - [ -0.0006764900000000, 0.0002384200000000, 0.0005073900000000 ] - [ 0.0002574500000000, 0.0000407200000000, 0.0002309800000000 ] - [ -0.0015990100000000, 0.0040276300000000, 0.0111095600000000 ] - [ -0.0003178600000000, 0.0001019200000000, 0.0003170000000000 ] - [ 0.0002736500000000, -0.0000755900000000, -0.0003695400000000 ] - [ -0.0002289400000000, -0.0000259200000000, -0.0005628800000000 ] - [ -0.0001785100000000, 0.0001405500000000, -0.0014543700000000 ] - [ -0.0000941300000000, -0.0000137400000000, -0.0004867900000000 ] - [ -0.0003026600000000, 0.0003107300000000, 0.0100983900000000 ] - [ -0.0000395700000000, 0.0000086500000000, 0.0002811800000000 ] - [ -0.0004510400000000, 0.0003876300000000, 0.0012218100000000 ] - [ 0.0000833500000000, -0.0001784500000000, 0.0009711100000000 ] - [ 0.0000122900000000, -0.0000386000000000, 0.0002811800000000 ] - [ -0.0001101800000000, -0.0005844300000000, 0.0012218100000000 ] - [ -0.0001177700000000, -0.0004174700000000, 0.0100983900000000 ] - [ 0.0001128700000000, 0.0001614100000000, 0.0009711100000000 ] - [ 0.0002109800000000, 0.0000843200000000, -0.0014543700000000 ] - [ -0.0002022900000000, -0.0001991900000000, -0.0003695400000000 ] - [ 0.0000920200000000, 0.0002112300000000, -0.0005628800000000 ] - [ 0.0000351700000000, 0.0000883900000000, -0.0004867900000000 ] - [ -0.0006919700000000, 0.0006338400000000, -0.0006684100000000 ] - [ 0.0008949100000000, 0.0002823400000000, -0.0006684100000000 ] - [ -0.0002029400000000, -0.0009161900000000, -0.0006684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005501300000000 ] - [ 0.0014864800000000, -0.0007675200000000, 0.0002372000000000 ] - [ -0.0014079300000000, -0.0009035700000000, 0.0002372000000000 ] - [ -0.0000785500000000, 0.0016710900000000, 0.0002372000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005484000000000 ] - [ 0.0042875400000000, -0.0006290300000000, 0.0111095600000000 ] - [ 0.0005447300000000, 0.0004666500000000, 0.0005073900000000 ] - [ -0.0000934500000000, -0.0002433200000000, 0.0002309800000000 ] - [ 0.0002471900000000, 0.0002243100000000, 0.0003170000000000 ] - [ -0.0000294100000000, -0.0001468100000000, -0.0015602100000000 ] - [ -0.0000432000000000, -0.0001465800000000, -0.0009394800000000 ] - [ -0.0000396000000000, -0.0000934300000000, -0.0004162400000000 ] - [ -0.0001151900000000, -0.0000860000000000, -0.0009040800000000 ] - [ -0.0017272500000000, 0.0055178200000000, 0.0000262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005607900000000 ] - [ 0.0056422000000000, -0.0012630700000000, 0.0000262100000000 ] - [ -0.0039149500000000, -0.0042547600000000, 0.0000262100000000 ] - [ -0.0025153700000000, -0.0049828000000000, -0.0018071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162200000000 ] - [ -0.0030575500000000, 0.0046697700000000, -0.0018071700000000 ] - [ 0.0055729100000000, 0.0003130300000000, -0.0018071700000000 ] - [ -0.0005979700000000, -0.0064566700000000, 0.0042067600000000 ] - [ 0.0004933200000000, -0.0007025300000000, 0.0000441700000000 ] - [ -0.0005488800000000, 0.0008000200000000, 0.0005540700000000 ] - [ -0.0000014100000000, 0.0010526800000000, 0.0006906300000000 ] - [ 0.0078426200000000, -0.0028772400000000, 0.0067744700000000 ] - [ -0.0014029300000000, 0.0014565100000000, -0.0006204800000000 ] - [ -0.0008899400000000, 0.0016582500000000, -0.0008667000000000 ] - [ -0.0000540700000000, -0.0001263500000000, -0.0003469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0730789100000000 ] - [ 0.0000065200000000, -0.0002692000000000, -0.0009302000000000 ] - [ 0.0002298800000000, 0.0001402500000000, -0.0009302000000000 ] - [ -0.0002364000000000, 0.0001289500000000, -0.0009302000000000 ] - [ -0.0000578800000000, -0.0021858500000000, -0.0028142000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003252700000000 ] - [ -0.0018640600000000, 0.0011430500000000, -0.0028142000000000 ] - [ 0.0019219400000000, 0.0010428000000000, -0.0028142000000000 ] - [ 0.0001972900000000, 0.0001651200000000, 0.0031726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010425000000000 ] - [ 0.0000443500000000, -0.0002534200000000, 0.0031726800000000 ] - [ -0.0002416400000000, 0.0000883000000000, 0.0031726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029850400000000 ] - [ -0.0000285100000000, 0.0000640000000000, 0.0010605100000000 ] - [ -0.0000411700000000, -0.0000566900000000, 0.0010605100000000 ] - [ 0.0000696800000000, -0.0000073100000000, 0.0010605100000000 ] - [ 0.0009123600000000, -0.0005251200000000, 0.0006906300000000 ] - [ -0.0008550600000000, -0.0000759600000000, 0.0000441700000000 ] - [ -0.0052926600000000, 0.0037462000000000, 0.0042067600000000 ] - [ 0.0009672800000000, 0.0000753400000000, 0.0005540700000000 ] - [ -0.0014295500000000, 0.0082305300000000, 0.0067744700000000 ] - [ 0.0001364600000000, 0.0000163500000000, -0.0003469800000000 ] - [ -0.0005599100000000, -0.0019432200000000, -0.0006204800000000 ] - [ -0.0009911100000000, -0.0015998400000000, -0.0008667000000000 ] - [ -0.0000823900000000, 0.0001100100000000, -0.0003469800000000 ] - [ 0.0019628300000000, 0.0004867200000000, -0.0006204800000000 ] - [ -0.0064130800000000, -0.0053532900000000, 0.0067744700000000 ] - [ 0.0018810500000000, -0.0000584100000000, -0.0008667000000000 ] - [ -0.0001446300000000, -0.0001484700000000, 0.0016368900000000 ] - [ -0.0000562600000000, 0.0001994900000000, 0.0016368900000000 ] - [ 0.0002009000000000, -0.0000510200000000, 0.0016368900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012016600000000 ] - [ -0.0000640600000000, 0.0002382700000000, -0.0038232900000000 ] - [ 0.0002383800000000, -0.0000636600000000, -0.0038232900000000 ] - [ -0.0001743200000000, -0.0001746100000000, -0.0038232900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011683900000000 ] - [ 0.0058906300000000, 0.0027104800000000, 0.0042067600000000 ] - [ -0.0009109400000000, -0.0005275700000000, 0.0006906300000000 ] - [ 0.0003617500000000, 0.0007784900000000, 0.0000441700000000 ] - [ -0.0004183900000000, -0.0008753600000000, 0.0005540700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000655100000000, -0.0000132300000000, 0.0015080900000000 ] - [ 0.0000013400000000, 0.0000211800000000, 0.0003666800000000 ] - [ -0.0000343500000000, -0.0000560400000000, 0.0008504400000000 ] - [ 0.0000522600000000, -0.0000202600000000, 0.0008915100000000 ] - [ 0.0025117600000000, 0.0030421500000000, -0.0110496900000000 ] - [ 0.0002167400000000, -0.0002860600000000, -0.0003240800000000 ] - [ -0.0000254600000000, 0.0002468100000000, -0.0003982900000000 ] - [ -0.0000806100000000, 0.0006271200000000, -0.0005903900000000 ] - [ -0.0000122800000000, 0.0003119900000000, 0.0013737600000000 ] - [ -0.0001879300000000, 0.0002726800000000, 0.0004642100000000 ] - [ -0.0001102300000000, 0.0001592100000000, 0.0004025800000000 ] - [ 0.0000269800000000, -0.0002000000000000, 0.0002856100000000 ] - [ -0.0004735500000000, -0.0001761300000000, -0.0101731700000000 ] - [ -0.0005062300000000, -0.0002760700000000, -0.0012766700000000 ] - [ 0.0002449300000000, -0.0001045200000000, -0.0010243600000000 ] - [ 0.0000235300000000, -0.0001095200000000, -0.0003367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028220700000000 ] - [ -0.0000812200000000, 0.0002311800000000, -0.0004766100000000 ] - [ -0.0001596000000000, -0.0001859300000000, -0.0004766100000000 ] - [ 0.0002408200000000, -0.0000452500000000, -0.0004766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063228200000000 ] - [ -0.0000524100000000, -0.0002775800000000, 0.0003772800000000 ] - [ 0.0002666000000000, 0.0000934000000000, 0.0003772800000000 ] - [ -0.0002141900000000, 0.0001841800000000, 0.0003772800000000 ] - [ -0.0000436700000000, -0.0000351300000000, 0.0008915100000000 ] - [ 0.0000176700000000, -0.0000117500000000, 0.0003666800000000 ] - [ -0.0000442100000000, -0.0000501200000000, 0.0015080900000000 ] - [ -0.0000313600000000, 0.0000577600000000, 0.0008504400000000 ] - [ 0.0005834100000000, -0.0002437500000000, -0.0005903900000000 ] - [ -0.0003561100000000, -0.0000446800000000, -0.0003240800000000 ] - [ 0.0013787000000000, -0.0036963200000000, -0.0110496900000000 ] - [ 0.0002264800000000, -0.0001013600000000, -0.0003982900000000 ] - [ -0.0001866900000000, 0.0000766400000000, 0.0002856100000000 ] - [ 0.0003301200000000, 0.0000264100000000, 0.0004642100000000 ] - [ 0.0002763300000000, -0.0001453600000000, 0.0013737600000000 ] - [ 0.0001930000000000, 0.0000158600000000, 0.0004025800000000 ] - [ 0.0003893100000000, -0.0003220400000000, -0.0101731700000000 ] - [ 0.0000830800000000, 0.0000751400000000, -0.0003367900000000 ] - [ 0.0004922000000000, -0.0003003700000000, -0.0012766700000000 ] - [ -0.0000319500000000, 0.0002643800000000, -0.0010243600000000 ] - [ -0.0001066100000000, 0.0000343800000000, -0.0003367900000000 ] - [ 0.0000140300000000, 0.0005764500000000, -0.0012766700000000 ] - [ 0.0000842400000000, 0.0004981700000000, -0.0101731700000000 ] - [ -0.0002129800000000, -0.0001598600000000, -0.0010243600000000 ] - [ -0.0002640500000000, -0.0001666300000000, 0.0013737600000000 ] - [ 0.0001597200000000, 0.0001233600000000, 0.0002856100000000 ] - [ -0.0001421900000000, -0.0002991000000000, 0.0004642100000000 ] - [ -0.0000827600000000, -0.0001750700000000, 0.0004025800000000 ] - [ 0.0006896800000000, -0.0006322900000000, 0.0006291100000000 ] - [ -0.0008924200000000, -0.0002811400000000, 0.0006291100000000 ] - [ 0.0002027400000000, 0.0009134300000000, 0.0006291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005080200000000 ] - [ -0.0014916900000000, 0.0007700300000000, -0.0002928400000000 ] - [ 0.0014127100000000, 0.0009068200000000, -0.0002928400000000 ] - [ 0.0000789800000000, -0.0016768500000000, -0.0002928400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005959800000000 ] - [ -0.0038904600000000, 0.0006541700000000, -0.0110496900000000 ] - [ -0.0005028000000000, -0.0003833800000000, -0.0005903900000000 ] - [ 0.0001393600000000, 0.0003307400000000, -0.0003240800000000 ] - [ -0.0002010200000000, -0.0001454600000000, -0.0003982900000000 ] - [ -0.0000213000000000, 0.0000633500000000, 0.0015080900000000 ] - [ -0.0000085800000000, 0.0000553800000000, 0.0008915100000000 ] - [ -0.0000190100000000, -0.0000094300000000, 0.0003666800000000 ] - [ 0.0000657000000000, -0.0000017300000000, 0.0008504400000000 ] - [ 0.0017191500000000, -0.0054914000000000, 0.0002174800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003414500000000 ] - [ -0.0056152600000000, 0.0012568700000000, 0.0002174800000000 ] - [ 0.0038961100000000, 0.0042345300000000, 0.0002174800000000 ] - [ 0.0025331000000000, 0.0049980500000000, 0.0020126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005210200000000 ] - [ 0.0030618900000000, -0.0046927600000000, 0.0020126900000000 ] - [ -0.0055949900000000, -0.0003052900000000, 0.0020126900000000 ] - [ 0.0009741200000000, 0.0057321700000000, -0.0044102200000000 ] - [ -0.0001001600000000, 0.0000240900000000, -0.0002703800000000 ] - [ 0.0009381200000000, -0.0014714400000000, -0.0007849400000000 ] - [ 0.0003918300000000, -0.0017221400000000, -0.0009186200000000 ] - [ -0.0082888100000000, 0.0035633000000000, -0.0070277300000000 ] - [ 0.0010211400000000, -0.0007949800000000, 0.0004102100000000 ] - [ 0.0005039900000000, -0.0009930700000000, 0.0006531300000000 ] - [ -0.0003373300000000, 0.0008038300000000, 0.0001284700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0739948100000000 ] - [ -0.0000078200000000, 0.0002689900000000, 0.0010679900000000 ] - [ -0.0002290500000000, -0.0001412700000000, 0.0010679900000000 ] - [ 0.0002368700000000, -0.0001277200000000, 0.0010679900000000 ] - [ 0.0000546300000000, 0.0022187100000000, 0.0034640800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010114600000000 ] - [ 0.0018941500000000, -0.0011566600000000, 0.0034640800000000 ] - [ -0.0019487700000000, -0.0010620500000000, 0.0034640800000000 ] - [ -0.0001989000000000, -0.0001655400000000, -0.0024885600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514500000000 ] - [ -0.0000439200000000, 0.0002550200000000, -0.0024885600000000 ] - [ 0.0002428100000000, -0.0000894800000000, -0.0024885600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028537900000000 ] - [ 0.0000281900000000, -0.0000686300000000, -0.0009280200000000 ] - [ 0.0000453400000000, 0.0000587300000000, -0.0009280200000000 ] - [ -0.0000735300000000, 0.0000099000000000, -0.0009280200000000 ] - [ -0.0016873300000000, 0.0005217300000000, -0.0009186200000000 ] - [ 0.0000709400000000, 0.0000747000000000, -0.0002703800000000 ] - [ 0.0044771400000000, -0.0037097000000000, -0.0044102200000000 ] - [ -0.0017433600000000, -0.0000767200000000, -0.0007849400000000 ] - [ 0.0010585000000000, -0.0089599800000000, -0.0070277300000000 ] - [ -0.0005274700000000, -0.0006940500000000, 0.0001284700000000 ] - [ 0.0001779000000000, 0.0012818200000000, 0.0004102100000000 ] - [ 0.0006080300000000, 0.0009330000000000, 0.0006531300000000 ] - [ 0.0008648000000000, -0.0001097800000000, 0.0001284700000000 ] - [ -0.0011990400000000, -0.0004868400000000, 0.0004102100000000 ] - [ 0.0072303200000000, 0.0053966700000000, -0.0070277300000000 ] - [ -0.0011120200000000, 0.0000600700000000, 0.0006531300000000 ] - [ 0.0001488000000000, 0.0001469000000000, -0.0015021600000000 ] - [ 0.0000528200000000, -0.0002023100000000, -0.0015021600000000 ] - [ -0.0002016100000000, 0.0000554100000000, -0.0015021600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010688200000000 ] - [ 0.0000149600000000, -0.0002110400000000, 0.0039589200000000 ] - [ -0.0001902400000000, 0.0000925700000000, 0.0039589200000000 ] - [ 0.0001752800000000, 0.0001184700000000, 0.0039589200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013093400000000 ] - [ -0.0054512700000000, -0.0020224700000000, -0.0044102200000000 ] - [ 0.0012955000000000, 0.0012004100000000, -0.0009186200000000 ] - [ 0.0000292200000000, -0.0000987900000000, -0.0002703800000000 ] - [ 0.0008052400000000, 0.0015481600000000, -0.0007849400000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001027300000000, 0.0000328400000000, 0.0002237300000000 ] - [ -0.0001980200000000, 0.0000228400000000, -0.0000669300000000 ] - [ 0.0000670600000000, 0.0001655200000000, -0.0000893800000000 ] - [ -0.0000726400000000, -0.0000609600000000, 0.0000014200000000 ] - [ 0.0024237600000000, 0.0071843400000000, 0.0012261500000000 ] - [ -0.0013418900000000, -0.0002604300000000, -0.0007651400000000 ] - [ 0.0002889400000000, 0.0024988900000000, -0.0006811100000000 ] - [ -0.0007667200000000, -0.0010263000000000, 0.0006907200000000 ] - [ 0.0000506900000000, 0.0001407900000000, -0.0000565900000000 ] - [ -0.0001221200000000, -0.0000464600000000, 0.0000243300000000 ] - [ 0.0000854600000000, 0.0001021300000000, 0.0000953400000000 ] - [ -0.0001363700000000, -0.0000070600000000, -0.0000840200000000 ] - [ 0.0006432400000000, 0.0014520000000000, -0.0004561100000000 ] - [ -0.0004810100000000, -0.0013216400000000, 0.0003030800000000 ] - [ 0.0074214100000000, -0.0000746400000000, 0.0003349300000000 ] - [ -0.0016617700000000, 0.0000019100000000, -0.0003375200000000 ] - [ 0.0004052500000000, -0.0000964000000000, -0.0000073100000000 ] - [ -0.0003213100000000, 0.0000286300000000, -0.0000126400000000 ] - [ -0.0002150500000000, 0.0002980500000000, 0.0014896600000000 ] - [ -0.0002427300000000, -0.0004301900000000, -0.0015217300000000 ] - [ 0.0002426000000000, 0.0002323300000000, -0.0001212700000000 ] - [ -0.0001419100000000, -0.0000393000000000, -0.0000174800000000 ] - [ -0.0003977600000000, 0.0004293300000000, -0.0005367500000000 ] - [ -0.0002635600000000, -0.0002277000000000, 0.0005968800000000 ] - [ 0.0001983800000000, 0.0000000000000000, -0.0005292000000000 ] - [ -0.0000723400000000, 0.0000000000000000, 0.0000881000000000 ] - [ 0.0000402500000000, 0.0000654400000000, -0.0000337100000000 ] - [ 0.0000402500000000, -0.0000654400000000, -0.0000337100000000 ] - [ -0.0099608700000000, 0.0000000000000000, -0.0025323100000000 ] - [ -0.0041475900000000, 0.0000000000000000, 0.0012703300000000 ] - [ -0.0000692900000000, 0.0001219700000000, -0.0000513500000000 ] - [ -0.0000692900000000, -0.0001219700000000, -0.0000513500000000 ] - [ -0.0000567900000000, 0.0000000000000000, 0.0000226200000000 ] - [ 0.0000356900000000, 0.0000000000000000, -0.0002758500000000 ] - [ 0.0000495600000000, 0.0000021900000000, -0.0000180100000000 ] - [ 0.0000495600000000, -0.0000021900000000, -0.0000180100000000 ] - [ 0.0074214100000000, 0.0000746400000000, 0.0003349300000000 ] - [ -0.0016617700000000, -0.0000019100000000, -0.0003375200000000 ] - [ -0.0004810100000000, 0.0013216400000000, 0.0003030800000000 ] - [ 0.0006432400000000, -0.0014520000000000, -0.0004561100000000 ] - [ -0.0020337600000000, 0.0000000000000000, 0.0008280300000000 ] - [ 0.0069770200000000, 0.0000000000000000, -0.0010231300000000 ] - [ -0.0001010800000000, -0.0003534800000000, -0.0000515200000000 ] - [ -0.0001010800000000, 0.0003534800000000, -0.0000515200000000 ] - [ 0.0000854600000000, -0.0001021300000000, 0.0000953400000000 ] - [ -0.0001363700000000, 0.0000070600000000, -0.0000840200000000 ] - [ -0.0001221200000000, 0.0000464600000000, 0.0000243300000000 ] - [ 0.0000506900000000, -0.0001407900000000, -0.0000565900000000 ] - [ -0.0003977600000000, -0.0004293300000000, -0.0005367500000000 ] - [ -0.0002635600000000, 0.0002277000000000, 0.0005968800000000 ] - [ -0.0001419100000000, 0.0000393000000000, -0.0000174800000000 ] - [ 0.0002426000000000, -0.0002323300000000, -0.0001212700000000 ] - [ -0.0002150500000000, -0.0002980500000000, 0.0014896600000000 ] - [ -0.0002427300000000, 0.0004301900000000, -0.0015217300000000 ] - [ -0.0003213100000000, -0.0000286300000000, -0.0000126400000000 ] - [ 0.0004052500000000, 0.0000964000000000, -0.0000073100000000 ] - [ 0.0002889400000000, -0.0024988900000000, -0.0006811100000000 ] - [ -0.0007667200000000, 0.0010263000000000, 0.0006907200000000 ] - [ -0.0013418900000000, 0.0002604300000000, -0.0007651400000000 ] - [ 0.0024237600000000, -0.0071843400000000, 0.0012261500000000 ] - [ 0.0000670600000000, -0.0001655200000000, -0.0000893800000000 ] - [ -0.0000726400000000, 0.0000609600000000, 0.0000014200000000 ] - [ -0.0001980200000000, -0.0000228400000000, -0.0000669300000000 ] - [ 0.0001027300000000, -0.0000328400000000, 0.0002237300000000 ] - [ 0.0347666500000000, 0.0000000000000000, -0.0003229200000000 ] - [ -0.0023697300000000, 0.0000000000000000, -0.0000055400000000 ] - [ -0.0000985500000000, 0.0013105200000000, 0.0001565300000000 ] - [ -0.0000985500000000, -0.0013105200000000, 0.0001565300000000 ] - [ 0.0047370500000000, 0.0000000000000000, 0.0001218500000000 ] - [ -0.0019489700000000, 0.0000000000000000, 0.0001178400000000 ] - [ -0.0000170700000000, 0.0011163800000000, 0.0001149800000000 ] - [ -0.0000170700000000, -0.0011163800000000, 0.0001149800000000 ] - [ -0.0028852300000000, 0.0006788100000000, -0.0060663200000000 ] - [ 0.0010260300000000, -0.0006508700000000, 0.0001581600000000 ] - [ 0.0002486200000000, -0.0012972300000000, 0.0002301700000000 ] - [ 0.0002289500000000, 0.0004708800000000, -0.0003798500000000 ] - [ -0.0002426300000000, -0.0006450600000000, 0.0005455200000000 ] - [ -0.0001673400000000, 0.0012307800000000, -0.0007944200000000 ] - [ -0.0015472700000000, 0.0006186300000000, -0.0019617700000000 ] - [ 0.0007484300000000, -0.0000662900000000, 0.0005721800000000 ] - [ -0.0028272900000000, -0.0000597400000000, 0.0000173100000000 ] - [ 0.0019142900000000, 0.0000618600000000, 0.0000477000000000 ] - [ 0.0071879300000000, -0.0058565500000000, -0.0018384000000000 ] - [ 0.0071678200000000, 0.0057024900000000, 0.0019810000000000 ] - [ -0.0572014100000000, 0.0000000000000000, 0.0009564800000000 ] - [ 0.0023187800000000, 0.0000000000000000, 0.0004382300000000 ] - [ -0.0000453500000000, -0.0013636900000000, 0.0002677000000000 ] - [ -0.0000453500000000, 0.0013636900000000, 0.0002677000000000 ] - [ -0.0005732900000000, 0.0000000000000000, 0.0003132100000000 ] - [ 0.0002938700000000, 0.0000000000000000, 0.0003131000000000 ] - [ 0.0000012100000000, -0.0001689600000000, 0.0003180900000000 ] - [ 0.0000012100000000, 0.0001689600000000, 0.0003180900000000 ] - [ -0.0002586000000000, -0.0000963600000000, -0.0001497600000000 ] - [ 0.0001631300000000, 0.0000090700000000, 0.0000506900000000 ] - [ 0.0001508200000000, -0.0002718200000000, 0.0002952800000000 ] - [ 0.0001146400000000, 0.0001558200000000, 0.0000059000000000 ] - [ -0.0052782600000000, 0.0000000000000000, 0.0118737500000000 ] - [ 0.0014295100000000, 0.0000000000000000, -0.0007720800000000 ] - [ -0.0003033000000000, -0.0001343900000000, -0.0000849700000000 ] - [ -0.0003033000000000, 0.0001343900000000, -0.0000849700000000 ] - [ -0.0015472700000000, -0.0006186300000000, -0.0019617700000000 ] - [ 0.0007484300000000, 0.0000662900000000, 0.0005721800000000 ] - [ -0.0001673400000000, -0.0012307800000000, -0.0007944200000000 ] - [ -0.0002426300000000, 0.0006450600000000, 0.0005455200000000 ] - [ 0.0019573800000000, 0.0000000000000000, -0.0014158900000000 ] - [ -0.0015118900000000, 0.0000000000000000, 0.0036038200000000 ] - [ 0.0003733100000000, 0.0001414100000000, -0.0000986200000000 ] - [ 0.0003733100000000, -0.0001414100000000, -0.0000986200000000 ] - [ 0.0001508200000000, 0.0002718200000000, 0.0002952800000000 ] - [ 0.0001146400000000, -0.0001558200000000, 0.0000059000000000 ] - [ 0.0001631300000000, -0.0000090700000000, 0.0000506900000000 ] - [ -0.0002586000000000, 0.0000963600000000, -0.0001497600000000 ] - [ 0.0071879300000000, 0.0058565500000000, -0.0018384000000000 ] - [ 0.0071678200000000, -0.0057024900000000, 0.0019810000000000 ] - [ 0.0019142900000000, -0.0000618600000000, 0.0000477000000000 ] - [ -0.0028272900000000, 0.0000597400000000, 0.0000173100000000 ] - [ 0.0002486200000000, 0.0012972300000000, 0.0002301700000000 ] - [ 0.0002289500000000, -0.0004708800000000, -0.0003798500000000 ] - [ 0.0010260300000000, 0.0006508700000000, 0.0001581600000000 ] - [ -0.0028852300000000, -0.0006788100000000, -0.0060663200000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001425000000000, 0.0000588200000000, -0.0002837300000000 ] - [ 0.0001591200000000, 0.0000674500000000, -0.0000075700000000 ] - [ -0.0000980500000000, -0.0000753700000000, 0.0000237900000000 ] - [ 0.0000427100000000, 0.0001494700000000, -0.0000815800000000 ] - [ -0.0024707000000000, -0.0072143300000000, -0.0012891000000000 ] - [ 0.0013941700000000, 0.0001826500000000, 0.0006751200000000 ] - [ -0.0002290600000000, -0.0025664500000000, 0.0006151500000000 ] - [ 0.0008162600000000, 0.0009471000000000, -0.0007806500000000 ] - [ -0.0001035000000000, -0.0000702500000000, -0.0000074200000000 ] - [ 0.0000748200000000, 0.0001122100000000, -0.0000762800000000 ] - [ -0.0001339100000000, -0.0000193300000000, -0.0001546100000000 ] - [ 0.0000897600000000, 0.0000952400000000, 0.0000141200000000 ] - [ -0.0006157000000000, -0.0015538100000000, 0.0003955300000000 ] - [ 0.0005284800000000, 0.0012244500000000, -0.0003656200000000 ] - [ -0.0073269600000000, -0.0001249300000000, -0.0004769700000000 ] - [ 0.0017064200000000, -0.0000998400000000, 0.0002718600000000 ] - [ -0.0003783000000000, 0.0000880000000000, -0.0000265700000000 ] - [ 0.0003427600000000, -0.0000345800000000, -0.0000058400000000 ] - [ 0.0002344100000000, -0.0002973900000000, -0.0015081300000000 ] - [ 0.0002634700000000, 0.0004346500000000, 0.0015075400000000 ] - [ -0.0002652400000000, -0.0002334300000000, 0.0000923000000000 ] - [ 0.0001231100000000, 0.0000283800000000, -0.0000123300000000 ] - [ 0.0003853800000000, -0.0004325400000000, 0.0005052100000000 ] - [ 0.0002295600000000, 0.0002229700000000, -0.0006351100000000 ] - [ -0.0000883600000000, 0.0000000000000000, 0.0004738800000000 ] - [ 0.0001798100000000, 0.0000000000000000, -0.0001522800000000 ] - [ 0.0000646500000000, -0.0000639900000000, -0.0000307000000000 ] - [ 0.0000646500000000, 0.0000639900000000, -0.0000307000000000 ] - [ 0.0101068900000000, 0.0000000000000000, 0.0024867300000000 ] - [ 0.0041155500000000, 0.0000000000000000, -0.0013475700000000 ] - [ -0.0000133000000000, -0.0001088800000000, -0.0000256200000000 ] - [ -0.0000133000000000, 0.0001088800000000, -0.0000256200000000 ] - [ 0.0001428900000000, 0.0000000000000000, -0.0000963100000000 ] - [ 0.0000412700000000, 0.0000000000000000, 0.0002001000000000 ] - [ 0.0000336000000000, -0.0000026300000000, -0.0000469900000000 ] - [ 0.0000336000000000, 0.0000026300000000, -0.0000469900000000 ] - [ -0.0073269600000000, 0.0001249300000000, -0.0004769700000000 ] - [ 0.0017064200000000, 0.0000998400000000, 0.0002718600000000 ] - [ 0.0005284800000000, -0.0012244500000000, -0.0003656200000000 ] - [ -0.0006157000000000, 0.0015538100000000, 0.0003955300000000 ] - [ 0.0019157400000000, 0.0000000000000000, -0.0008750100000000 ] - [ -0.0076950200000000, 0.0000000000000000, 0.0005841500000000 ] - [ -0.0000201800000000, 0.0003660300000000, -0.0000061500000000 ] - [ -0.0000201800000000, -0.0003660300000000, -0.0000061500000000 ] - [ -0.0001339100000000, 0.0000193300000000, -0.0001546100000000 ] - [ 0.0000897600000000, -0.0000952400000000, 0.0000141200000000 ] - [ 0.0000748200000000, -0.0001122100000000, -0.0000762800000000 ] - [ -0.0001035000000000, 0.0000702500000000, -0.0000074200000000 ] - [ 0.0003853800000000, 0.0004325400000000, 0.0005052100000000 ] - [ 0.0002295600000000, -0.0002229700000000, -0.0006351100000000 ] - [ 0.0001231100000000, -0.0000283800000000, -0.0000123300000000 ] - [ -0.0002652400000000, 0.0002334300000000, 0.0000923000000000 ] - [ 0.0002344100000000, 0.0002973900000000, -0.0015081300000000 ] - [ 0.0002634700000000, -0.0004346500000000, 0.0015075400000000 ] - [ 0.0003427600000000, 0.0000345800000000, -0.0000058400000000 ] - [ -0.0003783000000000, -0.0000880000000000, -0.0000265700000000 ] - [ -0.0002290600000000, 0.0025664500000000, 0.0006151500000000 ] - [ 0.0008162600000000, -0.0009471000000000, -0.0007806500000000 ] - [ 0.0013941700000000, -0.0001826500000000, 0.0006751200000000 ] - [ -0.0024707000000000, 0.0072143300000000, -0.0012891000000000 ] - [ -0.0000980500000000, 0.0000753700000000, 0.0000237900000000 ] - [ 0.0000427100000000, -0.0001494700000000, -0.0000815800000000 ] - [ 0.0001591200000000, -0.0000674500000000, -0.0000075700000000 ] - [ -0.0001425000000000, -0.0000588200000000, -0.0002837300000000 ] - [ -0.0348001300000000, 0.0000000000000000, -0.0003109200000000 ] - [ 0.0023763500000000, 0.0000000000000000, 0.0002183000000000 ] - [ 0.0000890900000000, -0.0013234000000000, 0.0000562000000000 ] - [ 0.0000890900000000, 0.0013234000000000, 0.0000562000000000 ] - [ -0.0047346100000000, 0.0000000000000000, 0.0001190000000000 ] - [ 0.0019329900000000, 0.0000000000000000, 0.0001353400000000 ] - [ 0.0000171900000000, -0.0011052100000000, 0.0001134700000000 ] - [ 0.0000171900000000, 0.0011052100000000, 0.0001134700000000 ] - [ 0.0033488200000000, -0.0013525100000000, 0.0058693700000000 ] - [ -0.0006597900000000, 0.0000559100000000, -0.0003432300000000 ] - [ 0.0001135200000000, 0.0007045400000000, -0.0004361700000000 ] - [ 0.0001554900000000, -0.0010922600000000, 0.0001876600000000 ] - [ -0.0001260300000000, 0.0012515300000000, -0.0007552900000000 ] - [ -0.0002130000000000, -0.0006124300000000, 0.0005788100000000 ] - [ 0.0011527100000000, -0.0000037700000000, 0.0017605400000000 ] - [ -0.0011274400000000, 0.0006804300000000, -0.0007778400000000 ] - [ 0.0028402700000000, 0.0000284100000000, 0.0001220000000000 ] - [ -0.0019110000000000, -0.0000183700000000, 0.0000464900000000 ] - [ -0.0071417100000000, 0.0057967400000000, 0.0019280800000000 ] - [ -0.0071882800000000, -0.0057482400000000, -0.0018978700000000 ] - [ 0.0574979100000000, 0.0000000000000000, 0.0009478400000000 ] - [ -0.0023121800000000, 0.0000000000000000, 0.0002003200000000 ] - [ 0.0000489500000000, 0.0013660900000000, 0.0003707300000000 ] - [ 0.0000489500000000, -0.0013660900000000, 0.0003707300000000 ] - [ 0.0005694000000000, 0.0000000000000000, 0.0003057500000000 ] - [ -0.0002974700000000, 0.0000000000000000, 0.0003049500000000 ] - [ -0.0000032900000000, 0.0001683000000000, 0.0003131200000000 ] - [ -0.0000032900000000, -0.0001683000000000, 0.0003131200000000 ] - [ 0.0002348100000000, 0.0000920800000000, 0.0002454300000000 ] - [ -0.0001858400000000, -0.0000028500000000, 0.0000504500000000 ] - [ -0.0001522700000000, 0.0002823500000000, -0.0001863600000000 ] - [ -0.0001066100000000, -0.0001600200000000, 0.0000913400000000 ] - [ 0.0045435900000000, 0.0000000000000000, -0.0119651900000000 ] - [ -0.0021176300000000, 0.0000000000000000, 0.0005853700000000 ] - [ -0.0003832800000000, 0.0001284300000000, -0.0001173300000000 ] - [ -0.0003832800000000, -0.0001284300000000, -0.0001173300000000 ] - [ 0.0011527100000000, 0.0000037700000000, 0.0017605400000000 ] - [ -0.0011274400000000, -0.0006804300000000, -0.0007778400000000 ] - [ -0.0002130000000000, 0.0006124300000000, 0.0005788100000000 ] - [ -0.0001260300000000, -0.0012515300000000, -0.0007552900000000 ] - [ -0.0012457300000000, 0.0000000000000000, 0.0012019300000000 ] - [ 0.0022287200000000, 0.0000000000000000, -0.0038163000000000 ] - [ 0.0003264200000000, -0.0001470400000000, -0.0000993200000000 ] - [ 0.0003264200000000, 0.0001470400000000, -0.0000993200000000 ] - [ -0.0001522700000000, -0.0002823500000000, -0.0001863600000000 ] - [ -0.0001066100000000, 0.0001600200000000, 0.0000913400000000 ] - [ -0.0001858400000000, 0.0000028500000000, 0.0000504500000000 ] - [ 0.0002348100000000, -0.0000920800000000, 0.0002454300000000 ] - [ -0.0071417100000000, -0.0057967400000000, 0.0019280800000000 ] - [ -0.0071882800000000, 0.0057482400000000, -0.0018978700000000 ] - [ -0.0019110000000000, 0.0000183700000000, 0.0000464900000000 ] - [ 0.0028402700000000, -0.0000284100000000, 0.0001220000000000 ] - [ 0.0001135200000000, -0.0007045400000000, -0.0004361700000000 ] - [ 0.0001554900000000, 0.0010922600000000, 0.0001876600000000 ] - [ -0.0006597900000000, -0.0000559100000000, -0.0003432300000000 ] - [ 0.0033488200000000, 0.0013525100000000, 0.0058693700000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000464900000000, -0.0000805200000000, -0.0048556900000000 ] - [ -0.0003756000000000, 0.0000397000000000, -0.0004126700000000 ] - [ -0.0003173400000000, 0.0005496500000000, -0.0005758100000000 ] - [ 0.0001534200000000, 0.0003451300000000, -0.0004126700000000 ] - [ -0.0004345900000000, 0.0007527300000000, 0.0116649800000000 ] - [ 0.0002293700000000, -0.0002245100000000, 0.0010484800000000 ] - [ 0.0001580400000000, -0.0002737300000000, 0.0023840100000000 ] - [ 0.0000797500000000, -0.0003108900000000, 0.0010484800000000 ] - [ -0.0000655900000000, 0.0001136100000000, -0.0011528200000000 ] - [ -0.0000159700000000, -0.0000955600000000, -0.0006164800000000 ] - [ 0.0002537000000000, -0.0004394300000000, -0.0020576000000000 ] - [ 0.0000907400000000, -0.0000339500000000, -0.0006164800000000 ] - [ -0.0005474300000000, 0.0009481800000000, 0.0000876300000000 ] - [ 0.0001716500000000, 0.0004911800000000, -0.0000560700000000 ] - [ 0.0024214800000000, -0.0041941300000000, 0.0035997100000000 ] - [ -0.0005112000000000, 0.0000969400000000, -0.0000560700000000 ] - [ -0.0003744200000000, 0.0016942100000000, -0.0007277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399100000000 ] - [ 0.0016544400000000, -0.0005228500000000, -0.0007277000000000 ] - [ -0.0012800200000000, -0.0011713600000000, -0.0007277000000000 ] - [ -0.0015736300000000, -0.0035316800000000, -0.0007326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081400000000 ] - [ -0.0022717100000000, 0.0031286500000000, -0.0007326600000000 ] - [ 0.0038453400000000, 0.0004030400000000, -0.0007326600000000 ] - [ -0.0000929700000000, 0.0000000000000000, -0.0048556900000000 ] - [ 0.0006346800000000, 0.0000000000000000, -0.0005758100000000 ] - [ 0.0002221800000000, -0.0003054300000000, -0.0004126700000000 ] - [ 0.0002221800000000, 0.0003054300000000, -0.0004126700000000 ] - [ 0.0008691700000000, 0.0000000000000000, 0.0116649800000000 ] - [ -0.0003160700000000, 0.0000000000000000, 0.0023840100000000 ] - [ -0.0003091200000000, 0.0000863800000000, 0.0010484800000000 ] - [ -0.0003091200000000, -0.0000863800000000, 0.0010484800000000 ] - [ 0.0001311800000000, 0.0000000000000000, -0.0011528200000000 ] - [ -0.0005074000000000, 0.0000000000000000, -0.0020576000000000 ] - [ -0.0000747700000000, -0.0000616100000000, -0.0006164800000000 ] - [ -0.0000747700000000, 0.0000616100000000, -0.0006164800000000 ] - [ 0.0024214800000000, 0.0041941300000000, 0.0035997100000000 ] - [ -0.0005112000000000, -0.0000969400000000, -0.0000560700000000 ] - [ 0.0001716500000000, -0.0004911800000000, -0.0000560700000000 ] - [ -0.0005474300000000, -0.0009481800000000, 0.0000876300000000 ] - [ 0.0010948600000000, 0.0000000000000000, 0.0000876300000000 ] - [ -0.0048429600000000, 0.0000000000000000, 0.0035997100000000 ] - [ 0.0003395500000000, 0.0003942400000000, -0.0000560700000000 ] - [ 0.0003395500000000, -0.0003942400000000, -0.0000560700000000 ] - [ 0.0002537000000000, 0.0004394300000000, -0.0020576000000000 ] - [ 0.0000907400000000, 0.0000339500000000, -0.0006164800000000 ] - [ -0.0000159700000000, 0.0000955600000000, -0.0006164800000000 ] - [ -0.0000655900000000, -0.0001136100000000, -0.0011528200000000 ] - [ -0.0022717100000000, -0.0031286500000000, -0.0007326600000000 ] - [ 0.0038453400000000, -0.0004030400000000, -0.0007326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081400000000 ] - [ -0.0015736300000000, 0.0035316800000000, -0.0007326600000000 ] - [ 0.0016544400000000, 0.0005228500000000, -0.0007277000000000 ] - [ -0.0012800200000000, 0.0011713600000000, -0.0007277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399100000000 ] - [ -0.0003744200000000, -0.0016942100000000, -0.0007277000000000 ] - [ 0.0001580400000000, 0.0002737300000000, 0.0023840100000000 ] - [ 0.0000797500000000, 0.0003108900000000, 0.0010484800000000 ] - [ 0.0002293700000000, 0.0002245100000000, 0.0010484800000000 ] - [ -0.0004345900000000, -0.0007527300000000, 0.0116649800000000 ] - [ -0.0003173400000000, -0.0005496500000000, -0.0005758100000000 ] - [ 0.0001534200000000, -0.0003451300000000, -0.0004126700000000 ] - [ -0.0003756000000000, -0.0000397000000000, -0.0004126700000000 ] - [ 0.0000464900000000, 0.0000805200000000, -0.0048556900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1760878900000000 ] - [ -0.0002655100000000, 0.0000000000000000, 0.0027859800000000 ] - [ 0.0001327500000000, -0.0002299400000000, 0.0027859800000000 ] - [ 0.0001327500000000, 0.0002299400000000, 0.0027859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0178134900000000 ] - [ 0.0002100600000000, 0.0000000000000000, -0.0015521400000000 ] - [ -0.0001050300000000, 0.0001819200000000, -0.0015521400000000 ] - [ -0.0001050300000000, -0.0001819200000000, -0.0015521400000000 ] - [ -0.0127457800000000, 0.0220763300000000, 0.0062644200000000 ] - [ 0.0013881500000000, 0.0000642900000000, -0.0006014100000000 ] - [ 0.0014768800000000, -0.0025580300000000, -0.0009147000000000 ] - [ -0.0007497500000000, -0.0011700300000000, -0.0006014100000000 ] - [ 0.0005342900000000, -0.0009254100000000, 0.0007740200000000 ] - [ -0.0004794300000000, -0.0000798100000000, 0.0004567900000000 ] - [ -0.0017192600000000, 0.0029778400000000, 0.0066696200000000 ] - [ 0.0003088400000000, 0.0003752900000000, 0.0004567900000000 ] - [ 0.0003613800000000, -0.0053159000000000, -0.0030371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005928400000000 ] - [ -0.0047844000000000, 0.0023449900000000, -0.0030371400000000 ] - [ 0.0044230200000000, 0.0029709100000000, -0.0030371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2262469400000000 ] - [ 0.0001069200000000, 0.0000000000000000, -0.0021274100000000 ] - [ -0.0000534600000000, 0.0000926000000000, -0.0021274100000000 ] - [ -0.0000534600000000, -0.0000926000000000, -0.0021274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095748000000000 ] - [ 0.0000027700000000, 0.0000000000000000, 0.0019840800000000 ] - [ -0.0000013800000000, 0.0000024000000000, 0.0019840800000000 ] - [ -0.0000013800000000, -0.0000024000000000, 0.0019840800000000 ] - [ 0.0004890700000000, 0.0009076100000000, 0.0029432300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007792200000000 ] - [ 0.0005414800000000, -0.0008773500000000, 0.0029432300000000 ] - [ -0.0010305500000000, -0.0000302600000000, 0.0029432300000000 ] - [ 0.0254915500000000, 0.0000000000000000, 0.0062644200000000 ] - [ -0.0029537600000000, 0.0000000000000000, -0.0009147000000000 ] - [ -0.0006384000000000, 0.0012343200000000, -0.0006014100000000 ] - [ -0.0006384000000000, -0.0012343200000000, -0.0006014100000000 ] - [ -0.0017192600000000, -0.0029778400000000, 0.0066696200000000 ] - [ 0.0003088400000000, -0.0003752900000000, 0.0004567900000000 ] - [ -0.0004794300000000, 0.0000798100000000, 0.0004567900000000 ] - [ 0.0005342900000000, 0.0009254100000000, 0.0007740200000000 ] - [ -0.0010685700000000, 0.0000000000000000, 0.0007740200000000 ] - [ 0.0034385100000000, 0.0000000000000000, 0.0066696200000000 ] - [ 0.0001705900000000, -0.0004551000000000, 0.0004567900000000 ] - [ 0.0001705900000000, 0.0004551000000000, 0.0004567900000000 ] - [ 0.0005414800000000, 0.0008773500000000, 0.0029432300000000 ] - [ -0.0010305500000000, 0.0000302600000000, 0.0029432300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007792200000000 ] - [ 0.0004890700000000, -0.0009076100000000, 0.0029432300000000 ] - [ -0.0047844000000000, -0.0023449900000000, -0.0030371400000000 ] - [ 0.0044230200000000, -0.0029709100000000, -0.0030371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005928400000000 ] - [ 0.0003613800000000, 0.0053159000000000, -0.0030371400000000 ] - [ 0.0014768800000000, 0.0025580300000000, -0.0009147000000000 ] - [ -0.0007497500000000, 0.0011700300000000, -0.0006014100000000 ] - [ 0.0013881500000000, -0.0000642900000000, -0.0006014100000000 ] - [ -0.0127457800000000, -0.0220763300000000, 0.0062644200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000942200000000, 0.0001631900000000, 0.0047731700000000 ] - [ 0.0003208600000000, 0.0000528700000000, 0.0003669000000000 ] - [ 0.0002570100000000, -0.0004451600000000, 0.0005345400000000 ] - [ -0.0002062200000000, -0.0002514300000000, 0.0003669000000000 ] - [ 0.0003940500000000, -0.0006825100000000, -0.0116635600000000 ] - [ -0.0001835500000000, 0.0001622500000000, -0.0011135900000000 ] - [ -0.0001053300000000, 0.0001824400000000, -0.0024577900000000 ] - [ -0.0000487400000000, 0.0002400800000000, -0.0011135900000000 ] - [ 0.0000404000000000, -0.0000699700000000, 0.0010269700000000 ] - [ -0.0000214200000000, 0.0001609700000000, 0.0005245200000000 ] - [ -0.0002940800000000, 0.0005093700000000, 0.0019692300000000 ] - [ -0.0001286900000000, 0.0000990300000000, 0.0005245200000000 ] - [ 0.0006028900000000, -0.0010442300000000, -0.0001431300000000 ] - [ -0.0001113200000000, -0.0005787100000000, 0.0000010200000000 ] - [ -0.0022191000000000, 0.0038436000000000, -0.0038842700000000 ] - [ 0.0005568400000000, -0.0001929500000000, 0.0000010200000000 ] - [ 0.0003901500000000, -0.0017093700000000, 0.0006625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001878300000000 ] - [ -0.0016754400000000, 0.0005168100000000, 0.0006625400000000 ] - [ 0.0012852900000000, 0.0011925700000000, 0.0006625400000000 ] - [ 0.0015480900000000, 0.0034986600000000, 0.0006850000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000368100000000 ] - [ 0.0022558800000000, -0.0030900200000000, 0.0006850000000000 ] - [ -0.0038039700000000, -0.0004086400000000, 0.0006850000000000 ] - [ 0.0001884300000000, 0.0000000000000000, 0.0047731700000000 ] - [ -0.0005140200000000, 0.0000000000000000, 0.0005345400000000 ] - [ -0.0001146400000000, 0.0003043000000000, 0.0003669000000000 ] - [ -0.0001146400000000, -0.0003043000000000, 0.0003669000000000 ] - [ -0.0007881000000000, 0.0000000000000000, -0.0116635600000000 ] - [ 0.0002106600000000, 0.0000000000000000, -0.0024577900000000 ] - [ 0.0002322800000000, -0.0000778300000000, -0.0011135900000000 ] - [ 0.0002322800000000, 0.0000778300000000, -0.0011135900000000 ] - [ -0.0000807900000000, 0.0000000000000000, 0.0010269700000000 ] - [ 0.0005881700000000, 0.0000000000000000, 0.0019692300000000 ] - [ 0.0001501100000000, 0.0000619300000000, 0.0005245200000000 ] - [ 0.0001501100000000, -0.0000619300000000, 0.0005245200000000 ] - [ -0.0022191000000000, -0.0038436000000000, -0.0038842700000000 ] - [ 0.0005568400000000, 0.0001929500000000, 0.0000010200000000 ] - [ -0.0001113200000000, 0.0005787100000000, 0.0000010200000000 ] - [ 0.0006028900000000, 0.0010442300000000, -0.0001431300000000 ] - [ -0.0012057700000000, 0.0000000000000000, -0.0001431300000000 ] - [ 0.0044382100000000, 0.0000000000000000, -0.0038842700000000 ] - [ -0.0004455200000000, -0.0003857600000000, 0.0000010200000000 ] - [ -0.0004455200000000, 0.0003857600000000, 0.0000010200000000 ] - [ -0.0002940800000000, -0.0005093700000000, 0.0019692300000000 ] - [ -0.0001286900000000, -0.0000990300000000, 0.0005245200000000 ] - [ -0.0000214200000000, -0.0001609700000000, 0.0005245200000000 ] - [ 0.0000404000000000, 0.0000699700000000, 0.0010269700000000 ] - [ 0.0022558800000000, 0.0030900200000000, 0.0006850000000000 ] - [ -0.0038039700000000, 0.0004086400000000, 0.0006850000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000368100000000 ] - [ 0.0015480900000000, -0.0034986600000000, 0.0006850000000000 ] - [ -0.0016754400000000, -0.0005168100000000, 0.0006625400000000 ] - [ 0.0012852900000000, -0.0011925700000000, 0.0006625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001878300000000 ] - [ 0.0003901500000000, 0.0017093700000000, 0.0006625400000000 ] - [ -0.0001053300000000, -0.0001824400000000, -0.0024577900000000 ] - [ -0.0000487400000000, -0.0002400800000000, -0.0011135900000000 ] - [ -0.0001835500000000, -0.0001622500000000, -0.0011135900000000 ] - [ 0.0003940500000000, 0.0006825100000000, -0.0116635600000000 ] - [ 0.0002570100000000, 0.0004451600000000, 0.0005345400000000 ] - [ -0.0002062200000000, 0.0002514300000000, 0.0003669000000000 ] - [ 0.0003208600000000, -0.0000528700000000, 0.0003669000000000 ] - [ -0.0000942200000000, -0.0001631900000000, 0.0047731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1656853800000000 ] - [ 0.0002328600000000, 0.0000000000000000, -0.0025053000000000 ] - [ -0.0001164300000000, 0.0002016600000000, -0.0025053000000000 ] - [ -0.0001164300000000, -0.0002016600000000, -0.0025053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0181771200000000 ] - [ -0.0001693900000000, 0.0000000000000000, 0.0017322200000000 ] - [ 0.0000846900000000, -0.0001466900000000, 0.0017322200000000 ] - [ 0.0000846900000000, 0.0001466900000000, 0.0017322200000000 ] - [ 0.0129119800000000, -0.0223642000000000, -0.0065206300000000 ] - [ -0.0010143400000000, -0.0006813000000000, 0.0003547400000000 ] - [ -0.0011231800000000, 0.0019454000000000, 0.0006494000000000 ] - [ 0.0010972000000000, 0.0005378000000000, 0.0003547400000000 ] - [ -0.0008876000000000, 0.0015373700000000, -0.0010149400000000 ] - [ 0.0001092800000000, 0.0007219800000000, -0.0006800600000000 ] - [ 0.0014047000000000, -0.0024330200000000, -0.0069076500000000 ] - [ -0.0006798900000000, 0.0002663500000000, -0.0006800600000000 ] - [ -0.0003328300000000, 0.0052296500000000, 0.0032480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007496000000000 ] - [ 0.0046954200000000, -0.0023265800000000, 0.0032480100000000 ] - [ -0.0043625900000000, -0.0029030600000000, 0.0032480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2170799600000000 ] - [ -0.0001122100000000, 0.0000000000000000, 0.0027069700000000 ] - [ 0.0000561100000000, -0.0000971800000000, 0.0027069700000000 ] - [ 0.0000561100000000, 0.0000971800000000, 0.0027069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089464400000000 ] - [ 0.0000023500000000, 0.0000000000000000, -0.0013279200000000 ] - [ -0.0000011700000000, 0.0000020300000000, -0.0013279200000000 ] - [ -0.0000011700000000, -0.0000020300000000, -0.0013279200000000 ] - [ -0.0005224600000000, -0.0008915400000000, -0.0027335800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006107100000000 ] - [ -0.0005108700000000, 0.0008982300000000, -0.0027335800000000 ] - [ 0.0010333300000000, -0.0000066900000000, -0.0027335800000000 ] - [ -0.0258239600000000, 0.0000000000000000, -0.0065206300000000 ] - [ 0.0022463600000000, 0.0000000000000000, 0.0006494000000000 ] - [ -0.0000828500000000, -0.0012191000000000, 0.0003547400000000 ] - [ -0.0000828500000000, 0.0012191000000000, 0.0003547400000000 ] - [ 0.0014047000000000, 0.0024330200000000, -0.0069076500000000 ] - [ -0.0006798900000000, -0.0002663500000000, -0.0006800600000000 ] - [ 0.0001092800000000, -0.0007219800000000, -0.0006800600000000 ] - [ -0.0008876000000000, -0.0015373700000000, -0.0010149400000000 ] - [ 0.0017752000000000, 0.0000000000000000, -0.0010149400000000 ] - [ -0.0028094100000000, 0.0000000000000000, -0.0069076500000000 ] - [ 0.0005706100000000, 0.0004556300000000, -0.0006800600000000 ] - [ 0.0005706100000000, -0.0004556300000000, -0.0006800600000000 ] - [ -0.0005108700000000, -0.0008982300000000, -0.0027335800000000 ] - [ 0.0010333300000000, 0.0000066900000000, -0.0027335800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006107100000000 ] - [ -0.0005224600000000, 0.0008915400000000, -0.0027335800000000 ] - [ 0.0046954200000000, 0.0023265800000000, 0.0032480100000000 ] - [ -0.0043625900000000, 0.0029030600000000, 0.0032480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007496000000000 ] - [ -0.0003328300000000, -0.0052296500000000, 0.0032480100000000 ] - [ -0.0011231800000000, -0.0019454000000000, 0.0006494000000000 ] - [ 0.0010972000000000, -0.0005378000000000, 0.0003547400000000 ] - [ -0.0010143400000000, 0.0006813000000000, 0.0003547400000000 ] - [ 0.0129119800000000, 0.0223642000000000, -0.0065206300000000 ]