# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/95dbc5f5-6c8b-4301-b15c-1f42ec63c4df/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 Rb2Mn3Se4 / Ibam (72) / materials id 4052](https://mdr.nims.go.jp/datasets/3a349827-9487-41af-8fca-274ecfa6e690) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Ibam" number: 72 Hall_symbol: "-I 2 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.651767190000000, 5.351918950000000, 6.968318595000000 ] # a - [ 2.651767190000000, -5.351918950000000, 6.968318595000000 ] # b - [ 2.651767190000000, 5.351918950000000, -6.968318595000000 ] # c points: - symbol: Mn # 1 coordinates: [ 0.496258780000000, 0.750000000000000, 0.746258780000000 ] mass: 54.938045 - symbol: Mn # 2 coordinates: [ 0.003741220000000, 0.750000000000000, 0.253741220000000 ] mass: 54.938045 - symbol: Mn # 3 coordinates: [ 0.503741220000000, 0.250000000000000, 0.253741220000000 ] mass: 54.938045 - symbol: Mn # 4 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 54.938045 - symbol: Mn # 5 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 54.938045 - symbol: Mn # 6 coordinates: [ 0.996258780000000, 0.250000000000000, 0.746258780000000 ] mass: 54.938045 - symbol: Se # 7 coordinates: [ 0.219217330000000, 0.096511670000000, 0.627072940000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.280782670000000, 0.907855610000000, 0.877294340000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.030561270000000, 0.403488330000000, 0.122705660000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.469438730000000, 0.592144390000000, 0.372927060000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.780782670000000, 0.903488330000000, 0.372927060000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.719217330000000, 0.092144390000000, 0.122705660000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.969438730000000, 0.596511670000000, 0.877294340000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.530561270000000, 0.407855610000000, 0.627072940000000 ] mass: 78.960000 - symbol: Rb # 15 coordinates: [ 0.124908590000000, 0.253544150000000, 0.378452740000000 ] mass: 85.467800 - symbol: Rb # 16 coordinates: [ 0.375091410000000, 0.753544150000000, 0.128635560000000 ] mass: 85.467800 - symbol: Rb # 17 coordinates: [ 0.624908590000000, 0.246455850000000, 0.871364440000000 ] mass: 85.467800 - symbol: Rb # 18 coordinates: [ 0.875091410000000, 0.746455850000000, 0.621547260000000 ] mass: 85.467800 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.093424434239610, 0.071753320859750 ] # a* - [ 0.188553505709526, 0.000000000000000, 0.071753320859750 ] # b* - [ 0.188553505709526, 0.093424434239610, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.303534380000000, -0.000000000000000, 0.000000000000000 ] # a - [ -0.000000000000000, 10.703837900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.936637190000001 ] # c points: - symbol: Mn # 1 coordinates: [ 0.500000000000000, 0.246258780000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 2 coordinates: [ 0.500000000000000, 0.753741220000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 2 - symbol: Mn # 3 coordinates: [ 0.500000000000000, 0.753741220000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 3 - symbol: Mn # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 4 - symbol: Mn # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 6 coordinates: [ 0.500000000000000, 0.246258780000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 6 - symbol: Mn # 7 coordinates: [ 0.000000000000000, 0.746258780000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 8 coordinates: [ 0.000000000000000, 0.253741220000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 2 - symbol: Mn # 9 coordinates: [ 0.000000000000000, 0.253741220000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 3 - symbol: Mn # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 4 - symbol: Mn # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 12 coordinates: [ 0.000000000000000, 0.746258780000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 6 - symbol: Se # 13 coordinates: [ 0.252183640000000, 0.374889300000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.252183640000000, 0.625110700000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.747816360000000, 0.374889300000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.747816360000000, 0.625110700000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.747816360000000, 0.625110700000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.747816360000000, 0.374889300000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.252183640000000, 0.625110700000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.252183640000000, 0.374889300000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.752183640000000, 0.874889300000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 22 coordinates: [ 0.752183640000000, 0.125110700000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 23 coordinates: [ 0.247816360000000, 0.874889300000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 24 coordinates: [ 0.247816360000000, 0.125110700000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 25 coordinates: [ 0.247816360000000, 0.125110700000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 26 coordinates: [ 0.247816360000000, 0.874889300000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 27 coordinates: [ 0.752183640000000, 0.125110700000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 28 coordinates: [ 0.752183640000000, 0.874889300000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 20 - symbol: Rb # 29 coordinates: [ 0.253544150000000, 0.124908590000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 29 - symbol: Rb # 30 coordinates: [ 0.753544150000000, 0.375091410000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 30 - symbol: Rb # 31 coordinates: [ 0.246455850000000, 0.624908590000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 32 coordinates: [ 0.746455850000000, 0.875091410000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 32 - symbol: Rb # 33 coordinates: [ 0.753544150000000, 0.624908590000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 29 - symbol: Rb # 34 coordinates: [ 0.253544150000000, 0.875091410000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 30 - symbol: Rb # 35 coordinates: [ 0.746455850000000, 0.124908590000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 36 coordinates: [ 0.246455850000000, 0.375091410000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 32supercell: lattice: - [ 10.607068760000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 21.407675800000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.936637190000001 ] # c points: - symbol: Mn # 1 coordinates: [ 0.250000000000000, 0.123129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 2 coordinates: [ 0.750000000000000, 0.123129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 3 coordinates: [ 0.250000000000000, 0.623129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 4 coordinates: [ 0.750000000000000, 0.623129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 5 coordinates: [ 0.250000000000000, 0.376870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 6 coordinates: [ 0.750000000000000, 0.376870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 7 coordinates: [ 0.250000000000000, 0.876870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 8 coordinates: [ 0.750000000000000, 0.876870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 9 coordinates: [ 0.250000000000000, 0.376870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 10 coordinates: [ 0.750000000000000, 0.376870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 11 coordinates: [ 0.250000000000000, 0.876870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 12 coordinates: [ 0.750000000000000, 0.876870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 13 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 14 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 15 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 16 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 17 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 18 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 19 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 20 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 21 coordinates: [ 0.250000000000000, 0.123129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Mn # 22 coordinates: [ 0.750000000000000, 0.123129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Mn # 23 coordinates: [ 0.250000000000000, 0.623129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Mn # 24 coordinates: [ 0.750000000000000, 0.623129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Mn # 25 coordinates: [ 0.000000000000000, 0.373129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 26 coordinates: [ 0.500000000000000, 0.373129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 27 coordinates: [ 0.000000000000000, 0.873129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 28 coordinates: [ 0.500000000000000, 0.873129390000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 1 - symbol: Mn # 29 coordinates: [ 0.000000000000000, 0.126870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 30 coordinates: [ 0.500000000000000, 0.126870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 31 coordinates: [ 0.000000000000000, 0.626870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 32 coordinates: [ 0.500000000000000, 0.626870610000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 5 - symbol: Mn # 33 coordinates: [ 0.000000000000000, 0.126870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 34 coordinates: [ 0.500000000000000, 0.126870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 35 coordinates: [ 0.000000000000000, 0.626870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 36 coordinates: [ 0.500000000000000, 0.626870610000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 9 - symbol: Mn # 37 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 38 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 39 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 40 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 54.938045 reduced_to: 13 - symbol: Mn # 41 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 42 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 43 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 44 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 17 - symbol: Mn # 45 coordinates: [ 0.000000000000000, 0.373129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Mn # 46 coordinates: [ 0.500000000000000, 0.373129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Mn # 47 coordinates: [ 0.000000000000000, 0.873129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Mn # 48 coordinates: [ 0.500000000000000, 0.873129390000000, 0.250000000000000 ] mass: 54.938045 reduced_to: 21 - symbol: Se # 49 coordinates: [ 0.126091820000000, 0.187444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.626091820000000, 0.187444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.126091820000000, 0.687444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.626091820000000, 0.687444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 53 coordinates: [ 0.126091820000000, 0.312555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.626091820000000, 0.312555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 55 coordinates: [ 0.126091820000000, 0.812555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 56 coordinates: [ 0.626091820000000, 0.812555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 57 coordinates: [ 0.373908180000000, 0.187444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.873908180000000, 0.187444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 59 coordinates: [ 0.373908180000000, 0.687444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 60 coordinates: [ 0.873908180000000, 0.687444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 61 coordinates: [ 0.373908180000000, 0.312555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.873908180000000, 0.312555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 63 coordinates: [ 0.373908180000000, 0.812555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 64 coordinates: [ 0.873908180000000, 0.812555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 65 coordinates: [ 0.373908180000000, 0.312555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.873908180000000, 0.312555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 67 coordinates: [ 0.373908180000000, 0.812555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 68 coordinates: [ 0.873908180000000, 0.812555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 69 coordinates: [ 0.373908180000000, 0.187444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.873908180000000, 0.187444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 71 coordinates: [ 0.373908180000000, 0.687444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 72 coordinates: [ 0.873908180000000, 0.687444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 73 coordinates: [ 0.126091820000000, 0.312555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.626091820000000, 0.312555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.126091820000000, 0.812555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.626091820000000, 0.812555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.126091820000000, 0.187444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.626091820000000, 0.187444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 79 coordinates: [ 0.126091820000000, 0.687444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 80 coordinates: [ 0.626091820000000, 0.687444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 81 coordinates: [ 0.376091820000000, 0.437444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 82 coordinates: [ 0.876091820000000, 0.437444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 83 coordinates: [ 0.376091820000000, 0.937444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 84 coordinates: [ 0.876091820000000, 0.937444650000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 85 coordinates: [ 0.376091820000000, 0.062555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 86 coordinates: [ 0.876091820000000, 0.062555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 87 coordinates: [ 0.376091820000000, 0.562555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 88 coordinates: [ 0.876091820000000, 0.562555350000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 89 coordinates: [ 0.123908180000000, 0.437444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 90 coordinates: [ 0.623908180000000, 0.437444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 91 coordinates: [ 0.123908180000000, 0.937444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 92 coordinates: [ 0.623908180000000, 0.937444650000000, 0.155671970000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 93 coordinates: [ 0.123908180000000, 0.062555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 94 coordinates: [ 0.623908180000000, 0.062555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 95 coordinates: [ 0.123908180000000, 0.562555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 96 coordinates: [ 0.623908180000000, 0.562555350000000, 0.344328030000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 97 coordinates: [ 0.123908180000000, 0.062555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 98 coordinates: [ 0.623908180000000, 0.062555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 99 coordinates: [ 0.123908180000000, 0.562555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 100 coordinates: [ 0.623908180000000, 0.562555350000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 101 coordinates: [ 0.123908180000000, 0.437444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 102 coordinates: [ 0.623908180000000, 0.437444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 103 coordinates: [ 0.123908180000000, 0.937444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 104 coordinates: [ 0.623908180000000, 0.937444650000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 105 coordinates: [ 0.376091820000000, 0.062555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 106 coordinates: [ 0.876091820000000, 0.062555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 107 coordinates: [ 0.376091820000000, 0.562555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 108 coordinates: [ 0.876091820000000, 0.562555350000000, 0.844328030000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 109 coordinates: [ 0.376091820000000, 0.437444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 110 coordinates: [ 0.876091820000000, 0.437444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 111 coordinates: [ 0.376091820000000, 0.937444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 112 coordinates: [ 0.876091820000000, 0.937444650000000, 0.655671970000000 ] mass: 78.960000 reduced_to: 77 - symbol: Rb # 113 coordinates: [ 0.126772075000000, 0.062454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 114 coordinates: [ 0.626772075000000, 0.062454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 115 coordinates: [ 0.126772075000000, 0.562454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 116 coordinates: [ 0.626772075000000, 0.562454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 117 coordinates: [ 0.376772075000000, 0.187545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 118 coordinates: [ 0.876772075000000, 0.187545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 119 coordinates: [ 0.376772075000000, 0.687545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 120 coordinates: [ 0.876772075000000, 0.687545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 121 coordinates: [ 0.123227925000000, 0.312454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 122 coordinates: [ 0.623227925000000, 0.312454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 123 coordinates: [ 0.123227925000000, 0.812454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 124 coordinates: [ 0.623227925000000, 0.812454295000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 125 coordinates: [ 0.373227925000000, 0.437545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 126 coordinates: [ 0.873227925000000, 0.437545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 127 coordinates: [ 0.373227925000000, 0.937545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 128 coordinates: [ 0.873227925000000, 0.937545705000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 129 coordinates: [ 0.376772075000000, 0.312454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 130 coordinates: [ 0.876772075000000, 0.312454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 131 coordinates: [ 0.376772075000000, 0.812454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 132 coordinates: [ 0.876772075000000, 0.812454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 133 coordinates: [ 0.126772075000000, 0.437545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 134 coordinates: [ 0.626772075000000, 0.437545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 135 coordinates: [ 0.126772075000000, 0.937545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 136 coordinates: [ 0.626772075000000, 0.937545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 117 - symbol: Rb # 137 coordinates: [ 0.373227925000000, 0.062454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 138 coordinates: [ 0.873227925000000, 0.062454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 139 coordinates: [ 0.373227925000000, 0.562454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 140 coordinates: [ 0.873227925000000, 0.562454295000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 121 - symbol: Rb # 141 coordinates: [ 0.123227925000000, 0.187545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 142 coordinates: [ 0.623227925000000, 0.187545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 143 coordinates: [ 0.123227925000000, 0.687545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 125 - symbol: Rb # 144 coordinates: [ 0.623227925000000, 0.687545705000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1589264000000000, -0.0001997900000000, -0.0046251200000000 ] - [ 0.0049145400000000, -0.0001141900000000, -0.0039710300000000 ] - [ 0.0002432500000000, -0.0001510600000000, 0.0000703600000000 ] - [ 0.0006347300000000, -0.0001472500000000, -0.0001478300000000 ] - [ 0.0009943200000000, 0.0001834900000000, 0.0003655800000000 ] - [ 0.0006931600000000, 0.0001518200000000, -0.0002622700000000 ] - [ 0.0001329500000000, 0.0000853700000000, -0.0000155300000000 ] - [ 0.0006849800000000, 0.0001136800000000, 0.0002206600000000 ] - [ 0.0005434500000000, 0.0001144600000000, -0.0003807800000000 ] - [ -0.0001401000000000, 0.0001549700000000, 0.0006997700000000 ] - [ -0.0000373100000000, 0.0001075900000000, 0.0005227500000000 ] - [ 0.0005099500000000, 0.0001061200000000, -0.0003250700000000 ] - [ -0.0010183200000000, -0.0015649500000000, -0.0022404900000000 ] - [ -0.0010251900000000, 0.0015676500000000, -0.0022260800000000 ] - [ -0.0001165400000000, -0.0001742900000000, -0.0001815300000000 ] - [ -0.0001136800000000, 0.0001609500000000, -0.0002153800000000 ] - [ -0.0001356000000000, 0.0000498900000000, -0.0000737100000000 ] - [ -0.0001354000000000, 0.0000252200000000, -0.0000813800000000 ] - [ -0.0001527700000000, -0.0005712200000000, 0.0001475800000000 ] - [ -0.0001559200000000, 0.0005487300000000, 0.0001593600000000 ] - [ 0.0012931400000000, -0.0000966600000000, 0.0006837400000000 ] - [ -0.0005513800000000, -0.0001140500000000, -0.0008026400000000 ] - [ 0.0001438200000000, -0.0001032700000000, -0.0001161100000000 ] - [ 0.0003969500000000, -0.0001325600000000, 0.0000053400000000 ] - [ -0.0002800300000000, -0.0009036100000000, -0.0000429700000000 ] - [ -0.0002852700000000, 0.0003936800000000, -0.0000182600000000 ] - [ -0.0002594000000000, 0.0005267400000000, -0.0002103400000000 ] - [ -0.0003046500000000, -0.0009222900000000, -0.0001969700000000 ] - [ -0.0001120800000000, 0.0008616600000000, 0.0001713500000000 ] - [ -0.0001538000000000, -0.0004196900000000, 0.0001418500000000 ] - [ -0.0003346900000000, 0.0002362800000000, 0.0000157100000000 ] - [ -0.0003410000000000, 0.0001947500000000, 0.0000075200000000 ] - [ 0.0149178500000000, -0.0007209200000000, 0.0062646200000000 ] - [ 0.0160092800000000, 0.0012748700000000, 0.0063210400000000 ] - [ -0.0005523400000000, 0.0004069000000000, 0.0002102900000000 ] - [ -0.0005455400000000, 0.0000412500000000, 0.0002182000000000 ] - [ -0.0000181100000000, -0.0000112600000000, -0.0003984700000000 ] - [ 0.0002875300000000, 0.0000045400000000, -0.0000360500000000 ] - [ 0.0003591300000000, -0.0000185300000000, -0.0001287600000000 ] - [ 0.0001337400000000, -0.0000285900000000, 0.0001360300000000 ] - [ 0.0010494500000000, 0.0001289500000000, 0.0033355600000000 ] - [ 0.0020911500000000, 0.0000064600000000, -0.0019142800000000 ] - [ 0.0002790800000000, -0.0000161400000000, -0.0000989700000000 ] - [ 0.0000028100000000, 0.0000032300000000, 0.0000766300000000 ] - [ -0.0007039100000000, -0.0006243200000000, -0.0002326900000000 ] - [ -0.0006975200000000, 0.0001767800000000, -0.0002084200000000 ] - [ -0.0006772800000000, 0.0005747200000000, 0.0000244800000000 ] - [ -0.0007245400000000, -0.0010046600000000, -0.0000088200000000 ] - [ 0.0000840200000000, -0.0004019700000000, 0.0001276400000000 ] - [ -0.0001857500000000, -0.0002580600000000, -0.0003982800000000 ] - [ -0.0000264500000000, -0.0001324300000000, -0.0003184500000000 ] - [ 0.0000821500000000, -0.0002857200000000, 0.0000218000000000 ] - [ 0.0000603100000000, 0.0001375500000000, -0.0001986700000000 ] - [ 0.0000025600000000, 0.0002437100000000, 0.0004369800000000 ] - [ -0.0000337900000000, 0.0002138100000000, 0.0001426300000000 ] - [ 0.0000875900000000, 0.0002390800000000, -0.0000019700000000 ] - [ 0.0002471200000000, 0.0001032800000000, 0.0006850100000000 ] - [ -0.0000082900000000, -0.0000227200000000, 0.0001167800000000 ] - [ 0.0001129300000000, -0.0002118000000000, 0.0002675700000000 ] - [ 0.0002227500000000, -0.0000629600000000, 0.0005926700000000 ] - [ 0.0001975600000000, 0.0002321200000000, -0.0008438300000000 ] - [ 0.0001521300000000, 0.0001127000000000, -0.0001851800000000 ] - [ 0.0001290600000000, 0.0001001200000000, -0.0004203200000000 ] - [ 0.0002534600000000, 0.0000647400000000, -0.0005203200000000 ] - [ 0.0005022200000000, 0.0002738300000000, 0.0015703000000000 ] - [ 0.0000411100000000, 0.0002354900000000, 0.0001114400000000 ] - [ 0.0004079000000000, 0.0000067100000000, 0.0006009000000000 ] - [ 0.0000644700000000, -0.0001268400000000, 0.0006797700000000 ] - [ 0.0281875200000000, 0.0197814800000000, 0.0225504300000000 ] - [ 0.0023711200000000, -0.0006514000000000, -0.0004081500000000 ] - [ 0.0001893600000000, 0.0000045100000000, -0.0005271000000000 ] - [ 0.0002145000000000, -0.0001523300000000, -0.0006198200000000 ] - [ 0.0003497100000000, 0.0000414500000000, 0.0010302600000000 ] - [ -0.0001054400000000, 0.0001171900000000, -0.0004793200000000 ] - [ 0.0002549300000000, 0.0002686100000000, 0.0000124700000000 ] - [ -0.0001066200000000, 0.0003860200000000, 0.0001709000000000 ] - [ 0.0274643500000000, -0.0193183900000000, 0.0223539100000000 ] - [ 0.0022186100000000, 0.0003539500000000, 0.0000849800000000 ] - [ 0.0000610000000000, -0.0003040500000000, 0.0000549100000000 ] - [ 0.0000959100000000, -0.0001484100000000, -0.0000099200000000 ] - [ -0.0001253800000000, -0.0002368300000000, -0.0003680600000000 ] - [ -0.0000858300000000, -0.0000313900000000, -0.0005659800000000 ] - [ -0.0003392600000000, 0.0004014800000000, -0.0022156100000000 ] - [ -0.0003751900000000, 0.0000328400000000, -0.0002161300000000 ] - [ 0.0317356100000000, -0.0272315400000000, -0.0231446700000000 ] - [ -0.0008877900000000, 0.0002317400000000, 0.0009259700000000 ] - [ -0.0001499600000000, 0.0001819400000000, 0.0003193000000000 ] - [ -0.0002275100000000, 0.0000656200000000, 0.0005164300000000 ] - [ -0.0000560700000000, -0.0001225100000000, 0.0002491900000000 ] - [ 0.0000221100000000, -0.0003632700000000, 0.0000532100000000 ] - [ -0.0002121300000000, -0.0007532200000000, -0.0016575500000000 ] - [ -0.0002677200000000, -0.0003143300000000, 0.0003147800000000 ] - [ 0.0311954100000000, 0.0266633100000000, -0.0228820200000000 ] - [ -0.0008362800000000, 0.0000876100000000, 0.0003988900000000 ] - [ -0.0000072000000000, 0.0001745400000000, -0.0002569100000000 ] - [ -0.0000864600000000, 0.0002974300000000, -0.0000685400000000 ] - [ -0.0004096200000000, 0.0005443400000000, 0.0000321100000000 ] - [ 0.0002310800000000, 0.0001747800000000, 0.0003569300000000 ] - [ 0.0000165800000000, 0.0001547700000000, 0.0003519200000000 ] - [ -0.0000931600000000, 0.0002989800000000, 0.0000362100000000 ] - [ -0.0001728700000000, -0.0002245800000000, -0.0002224000000000 ] - [ 0.0000923700000000, -0.0002409800000000, -0.0003248700000000 ] - [ 0.0001245700000000, -0.0002047600000000, 0.0001591900000000 ] - [ -0.0001789500000000, -0.0002999800000000, -0.0000501000000000 ] - [ -0.0005146900000000, -0.0001928700000000, -0.0005380600000000 ] - [ 0.0001482800000000, 0.0001254200000000, -0.0002087600000000 ] - [ -0.0000573600000000, 0.0002479400000000, -0.0002270000000000 ] - [ -0.0001885800000000, 0.0000774300000000, -0.0005456000000000 ] - [ -0.0002495200000000, -0.0002186200000000, 0.0003970400000000 ] - [ 0.0000114800000000, -0.0001573600000000, 0.0003088300000000 ] - [ 0.0000254800000000, -0.0001513200000000, 0.0007608200000000 ] - [ -0.0002764600000000, -0.0000187600000000, 0.0005280100000000 ] - [ 0.0001526000000000, 0.0002011800000000, 0.0002342200000000 ] - [ 0.0001892800000000, 0.0000593900000000, -0.0001019700000000 ] - [ 0.0000713900000000, 0.0000539100000000, -0.0000004900000000 ] - [ 0.0000897900000000, -0.0000029500000000, 0.0000174900000000 ] - [ 0.0000661900000000, 0.0000895600000000, 0.0000093900000000 ] - [ 0.0003014900000000, 0.0000072800000000, 0.0000268200000000 ] - [ 0.0001176500000000, 0.0000251800000000, -0.0000246100000000 ] - [ 0.0001359300000000, -0.0001559000000000, 0.0000330000000000 ] - [ -0.0000262300000000, -0.0002586300000000, 0.0001946200000000 ] - [ -0.0000810400000000, 0.0000819300000000, 0.0000681600000000 ] - [ -0.0000982300000000, 0.0000433900000000, 0.0000296000000000 ] - [ 0.0000282800000000, -0.0001187800000000, -0.0000438700000000 ] - [ -0.0000997300000000, -0.0000826400000000, 0.0000075200000000 ] - [ -0.0001719400000000, -0.0000609600000000, -0.0000106600000000 ] - [ -0.0003351800000000, -0.0001937600000000, -0.0001410700000000 ] - [ 0.0000567100000000, -0.0000889600000000, -0.0000217000000000 ] - [ 0.0001909600000000, 0.0003210500000000, 0.0002188000000000 ] - [ 0.0001365900000000, -0.0000140400000000, 0.0000814700000000 ] - [ 0.0001145300000000, 0.0000007000000000, 0.0000244000000000 ] - [ 0.0002489900000000, 0.0001533500000000, -0.0000468100000000 ] - [ 0.0000959100000000, -0.0000385600000000, 0.0000008800000000 ] - [ 0.0000326000000000, -0.0000508800000000, -0.0000083800000000 ] - [ -0.0001436100000000, 0.0000933000000000, -0.0001361200000000 ] - [ 0.0002515700000000, 0.0000128500000000, -0.0000174600000000 ] - [ -0.0000433800000000, -0.0000764200000000, 0.0001928600000000 ] - [ -0.0000033400000000, 0.0000342000000000, -0.0001274700000000 ] - [ -0.0001296000000000, 0.0000464700000000, -0.0000153200000000 ] - [ -0.0001223700000000, 0.0000973000000000, 0.0000188200000000 ] - [ -0.0001422000000000, -0.0001403500000000, -0.0000102900000000 ] - [ 0.0000724000000000, -0.0000498300000000, 0.0000124400000000 ] - [ -0.0000939300000000, -0.0000825200000000, -0.0000246600000000 ] - [ -0.0000716100000000, 0.0000956100000000, 0.0000252700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1418964400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041030200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007580600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016257100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014097300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016153400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039806000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000869400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009144700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004867800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009069500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005874900000000, 0.0000000000000000 ] - [ 0.0004095000000000, 0.0000129200000000, 0.0000254500000000 ] - [ -0.0004095000000000, 0.0000129200000000, -0.0000254500000000 ] - [ -0.0002532700000000, 0.0007793500000000, 0.0008880100000000 ] - [ 0.0002532700000000, 0.0007793500000000, -0.0008880100000000 ] - [ 0.0003832200000000, 0.0004193400000000, -0.0006911000000000 ] - [ -0.0003832200000000, 0.0004193400000000, 0.0006911000000000 ] - [ 0.0001363200000000, 0.0003296600000000, 0.0001073900000000 ] - [ -0.0001363200000000, 0.0003296600000000, -0.0001073900000000 ] - [ 0.0000000000000000, 0.0036501100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002705000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017331900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009017500000000, 0.0000000000000000 ] - [ -0.0007381500000000, -0.0001685900000000, 0.0002140600000000 ] - [ 0.0007381500000000, -0.0001685900000000, -0.0002140600000000 ] - [ 0.0006584400000000, -0.0001764400000000, -0.0010786200000000 ] - [ -0.0006584400000000, -0.0001764400000000, 0.0010786200000000 ] - [ 0.0006314800000000, -0.0012662000000000, 0.0016455300000000 ] - [ -0.0006314800000000, -0.0012662000000000, -0.0016455300000000 ] - [ 0.0000158200000000, 0.0001766400000000, 0.0004645800000000 ] - [ -0.0000158200000000, 0.0001766400000000, -0.0004645800000000 ] - [ -0.0010177600000000, -0.0001446900000000, -0.0005313900000000 ] - [ 0.0010177600000000, -0.0001446900000000, 0.0005313900000000 ] - [ 0.0002103800000000, 0.0004627600000000, 0.0006558200000000 ] - [ -0.0002103800000000, 0.0004627600000000, -0.0006558200000000 ] - [ 0.0000000000000000, -0.0006231900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000577200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015862000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009106300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0163461500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020412200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005664400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011600800000000, 0.0000000000000000 ] - [ -0.0007761200000000, -0.0007306800000000, 0.0013085600000000 ] - [ 0.0007761200000000, -0.0007306800000000, -0.0013085600000000 ] - [ 0.0004044200000000, -0.0007390900000000, -0.0010384600000000 ] - [ -0.0004044200000000, -0.0007390900000000, 0.0010384600000000 ] - [ -0.0008132100000000, -0.0003346200000000, 0.0004622700000000 ] - [ -0.0002224300000000, -0.0003542000000000, -0.0008339200000000 ] - [ 0.0000631500000000, -0.0004047400000000, 0.0000292400000000 ] - [ -0.0001218900000000, -0.0001307900000000, 0.0002002200000000 ] - [ 0.0003658000000000, 0.0002740500000000, -0.0005204300000000 ] - [ 0.0000132500000000, 0.0002917100000000, 0.0000444400000000 ] - [ -0.0001562300000000, 0.0002834500000000, -0.0001013700000000 ] - [ 0.0001929600000000, -0.0002218600000000, -0.0004429200000000 ] - [ 0.0008132100000000, -0.0003346200000000, -0.0004622700000000 ] - [ 0.0002224300000000, -0.0003542000000000, 0.0008339200000000 ] - [ -0.0000631500000000, -0.0004047400000000, -0.0000292400000000 ] - [ 0.0001218900000000, -0.0001307900000000, -0.0002002200000000 ] - [ -0.0003658000000000, 0.0002740500000000, 0.0005204300000000 ] - [ -0.0000132500000000, 0.0002917100000000, -0.0000444400000000 ] - [ 0.0001562300000000, 0.0002834500000000, 0.0001013700000000 ] - [ -0.0001929600000000, -0.0002218600000000, 0.0004429200000000 ] - [ -0.0002894200000000, 0.0018636300000000, -0.0011557700000000 ] - [ -0.0003699200000000, -0.0007510500000000, 0.0000790700000000 ] - [ 0.0003426900000000, -0.0006124000000000, 0.0002837700000000 ] - [ -0.0002432000000000, 0.0004184100000000, -0.0006338300000000 ] - [ 0.0215102800000000, 0.0296324900000000, 0.0192028000000000 ] - [ 0.0005569200000000, 0.0003533800000000, -0.0008467000000000 ] - [ -0.0000214900000000, -0.0002139000000000, 0.0008786100000000 ] - [ 0.0000851600000000, -0.0005811300000000, -0.0000356600000000 ] - [ 0.0002894200000000, 0.0018636300000000, 0.0011557700000000 ] - [ 0.0003699200000000, -0.0007510500000000, -0.0000790700000000 ] - [ -0.0003426900000000, -0.0006124000000000, -0.0002837700000000 ] - [ 0.0002432000000000, 0.0004184100000000, 0.0006338300000000 ] - [ -0.0215102800000000, 0.0296324900000000, -0.0192028000000000 ] - [ -0.0005569200000000, 0.0003533800000000, 0.0008467000000000 ] - [ 0.0000214900000000, -0.0002139000000000, -0.0008786100000000 ] - [ -0.0000851600000000, -0.0005811300000000, 0.0000356600000000 ] - [ 0.0005188500000000, 0.0000264100000000, 0.0008725600000000 ] - [ -0.0001325600000000, -0.0001508800000000, -0.0014689000000000 ] - [ 0.0003686600000000, -0.0001853800000000, -0.0029059000000000 ] - [ 0.0005361000000000, -0.0000257600000000, 0.0010455100000000 ] - [ -0.0273667700000000, 0.0319691800000000, 0.0266354700000000 ] - [ -0.0003747400000000, -0.0004912100000000, 0.0006693800000000 ] - [ 0.0003839800000000, -0.0002022200000000, -0.0000608400000000 ] - [ -0.0001731100000000, 0.0003583200000000, 0.0005915500000000 ] - [ -0.0005188500000000, 0.0000264100000000, -0.0008725600000000 ] - [ 0.0001325600000000, -0.0001508800000000, 0.0014689000000000 ] - [ -0.0003686600000000, -0.0001853800000000, 0.0029059000000000 ] - [ -0.0005361000000000, -0.0000257600000000, -0.0010455100000000 ] - [ 0.0273667700000000, 0.0319691800000000, -0.0266354700000000 ] - [ 0.0003747400000000, -0.0004912100000000, -0.0006693800000000 ] - [ -0.0003839800000000, -0.0002022200000000, 0.0000608400000000 ] - [ 0.0001731100000000, 0.0003583200000000, -0.0005915500000000 ] - [ 0.0003909200000000, -0.0001863400000000, 0.0002068900000000 ] - [ 0.0005684200000000, 0.0002597500000000, 0.0007091600000000 ] - [ 0.0002488900000000, 0.0001455200000000, 0.0001042400000000 ] - [ -0.0003446100000000, 0.0001284800000000, 0.0002752000000000 ] - [ -0.0001905000000000, 0.0007104200000000, -0.0001335800000000 ] - [ 0.0002283700000000, -0.0004160100000000, -0.0002462400000000 ] - [ -0.0003171000000000, -0.0001307100000000, 0.0002244600000000 ] - [ -0.0002980300000000, 0.0000119600000000, 0.0001056400000000 ] - [ -0.0003909200000000, -0.0001863400000000, -0.0002068900000000 ] - [ -0.0005684200000000, 0.0002597500000000, -0.0007091600000000 ] - [ -0.0002488900000000, 0.0001455200000000, -0.0001042400000000 ] - [ 0.0003446100000000, 0.0001284800000000, -0.0002752000000000 ] - [ 0.0001905000000000, 0.0007104200000000, 0.0001335800000000 ] - [ -0.0002283700000000, -0.0004160100000000, 0.0002462400000000 ] - [ 0.0003171000000000, -0.0001307100000000, -0.0002244600000000 ] - [ 0.0002980300000000, 0.0000119600000000, -0.0001056400000000 ] - [ 0.0001475900000000, -0.0003124600000000, -0.0009991800000000 ] - [ -0.0000608500000000, -0.0002597900000000, 0.0000893100000000 ] - [ 0.0002370500000000, -0.0001302200000000, 0.0001743100000000 ] - [ 0.0001403600000000, 0.0000993400000000, -0.0001706900000000 ] - [ -0.0001916700000000, 0.0007327700000000, -0.0010215400000000 ] - [ 0.0003623700000000, 0.0001817000000000, -0.0001453300000000 ] - [ 0.0000307800000000, 0.0000402400000000, 0.0000768000000000 ] - [ 0.0001329200000000, 0.0001269000000000, -0.0000689500000000 ] - [ 0.0002707700000000, 0.0005319800000000, -0.0004375400000000 ] - [ -0.0002132200000000, 0.0003935700000000, 0.0001471500000000 ] - [ -0.0002277500000000, -0.0000935200000000, -0.0000423200000000 ] - [ -0.0001057200000000, -0.0000239000000000, -0.0001075900000000 ] - [ -0.0004281700000000, -0.0001053200000000, 0.0001848500000000 ] - [ -0.0001456400000000, -0.0001843200000000, -0.0001188900000000 ] - [ -0.0000051200000000, -0.0004576700000000, -0.0003383100000000 ] - [ -0.0002330000000000, -0.0001332300000000, 0.0000328600000000 ] - [ -0.0002707700000000, 0.0005319800000000, 0.0004375400000000 ] - [ 0.0002132200000000, 0.0003935700000000, -0.0001471500000000 ] - [ 0.0002277500000000, -0.0000935200000000, 0.0000423200000000 ] - [ 0.0001057200000000, -0.0000239000000000, 0.0001075900000000 ] - [ 0.0004281700000000, -0.0001053200000000, -0.0001848500000000 ] - [ 0.0001456400000000, -0.0001843200000000, 0.0001188900000000 ] - [ 0.0000051200000000, -0.0004576700000000, 0.0003383100000000 ] - [ 0.0002330000000000, -0.0001332300000000, -0.0000328600000000 ] - [ -0.0001475900000000, -0.0003124600000000, 0.0009991800000000 ] - [ 0.0000608500000000, -0.0002597900000000, -0.0000893100000000 ] - [ -0.0002370500000000, -0.0001302200000000, -0.0001743100000000 ] - [ -0.0001403600000000, 0.0000993400000000, 0.0001706900000000 ] - [ 0.0001916700000000, 0.0007327700000000, 0.0010215400000000 ] - [ -0.0003623700000000, 0.0001817000000000, 0.0001453300000000 ] - [ -0.0000307800000000, 0.0000402400000000, -0.0000768000000000 ] - [ -0.0001329200000000, 0.0001269000000000, 0.0000689500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000000000000000, 0.1414161700000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0038669600000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0003483000000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0019352100000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0018235900000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0012744000000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0036062800000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0001367300000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0012778900000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0007673900000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0011852300000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0002890700000000, -0.0000000000000000 ] - [ -0.0002924900000000, -0.0000253500000000, -0.0001359100000000 ] - [ 0.0002924900000000, -0.0000253500000000, 0.0001359100000000 ] - [ 0.0002627800000000, -0.0008281200000000, -0.0008945000000000 ] - [ -0.0002627800000000, -0.0008281200000000, 0.0008945000000000 ] - [ -0.0003706500000000, -0.0003917800000000, 0.0006893100000000 ] - [ 0.0003706500000000, -0.0003917800000000, -0.0006893100000000 ] - [ -0.0001257300000000, -0.0003431500000000, -0.0000900300000000 ] - [ 0.0001257300000000, -0.0003431500000000, 0.0000900300000000 ] - [ -0.0000000000000000, -0.0039359900000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0004987700000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0021351500000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0006048200000000, -0.0000000000000000 ] - [ 0.0007659100000000, -0.0000991300000000, -0.0002066700000000 ] - [ -0.0007659100000000, -0.0000991300000000, 0.0002066700000000 ] - [ -0.0006616500000000, -0.0000972500000000, 0.0010926800000000 ] - [ 0.0006616500000000, -0.0000972500000000, -0.0010926800000000 ] - [ -0.0006578500000000, 0.0015317800000000, -0.0016821500000000 ] - [ 0.0006578500000000, 0.0015317800000000, 0.0016821500000000 ] - [ 0.0000193100000000, 0.0001048100000000, -0.0004783200000000 ] - [ -0.0000193100000000, 0.0001048100000000, 0.0004783200000000 ] - [ 0.0009940900000000, 0.0004125800000000, 0.0006957200000000 ] - [ -0.0009940900000000, 0.0004125800000000, -0.0006957200000000 ] - [ -0.0002172600000000, -0.0001437800000000, -0.0006217100000000 ] - [ 0.0002172600000000, -0.0001437800000000, 0.0006217100000000 ] - [ -0.0000000000000000, 0.0006584600000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0000025300000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0015984900000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0009246700000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0169308400000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0020471600000000, -0.0000000000000000 ] - [ -0.0000000000000000, -0.0005360100000000, -0.0000000000000000 ] - [ -0.0000000000000000, 0.0011537800000000, -0.0000000000000000 ] - [ 0.0007713000000000, 0.0004766000000000, -0.0013319700000000 ] - [ -0.0007713000000000, 0.0004766000000000, 0.0013319700000000 ] - [ -0.0003957100000000, 0.0004718400000000, 0.0010105900000000 ] - [ 0.0003957100000000, 0.0004718400000000, -0.0010105900000000 ] - [ 0.0007127000000000, -0.0000452100000000, -0.0010151500000000 ] - [ 0.0000919100000000, 0.0000021500000000, 0.0002703700000000 ] - [ -0.0001496800000000, 0.0000252100000000, -0.0006061900000000 ] - [ 0.0000268300000000, -0.0002269500000000, -0.0007385600000000 ] - [ -0.0004839000000000, 0.0001282100000000, 0.0011181100000000 ] - [ -0.0001455600000000, 0.0000977400000000, 0.0005670900000000 ] - [ 0.0000627700000000, 0.0000962500000000, 0.0006952800000000 ] - [ -0.0003021000000000, 0.0005846900000000, 0.0010272600000000 ] - [ -0.0007127000000000, -0.0000452100000000, 0.0010151500000000 ] - [ -0.0000919100000000, 0.0000021500000000, -0.0002703700000000 ] - [ 0.0001496800000000, 0.0000252100000000, 0.0006061900000000 ] - [ -0.0000268300000000, -0.0002269500000000, 0.0007385600000000 ] - [ 0.0004839000000000, 0.0001282100000000, -0.0011181100000000 ] - [ 0.0001455600000000, 0.0000977400000000, -0.0005670900000000 ] - [ -0.0000627700000000, 0.0000962500000000, -0.0006952800000000 ] - [ 0.0003021000000000, 0.0005846900000000, -0.0010272600000000 ] - [ 0.0004140500000000, -0.0015047500000000, 0.0017248400000000 ] - [ 0.0004848100000000, 0.0010928700000000, 0.0005011100000000 ] - [ -0.0002439400000000, 0.0009790400000000, 0.0002770900000000 ] - [ 0.0003637200000000, -0.0000589800000000, 0.0011979300000000 ] - [ -0.0205179500000000, -0.0292432300000000, -0.0189114900000000 ] - [ -0.0004593200000000, -0.0007224700000000, 0.0002727300000000 ] - [ 0.0001238400000000, -0.0001733000000000, -0.0014985400000000 ] - [ 0.0000087700000000, 0.0001900100000000, -0.0005835900000000 ] - [ -0.0004140500000000, -0.0015047500000000, -0.0017248400000000 ] - [ -0.0004848100000000, 0.0010928700000000, -0.0005011100000000 ] - [ 0.0002439400000000, 0.0009790400000000, -0.0002770900000000 ] - [ -0.0003637200000000, -0.0000589800000000, -0.0011979300000000 ] - [ 0.0205179500000000, -0.0292432300000000, 0.0189114900000000 ] - [ 0.0004593200000000, -0.0007224700000000, -0.0002727300000000 ] - [ -0.0001238400000000, -0.0001733000000000, 0.0014985400000000 ] - [ -0.0000087700000000, 0.0001900100000000, 0.0005835900000000 ] - [ -0.0007088700000000, -0.0003207300000000, -0.0015079800000000 ] - [ 0.0000173400000000, -0.0001884700000000, 0.0009151000000000 ] - [ -0.0004614800000000, -0.0001092400000000, 0.0025593600000000 ] - [ -0.0006937000000000, -0.0003010200000000, -0.0016390000000000 ] - [ 0.0282743200000000, -0.0321322900000000, -0.0270637800000000 ] - [ 0.0002991800000000, 0.0008148200000000, -0.0000782400000000 ] - [ -0.0005521900000000, 0.0005231700000000, 0.0007017600000000 ] - [ 0.0000506500000000, 0.0000383100000000, 0.0000164100000000 ] - [ 0.0007088700000000, -0.0003207300000000, 0.0015079800000000 ] - [ -0.0000173400000000, -0.0001884700000000, -0.0009151000000000 ] - [ 0.0004614800000000, -0.0001092400000000, -0.0025593600000000 ] - [ 0.0006937000000000, -0.0003010200000000, 0.0016390000000000 ] - [ -0.0282743200000000, -0.0321322900000000, 0.0270637800000000 ] - [ -0.0002991800000000, 0.0008148200000000, 0.0000782400000000 ] - [ 0.0005521900000000, 0.0005231700000000, -0.0007017600000000 ] - [ -0.0000506500000000, 0.0000383100000000, -0.0000164100000000 ] - [ -0.0002516900000000, 0.0004855400000000, 0.0003895600000000 ] - [ -0.0004469600000000, 0.0000722600000000, -0.0001323700000000 ] - [ -0.0001013200000000, 0.0001733300000000, 0.0004813800000000 ] - [ 0.0004381100000000, 0.0002219200000000, 0.0002764200000000 ] - [ 0.0003530500000000, -0.0010382800000000, -0.0005107600000000 ] - [ -0.0001137400000000, 0.0000530500000000, -0.0003690300000000 ] - [ 0.0004877800000000, -0.0001955600000000, -0.0008294800000000 ] - [ 0.0004241400000000, -0.0003558300000000, -0.0006978100000000 ] - [ 0.0002516900000000, 0.0004855400000000, -0.0003895600000000 ] - [ 0.0004469600000000, 0.0000722600000000, 0.0001323700000000 ] - [ 0.0001013200000000, 0.0001733300000000, -0.0004813800000000 ] - [ -0.0004381100000000, 0.0002219200000000, -0.0002764200000000 ] - [ -0.0003530500000000, -0.0010382800000000, 0.0005107600000000 ] - [ 0.0001137400000000, 0.0000530500000000, 0.0003690300000000 ] - [ -0.0004877800000000, -0.0001955600000000, 0.0008294800000000 ] - [ -0.0004241400000000, -0.0003558300000000, 0.0006978100000000 ] - [ 0.0000831300000000, 0.0003663300000000, 0.0010482200000000 ] - [ 0.0002556600000000, 0.0003445400000000, -0.0000538500000000 ] - [ -0.0000006000000000, 0.0001982000000000, -0.0001632400000000 ] - [ 0.0000555100000000, -0.0000130900000000, 0.0001925700000000 ] - [ 0.0003943900000000, -0.0008259700000000, 0.0010513100000000 ] - [ -0.0001757700000000, -0.0002712200000000, 0.0001695600000000 ] - [ 0.0001606800000000, -0.0001459300000000, -0.0000628700000000 ] - [ 0.0000639900000000, -0.0002218700000000, 0.0000879700000000 ] - [ -0.0004487600000000, -0.0004425600000000, 0.0004398200000000 ] - [ 0.0000070300000000, -0.0003096800000000, -0.0001376500000000 ] - [ 0.0000346300000000, 0.0001962500000000, 0.0000661100000000 ] - [ -0.0000900900000000, 0.0001064400000000, 0.0001136300000000 ] - [ 0.0001982900000000, 0.0000566000000000, -0.0001856500000000 ] - [ -0.0000471900000000, 0.0001031800000000, 0.0001246100000000 ] - [ -0.0002225100000000, 0.0004080600000000, 0.0003642200000000 ] - [ 0.0000399500000000, 0.0000560300000000, -0.0000227700000000 ] - [ 0.0004487600000000, -0.0004425600000000, -0.0004398200000000 ] - [ -0.0000070300000000, -0.0003096800000000, 0.0001376500000000 ] - [ -0.0000346300000000, 0.0001962500000000, -0.0000661100000000 ] - [ 0.0000900900000000, 0.0001064400000000, -0.0001136300000000 ] - [ -0.0001982900000000, 0.0000566000000000, 0.0001856500000000 ] - [ 0.0000471900000000, 0.0001031800000000, -0.0001246100000000 ] - [ 0.0002225100000000, 0.0004080600000000, -0.0003642200000000 ] - [ -0.0000399500000000, 0.0000560300000000, 0.0000227700000000 ] - [ -0.0000831300000000, 0.0003663300000000, -0.0010482200000000 ] - [ -0.0002556600000000, 0.0003445400000000, 0.0000538500000000 ] - [ 0.0000006000000000, 0.0001982000000000, 0.0001632400000000 ] - [ -0.0000555100000000, -0.0000130900000000, -0.0001925700000000 ] - [ -0.0003943900000000, -0.0008259700000000, -0.0010513100000000 ] - [ 0.0001757700000000, -0.0002712200000000, -0.0001695600000000 ] - [ -0.0001606800000000, -0.0001459300000000, 0.0000628700000000 ] - [ -0.0000639900000000, -0.0002218700000000, -0.0000879700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0046194200000000, -0.0000577500000000, -0.1394282800000000 ] - [ -0.0039888300000000, -0.0003228900000000, -0.0030033700000000 ] - [ 0.0000561100000000, -0.0002980000000000, -0.0002529400000000 ] - [ -0.0001466600000000, -0.0002576800000000, 0.0004675300000000 ] - [ -0.0003634400000000, 0.0003083600000000, 0.0008538300000000 ] - [ 0.0002481500000000, 0.0002353300000000, -0.0008713400000000 ] - [ 0.0000175500000000, 0.0001962700000000, -0.0008531100000000 ] - [ -0.0002375900000000, 0.0003468300000000, 0.0007914400000000 ] - [ -0.0003974800000000, 0.0002187800000000, 0.0008263100000000 ] - [ 0.0007293400000000, 0.0003838300000000, -0.0010064000000000 ] - [ 0.0005493900000000, 0.0002768300000000, -0.0001489900000000 ] - [ -0.0003375600000000, 0.0003349400000000, 0.0001695400000000 ] - [ 0.0012644500000000, 0.0009963500000000, -0.0042678700000000 ] - [ 0.0012727100000000, -0.0010242600000000, -0.0042350800000000 ] - [ -0.0001287900000000, -0.0010866200000000, -0.0001902600000000 ] - [ -0.0001077600000000, 0.0010012100000000, -0.0002002000000000 ] - [ 0.0000108700000000, 0.0000315300000000, -0.0000708100000000 ] - [ 0.0000392100000000, -0.0000265100000000, -0.0000765800000000 ] - [ -0.0001349800000000, 0.0009191300000000, 0.0000338900000000 ] - [ -0.0001194700000000, -0.0008903700000000, 0.0000394900000000 ] - [ -0.0007144100000000, -0.0002442300000000, -0.0015249000000000 ] - [ 0.0008444300000000, -0.0002959200000000, 0.0014075700000000 ] - [ 0.0001490500000000, -0.0002434100000000, -0.0001056200000000 ] - [ -0.0000260100000000, -0.0003912700000000, 0.0002985300000000 ] - [ -0.0002300200000000, 0.0010342600000000, -0.0000005600000000 ] - [ -0.0001890300000000, -0.0010964200000000, 0.0000825300000000 ] - [ -0.0000242500000000, -0.0003002400000000, 0.0000204900000000 ] - [ -0.0000508700000000, 0.0001582300000000, 0.0000643100000000 ] - [ -0.0001529600000000, -0.0016273500000000, -0.0000005500000000 ] - [ -0.0001735700000000, 0.0016623900000000, -0.0000421500000000 ] - [ -0.0000398900000000, -0.0003797100000000, -0.0000259200000000 ] - [ 0.0000032600000000, 0.0005271500000000, -0.0000937500000000 ] - [ 0.0062000700000000, -0.0006023700000000, 0.0039482600000000 ] - [ 0.0063963300000000, 0.0006500400000000, 0.0038269400000000 ] - [ 0.0002202200000000, 0.0007576500000000, -0.0000436400000000 ] - [ 0.0002219800000000, -0.0005499600000000, -0.0000458500000000 ] - [ -0.0002731000000000, -0.0000377500000000, 0.0001805500000000 ] - [ 0.0002855400000000, -0.0000303900000000, -0.0000452100000000 ] - [ -0.0000204400000000, 0.0000322700000000, -0.0000409600000000 ] - [ 0.0001440000000000, 0.0000125200000000, -0.0003458300000000 ] - [ 0.0039764500000000, 0.0000599000000000, 0.0059549800000000 ] - [ 0.0005816900000000, 0.0000031400000000, 0.0018308700000000 ] - [ 0.0000108000000000, -0.0000343500000000, -0.0000995000000000 ] - [ -0.0001209500000000, -0.0000082800000000, 0.0004166400000000 ] - [ 0.0000066400000000, -0.0010351300000000, 0.0009819600000000 ] - [ -0.0000094200000000, 0.0009854400000000, 0.0010222700000000 ] - [ 0.0002272300000000, 0.0012182600000000, 0.0010506600000000 ] - [ 0.0002270700000000, -0.0013972800000000, 0.0009540000000000 ] - [ 0.0000573100000000, 0.0000231300000000, -0.0002315000000000 ] - [ 0.0000058600000000, -0.0004093900000000, 0.0001257900000000 ] - [ -0.0001099800000000, -0.0002756400000000, -0.0002552400000000 ] - [ 0.0000937700000000, -0.0000519500000000, -0.0005034800000000 ] - [ -0.0001926000000000, 0.0003115500000000, 0.0006083800000000 ] - [ 0.0001441300000000, 0.0001238100000000, -0.0002960700000000 ] - [ 0.0002791200000000, -0.0001382500000000, 0.0002582000000000 ] - [ -0.0002572500000000, 0.0005392500000000, 0.0004398200000000 ] - [ 0.0000891300000000, -0.0003940800000000, 0.0003963700000000 ] - [ 0.0000343000000000, 0.0000384800000000, 0.0007038800000000 ] - [ -0.0000773000000000, -0.0001224900000000, 0.0003365700000000 ] - [ 0.0001128900000000, -0.0003680000000000, 0.0000920100000000 ] - [ -0.0001539100000000, 0.0000671900000000, 0.0000073700000000 ] - [ 0.0001780000000000, 0.0002609500000000, -0.0008829300000000 ] - [ 0.0003068000000000, 0.0005684200000000, -0.0003994200000000 ] - [ -0.0002423300000000, -0.0000938200000000, -0.0001915700000000 ] - [ 0.0008267700000000, -0.0006124000000000, -0.0007108800000000 ] - [ -0.0002686600000000, 0.0003069500000000, 0.0018232100000000 ] - [ 0.0003746000000000, -0.0000584500000000, 0.0005167600000000 ] - [ -0.0001900700000000, 0.0001223800000000, -0.0004142100000000 ] - [ 0.0225914800000000, 0.0218208700000000, 0.0308578100000000 ] - [ -0.0001535600000000, -0.0014788400000000, 0.0007307100000000 ] - [ 0.0001495200000000, -0.0005520500000000, -0.0002488600000000 ] - [ -0.0001268800000000, 0.0000254700000000, -0.0002373400000000 ] - [ 0.0007986600000000, 0.0009816100000000, -0.0012954100000000 ] - [ -0.0002531400000000, 0.0001313500000000, 0.0012126500000000 ] - [ 0.0002686300000000, 0.0003671000000000, -0.0000835000000000 ] - [ -0.0002830200000000, 0.0001868300000000, -0.0009878200000000 ] - [ 0.0218944900000000, -0.0214484700000000, 0.0311083800000000 ] - [ -0.0001915300000000, 0.0010918000000000, 0.0012708700000000 ] - [ 0.0000375600000000, 0.0001792000000000, 0.0004180800000000 ] - [ -0.0002185400000000, -0.0004132400000000, 0.0004506200000000 ] - [ -0.0000915100000000, -0.0003323800000000, -0.0003099700000000 ] - [ -0.0003279200000000, 0.0002174300000000, -0.0003803800000000 ] - [ -0.0008087400000000, 0.0003414000000000, -0.0014111100000000 ] - [ -0.0001209100000000, -0.0008186000000000, -0.0003950700000000 ] - [ -0.0280900200000000, 0.0287619400000000, 0.0336218200000000 ] - [ 0.0009979200000000, -0.0007325000000000, -0.0005401300000000 ] - [ -0.0000352700000000, 0.0004431600000000, 0.0003970400000000 ] - [ -0.0000297800000000, 0.0000823400000000, -0.0000085100000000 ] - [ 0.0001176400000000, 0.0000143100000000, 0.0002744600000000 ] - [ -0.0001122200000000, -0.0005641500000000, 0.0001168800000000 ] - [ -0.0006639300000000, -0.0006417200000000, -0.0009365900000000 ] - [ 0.0001232300000000, 0.0006540400000000, 0.0001782700000000 ] - [ -0.0288261400000000, -0.0292982600000000, 0.0335770800000000 ] - [ 0.0013033700000000, 0.0009292400000000, -0.0010940400000000 ] - [ 0.0001209600000000, -0.0001069100000000, -0.0002134600000000 ] - [ 0.0001001500000000, 0.0002517400000000, -0.0005471300000000 ] - [ 0.0003886200000000, 0.0000750700000000, -0.0002274800000000 ] - [ -0.0002440500000000, 0.0003264900000000, 0.0003064700000000 ] - [ -0.0000214900000000, 0.0002759900000000, 0.0002878700000000 ] - [ 0.0001944100000000, -0.0000292900000000, 0.0003852100000000 ] - [ 0.0002591400000000, -0.0003269600000000, -0.0003292000000000 ] - [ -0.0000891300000000, -0.0000364000000000, 0.0000305900000000 ] - [ -0.0000057200000000, -0.0000021200000000, 0.0000484300000000 ] - [ 0.0001575900000000, -0.0001691400000000, -0.0005878100000000 ] - [ 0.0001714100000000, 0.0002744400000000, -0.0007679800000000 ] - [ -0.0004727800000000, -0.0000718600000000, -0.0002149800000000 ] - [ -0.0001507300000000, 0.0000855300000000, -0.0002386800000000 ] - [ -0.0000585600000000, 0.0003070100000000, -0.0002580600000000 ] - [ 0.0000999200000000, -0.0000152800000000, 0.0001653400000000 ] - [ -0.0003413600000000, -0.0001907100000000, 0.0006407500000000 ] - [ -0.0001777100000000, -0.0003979500000000, 0.0006648600000000 ] - [ -0.0000468600000000, -0.0001623800000000, 0.0000150500000000 ] - [ -0.0002756200000000, -0.0000719800000000, 0.0008453200000000 ] - [ 0.0004303300000000, 0.0002368400000000, 0.0001333400000000 ] - [ 0.0001248200000000, 0.0000633000000000, 0.0000571500000000 ] - [ 0.0001316200000000, -0.0000006400000000, -0.0000960300000000 ] - [ 0.0000782600000000, 0.0000500700000000, 0.0009569800000000 ] - [ 0.0001561200000000, -0.0003647500000000, 0.0000636800000000 ] - [ 0.0000789100000000, -0.0000850700000000, 0.0000095800000000 ] - [ 0.0000996400000000, -0.0000079500000000, 0.0000299200000000 ] - [ 0.0000447100000000, 0.0002091200000000, 0.0001245600000000 ] - [ -0.0001215700000000, -0.0001898300000000, 0.0000874800000000 ] - [ -0.0002005600000000, 0.0000495000000000, 0.0000073600000000 ] - [ -0.0000041900000000, 0.0000719800000000, 0.0000074400000000 ] - [ -0.0001560800000000, -0.0000833800000000, 0.0000193900000000 ] - [ -0.0001144700000000, -0.0000471900000000, 0.0000014500000000 ] - [ -0.0002922500000000, 0.0000586500000000, 0.0001850100000000 ] - [ 0.0000566600000000, 0.0001090400000000, -0.0000800000000000 ] - [ 0.0002244400000000, -0.0000613500000000, 0.0001219300000000 ] - [ 0.0000434600000000, 0.0003438800000000, 0.0000869300000000 ] - [ -0.0000087300000000, 0.0000735000000000, 0.0000253800000000 ] - [ 0.0001892200000000, 0.0000618500000000, 0.0000205400000000 ] - [ 0.0000588900000000, 0.0000427100000000, -0.0000209600000000 ] - [ 0.0001487400000000, 0.0000447000000000, 0.0000524100000000 ] - [ -0.0000933000000000, -0.0001084500000000, 0.0002343700000000 ] - [ 0.0003185200000000, -0.0000967100000000, -0.0000683300000000 ] - [ -0.0004694200000000, 0.0001028400000000, 0.0009111500000000 ] - [ 0.0001589500000000, -0.0002516700000000, 0.0001136100000000 ] - [ -0.0000794900000000, -0.0000131100000000, 0.0000253400000000 ] - [ -0.0001184300000000, 0.0000130700000000, -0.0000296200000000 ] - [ -0.0001116800000000, -0.0001714600000000, 0.0010153600000000 ] - [ -0.0000002400000000, 0.0002252600000000, 0.0000807200000000 ] - [ -0.0001239900000000, -0.0000487700000000, -0.0000082600000000 ] - [ -0.0000926900000000, -0.0001392700000000, 0.0000151000000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010704700000000, 0.0002236600000000, 0.0013126000000000 ] - [ -0.0009726900000000, -0.0004949800000000, 0.0012408200000000 ] - [ -0.0001148600000000, -0.0004333800000000, -0.0001194500000000 ] - [ -0.0001144000000000, 0.0000687700000000, -0.0001021400000000 ] - [ -0.0010704700000000, -0.0002236600000000, -0.0013126000000000 ] - [ -0.0009726900000000, 0.0004949800000000, -0.0012408200000000 ] - [ -0.0001148600000000, 0.0004333800000000, 0.0001194500000000 ] - [ -0.0001144000000000, -0.0000687700000000, 0.0001021400000000 ] - [ -0.0001455000000000, -0.0002317900000000, 0.0000382900000000 ] - [ -0.0001258000000000, 0.0005323000000000, -0.0000020200000000 ] - [ -0.0001524600000000, 0.0000408600000000, -0.0001441400000000 ] - [ -0.0001583400000000, 0.0003013800000000, -0.0001252400000000 ] - [ -0.1219737000000000, -0.0000000000000000, -0.0000000000000000 ] - [ -0.0016747700000000, -0.0000000000000000, -0.0000000000000000 ] - [ -0.0000056600000000, -0.0000000000000000, -0.0000000000000000 ] - [ 0.0004323400000000, -0.0000000000000000, -0.0000000000000000 ] - [ 0.0003475900000000, -0.0000000000000000, -0.0000000000000000 ] - [ -0.0001019600000000, -0.0000000000000000, -0.0000000000000000 ] - [ -0.0000836900000000, -0.0000000000000000, -0.0000000000000000 ] - [ -0.0000076100000000, -0.0000000000000000, -0.0000000000000000 ] - [ -0.0001455000000000, 0.0002317900000000, -0.0000382900000000 ] - [ -0.0001258000000000, -0.0005323000000000, 0.0000020200000000 ] - [ -0.0001524600000000, -0.0000408600000000, 0.0001441400000000 ] - [ -0.0001583400000000, -0.0003013800000000, 0.0001252400000000 ] - [ -0.0000166000000000, -0.0001599500000000, -0.0002646500000000 ] - [ 0.0002876200000000, -0.0001858500000000, 0.0002917000000000 ] - [ 0.0003713000000000, -0.0001856200000000, -0.0000149200000000 ] - [ 0.0001238500000000, -0.0001729600000000, 0.0001520000000000 ] - [ -0.0000166000000000, 0.0001599500000000, 0.0002646500000000 ] - [ 0.0002876200000000, 0.0001858500000000, -0.0002917000000000 ] - [ 0.0003713000000000, 0.0001856200000000, 0.0000149200000000 ] - [ 0.0001238500000000, 0.0001729600000000, -0.0001520000000000 ] - [ 0.0010455500000000, 0.0001126200000000, 0.0039638800000000 ] - [ 0.0020904600000000, 0.0002195100000000, 0.0005793000000000 ] - [ 0.0002685500000000, 0.0001938300000000, 0.0000001200000000 ] - [ 0.0000112300000000, 0.0001535300000000, -0.0001259600000000 ] - [ -0.0000425800000000, -0.0000442200000000, 0.0001732700000000 ] - [ -0.0000425500000000, 0.0000414800000000, 0.0001544300000000 ] - [ -0.0000425800000000, 0.0000442200000000, -0.0001732700000000 ] - [ -0.0000425500000000, -0.0000414800000000, -0.0001544300000000 ] - [ 0.0003577600000000, -0.0004318900000000, -0.0000809700000000 ] - [ 0.0003641300000000, 0.0004808900000000, -0.0001240900000000 ] - [ 0.0003577600000000, 0.0004318900000000, 0.0000809700000000 ] - [ 0.0003641300000000, -0.0004808900000000, 0.0001240900000000 ] - [ 0.0010455500000000, -0.0001126200000000, -0.0039638800000000 ] - [ 0.0020904600000000, -0.0002195100000000, -0.0005793000000000 ] - [ 0.0002685500000000, -0.0001938300000000, -0.0000001200000000 ] - [ 0.0000112300000000, -0.0001535300000000, 0.0001259600000000 ] - [ -0.0000862400000000, -0.0002944400000000, 0.0001853600000000 ] - [ -0.0001423100000000, -0.0001440000000000, -0.0005048700000000 ] - [ -0.0001066200000000, -0.0001466800000000, -0.0006174500000000 ] - [ -0.0001136000000000, -0.0000593400000000, -0.0004183800000000 ] - [ -0.0000862400000000, 0.0002944400000000, -0.0001853600000000 ] - [ -0.0001423100000000, 0.0001440000000000, 0.0005048700000000 ] - [ -0.0001066200000000, 0.0001466800000000, 0.0006174500000000 ] - [ -0.0001136000000000, 0.0000593400000000, 0.0004183800000000 ] - [ -0.0000049900000000, -0.0002131900000000, 0.0000682200000000 ] - [ 0.0000521000000000, -0.0000665400000000, 0.0007890600000000 ] - [ -0.0000005500000000, -0.0002931200000000, 0.0001610400000000 ] - [ 0.0000176400000000, -0.0002118100000000, -0.0000128700000000 ] - [ -0.0000049900000000, 0.0002131900000000, -0.0000682200000000 ] - [ 0.0000521000000000, 0.0000665400000000, -0.0007890600000000 ] - [ -0.0000005500000000, 0.0002931200000000, -0.0001610400000000 ] - [ 0.0000176400000000, 0.0002118100000000, 0.0000128700000000 ] - [ 0.0013930000000000, 0.0006277000000000, -0.0004543000000000 ] - [ 0.0291815500000000, -0.0223470700000000, 0.0251681000000000 ] - [ -0.0000405200000000, 0.0002422500000000, -0.0000152100000000 ] - [ 0.0000268300000000, 0.0003757100000000, -0.0000012300000000 ] - [ 0.0013930000000000, -0.0006277000000000, 0.0004543000000000 ] - [ 0.0291815500000000, 0.0223470700000000, -0.0251681000000000 ] - [ -0.0000405200000000, -0.0002422500000000, 0.0000152100000000 ] - [ 0.0000268300000000, -0.0003757100000000, 0.0000012300000000 ] - [ 0.0295518200000000, 0.0235535700000000, 0.0253844700000000 ] - [ 0.0012503900000000, -0.0002968500000000, -0.0010084000000000 ] - [ -0.0000759100000000, -0.0000163200000000, -0.0005732800000000 ] - [ -0.0001615500000000, 0.0001167900000000, -0.0006134700000000 ] - [ 0.0295518200000000, -0.0235535700000000, -0.0253844700000000 ] - [ 0.0012503900000000, 0.0002968500000000, 0.0010084000000000 ] - [ -0.0000759100000000, 0.0000163200000000, 0.0005732800000000 ] - [ -0.0001615500000000, -0.0001167900000000, 0.0006134700000000 ] - [ -0.0006206300000000, 0.0000326500000000, 0.0000452400000000 ] - [ -0.0004193800000000, -0.0002716600000000, 0.0008576200000000 ] - [ -0.0000755100000000, -0.0001138900000000, -0.0001024200000000 ] - [ -0.0000282400000000, -0.0003124400000000, -0.0002898200000000 ] - [ -0.0006206300000000, -0.0000326500000000, -0.0000452400000000 ] - [ -0.0004193800000000, 0.0002716600000000, -0.0008576200000000 ] - [ -0.0000755100000000, 0.0001138900000000, 0.0001024200000000 ] - [ -0.0000282400000000, 0.0003124400000000, 0.0002898200000000 ] - [ -0.0002845100000000, -0.0000642200000000, 0.0015204300000000 ] - [ -0.0004872300000000, -0.0003636400000000, 0.0005783800000000 ] - [ 0.0000838700000000, -0.0000406400000000, 0.0002618700000000 ] - [ 0.0000415600000000, -0.0002381600000000, 0.0004711700000000 ] - [ -0.0002845100000000, 0.0000642200000000, -0.0015204300000000 ] - [ -0.0004872300000000, 0.0003636400000000, -0.0005783800000000 ] - [ 0.0000838700000000, 0.0000406400000000, -0.0002618700000000 ] - [ 0.0000415600000000, 0.0002381600000000, -0.0004711700000000 ] - [ 0.0000158200000000, 0.0000750400000000, 0.0002076500000000 ] - [ 0.0001187200000000, 0.0003188600000000, 0.0005066500000000 ] - [ 0.0001604700000000, 0.0000220700000000, 0.0003738500000000 ] - [ 0.0000529500000000, 0.0001348300000000, 0.0004684200000000 ] - [ 0.0000158200000000, -0.0000750400000000, -0.0002076500000000 ] - [ 0.0001187200000000, -0.0003188600000000, -0.0005066500000000 ] - [ 0.0001604700000000, -0.0000220700000000, -0.0003738500000000 ] - [ 0.0000529500000000, -0.0001348300000000, -0.0004684200000000 ] - [ 0.0000070800000000, 0.0000297700000000, -0.0000878900000000 ] - [ -0.0001184200000000, 0.0002627400000000, -0.0003765800000000 ] - [ -0.0000762200000000, 0.0002116600000000, -0.0000994800000000 ] - [ 0.0000478300000000, 0.0003225300000000, -0.0002147800000000 ] - [ 0.0000070800000000, -0.0000297700000000, 0.0000878900000000 ] - [ -0.0001184200000000, -0.0002627400000000, 0.0003765800000000 ] - [ -0.0000762200000000, -0.0002116600000000, 0.0000994800000000 ] - [ 0.0000478300000000, -0.0003225300000000, 0.0002147800000000 ] - [ 0.0002441400000000, -0.0000831200000000, -0.0001176500000000 ] - [ 0.0000753000000000, 0.0000171900000000, -0.0000329400000000 ] - [ 0.0001257000000000, 0.0000567800000000, 0.0000075700000000 ] - [ 0.0001467000000000, 0.0000489700000000, 0.0000019100000000 ] - [ 0.0002011800000000, 0.0000262700000000, -0.0003245900000000 ] - [ 0.0000924300000000, 0.0003393500000000, 0.0004801300000000 ] - [ 0.0001082700000000, -0.0000158300000000, 0.0000175000000000 ] - [ 0.0000369500000000, 0.0000307600000000, -0.0000201000000000 ] - [ -0.0001058300000000, 0.0004309600000000, -0.0004756700000000 ] - [ 0.0000047800000000, 0.0000967900000000, 0.0003279900000000 ] - [ -0.0001704800000000, 0.0001115400000000, 0.0000255400000000 ] - [ -0.0000929500000000, 0.0000676800000000, -0.0000196300000000 ] - [ -0.0001431300000000, -0.0000556000000000, 0.0000351400000000 ] - [ 0.0000380400000000, -0.0001573600000000, 0.0001325600000000 ] - [ -0.0000644000000000, -0.0000277200000000, 0.0000075300000000 ] - [ -0.0000863800000000, -0.0000226600000000, -0.0000035400000000 ] - [ 0.0002011800000000, -0.0000262700000000, 0.0003245900000000 ] - [ 0.0000924300000000, -0.0003393500000000, -0.0004801300000000 ] - [ 0.0001082700000000, 0.0000158300000000, -0.0000175000000000 ] - [ 0.0000369500000000, -0.0000307600000000, 0.0000201000000000 ] - [ 0.0002441400000000, 0.0000831200000000, 0.0001176500000000 ] - [ 0.0000753000000000, -0.0000171900000000, 0.0000329400000000 ] - [ 0.0001257000000000, -0.0000567800000000, -0.0000075700000000 ] - [ 0.0001467000000000, -0.0000489700000000, -0.0000019100000000 ] - [ -0.0001431300000000, 0.0000556000000000, -0.0000351400000000 ] - [ 0.0000380400000000, 0.0001573600000000, -0.0001325600000000 ] - [ -0.0000644000000000, 0.0000277200000000, -0.0000075300000000 ] - [ -0.0000863800000000, 0.0000226600000000, 0.0000035400000000 ] - [ -0.0001058300000000, -0.0004309600000000, 0.0004756700000000 ] - [ 0.0000047800000000, -0.0000967900000000, -0.0003279900000000 ] - [ -0.0001704800000000, -0.0001115400000000, -0.0000255400000000 ] - [ -0.0000929500000000, -0.0000676800000000, 0.0000196300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015815700000000, -0.0001281800000000, 0.0009548700000000 ] - [ 0.0015815700000000, -0.0001281800000000, -0.0009548700000000 ] - [ -0.0001734100000000, 0.0006872700000000, -0.0010300000000000 ] - [ 0.0001734100000000, 0.0006872700000000, 0.0010300000000000 ] - [ 0.0015409700000000, 0.0001394000000000, 0.0010579400000000 ] - [ -0.0015409700000000, 0.0001394000000000, -0.0010579400000000 ] - [ 0.0001462600000000, 0.0008916600000000, -0.0010505500000000 ] - [ -0.0001462600000000, 0.0008916600000000, 0.0010505500000000 ] - [ 0.0000018500000000, 0.0005860700000000, -0.0000497300000000 ] - [ -0.0000018500000000, 0.0005860700000000, 0.0000497300000000 ] - [ 0.0005716700000000, 0.0004937700000000, -0.0008688700000000 ] - [ -0.0005716700000000, 0.0004937700000000, 0.0008688700000000 ] - [ 0.0000000000000000, -0.1581790200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0033519700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006975600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014787600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004552200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002393500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027355500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019620200000000, 0.0000000000000000 ] - [ 0.0000350300000000, 0.0002560900000000, -0.0000191300000000 ] - [ -0.0000350300000000, 0.0002560900000000, 0.0000191300000000 ] - [ -0.0005693400000000, 0.0002073800000000, -0.0009283000000000 ] - [ 0.0005693400000000, 0.0002073800000000, 0.0009283000000000 ] - [ 0.0000000000000000, -0.0008032100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002356100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017130800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007302200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005090000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001317500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014976100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010944100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0164738400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022211300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006971600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009318500000000, 0.0000000000000000 ] - [ -0.0000239700000000, -0.0004746600000000, 0.0004671700000000 ] - [ 0.0000239700000000, -0.0004746600000000, -0.0004671700000000 ] - [ 0.0000448700000000, -0.0004929300000000, 0.0004954600000000 ] - [ -0.0000448700000000, -0.0004929300000000, -0.0004954600000000 ] - [ -0.0004695200000000, -0.0000280900000000, -0.0008668900000000 ] - [ 0.0004695200000000, -0.0000280900000000, 0.0008668900000000 ] - [ 0.0004570100000000, -0.0000510500000000, -0.0008555800000000 ] - [ -0.0004570100000000, -0.0000510500000000, 0.0008555800000000 ] - [ 0.0000000000000000, 0.0168345300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018828100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004255900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013268000000000, 0.0000000000000000 ] - [ -0.0002339600000000, -0.0000726200000000, -0.0006320700000000 ] - [ -0.0002207500000000, -0.0004504700000000, -0.0003537400000000 ] - [ -0.0006354000000000, -0.0006765400000000, -0.0001969000000000 ] - [ 0.0001319100000000, 0.0002664600000000, -0.0006407700000000 ] - [ 0.0001082900000000, 0.0003024700000000, -0.0000936800000000 ] - [ 0.0000637700000000, -0.0001172200000000, 0.0002338900000000 ] - [ 0.0005308000000000, -0.0003033700000000, 0.0003367500000000 ] - [ -0.0003090500000000, 0.0005672400000000, -0.0000307500000000 ] - [ 0.0002207500000000, -0.0004504700000000, 0.0003537400000000 ] - [ 0.0002339600000000, -0.0000726200000000, 0.0006320700000000 ] - [ -0.0001319100000000, 0.0002664600000000, 0.0006407700000000 ] - [ 0.0006354000000000, -0.0006765400000000, 0.0001969000000000 ] - [ -0.0000637700000000, -0.0001172200000000, -0.0002338900000000 ] - [ -0.0001082900000000, 0.0003024700000000, 0.0000936800000000 ] - [ 0.0003090500000000, 0.0005672400000000, 0.0000307500000000 ] - [ -0.0005308000000000, -0.0003033700000000, -0.0003367500000000 ] - [ 0.0001024400000000, 0.0013656600000000, -0.0004033700000000 ] - [ -0.0222583200000000, 0.0283736500000000, -0.0222557400000000 ] - [ -0.0002462400000000, -0.0000962500000000, 0.0006136200000000 ] - [ -0.0002588800000000, 0.0004738600000000, -0.0002902800000000 ] - [ 0.0000704400000000, 0.0010467500000000, -0.0010175100000000 ] - [ 0.0214363800000000, 0.0274706200000000, -0.0217681300000000 ] - [ 0.0003891300000000, -0.0004193600000000, 0.0000446800000000 ] - [ 0.0004251500000000, 0.0001441700000000, -0.0009369600000000 ] - [ 0.0222583200000000, 0.0283736500000000, 0.0222557400000000 ] - [ -0.0001024400000000, 0.0013656600000000, 0.0004033700000000 ] - [ 0.0002588800000000, 0.0004738600000000, 0.0002902800000000 ] - [ 0.0002462400000000, -0.0000962500000000, -0.0006136200000000 ] - [ -0.0214363800000000, 0.0274706200000000, 0.0217681300000000 ] - [ -0.0000704400000000, 0.0010467500000000, 0.0010175100000000 ] - [ -0.0004251500000000, 0.0001441700000000, 0.0009369600000000 ] - [ -0.0003891300000000, -0.0004193600000000, -0.0000446800000000 ] - [ 0.0006374300000000, -0.0007687200000000, -0.0001425700000000 ] - [ -0.0000555100000000, 0.0019595500000000, 0.0020598200000000 ] - [ 0.0002739800000000, 0.0000138000000000, 0.0004529400000000 ] - [ 0.0001599500000000, -0.0007549100000000, -0.0000833400000000 ] - [ -0.0007186000000000, -0.0004123700000000, 0.0004384800000000 ] - [ -0.0000333400000000, 0.0023256800000000, 0.0025591300000000 ] - [ -0.0003812000000000, 0.0003820700000000, 0.0010415900000000 ] - [ -0.0003115700000000, -0.0004115300000000, 0.0005367800000000 ] - [ 0.0000555100000000, 0.0019595500000000, -0.0020598200000000 ] - [ -0.0006374300000000, -0.0007687200000000, 0.0001425700000000 ] - [ -0.0001599500000000, -0.0007549100000000, 0.0000833400000000 ] - [ -0.0002739800000000, 0.0000138000000000, -0.0004529400000000 ] - [ 0.0000333400000000, 0.0023256800000000, -0.0025591300000000 ] - [ 0.0007186000000000, -0.0004123700000000, -0.0004384800000000 ] - [ 0.0003115700000000, -0.0004115300000000, -0.0005367800000000 ] - [ 0.0003812000000000, 0.0003820700000000, -0.0010415900000000 ] - [ 0.0002873900000000, -0.0000290000000000, -0.0000070400000000 ] - [ 0.0001857200000000, 0.0005034000000000, 0.0009897400000000 ] - [ 0.0003154300000000, 0.0004028500000000, 0.0006091800000000 ] - [ 0.0001821900000000, 0.0000762700000000, 0.0003344600000000 ] - [ -0.0002004200000000, -0.0004027900000000, -0.0006472800000000 ] - [ -0.0000701000000000, 0.0001381200000000, 0.0003768900000000 ] - [ -0.0001829200000000, 0.0000594100000000, 0.0000051900000000 ] - [ -0.0000738100000000, -0.0002747500000000, -0.0002781800000000 ] - [ -0.0001857200000000, 0.0005034000000000, -0.0009897400000000 ] - [ -0.0002873900000000, -0.0000290000000000, 0.0000070400000000 ] - [ -0.0001821900000000, 0.0000762700000000, -0.0003344600000000 ] - [ -0.0003154300000000, 0.0004028500000000, -0.0006091800000000 ] - [ 0.0000701000000000, 0.0001381200000000, -0.0003768900000000 ] - [ 0.0002004200000000, -0.0004027900000000, 0.0006472800000000 ] - [ 0.0000738100000000, -0.0002747500000000, 0.0002781800000000 ] - [ 0.0001829200000000, 0.0000594100000000, -0.0000051900000000 ] - [ -0.0003085600000000, -0.0000384700000000, -0.0001463900000000 ] - [ 0.0004614200000000, -0.0000187800000000, 0.0000595300000000 ] - [ 0.0000177300000000, -0.0001552600000000, 0.0001915700000000 ] - [ 0.0000516700000000, -0.0002279800000000, -0.0001352400000000 ] - [ -0.0003491800000000, 0.0000972400000000, 0.0001470400000000 ] - [ 0.0004404100000000, 0.0001748500000000, 0.0000025200000000 ] - [ 0.0001037200000000, 0.0000803100000000, -0.0000219500000000 ] - [ -0.0000175200000000, 0.0002139300000000, 0.0000213200000000 ] - [ 0.0002174300000000, 0.0002294600000000, 0.0000803600000000 ] - [ -0.0005685000000000, 0.0001572300000000, -0.0001377200000000 ] - [ -0.0002046800000000, 0.0003030900000000, 0.0000082600000000 ] - [ -0.0001211000000000, 0.0001345300000000, 0.0000254500000000 ] - [ 0.0002722100000000, -0.0001196500000000, -0.0000726200000000 ] - [ -0.0005226700000000, -0.0001562000000000, 0.0001566200000000 ] - [ -0.0001437900000000, -0.0003087900000000, 0.0001258000000000 ] - [ -0.0001750400000000, -0.0002306800000000, -0.0001953300000000 ] - [ 0.0005685000000000, 0.0001572300000000, 0.0001377200000000 ] - [ -0.0002174300000000, 0.0002294600000000, -0.0000803600000000 ] - [ 0.0001211000000000, 0.0001345300000000, -0.0000254500000000 ] - [ 0.0002046800000000, 0.0003030900000000, -0.0000082600000000 ] - [ 0.0005226700000000, -0.0001562000000000, -0.0001566200000000 ] - [ -0.0002722100000000, -0.0001196500000000, 0.0000726200000000 ] - [ 0.0001750400000000, -0.0002306800000000, 0.0001953300000000 ] - [ 0.0001437900000000, -0.0003087900000000, -0.0001258000000000 ] - [ -0.0004614200000000, -0.0000187800000000, -0.0000595300000000 ] - [ 0.0003085600000000, -0.0000384700000000, 0.0001463900000000 ] - [ -0.0000516700000000, -0.0002279800000000, 0.0001352400000000 ] - [ -0.0000177300000000, -0.0001552600000000, -0.0001915700000000 ] - [ -0.0004404100000000, 0.0001748500000000, -0.0000025200000000 ] - [ 0.0003491800000000, 0.0000972400000000, -0.0001470400000000 ] - [ 0.0000175200000000, 0.0002139300000000, -0.0000213200000000 ] - [ -0.0001037200000000, 0.0000803100000000, 0.0000219500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0022309000000000, -0.0000637100000000, -0.0042425700000000 ] - [ -0.0022369300000000, -0.0001970800000000, -0.0042599000000000 ] - [ -0.0002084900000000, 0.0007522000000000, -0.0001878600000000 ] - [ -0.0001881800000000, -0.0010725000000000, -0.0002025400000000 ] - [ 0.0022369300000000, 0.0001970800000000, -0.0042599000000000 ] - [ 0.0022309000000000, 0.0000637100000000, -0.0042425700000000 ] - [ 0.0001881800000000, 0.0010725000000000, -0.0002025400000000 ] - [ 0.0002084900000000, -0.0007522000000000, -0.0001878600000000 ] - [ -0.0000837500000000, 0.0007893300000000, -0.0000670900000000 ] - [ -0.0000713700000000, -0.0005632400000000, -0.0000807600000000 ] - [ 0.0001719500000000, 0.0000567800000000, 0.0000657100000000 ] - [ 0.0001332100000000, 0.0002167900000000, 0.0000083400000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.1432821300000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0016800000000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0001127200000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0002872600000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0008295000000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0008915700000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0007217600000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0001911300000000 ] - [ 0.0000713700000000, 0.0005632400000000, -0.0000807600000000 ] - [ 0.0000837500000000, -0.0007893300000000, -0.0000670900000000 ] - [ -0.0001332100000000, -0.0002167900000000, 0.0000083400000000 ] - [ -0.0001719500000000, -0.0000567800000000, 0.0000657100000000 ] - [ -0.0003968300000000, -0.0002411600000000, 0.0001790300000000 ] - [ -0.0000374200000000, -0.0002069600000000, -0.0000447800000000 ] - [ -0.0001267600000000, -0.0001895900000000, -0.0000392100000000 ] - [ 0.0001367400000000, -0.0003136200000000, -0.0003477400000000 ] - [ 0.0003968300000000, 0.0002411600000000, 0.0001790300000000 ] - [ 0.0000374200000000, 0.0002069600000000, -0.0000447800000000 ] - [ 0.0001267600000000, 0.0001895900000000, -0.0000392100000000 ] - [ -0.0001367400000000, 0.0003136200000000, -0.0003477400000000 ] - [ 0.0033370900000000, 0.0001010700000000, 0.0059668500000000 ] - [ -0.0019156000000000, 0.0003109000000000, 0.0018193500000000 ] - [ -0.0001148500000000, 0.0002405700000000, -0.0001111100000000 ] - [ 0.0000925000000000, 0.0002350900000000, 0.0004272600000000 ] - [ -0.0001567900000000, -0.0005034900000000, 0.0005148900000000 ] - [ -0.0001700400000000, 0.0004657400000000, 0.0004922200000000 ] - [ 0.0001700400000000, -0.0004657400000000, 0.0004922200000000 ] - [ 0.0001567900000000, 0.0005034900000000, 0.0005148900000000 ] - [ -0.0000933300000000, -0.0008711100000000, -0.0002884800000000 ] - [ -0.0001102400000000, 0.0008553900000000, -0.0003315800000000 ] - [ 0.0001102400000000, -0.0008553900000000, -0.0003315800000000 ] - [ 0.0000933300000000, 0.0008711100000000, -0.0002884800000000 ] - [ -0.0033370900000000, -0.0001010700000000, 0.0059668500000000 ] - [ 0.0019156000000000, -0.0003109000000000, 0.0018193500000000 ] - [ 0.0001148500000000, -0.0002405700000000, -0.0001111100000000 ] - [ -0.0000925000000000, -0.0002350900000000, 0.0004272600000000 ] - [ -0.0001080000000000, -0.0002264400000000, -0.0000447700000000 ] - [ -0.0000026800000000, -0.0002734700000000, 0.0001822500000000 ] - [ -0.0000568900000000, -0.0001527900000000, 0.0000918600000000 ] - [ -0.0000363500000000, -0.0001186400000000, -0.0003742000000000 ] - [ -0.0000595100000000, 0.0000798500000000, 0.0005588700000000 ] - [ -0.0001523000000000, 0.0000732400000000, 0.0007426100000000 ] - [ -0.0000535400000000, 0.0002273200000000, 0.0006701700000000 ] - [ -0.0001467500000000, 0.0002157600000000, 0.0002615800000000 ] - [ 0.0001523000000000, -0.0000732400000000, 0.0007426100000000 ] - [ 0.0000595100000000, -0.0000798500000000, 0.0005588700000000 ] - [ 0.0001467500000000, -0.0002157600000000, 0.0002615800000000 ] - [ 0.0000535400000000, -0.0002273200000000, 0.0006701700000000 ] - [ 0.0000026800000000, 0.0002734700000000, 0.0001822500000000 ] - [ 0.0001080000000000, 0.0002264400000000, -0.0000447700000000 ] - [ 0.0000363500000000, 0.0001186400000000, -0.0003742000000000 ] - [ 0.0000568900000000, 0.0001527900000000, 0.0000918600000000 ] - [ -0.0009068900000000, 0.0011296600000000, 0.0000453900000000 ] - [ 0.0216185600000000, -0.0233704200000000, 0.0345295100000000 ] - [ -0.0000046500000000, 0.0002120500000000, 0.0000976300000000 ] - [ 0.0000368700000000, 0.0000089400000000, 0.0002365800000000 ] - [ 0.0011378300000000, 0.0008781500000000, -0.0005539300000000 ] - [ -0.0222100500000000, -0.0243950400000000, 0.0344019300000000 ] - [ 0.0001591100000000, -0.0001312100000000, -0.0004909800000000 ] - [ 0.0000946200000000, -0.0003579700000000, -0.0003445000000000 ] - [ 0.0222100500000000, 0.0243950400000000, 0.0344019300000000 ] - [ -0.0011378300000000, -0.0008781500000000, -0.0005539300000000 ] - [ -0.0000946200000000, 0.0003579700000000, -0.0003445000000000 ] - [ -0.0001591100000000, 0.0001312100000000, -0.0004909800000000 ] - [ -0.0216185600000000, 0.0233704200000000, 0.0345295100000000 ] - [ 0.0009068900000000, -0.0011296600000000, 0.0000453900000000 ] - [ -0.0000368700000000, -0.0000089400000000, 0.0002365800000000 ] - [ 0.0000046500000000, -0.0002120500000000, 0.0000976300000000 ] - [ -0.0004535600000000, -0.0003521400000000, -0.0004019900000000 ] - [ 0.0005593800000000, 0.0001848900000000, 0.0002221100000000 ] - [ 0.0002224700000000, -0.0000417600000000, 0.0000016900000000 ] - [ -0.0003924800000000, -0.0000988600000000, -0.0006541600000000 ] - [ 0.0003871900000000, -0.0000030600000000, 0.0001497100000000 ] - [ -0.0006221900000000, 0.0005370500000000, 0.0008319000000000 ] - [ -0.0002984200000000, 0.0003628500000000, 0.0006364200000000 ] - [ 0.0003096500000000, 0.0003032400000000, -0.0000433700000000 ] - [ 0.0006221900000000, -0.0005370500000000, 0.0008319000000000 ] - [ -0.0003871900000000, 0.0000030600000000, 0.0001497100000000 ] - [ -0.0003096500000000, -0.0003032400000000, -0.0000433700000000 ] - [ 0.0002984200000000, -0.0003628500000000, 0.0006364200000000 ] - [ -0.0005593800000000, -0.0001848900000000, 0.0002221100000000 ] - [ 0.0004535600000000, 0.0003521400000000, -0.0004019900000000 ] - [ 0.0003924800000000, 0.0000988600000000, -0.0006541600000000 ] - [ -0.0002224700000000, 0.0000417600000000, 0.0000016900000000 ] - [ 0.0001090300000000, 0.0002681800000000, 0.0000557600000000 ] - [ -0.0001952400000000, 0.0002677100000000, -0.0003207900000000 ] - [ -0.0000136100000000, 0.0002382400000000, 0.0000125700000000 ] - [ 0.0000464100000000, 0.0001173600000000, 0.0005372600000000 ] - [ -0.0000068700000000, -0.0001138900000000, -0.0005083100000000 ] - [ 0.0002664500000000, -0.0001328900000000, -0.0009288800000000 ] - [ 0.0000913200000000, -0.0001725500000000, -0.0006089500000000 ] - [ 0.0000208900000000, -0.0003085600000000, -0.0000843900000000 ] - [ -0.0002664500000000, 0.0001328900000000, -0.0009288800000000 ] - [ 0.0000068700000000, 0.0001138900000000, -0.0005083100000000 ] - [ -0.0000208900000000, 0.0003085600000000, -0.0000843900000000 ] - [ -0.0000913200000000, 0.0001725500000000, -0.0006089500000000 ] - [ 0.0001952400000000, -0.0002677100000000, -0.0003207900000000 ] - [ -0.0001090300000000, -0.0002681800000000, 0.0000557600000000 ] - [ -0.0000464100000000, -0.0001173600000000, 0.0005372600000000 ] - [ 0.0000136100000000, -0.0002382400000000, 0.0000125700000000 ] - [ -0.0001956900000000, 0.0000425500000000, 0.0002621400000000 ] - [ -0.0000035200000000, 0.0000449400000000, -0.0000477400000000 ] - [ 0.0000714500000000, -0.0000233400000000, -0.0000812200000000 ] - [ 0.0000906500000000, 0.0000958500000000, 0.0001074400000000 ] - [ 0.0001084500000000, -0.0000103800000000, 0.0001793500000000 ] - [ 0.0003140600000000, -0.0000665300000000, 0.0013405300000000 ] - [ 0.0000490200000000, -0.0000038800000000, -0.0000248100000000 ] - [ 0.0002142900000000, -0.0000531100000000, 0.0000192300000000 ] - [ -0.0003140600000000, 0.0000665300000000, 0.0013405300000000 ] - [ -0.0001084500000000, 0.0000103800000000, 0.0001793500000000 ] - [ -0.0002142900000000, 0.0000531100000000, 0.0000192300000000 ] - [ -0.0000490200000000, 0.0000038800000000, -0.0000248100000000 ] - [ 0.0000035200000000, -0.0000449400000000, -0.0000477400000000 ] - [ 0.0001956900000000, -0.0000425500000000, 0.0002621400000000 ] - [ -0.0000906500000000, -0.0000958500000000, 0.0001074400000000 ] - [ -0.0000714500000000, 0.0000233400000000, -0.0000812200000000 ] - [ 0.0001248400000000, 0.0000242800000000, 0.0001376900000000 ] - [ -0.0001200900000000, 0.0000006900000000, 0.0014114900000000 ] - [ 0.0001916700000000, 0.0000425800000000, 0.0000160300000000 ] - [ -0.0000113200000000, 0.0000211300000000, -0.0000044900000000 ] - [ 0.0003880600000000, -0.0000534800000000, 0.0002617000000000 ] - [ 0.0001911700000000, -0.0000614200000000, -0.0000440600000000 ] - [ 0.0001202600000000, -0.0001427200000000, -0.0000895800000000 ] - [ 0.0000954300000000, -0.0000302800000000, 0.0001066100000000 ] - [ -0.0001911700000000, 0.0000614200000000, -0.0000440600000000 ] - [ -0.0003880600000000, 0.0000534800000000, 0.0002617000000000 ] - [ -0.0000954300000000, 0.0000302800000000, 0.0001066100000000 ] - [ -0.0001202600000000, 0.0001427200000000, -0.0000895800000000 ] - [ 0.0001200900000000, -0.0000006900000000, 0.0014114900000000 ] - [ -0.0001248400000000, -0.0000242800000000, 0.0001376900000000 ] - [ 0.0000113200000000, -0.0000211300000000, -0.0000044900000000 ] - [ -0.0001916700000000, -0.0000425800000000, 0.0000160300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001417900000000, -0.0008777300000000, 0.0000810900000000 ] - [ -0.0000794700000000, -0.0002609700000000, 0.0000263900000000 ] - [ 0.0000524800000000, -0.0000112400000000, -0.0000989100000000 ] - [ 0.0001370900000000, -0.0002003300000000, 0.0001233100000000 ] - [ 0.0001099300000000, -0.0003306200000000, 0.0001670600000000 ] - [ 0.0000940600000000, 0.0000286100000000, -0.0001680700000000 ] - [ 0.0000622200000000, 0.0002415700000000, -0.0002863200000000 ] - [ 0.0001494800000000, -0.0001234800000000, 0.0002287100000000 ] - [ 0.0004306500000000, -0.0002893400000000, 0.0007884400000000 ] - [ -0.0000427800000000, -0.0003258400000000, -0.0002487300000000 ] - [ 0.0003210700000000, 0.0004299300000000, 0.0003027900000000 ] - [ -0.0000160700000000, -0.0001626300000000, -0.0002342700000000 ] - [ -0.0000203800000000, -0.0001797800000000, -0.0000339500000000 ] - [ -0.0000766200000000, -0.0001426700000000, 0.0000823700000000 ] - [ -0.0000479600000000, -0.0005697100000000, 0.0000086900000000 ] - [ -0.0000590700000000, 0.0002285800000000, 0.0000452900000000 ] - [ 0.0291015200000000, -0.0215251500000000, 0.0215741500000000 ] - [ 0.0013326400000000, 0.0000139000000000, -0.0010202400000000 ] - [ -0.0000254200000000, -0.0003890200000000, -0.0000411000000000 ] - [ -0.0001028800000000, -0.0003604400000000, -0.0000708400000000 ] - [ 0.0281144200000000, -0.0214867600000000, -0.0225300300000000 ] - [ 0.0022642400000000, -0.0006406200000000, 0.0001558100000000 ] - [ 0.0001273800000000, -0.0000054300000000, -0.0000781600000000 ] - [ 0.0001495400000000, -0.0001523100000000, 0.0001711000000000 ] - [ -0.0002783900000000, 0.0001870800000000, -0.0007383800000000 ] - [ -0.0003168400000000, 0.0004004300000000, 0.0000145200000000 ] - [ -0.0000829300000000, 0.0003631200000000, 0.0000187500000000 ] - [ -0.0000455100000000, -0.0002722000000000, -0.0002095400000000 ] - [ 0.0311295600000000, 0.0276836300000000, 0.0280138100000000 ] - [ -0.0008457600000000, 0.0005572700000000, -0.0011587900000000 ] - [ -0.0000840200000000, -0.0002025900000000, -0.0000394300000000 ] - [ -0.0001563400000000, 0.0003279500000000, -0.0000518100000000 ] - [ -0.0004565500000000, 0.0005815600000000, 0.0002787900000000 ] - [ 0.0001802100000000, 0.0007206500000000, -0.0003704200000000 ] - [ -0.0000237900000000, 0.0004103900000000, -0.0000987900000000 ] - [ -0.0001412900000000, -0.0002116600000000, 0.0000661100000000 ] - [ -0.0003581800000000, -0.0000113300000000, 0.0005975600000000 ] - [ -0.0005589300000000, 0.0006802800000000, -0.0004279400000000 ] - [ 0.0000263900000000, 0.0002557300000000, -0.0003553000000000 ] - [ -0.0000242400000000, 0.0003537200000000, 0.0002625300000000 ] - [ -0.0000551300000000, 0.0002236200000000, 0.0000617200000000 ] - [ 0.0000643700000000, 0.0001112400000000, -0.0002337300000000 ] - [ 0.0000964800000000, 0.0002705900000000, -0.0000521200000000 ] - [ -0.0000080900000000, 0.0001462700000000, 0.0000127500000000 ] - [ 0.0000713700000000, 0.0001621300000000, 0.0001020900000000 ] - [ -0.0002269400000000, 0.0001579200000000, -0.0000531100000000 ] - [ -0.0002030200000000, 0.0000211200000000, -0.0001758700000000 ] - [ 0.0000395400000000, -0.0003638700000000, 0.0002252600000000 ] - [ -0.1029652100000000, 0.0179612000000000, -0.0292871500000000 ] - [ 0.0000159200000000, -0.0004898300000000, 0.0000837700000000 ] - [ -0.0001999200000000, -0.0001663400000000, -0.0005035600000000 ] - [ 0.0000650100000000, -0.0001562800000000, -0.0002778200000000 ] - [ -0.0018922900000000, -0.0004330900000000, -0.0008334400000000 ] - [ -0.0002632900000000, 0.0002145600000000, 0.0008564700000000 ] - [ -0.0002814500000000, 0.0000844700000000, 0.0004426600000000 ] - [ 0.0000077200000000, 0.0003401300000000, 0.0003546200000000 ] - [ 0.0011723900000000, -0.0003305400000000, 0.0002230200000000 ] - [ 0.0007029400000000, 0.0008978300000000, 0.0048371800000000 ] - [ 0.0000702800000000, -0.0001096900000000, 0.0004980500000000 ] - [ 0.0001951300000000, -0.0000870700000000, 0.0005466800000000 ] - [ 0.0008886600000000, 0.0004943800000000, -0.0010087200000000 ] - [ 0.0020523900000000, -0.0021069300000000, -0.0002473900000000 ] - [ 0.0000101000000000, 0.0002795500000000, -0.0004596600000000 ] - [ 0.0003170700000000, 0.0001090300000000, -0.0004944700000000 ] - [ 0.0003101600000000, 0.0002118200000000, 0.0004708800000000 ] - [ 0.0001782600000000, 0.0001851900000000, 0.0006446300000000 ] - [ 0.0000016100000000, 0.0001765900000000, 0.0004461900000000 ] - [ 0.0002061800000000, 0.0002924800000000, 0.0003474200000000 ] - [ -0.0001498800000000, -0.0001546700000000, -0.0003022300000000 ] - [ 0.0001344500000000, -0.0001649800000000, -0.0004308400000000 ] - [ 0.0001820300000000, -0.0001914300000000, -0.0003716800000000 ] - [ 0.0000095000000000, -0.0000602000000000, -0.0003691800000000 ] - [ -0.0002791300000000, 0.0001450100000000, -0.0006494900000000 ] - [ -0.0001419900000000, 0.0002289100000000, -0.0003551600000000 ] - [ -0.0000337300000000, 0.0003821600000000, -0.0002312600000000 ] - [ -0.0000743300000000, 0.0001544700000000, -0.0004443300000000 ] - [ 0.0002888800000000, -0.0002886200000000, 0.0004822800000000 ] - [ 0.0002385700000000, -0.0001806600000000, 0.0002683400000000 ] - [ -0.0000060200000000, -0.0000977900000000, 0.0003233900000000 ] - [ -0.0000999500000000, -0.0002083400000000, 0.0002067200000000 ] - [ -0.0001929700000000, -0.0002654500000000, -0.0004212100000000 ] - [ -0.0001804600000000, -0.0001993800000000, -0.0004750300000000 ] - [ -0.0001693200000000, -0.0001320400000000, -0.0003840300000000 ] - [ -0.0001730800000000, -0.0002421600000000, -0.0004843200000000 ] - [ 0.0000801300000000, 0.0001041700000000, 0.0002256300000000 ] - [ 0.0000887800000000, 0.0001606700000000, 0.0003900600000000 ] - [ -0.0000589700000000, 0.0001823300000000, 0.0003769200000000 ] - [ -0.0000585500000000, 0.0001488600000000, 0.0003087000000000 ] - [ 0.0001465400000000, -0.0001545200000000, 0.0004357800000000 ] - [ 0.0001380100000000, -0.0003550700000000, 0.0003215500000000 ] - [ 0.0001348000000000, -0.0002707800000000, 0.0002694000000000 ] - [ 0.0001191100000000, -0.0001530200000000, 0.0005437500000000 ] - [ -0.0001487200000000, 0.0001968200000000, -0.0000402400000000 ] - [ -0.0000275200000000, 0.0001192200000000, -0.0000917400000000 ] - [ 0.0000717800000000, 0.0001626700000000, -0.0002362700000000 ] - [ -0.0000582500000000, 0.0002342600000000, -0.0002211600000000 ] - [ -0.0029111300000000, -0.0004110400000000, -0.0007864500000000 ] - [ 0.0003648600000000, -0.0000248400000000, 0.0006256600000000 ] - [ -0.0000361900000000, 0.0002872100000000, 0.0004682600000000 ] - [ 0.0000311800000000, 0.0001879200000000, 0.0001683500000000 ] - [ 0.0001676000000000, -0.0003532700000000, -0.0000566700000000 ] - [ 0.0001273700000000, -0.0001157100000000, -0.0004974400000000 ] - [ 0.0001985700000000, -0.0000325100000000, 0.0001204100000000 ] - [ 0.0001479900000000, -0.0004433800000000, -0.0004221100000000 ] - [ 0.0021246500000000, -0.0024435500000000, -0.0002562000000000 ] - [ 0.0021027500000000, 0.0025979900000000, -0.0000722700000000 ] - [ -0.0000726300000000, 0.0001143400000000, -0.0003868000000000 ] - [ -0.0000830900000000, 0.0001960800000000, -0.0005044300000000 ] - [ -0.0002543500000000, -0.0001662300000000, 0.0006495000000000 ] - [ 0.0000657100000000, -0.0003089300000000, 0.0003684300000000 ] - [ 0.0000437600000000, -0.0002612800000000, 0.0002122000000000 ] - [ -0.0002828700000000, -0.0001823300000000, 0.0005495400000000 ] - [ -0.0000301800000000, 0.0000363300000000, -0.0000374100000000 ] - [ 0.0000001900000000, 0.0002216200000000, -0.0000559800000000 ] - [ 0.0000874700000000, 0.0001293100000000, -0.0000028900000000 ] - [ 0.0000640800000000, 0.0001143900000000, -0.0000151300000000 ] - [ 0.0041448800000000, -0.0004184800000000, 0.0030329700000000 ] - [ 0.0048194600000000, -0.0002922800000000, -0.0034529800000000 ] - [ 0.0001248100000000, -0.0000874200000000, -0.0000380400000000 ] - [ 0.0001313000000000, -0.0001121600000000, 0.0000180100000000 ] - [ -0.0002105300000000, -0.0004203700000000, -0.0003350100000000 ] - [ -0.0001822600000000, -0.0000753400000000, 0.0000455600000000 ] - [ -0.0001093700000000, 0.0000292700000000, 0.0000056100000000 ] - [ -0.0000215900000000, 0.0000061600000000, -0.0000553700000000 ] - [ -0.0000950800000000, -0.0000416500000000, -0.0000306200000000 ] - [ -0.0000135200000000, -0.0000027800000000, 0.0000132600000000 ] - [ -0.0002477800000000, 0.0001384200000000, -0.0000522800000000 ] - [ -0.0000236300000000, 0.0000096800000000, -0.0000539900000000 ] - [ -0.0000129600000000, -0.0000189100000000, 0.0000368000000000 ] - [ 0.0002516600000000, -0.0001571300000000, 0.0002797100000000 ] - [ 0.0000796900000000, 0.0000347400000000, 0.0000435500000000 ] - [ 0.0000547700000000, 0.0000143000000000, -0.0000077000000000 ] - [ 0.0000034500000000, -0.0000721600000000, 0.0000546700000000 ] - [ 0.0000541600000000, 0.0000188100000000, 0.0000175800000000 ] - [ 0.0000555500000000, 0.0001316400000000, 0.0000372100000000 ] - [ 0.0002050600000000, 0.0000067200000000, 0.0000584900000000 ] - [ -0.0001314200000000, 0.0000425100000000, -0.0000487600000000 ] - [ -0.0001181900000000, 0.0003877000000000, 0.0002893100000000 ] - [ -0.0000762400000000, 0.0001593600000000, -0.0000036000000000 ] - [ -0.0001182900000000, 0.0001215300000000, 0.0000007600000000 ] - [ -0.0003655000000000, -0.0001251500000000, 0.0001524500000000 ] - [ -0.0000767200000000, -0.0001918600000000, -0.0000203400000000 ] - [ -0.0001112300000000, -0.0001056200000000, -0.0000213900000000 ] - [ -0.0000973600000000, -0.0000511200000000, 0.0000486400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001818100000000, 0.0004734500000000, -0.0000896000000000 ] - [ 0.0001153300000000, 0.0000096400000000, 0.0000102700000000 ] - [ -0.0000522500000000, -0.0004091100000000, 0.0001259600000000 ] - [ -0.0001388100000000, -0.0002001100000000, -0.0001216400000000 ] - [ -0.0001200400000000, 0.0006877600000000, -0.0001620500000000 ] - [ -0.0000820200000000, 0.0003003100000000, 0.0001369900000000 ] - [ -0.0000685300000000, 0.0002366400000000, 0.0002682100000000 ] - [ -0.0001452400000000, 0.0004666400000000, -0.0002382600000000 ] - [ -0.0003896000000000, 0.0006136000000000, -0.0008117200000000 ] - [ 0.0000005300000000, 0.0006285800000000, 0.0002477800000000 ] - [ -0.0003470800000000, -0.0000922500000000, -0.0003552900000000 ] - [ 0.0000428800000000, 0.0006174500000000, 0.0002532500000000 ] - [ 0.0000286500000000, 0.0001925300000000, 0.0000150100000000 ] - [ 0.0000645100000000, 0.0001919600000000, -0.0000679800000000 ] - [ 0.0000552700000000, 0.0005985200000000, 0.0000093000000000 ] - [ 0.0000508400000000, -0.0002221500000000, -0.0000628500000000 ] - [ -0.0296272300000000, 0.0221692000000000, -0.0222362900000000 ] - [ -0.0013073000000000, 0.0000594300000000, 0.0010067000000000 ] - [ 0.0000156700000000, 0.0003327300000000, 0.0000070600000000 ] - [ 0.0001158300000000, 0.0002645200000000, 0.0001020700000000 ] - [ -0.0275829000000000, 0.0204595500000000, 0.0219279500000000 ] - [ -0.0022696500000000, 0.0002177900000000, -0.0001623700000000 ] - [ -0.0001009700000000, -0.0003371800000000, 0.0001244500000000 ] - [ -0.0001729100000000, -0.0001857200000000, -0.0001889100000000 ] - [ 0.0002480800000000, -0.0004911500000000, 0.0007648200000000 ] - [ 0.0003604700000000, -0.0007248300000000, -0.0000165100000000 ] - [ 0.0000676400000000, -0.0007839200000000, -0.0000231800000000 ] - [ 0.0000595600000000, 0.0000138300000000, 0.0002467400000000 ] - [ -0.0317903100000000, -0.0281464700000000, -0.0288931600000000 ] - [ 0.0008756100000000, -0.0002789100000000, 0.0011324500000000 ] - [ 0.0000091200000000, 0.0006690700000000, 0.0000237700000000 ] - [ 0.0002303200000000, -0.0000064700000000, 0.0000400500000000 ] - [ 0.0005177200000000, -0.0002271300000000, -0.0002602300000000 ] - [ -0.0002407400000000, -0.0004769600000000, 0.0003252900000000 ] - [ 0.0000132100000000, -0.0001619300000000, 0.0000887100000000 ] - [ 0.0001533800000000, 0.0005246200000000, -0.0000852500000000 ] - [ 0.0003405800000000, 0.0000432100000000, -0.0006053500000000 ] - [ 0.0005652900000000, -0.0006994400000000, 0.0004344800000000 ] - [ -0.0000266700000000, -0.0002219900000000, 0.0003584400000000 ] - [ 0.0000177200000000, -0.0002686200000000, -0.0002703100000000 ] - [ 0.0000475700000000, -0.0002682800000000, -0.0000610700000000 ] - [ -0.0000547500000000, -0.0001839300000000, 0.0002355200000000 ] - [ -0.0001011900000000, -0.0002353000000000, 0.0000597000000000 ] - [ 0.0000139500000000, -0.0000836400000000, -0.0000191800000000 ] - [ -0.0000593000000000, -0.0005171400000000, -0.0000973200000000 ] - [ 0.0002161200000000, -0.0004233300000000, 0.0000736600000000 ] - [ 0.0002440300000000, -0.0002998900000000, 0.0001625200000000 ] - [ -0.0000797400000000, 0.0000360200000000, -0.0001852400000000 ] - [ 0.1034687100000000, -0.0174686900000000, 0.0308244100000000 ] - [ -0.0001497800000000, 0.0001898600000000, -0.0006204300000000 ] - [ 0.0000418400000000, -0.0001781000000000, -0.0001292000000000 ] - [ -0.0001623600000000, -0.0002896600000000, -0.0004096600000000 ] - [ 0.0017628500000000, 0.0007519800000000, 0.0014265000000000 ] - [ 0.0001187400000000, 0.0001561100000000, -0.0002220900000000 ] - [ 0.0001187700000000, 0.0002252900000000, 0.0001637300000000 ] - [ -0.0001108200000000, -0.0000022700000000, 0.0001703800000000 ] - [ -0.0010343300000000, 0.0000022400000000, 0.0003042000000000 ] - [ -0.0005828000000000, -0.0012203600000000, -0.0043806900000000 ] - [ 0.0000503100000000, -0.0003011500000000, 0.0000911100000000 ] - [ -0.0000606600000000, -0.0002914400000000, 0.0001852500000000 ] - [ -0.0007329100000000, -0.0001404600000000, 0.0004187700000000 ] - [ -0.0019276500000000, 0.0024575000000000, -0.0004103600000000 ] - [ 0.0000873500000000, 0.0000629700000000, -0.0000676600000000 ] - [ -0.0001500500000000, 0.0001977800000000, -0.0001082200000000 ] - [ -0.0001796800000000, 0.0001225700000000, 0.0001218200000000 ] - [ -0.0000112100000000, 0.0001257400000000, -0.0000353100000000 ] - [ 0.0000998000000000, 0.0002192100000000, 0.0001696900000000 ] - [ -0.0001125400000000, 0.0001213600000000, 0.0001964000000000 ] - [ 0.0002539400000000, -0.0001663700000000, -0.0002816400000000 ] - [ 0.0000331600000000, -0.0001269300000000, -0.0001391500000000 ] - [ -0.0000806100000000, -0.0001875700000000, -0.0002141400000000 ] - [ 0.0000657400000000, -0.0003594500000000, -0.0001925500000000 ] - [ 0.0001172100000000, 0.0001714200000000, 0.0000299400000000 ] - [ 0.0000054700000000, 0.0001022200000000, -0.0002264000000000 ] - [ -0.0000471100000000, 0.0000469900000000, -0.0003525900000000 ] - [ -0.0000400800000000, 0.0002249200000000, -0.0001317600000000 ] - [ -0.0004351800000000, -0.0000259700000000, 0.0001465100000000 ] - [ -0.0003634300000000, -0.0001153200000000, 0.0002568900000000 ] - [ -0.0000753200000000, -0.0003143300000000, 0.0002186600000000 ] - [ 0.0000037000000000, -0.0001787800000000, 0.0003990600000000 ] - [ 0.0000473300000000, -0.0000529500000000, -0.0001821500000000 ] - [ 0.0000558200000000, -0.0001289200000000, -0.0000984900000000 ] - [ 0.0000193700000000, -0.0002296300000000, -0.0002752800000000 ] - [ 0.0000923400000000, -0.0001296300000000, -0.0001210600000000 ] - [ -0.0002744000000000, 0.0002015000000000, 0.0003578400000000 ] - [ -0.0002020800000000, 0.0001443600000000, 0.0001181300000000 ] - [ -0.0000803900000000, 0.0001621500000000, 0.0002460500000000 ] - [ -0.0000678300000000, 0.0002278300000000, 0.0003252100000000 ] - [ -0.0000043400000000, -0.0001699700000000, 0.0001596500000000 ] - [ -0.0000096300000000, 0.0000321500000000, 0.0002545300000000 ] - [ 0.0000032300000000, -0.0001000700000000, 0.0004190800000000 ] - [ -0.0000252900000000, -0.0002082800000000, 0.0000342900000000 ] - [ 0.0003348200000000, 0.0001210000000000, -0.0005742700000000 ] - [ 0.0001521700000000, 0.0001696900000000, -0.0003941700000000 ] - [ 0.0000574700000000, 0.0001925300000000, -0.0004032500000000 ] - [ 0.0001948300000000, 0.0001328600000000, -0.0003958000000000 ] - [ 0.0030301200000000, 0.0007355900000000, 0.0013819500000000 ] - [ -0.0001832700000000, 0.0002851200000000, -0.0000466000000000 ] - [ 0.0001279000000000, 0.0000722400000000, 0.0001081200000000 ] - [ 0.0000736400000000, 0.0002603800000000, 0.0004927200000000 ] - [ -0.0000681800000000, 0.0000143100000000, -0.0004922500000000 ] - [ -0.0000260700000000, -0.0002799600000000, -0.0000857300000000 ] - [ -0.0000841700000000, -0.0002846500000000, -0.0006784300000000 ] - [ 0.0000212500000000, 0.0001668800000000, -0.0001924500000000 ] - [ -0.0022582600000000, 0.0027100200000000, -0.0002874800000000 ] - [ -0.0022839600000000, -0.0023543800000000, -0.0005469000000000 ] - [ -0.0000117900000000, 0.0002566100000000, -0.0002347200000000 ] - [ -0.0000288500000000, 0.0002381600000000, -0.0001123700000000 ] - [ 0.0001550700000000, -0.0001785800000000, -0.0000709500000000 ] - [ -0.0001689800000000, -0.0000730300000000, 0.0001909500000000 ] - [ -0.0001665900000000, -0.0000438700000000, 0.0003309900000000 ] - [ 0.0001228600000000, -0.0001019000000000, 0.0000810500000000 ] - [ 0.0002498700000000, 0.0000363400000000, 0.0000472100000000 ] - [ 0.0002099000000000, -0.0001774200000000, 0.0000154600000000 ] - [ 0.0001173800000000, -0.0000504100000000, 0.0000224500000000 ] - [ 0.0001439700000000, -0.0000199400000000, 0.0000106800000000 ] - [ -0.0038277600000000, 0.0003353000000000, -0.0029202600000000 ] - [ -0.0047467700000000, 0.0002304200000000, 0.0035883300000000 ] - [ 0.0000777600000000, -0.0000138000000000, 0.0000384600000000 ] - [ 0.0000778000000000, 0.0000147000000000, -0.0000741600000000 ] - [ -0.0000005300000000, 0.0004753000000000, 0.0003413200000000 ] - [ -0.0000203800000000, 0.0001621700000000, -0.0000691900000000 ] - [ -0.0001029700000000, 0.0000579200000000, -0.0000283700000000 ] - [ -0.0001837000000000, 0.0000857200000000, 0.0000689800000000 ] - [ -0.0001123700000000, -0.0000221900000000, 0.0000414900000000 ] - [ -0.0001856900000000, -0.0000731100000000, -0.0000042600000000 ] - [ 0.0000344100000000, -0.0002075300000000, 0.0000877900000000 ] - [ -0.0001827200000000, -0.0000825800000000, 0.0000311100000000 ] - [ 0.0002185200000000, 0.0001064900000000, -0.0000267500000000 ] - [ -0.0000365400000000, 0.0002312500000000, -0.0002850700000000 ] - [ 0.0001190400000000, 0.0000607900000000, -0.0000697900000000 ] - [ 0.0001637400000000, 0.0000693900000000, 0.0000426000000000 ] - [ 0.0002007700000000, 0.0000069600000000, -0.0000742400000000 ] - [ 0.0001475900000000, -0.0000928300000000, -0.0000186600000000 ] - [ 0.0001576600000000, -0.0002064800000000, -0.0000725000000000 ] - [ 0.0000012700000000, -0.0000737500000000, -0.0000348000000000 ] - [ -0.0000880800000000, 0.0000047600000000, 0.0000326300000000 ] - [ -0.0000886700000000, -0.0003355800000000, -0.0002490100000000 ] - [ -0.0001319300000000, -0.0000801900000000, -0.0000061400000000 ] - [ -0.0000863200000000, -0.0000275500000000, -0.0000062800000000 ] - [ 0.0001522100000000, 0.0000489900000000, -0.0001716200000000 ] - [ -0.0001204700000000, 0.0001185600000000, 0.0000372700000000 ] - [ -0.0001015000000000, 0.0000159700000000, 0.0000596200000000 ] - [ -0.0001015500000000, -0.0000577400000000, -0.0000313900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002440900000000, -0.0004001900000000, 0.0002196200000000 ] - [ -0.0001255700000000, -0.0003566600000000, -0.0002222700000000 ] - [ 0.0000311700000000, -0.0004640000000000, -0.0000838200000000 ] - [ -0.0001026800000000, -0.0001326900000000, 0.0001799400000000 ] - [ 0.0000599500000000, 0.0003618500000000, 0.0001139000000000 ] - [ -0.0000776400000000, 0.0003155400000000, -0.0000753200000000 ] - [ -0.0000597600000000, 0.0003384500000000, -0.0003503900000000 ] - [ -0.0000837400000000, -0.0002297600000000, 0.0003009800000000 ] - [ 0.0001184400000000, 0.0019673500000000, -0.0008055800000000 ] - [ 0.0000573400000000, -0.0007149400000000, 0.0000868800000000 ] - [ -0.0001246000000000, -0.0005530800000000, -0.0002322400000000 ] - [ -0.0002656900000000, 0.0004306100000000, -0.0000274500000000 ] - [ -0.0001107500000000, 0.0001185300000000, -0.0000771200000000 ] - [ 0.0000278700000000, -0.0002738700000000, -0.0001002100000000 ] - [ 0.0000395200000000, -0.0005052000000000, 0.0000336900000000 ] - [ 0.0001094900000000, 0.0004105800000000, 0.0000514000000000 ] - [ -0.0233041800000000, 0.0281988500000000, -0.0242108000000000 ] - [ 0.0004568700000000, 0.0012015400000000, 0.0010038100000000 ] - [ 0.0002020900000000, 0.0003092700000000, -0.0001713700000000 ] - [ 0.0000584200000000, -0.0002610600000000, 0.0000363200000000 ] - [ -0.0192076600000000, 0.0288390900000000, 0.0212906100000000 ] - [ 0.0004901700000000, 0.0003348700000000, -0.0012786600000000 ] - [ -0.0001415800000000, -0.0002825300000000, -0.0003537200000000 ] - [ -0.0000104300000000, -0.0005994600000000, 0.0002208600000000 ] - [ 0.0005777100000000, -0.0001473900000000, 0.0005121500000000 ] - [ 0.0001744800000000, 0.0000137100000000, -0.0007565400000000 ] - [ -0.0000574800000000, 0.0000950600000000, -0.0001506900000000 ] - [ 0.0001656100000000, -0.0000406700000000, 0.0003787500000000 ] - [ 0.0265775800000000, 0.0318716300000000, 0.0285870400000000 ] - [ -0.0000624900000000, -0.0005304200000000, -0.0008043100000000 ] - [ -0.0000000100000000, -0.0002739600000000, 0.0002519100000000 ] - [ 0.0001110300000000, 0.0002469600000000, -0.0000756200000000 ] - [ 0.0003652900000000, -0.0002210800000000, -0.0000883700000000 ] - [ 0.0000248300000000, 0.0002100200000000, 0.0001774200000000 ] - [ -0.0000407600000000, 0.0000643100000000, 0.0001141300000000 ] - [ 0.0001059200000000, 0.0000298800000000, -0.0002026800000000 ] - [ -0.0001033200000000, 0.0021723800000000, 0.0003406600000000 ] - [ 0.0001987100000000, -0.0005815400000000, -0.0001787500000000 ] - [ -0.0001379300000000, -0.0005992900000000, 0.0001001100000000 ] - [ 0.0000585900000000, 0.0001881600000000, 0.0001609100000000 ] - [ -0.0000937000000000, -0.0002039400000000, 0.0000831800000000 ] - [ 0.0001465800000000, 0.0003265100000000, 0.0000642000000000 ] - [ -0.0001569900000000, 0.0002206800000000, 0.0000346100000000 ] - [ -0.0000326900000000, -0.0001110000000000, -0.0000956500000000 ] - [ 0.0000330800000000, -0.0001017200000000, 0.0001861600000000 ] - [ 0.0001373100000000, 0.0000445000000000, 0.0000252400000000 ] - [ -0.0000009900000000, 0.0007909200000000, -0.0001692400000000 ] - [ 0.0000438300000000, -0.0003208100000000, 0.0001019600000000 ] - [ 0.0180355100000000, -0.1039922400000000, -0.0273668000000000 ] - [ -0.0003863700000000, -0.0001841500000000, -0.0004062200000000 ] - [ -0.0000401500000000, -0.0003391100000000, -0.0001019200000000 ] - [ -0.0000060200000000, -0.0000829500000000, -0.0004781200000000 ] - [ 0.0005231100000000, 0.0020838100000000, -0.0007584800000000 ] - [ -0.0001031500000000, -0.0002694600000000, 0.0004830900000000 ] - [ 0.0000161500000000, 0.0000173900000000, 0.0002647200000000 ] - [ -0.0002278900000000, 0.0001962600000000, 0.0003224900000000 ] - [ 0.0002135200000000, -0.0018145700000000, -0.0009945900000000 ] - [ -0.0009788700000000, -0.0027250800000000, -0.0007486500000000 ] - [ -0.0000456300000000, -0.0001547200000000, 0.0004864800000000 ] - [ -0.0000332100000000, -0.0001056600000000, 0.0001638200000000 ] - [ 0.0003793700000000, 0.0003015000000000, -0.0005832700000000 ] - [ -0.0022201900000000, 0.0031964200000000, 0.0004308900000000 ] - [ 0.0001563400000000, 0.0003749000000000, -0.0004600300000000 ] - [ 0.0000200300000000, -0.0000847400000000, -0.0001668400000000 ] - [ 0.0001173500000000, 0.0002888300000000, 0.0004130300000000 ] - [ 0.0000917800000000, -0.0000243300000000, 0.0001609400000000 ] - [ 0.0000305500000000, 0.0000416600000000, 0.0003862900000000 ] - [ 0.0001788300000000, 0.0002224700000000, 0.0002404800000000 ] - [ 0.0000610700000000, -0.0002139900000000, -0.0005217300000000 ] - [ 0.0000786000000000, -0.0000620500000000, 0.0000981000000000 ] - [ 0.0000521200000000, -0.0002041600000000, -0.0002477300000000 ] - [ -0.0000571500000000, -0.0000805200000000, -0.0003679500000000 ] - [ -0.0000463500000000, -0.0000043000000000, -0.0004078800000000 ] - [ -0.0001379900000000, 0.0001905100000000, -0.0002203100000000 ] - [ -0.0002600100000000, 0.0000710600000000, -0.0001747100000000 ] - [ -0.0000166200000000, 0.0001292500000000, -0.0004479500000000 ] - [ -0.0001944400000000, 0.0000938200000000, 0.0003111100000000 ] - [ -0.0000954800000000, -0.0001098300000000, 0.0006144700000000 ] - [ 0.0000241200000000, 0.0000263200000000, 0.0002846200000000 ] - [ -0.0000724800000000, -0.0003857300000000, 0.0002489500000000 ] - [ -0.0001422900000000, -0.0003469400000000, -0.0004120900000000 ] - [ 0.0000039500000000, -0.0000993500000000, -0.0000670700000000 ] - [ -0.0001274200000000, -0.0000494500000000, -0.0003181300000000 ] - [ -0.0001746200000000, -0.0003483800000000, -0.0001005100000000 ] - [ -0.0000732800000000, 0.0003091200000000, 0.0001940900000000 ] - [ 0.0000105000000000, 0.0003355500000000, 0.0000600500000000 ] - [ -0.0000615200000000, 0.0001473200000000, 0.0003911300000000 ] - [ -0.0000697600000000, 0.0001764400000000, 0.0001206800000000 ] - [ 0.0001653800000000, -0.0002175200000000, 0.0003095200000000 ] - [ 0.0000237400000000, -0.0001420300000000, 0.0002675500000000 ] - [ 0.0000831100000000, -0.0001930900000000, 0.0003133700000000 ] - [ 0.0002636000000000, -0.0001179500000000, 0.0002204400000000 ] - [ 0.0001039900000000, 0.0003545900000000, -0.0003002200000000 ] - [ 0.0000128400000000, 0.0000640600000000, -0.0003910000000000 ] - [ 0.0000758700000000, 0.0001302100000000, -0.0002996700000000 ] - [ 0.0001211500000000, 0.0002734200000000, -0.0001576800000000 ] - [ -0.0004993500000000, 0.0013636000000000, 0.0055010000000000 ] - [ -0.0001191900000000, 0.0000337100000000, 0.0001527000000000 ] - [ 0.0001706100000000, 0.0005455800000000, 0.0000800600000000 ] - [ 0.0000566500000000, 0.0000761800000000, 0.0001397600000000 ] - [ -0.0000537000000000, -0.0002330800000000, -0.0005122100000000 ] - [ 0.0003594400000000, -0.0000951800000000, 0.0000297500000000 ] - [ 0.0002536700000000, -0.0002204600000000, -0.0002422300000000 ] - [ 0.0000085700000000, -0.0000903500000000, -0.0004007400000000 ] - [ -0.0025254600000000, 0.0015065300000000, 0.0000234600000000 ] - [ 0.0025216300000000, 0.0015263200000000, 0.0006553400000000 ] - [ -0.0000868800000000, 0.0002923900000000, -0.0001633800000000 ] - [ 0.0000234800000000, 0.0003097900000000, -0.0001200000000000 ] - [ -0.0001157500000000, -0.0001106800000000, 0.0003523900000000 ] - [ -0.0001537900000000, -0.0001016500000000, -0.0003402900000000 ] - [ -0.0002231700000000, -0.0000761600000000, 0.0004120500000000 ] - [ -0.0000497500000000, -0.0001235800000000, 0.0000245100000000 ] - [ -0.0000201300000000, 0.0043437800000000, -0.0030102000000000 ] - [ 0.0001325700000000, 0.0000569200000000, 0.0000220500000000 ] - [ 0.0000547100000000, 0.0000250500000000, 0.0000223800000000 ] - [ 0.0001035200000000, 0.0000226900000000, -0.0000077700000000 ] - [ -0.0000992100000000, -0.0001464900000000, -0.0001778800000000 ] - [ 0.0000358300000000, -0.0001740200000000, 0.0001641400000000 ] - [ 0.0000965200000000, -0.0000687100000000, 0.0000513400000000 ] - [ 0.0001778500000000, -0.0000693600000000, -0.0000441000000000 ] - [ -0.0005836900000000, 0.0036907200000000, 0.0028330600000000 ] - [ 0.0000036600000000, 0.0000216600000000, 0.0000133200000000 ] - [ -0.0001310700000000, 0.0000101000000000, -0.0000036300000000 ] - [ -0.0001002600000000, 0.0000330900000000, 0.0000153400000000 ] - [ -0.0001850700000000, -0.0000910700000000, 0.0000146900000000 ] - [ 0.0000552400000000, -0.0000050500000000, 0.0000645100000000 ] - [ -0.0000759300000000, -0.0000770300000000, 0.0000523400000000 ] - [ 0.0000086700000000, 0.0000047200000000, -0.0000269500000000 ] - [ 0.0001795600000000, 0.0000397400000000, 0.0000422100000000 ] - [ 0.0000722000000000, -0.0000600700000000, -0.0002322400000000 ] - [ 0.0000698600000000, 0.0000174300000000, -0.0000404300000000 ] - [ 0.0001512700000000, 0.0000114700000000, 0.0000267100000000 ] - [ -0.0000205700000000, 0.0000891600000000, -0.0000807200000000 ] - [ 0.0001775400000000, -0.0000024200000000, -0.0000190200000000 ] - [ -0.0000236800000000, -0.0000298700000000, -0.0000132600000000 ] - [ 0.0001158300000000, 0.0000143200000000, -0.0000065500000000 ] - [ -0.0001371600000000, 0.0000993800000000, 0.0001588800000000 ] - [ 0.0001122000000000, -0.0000153700000000, 0.0000816500000000 ] - [ -0.0001176800000000, 0.0000395500000000, 0.0000391900000000 ] - [ -0.0000632300000000, 0.0000152100000000, -0.0000363800000000 ] - [ -0.0002462200000000, -0.0001387600000000, 0.0000346100000000 ] - [ -0.0001561800000000, 0.0000033300000000, 0.0000417800000000 ] - [ -0.0001325300000000, -0.0000440000000000, 0.0000032800000000 ] - [ -0.0001203100000000, -0.0000876900000000, -0.0000069400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002414600000000, 0.0000235000000000, -0.0002169000000000 ] - [ 0.0001302200000000, 0.0001410100000000, 0.0002453600000000 ] - [ -0.0000283200000000, 0.0000643700000000, 0.0001047500000000 ] - [ 0.0001011800000000, -0.0000120700000000, -0.0001709500000000 ] - [ -0.0000433000000000, 0.0000451600000000, -0.0001206300000000 ] - [ 0.0000602400000000, -0.0001585600000000, 0.0000527200000000 ] - [ 0.0000460200000000, 0.0000663800000000, 0.0003305900000000 ] - [ 0.0000985000000000, 0.0004770700000000, -0.0003061300000000 ] - [ -0.0000800700000000, -0.0015732900000000, 0.0007840300000000 ] - [ -0.0000952000000000, 0.0009855700000000, -0.0000835500000000 ] - [ 0.0001370600000000, 0.0009430200000000, 0.0002052200000000 ] - [ 0.0002455800000000, -0.0001004200000000, 0.0000229500000000 ] - [ 0.0001260300000000, -0.0000843000000000, 0.0000660200000000 ] - [ -0.0000493900000000, 0.0003309500000000, 0.0001029900000000 ] - [ -0.0000234800000000, 0.0005242100000000, -0.0000319100000000 ] - [ -0.0001274600000000, -0.0003910900000000, -0.0000548400000000 ] - [ 0.0225951300000000, -0.0277073200000000, 0.0235745200000000 ] - [ -0.0004664400000000, -0.0012466400000000, -0.0010246400000000 ] - [ -0.0001930900000000, -0.0002932300000000, 0.0001569800000000 ] - [ -0.0000628900000000, 0.0002497700000000, -0.0000229900000000 ] - [ 0.0198977300000000, -0.0299300900000000, -0.0219822300000000 ] - [ -0.0005197200000000, -0.0006682200000000, 0.0012947300000000 ] - [ 0.0001876000000000, -0.0000614400000000, 0.0003665000000000 ] - [ -0.0000340300000000, 0.0003318500000000, -0.0002074900000000 ] - [ -0.0005985800000000, -0.0001390100000000, -0.0004720000000000 ] - [ -0.0001509500000000, -0.0002852800000000, 0.0007182000000000 ] - [ 0.0000671600000000, -0.0004362400000000, 0.0001820000000000 ] - [ -0.0001768400000000, -0.0002639200000000, -0.0003897800000000 ] - [ -0.0272711200000000, -0.0321379900000000, -0.0294567600000000 ] - [ 0.0000378000000000, 0.0008391300000000, 0.0008424900000000 ] - [ -0.0000351600000000, 0.0005898100000000, -0.0002980800000000 ] - [ -0.0000787400000000, 0.0000488400000000, 0.0000928100000000 ] - [ -0.0003334600000000, 0.0006285600000000, 0.0001227500000000 ] - [ -0.0000640900000000, 0.0001433500000000, -0.0002322500000000 ] - [ 0.0000699100000000, 0.0002647700000000, -0.0000598700000000 ] - [ -0.0001348900000000, 0.0003295300000000, 0.0001161300000000 ] - [ 0.0001131400000000, -0.0020641300000000, -0.0003861900000000 ] - [ -0.0002060500000000, 0.0006168900000000, 0.0001797900000000 ] - [ 0.0001442000000000, 0.0005528000000000, -0.0000958200000000 ] - [ -0.0000726700000000, -0.0001906500000000, -0.0001680900000000 ] - [ 0.0000938800000000, 0.0001479800000000, -0.0000821500000000 ] - [ -0.0001399100000000, -0.0003912500000000, -0.0000585600000000 ] - [ 0.0001532900000000, -0.0002247800000000, -0.0000235700000000 ] - [ 0.0000343600000000, 0.0001035000000000, 0.0000877700000000 ] - [ 0.0000102500000000, -0.0003026200000000, -0.0002322700000000 ] - [ -0.0001752400000000, -0.0004053200000000, 0.0000541800000000 ] - [ 0.0000276400000000, -0.0011453600000000, 0.0001358400000000 ] - [ -0.0000742100000000, -0.0000702400000000, -0.0000462400000000 ] - [ -0.0173342200000000, 0.1042058800000000, 0.0288923300000000 ] - [ 0.0002931300000000, -0.0002274900000000, -0.0001715400000000 ] - [ -0.0000798900000000, 0.0000181200000000, -0.0004424000000000 ] - [ -0.0001178000000000, -0.0003069500000000, -0.0001295800000000 ] - [ -0.0006252100000000, -0.0017324500000000, 0.0012666200000000 ] - [ 0.0000131300000000, 0.0006627100000000, 0.0000776800000000 ] - [ -0.0001229200000000, 0.0003158600000000, 0.0003148200000000 ] - [ 0.0001111900000000, 0.0001706500000000, 0.0002389600000000 ] - [ -0.0001466500000000, 0.0014135000000000, 0.0016222900000000 ] - [ 0.0011060100000000, 0.0023460700000000, 0.0013416600000000 ] - [ 0.0001685300000000, -0.0002251300000000, 0.0000764900000000 ] - [ 0.0001550800000000, -0.0002226500000000, 0.0004282500000000 ] - [ -0.0002933600000000, 0.0000822100000000, 0.0000413500000000 ] - [ 0.0022874700000000, -0.0028307100000000, -0.0010069900000000 ] - [ -0.0000549000000000, 0.0000086600000000, -0.0001142400000000 ] - [ 0.0001050300000000, 0.0004029100000000, -0.0004011400000000 ] - [ 0.0000248800000000, 0.0000540900000000, 0.0002212500000000 ] - [ 0.0000819900000000, 0.0003142800000000, 0.0004426900000000 ] - [ 0.0000908900000000, 0.0003108800000000, 0.0002497300000000 ] - [ -0.0000343400000000, 0.0001305500000000, 0.0003547000000000 ] - [ 0.0000617200000000, -0.0000770400000000, -0.0000437400000000 ] - [ 0.0000898500000000, -0.0001875300000000, -0.0006309200000000 ] - [ 0.0000900700000000, -0.0001391400000000, -0.0003620500000000 ] - [ 0.0002091600000000, -0.0002524800000000, -0.0002021000000000 ] - [ -0.0001029600000000, 0.0003153000000000, -0.0002224600000000 ] - [ -0.0000275500000000, 0.0001335700000000, -0.0003829000000000 ] - [ 0.0001386300000000, 0.0002996500000000, -0.0004467000000000 ] - [ -0.0001262700000000, 0.0002068000000000, -0.0001562500000000 ] - [ 0.0000521900000000, -0.0003666000000000, 0.0002590800000000 ] - [ -0.0000521000000000, -0.0001564500000000, -0.0000918500000000 ] - [ -0.0001535600000000, -0.0003735000000000, 0.0003035400000000 ] - [ -0.0000910600000000, 0.0000557900000000, 0.0003434500000000 ] - [ -0.0000260900000000, 0.0000195700000000, -0.0002371100000000 ] - [ -0.0000731400000000, -0.0002741300000000, -0.0004460800000000 ] - [ -0.0000296700000000, -0.0002859700000000, -0.0003027100000000 ] - [ 0.0000874300000000, -0.0000202200000000, -0.0004814900000000 ] - [ -0.0000916900000000, -0.0000181700000000, 0.0003424600000000 ] - [ -0.0001037300000000, -0.0000244000000000, 0.0004161300000000 ] - [ -0.0001030200000000, 0.0001626500000000, 0.0002421900000000 ] - [ 0.0000049100000000, 0.0002009300000000, 0.0004085900000000 ] - [ 0.0000087700000000, -0.0001047100000000, 0.0003083100000000 ] - [ 0.0000402800000000, -0.0002374900000000, 0.0002692500000000 ] - [ 0.0000669900000000, -0.0001535800000000, 0.0003260900000000 ] - [ -0.0001692300000000, -0.0002404600000000, 0.0003413000000000 ] - [ 0.0000582400000000, -0.0000576000000000, -0.0002457600000000 ] - [ 0.0000844600000000, 0.0002399900000000, -0.0000878800000000 ] - [ 0.0000864600000000, 0.0001850900000000, -0.0003350700000000 ] - [ -0.0000533900000000, 0.0001001000000000, -0.0003680100000000 ] - [ 0.0006413100000000, -0.0009914300000000, -0.0049645800000000 ] - [ 0.0002298000000000, 0.0003722500000000, 0.0004718300000000 ] - [ -0.0000286900000000, -0.0002355700000000, 0.0004685200000000 ] - [ 0.0000594000000000, 0.0003109200000000, 0.0004998700000000 ] - [ 0.0002188000000000, -0.0000999700000000, -0.0000556200000000 ] - [ -0.0002207900000000, -0.0002901500000000, -0.0006395600000000 ] - [ -0.0001139300000000, -0.0001217100000000, -0.0002852500000000 ] - [ 0.0001003400000000, -0.0002714100000000, -0.0001839500000000 ] - [ 0.0024090900000000, -0.0010973000000000, -0.0006638100000000 ] - [ -0.0026465800000000, -0.0011334900000000, -0.0012749000000000 ] - [ -0.0000371300000000, 0.0000328300000000, -0.0004479400000000 ] - [ -0.0001569100000000, 0.0000575200000000, -0.0004583700000000 ] - [ -0.0000408700000000, -0.0002270900000000, 0.0002593300000000 ] - [ 0.0000189000000000, -0.0002734200000000, 0.0009157500000000 ] - [ 0.0000897800000000, -0.0002809900000000, 0.0001611900000000 ] - [ -0.0000671000000000, -0.0002273200000000, 0.0005338900000000 ] - [ 0.0002545100000000, -0.0044073900000000, 0.0031008100000000 ] - [ 0.0000569600000000, 0.0000353100000000, -0.0000634100000000 ] - [ 0.0001667900000000, 0.0000319500000000, 0.0000005400000000 ] - [ 0.0000754300000000, 0.0000813100000000, -0.0000299300000000 ] - [ 0.0002723500000000, 0.0000641600000000, 0.0001492400000000 ] - [ 0.0001939100000000, 0.0001172700000000, -0.0001812300000000 ] - [ 0.0001086900000000, -0.0000112500000000, -0.0000322300000000 ] - [ 0.0000334400000000, 0.0000056800000000, 0.0000426000000000 ] - [ 0.0003694900000000, -0.0034994000000000, -0.0026989200000000 ] - [ -0.0002019600000000, 0.0000508800000000, -0.0000011400000000 ] - [ -0.0000737400000000, 0.0000728200000000, 0.0000171300000000 ] - [ -0.0001100400000000, 0.0000423400000000, -0.0000003800000000 ] - [ -0.0000477200000000, 0.0000216800000000, -0.0000052300000000 ] - [ -0.0002339600000000, -0.0001019500000000, -0.0000921900000000 ] - [ -0.0001529400000000, 0.0000116800000000, -0.0000469500000000 ] - [ -0.0001933600000000, -0.0000967400000000, 0.0000262500000000 ] - [ 0.0000188300000000, 0.0000460600000000, -0.0000653600000000 ] - [ 0.0001389700000000, 0.0001132700000000, 0.0002177400000000 ] - [ 0.0001306000000000, 0.0000710700000000, 0.0000205300000000 ] - [ 0.0000644900000000, 0.0000581800000000, -0.0000356600000000 ] - [ 0.0002471000000000, -0.0001526000000000, 0.0000657000000000 ] - [ 0.0000064500000000, -0.0001073900000000, 0.0000526300000000 ] - [ 0.0002483700000000, -0.0000343500000000, -0.0000011400000000 ] - [ 0.0000723200000000, -0.0001057500000000, 0.0000179700000000 ] - [ -0.0000918900000000, -0.0000320200000000, -0.0001319900000000 ] - [ -0.0003003800000000, 0.0001110800000000, -0.0000401800000000 ] - [ -0.0001074300000000, 0.0000227700000000, -0.0000487000000000 ] - [ -0.0001117900000000, 0.0000843300000000, 0.0000604900000000 ] - [ 0.0000326400000000, 0.0000629100000000, -0.0000237100000000 ] - [ -0.0000454900000000, -0.0000738800000000, -0.0000309400000000 ] - [ -0.0000750900000000, -0.0000280100000000, -0.0000182400000000 ] - [ -0.0000878100000000, 0.0000167900000000, 0.0000038300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003822300000000, 0.0005555200000000, 0.0000814500000000 ] - [ -0.0001053400000000, -0.0006410000000000, 0.0004202700000000 ] - [ -0.0000384300000000, 0.0001298300000000, 0.0000490000000000 ] - [ 0.0003202300000000, 0.0003244000000000, -0.0001960300000000 ] - [ 0.0005478100000000, -0.0006656000000000, 0.0002997200000000 ] - [ -0.0001495200000000, -0.0001659500000000, -0.0005869900000000 ] - [ 0.0001278100000000, -0.0002771100000000, -0.0000659000000000 ] - [ 0.0002758800000000, -0.0006496000000000, 0.0001059200000000 ] - [ 0.0012922000000000, -0.0012827800000000, -0.0010235700000000 ] - [ -0.0001905900000000, -0.0000786700000000, 0.0015585900000000 ] - [ 0.0002824100000000, 0.0000369900000000, 0.0002146100000000 ] - [ 0.0004319900000000, -0.0007693300000000, -0.0007005900000000 ] - [ 0.0004899900000000, -0.0005105400000000, 0.0002519000000000 ] - [ -0.0002259300000000, -0.0001160600000000, 0.0004663100000000 ] - [ -0.0002981700000000, -0.0000020100000000, 0.0003456300000000 ] - [ -0.0001428500000000, -0.0004198600000000, -0.0000272800000000 ] - [ 0.0249204300000000, -0.0217927100000000, 0.0342776800000000 ] - [ -0.0007146200000000, -0.0007516200000000, -0.0002684900000000 ] - [ -0.0002979400000000, -0.0006092300000000, -0.0000697500000000 ] - [ -0.0002986600000000, 0.0003818200000000, -0.0001786400000000 ] - [ -0.0221419100000000, 0.0186458800000000, 0.0308513100000000 ] - [ 0.0001593100000000, -0.0007258500000000, 0.0009675900000000 ] - [ 0.0001946400000000, 0.0010733700000000, 0.0000961800000000 ] - [ 0.0003560200000000, 0.0001708700000000, 0.0001091000000000 ] - [ -0.0020032200000000, -0.0029089100000000, -0.0011604100000000 ] - [ 0.0001035900000000, 0.0011583900000000, -0.0001298500000000 ] - [ -0.0000672900000000, 0.0009985800000000, -0.0000305500000000 ] - [ -0.0002390100000000, -0.0013890700000000, -0.0001116000000000 ] - [ 0.0226458600000000, 0.0266848400000000, 0.0333052900000000 ] - [ -0.0005983200000000, 0.0005656000000000, -0.0008297000000000 ] - [ -0.0000954700000000, -0.0001662800000000, 0.0000695800000000 ] - [ -0.0001626800000000, 0.0004903900000000, -0.0002684900000000 ] - [ -0.0002184300000000, 0.0001778400000000, -0.0004931900000000 ] - [ 0.0000357200000000, 0.0006340800000000, 0.0000379100000000 ] - [ 0.0001159000000000, 0.0000263300000000, 0.0000339000000000 ] - [ -0.0003112200000000, 0.0001928200000000, 0.0000403500000000 ] - [ 0.0012041900000000, 0.0022921000000000, 0.0004991400000000 ] - [ 0.0003102700000000, 0.0001277800000000, -0.0001252100000000 ] - [ -0.0000149700000000, 0.0002031200000000, -0.0003594100000000 ] - [ 0.0001866500000000, 0.0007220700000000, 0.0003265200000000 ] - [ -0.0000868500000000, -0.0001966100000000, -0.0002261900000000 ] - [ 0.0002153400000000, 0.0007308000000000, -0.0006086300000000 ] - [ 0.0000754700000000, 0.0004109600000000, -0.0002657400000000 ] - [ 0.0001879500000000, 0.0001008000000000, 0.0001963600000000 ] - [ -0.0004421100000000, 0.0003133700000000, 0.0003431800000000 ] - [ -0.0002588100000000, 0.0001984100000000, -0.0002581800000000 ] - [ -0.0001007300000000, 0.0000067900000000, -0.0000771000000000 ] - [ 0.0000138500000000, -0.0000718400000000, 0.0003400700000000 ] - [ -0.0296735800000000, -0.0278545900000000, -0.1024562300000000 ] - [ 0.0002639000000000, -0.0002607300000000, -0.0006976000000000 ] - [ -0.0002903200000000, 0.0000444500000000, -0.0002923700000000 ] - [ -0.0000367700000000, -0.0003278100000000, 0.0002740200000000 ] - [ 0.0010595800000000, -0.0008821100000000, -0.0011962300000000 ] - [ -0.0006094800000000, 0.0003492100000000, -0.0002554200000000 ] - [ -0.0002342800000000, 0.0001413700000000, 0.0001553500000000 ] - [ -0.0001791900000000, 0.0002014100000000, 0.0003199400000000 ] - [ 0.0000616200000000, 0.0011455500000000, 0.0013544600000000 ] - [ 0.0046350100000000, 0.0009189800000000, -0.0007976500000000 ] - [ 0.0002790500000000, -0.0003064300000000, 0.0001165700000000 ] - [ 0.0003124100000000, -0.0000447100000000, 0.0002387900000000 ] - [ 0.0007738700000000, 0.0004285100000000, -0.0008467000000000 ] - [ -0.0000358900000000, -0.0005096100000000, -0.0022160800000000 ] - [ 0.0002703900000000, 0.0003386300000000, -0.0001608000000000 ] - [ 0.0003013900000000, 0.0000452700000000, 0.0000174400000000 ] - [ 0.0002694200000000, 0.0002494700000000, 0.0000873900000000 ] - [ 0.0004286300000000, -0.0000356600000000, 0.0008893000000000 ] - [ 0.0002247400000000, 0.0002078500000000, 0.0002789600000000 ] - [ 0.0001369200000000, 0.0000864500000000, -0.0003520000000000 ] - [ 0.0000859200000000, -0.0004281800000000, -0.0006318800000000 ] - [ 0.0002518100000000, 0.0002011300000000, -0.0007997100000000 ] - [ 0.0001242000000000, -0.0001449800000000, -0.0003395200000000 ] - [ 0.0001517700000000, -0.0002605400000000, -0.0000236300000000 ] - [ -0.0004286800000000, 0.0002198200000000, -0.0001566800000000 ] - [ -0.0001573600000000, 0.0000471500000000, -0.0001283600000000 ] - [ -0.0000155100000000, 0.0000267100000000, -0.0001248500000000 ] - [ -0.0002273300000000, 0.0002730000000000, -0.0002248500000000 ] - [ -0.0002865100000000, -0.0002322800000000, 0.0014957000000000 ] - [ -0.0000752900000000, -0.0004989700000000, 0.0002787700000000 ] - [ -0.0000848800000000, -0.0002106000000000, -0.0000699800000000 ] - [ 0.0000200000000000, -0.0001127800000000, 0.0002086500000000 ] - [ -0.0002460900000000, 0.0000149600000000, -0.0000936000000000 ] - [ -0.0001239100000000, -0.0001551400000000, -0.0006818300000000 ] - [ -0.0002514300000000, 0.0000954900000000, -0.0006910600000000 ] - [ -0.0001732100000000, -0.0002595000000000, -0.0000493400000000 ] - [ -0.0001624200000000, -0.0000029600000000, 0.0011401100000000 ] - [ 0.0000514500000000, 0.0001194100000000, 0.0011019500000000 ] - [ -0.0000982000000000, 0.0000609700000000, 0.0004801500000000 ] - [ -0.0001034200000000, 0.0002911600000000, 0.0004796400000000 ] - [ 0.0000388500000000, -0.0001631400000000, 0.0004540100000000 ] - [ 0.0002765300000000, -0.0000920500000000, 0.0004624500000000 ] - [ 0.0001955300000000, -0.0001434000000000, 0.0004732200000000 ] - [ 0.0000918400000000, -0.0001290200000000, 0.0004017300000000 ] - [ -0.0002090200000000, 0.0002261300000000, -0.0001761700000000 ] - [ -0.0001697100000000, 0.0003203700000000, -0.0002675300000000 ] - [ 0.0000075100000000, 0.0002352800000000, -0.0002590800000000 ] - [ -0.0000324400000000, 0.0000636000000000, -0.0003504400000000 ] - [ -0.0011185800000000, 0.0053780300000000, -0.0004855200000000 ] - [ 0.0003566800000000, 0.0000339100000000, 0.0001906400000000 ] - [ 0.0002106400000000, -0.0000754900000000, 0.0008670900000000 ] - [ -0.0000853500000000, 0.0000381700000000, 0.0003789400000000 ] - [ -0.0003481800000000, -0.0001206700000000, -0.0000013400000000 ] - [ 0.0002050400000000, -0.0003273600000000, -0.0007360800000000 ] - [ -0.0001916600000000, -0.0004236700000000, 0.0000212800000000 ] - [ 0.0002709200000000, 0.0001311500000000, -0.0007659800000000 ] - [ 0.0002236900000000, -0.0007671900000000, -0.0013304400000000 ] - [ 0.0000081600000000, -0.0001397000000000, -0.0013978700000000 ] - [ -0.0002536700000000, -0.0000448000000000, -0.0007603200000000 ] - [ -0.0001248200000000, 0.0000711100000000, -0.0008240600000000 ] - [ -0.0003321400000000, 0.0001191200000000, 0.0011486300000000 ] - [ 0.0000214300000000, -0.0003393300000000, 0.0002119200000000 ] - [ -0.0001136600000000, 0.0004206500000000, 0.0001718800000000 ] - [ -0.0004295500000000, -0.0002347400000000, 0.0012005000000000 ] - [ -0.0000815000000000, -0.0025723300000000, 0.0018362300000000 ] - [ 0.0000782400000000, 0.0002594800000000, -0.0000477000000000 ] - [ 0.0000547800000000, 0.0000756100000000, 0.0000481900000000 ] - [ 0.0000683600000000, 0.0000636900000000, -0.0000217200000000 ] - [ 0.0027121200000000, -0.0000374200000000, 0.0022656700000000 ] - [ -0.0025028100000000, -0.0000080900000000, 0.0020105000000000 ] - [ 0.0001015000000000, -0.0000501000000000, -0.0000632300000000 ] - [ 0.0001017600000000, 0.0000393300000000, 0.0000615100000000 ] - [ 0.0000649000000000, 0.0020962300000000, 0.0015880200000000 ] - [ -0.0001170600000000, -0.0002142800000000, 0.0000248800000000 ] - [ -0.0001884400000000, -0.0000003800000000, 0.0000538900000000 ] - [ 0.0000647300000000, -0.0000664000000000, -0.0001417900000000 ] - [ -0.0001399400000000, -0.0001151300000000, -0.0000069000000000 ] - [ -0.0000492100000000, -0.0001928900000000, -0.0001778000000000 ] - [ -0.0002937100000000, 0.0000970800000000, -0.0001039100000000 ] - [ 0.0001590100000000, 0.0001609500000000, 0.0000302100000000 ] - [ -0.0001952800000000, -0.0001347000000000, 0.0000272500000000 ] - [ 0.0003471300000000, -0.0002442500000000, 0.0002345000000000 ] - [ 0.0000915600000000, 0.0000050200000000, 0.0001282400000000 ] - [ 0.0000015900000000, -0.0001224900000000, -0.0000554800000000 ] - [ 0.0002086900000000, -0.0001388000000000, 0.0000456200000000 ] - [ -0.0000415700000000, 0.0000128000000000, 0.0000929600000000 ] - [ -0.0000201000000000, 0.0000214200000000, -0.0000168900000000 ] - [ 0.0002114500000000, -0.0000010000000000, 0.0000109600000000 ] - [ -0.0004536600000000, 0.0001933900000000, 0.0001188100000000 ] - [ -0.0000133400000000, 0.0003231900000000, 0.0000811600000000 ] - [ -0.0000936100000000, 0.0000716900000000, -0.0001102200000000 ] - [ -0.0000856000000000, 0.0001247100000000, 0.0000754100000000 ] - [ -0.0000105800000000, 0.0001932900000000, 0.0005160500000000 ] - [ -0.0002360600000000, -0.0000272900000000, 0.0000119100000000 ] - [ -0.0000757300000000, 0.0000048400000000, -0.0001030000000000 ] - [ -0.0000467000000000, 0.0000033700000000, 0.0001023000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004186200000000, -0.0009347200000000, -0.0001055000000000 ] - [ 0.0001643100000000, 0.0003761100000000, -0.0003908300000000 ] - [ 0.0000360900000000, -0.0005055500000000, -0.0000526300000000 ] - [ -0.0003183500000000, -0.0006769900000000, 0.0002332200000000 ] - [ -0.0005044600000000, 0.0009793100000000, -0.0003021600000000 ] - [ 0.0001118900000000, 0.0004451400000000, 0.0005749100000000 ] - [ -0.0001370700000000, 0.0005839900000000, 0.0000961800000000 ] - [ -0.0002594100000000, 0.0009330700000000, -0.0001640800000000 ] - [ -0.0013189600000000, 0.0016435100000000, 0.0010142200000000 ] - [ 0.0001865600000000, 0.0004068500000000, -0.0015082100000000 ] - [ -0.0003309000000000, 0.0001845700000000, -0.0002117400000000 ] - [ -0.0004184800000000, 0.0011073900000000, 0.0006923900000000 ] - [ -0.0004934700000000, 0.0003452300000000, -0.0002712400000000 ] - [ 0.0002197000000000, 0.0001056200000000, -0.0004525700000000 ] - [ 0.0003128600000000, -0.0000424500000000, -0.0003845700000000 ] - [ 0.0001343000000000, 0.0003417200000000, 0.0000501900000000 ] - [ -0.0256242800000000, 0.0222529100000000, -0.0346615600000000 ] - [ 0.0007439600000000, 0.0006692000000000, 0.0002462000000000 ] - [ 0.0002911500000000, 0.0006029600000000, 0.0000589700000000 ] - [ 0.0003144200000000, -0.0003426500000000, 0.0001911300000000 ] - [ 0.0227691200000000, -0.0195974400000000, -0.0311501100000000 ] - [ -0.0001725500000000, 0.0003598800000000, -0.0010000600000000 ] - [ -0.0002372200000000, -0.0013999700000000, -0.0000731200000000 ] - [ -0.0003130600000000, -0.0004485900000000, -0.0001062200000000 ] - [ 0.0019163400000000, 0.0026146900000000, 0.0011649200000000 ] - [ -0.0000440700000000, -0.0014742100000000, 0.0001072800000000 ] - [ 0.0000436100000000, -0.0013444300000000, 0.0000176300000000 ] - [ 0.0002837100000000, 0.0010135200000000, 0.0001361400000000 ] - [ -0.0233412600000000, -0.0270739600000000, -0.0338903700000000 ] - [ 0.0006901800000000, -0.0002245100000000, 0.0008035600000000 ] - [ 0.0000583400000000, 0.0005367700000000, -0.0001022000000000 ] - [ 0.0001942500000000, -0.0001309100000000, 0.0002726800000000 ] - [ 0.0002659500000000, 0.0002517600000000, 0.0005123700000000 ] - [ -0.0000925200000000, -0.0002882600000000, -0.0000660100000000 ] - [ -0.0000725500000000, 0.0003872200000000, -0.0000487000000000 ] - [ 0.0002621100000000, 0.0001307200000000, -0.0000556300000000 ] - [ -0.0011773900000000, -0.0022756100000000, -0.0005461200000000 ] - [ -0.0003083800000000, -0.0001506600000000, 0.0001168100000000 ] - [ 0.0000035500000000, -0.0001814100000000, 0.0003590600000000 ] - [ -0.0001745300000000, -0.0007409400000000, -0.0003363400000000 ] - [ 0.0000869900000000, 0.0002980400000000, 0.0002529500000000 ] - [ -0.0002080000000000, -0.0007429300000000, 0.0006107200000000 ] - [ -0.0000736500000000, -0.0002883800000000, 0.0002905800000000 ] - [ -0.0001918000000000, -0.0000304200000000, -0.0002183000000000 ] - [ 0.0004464600000000, -0.0006540300000000, -0.0003458100000000 ] - [ 0.0002511300000000, -0.0005375900000000, 0.0002876800000000 ] - [ 0.0000937900000000, -0.0003880900000000, 0.0000843600000000 ] - [ -0.0000227900000000, -0.0001672300000000, -0.0003310700000000 ] - [ 0.0305081200000000, 0.0284194500000000, 0.1030881300000000 ] - [ -0.0004412800000000, -0.0000745000000000, 0.0001521000000000 ] - [ 0.0001466600000000, -0.0003868900000000, -0.0002678100000000 ] - [ -0.0000873900000000, 0.0000180200000000, -0.0008833500000000 ] - [ -0.0012115600000000, 0.0012182700000000, 0.0017429500000000 ] - [ 0.0005206300000000, -0.0000397500000000, 0.0008392200000000 ] - [ 0.0000880900000000, 0.0002003500000000, 0.0004201900000000 ] - [ 0.0000318400000000, 0.0001340900000000, 0.0002993000000000 ] - [ 0.0001074600000000, -0.0014768900000000, -0.0008047700000000 ] - [ -0.0046179700000000, -0.0012001000000000, 0.0013184300000000 ] - [ -0.0001463800000000, 0.0000130100000000, 0.0004394400000000 ] - [ -0.0001746900000000, -0.0003117300000000, 0.0003789800000000 ] - [ -0.0006717300000000, -0.0001347500000000, 0.0003309100000000 ] - [ 0.0001045500000000, 0.0009591600000000, 0.0015642600000000 ] - [ -0.0001186100000000, -0.0000129000000000, -0.0004534700000000 ] - [ -0.0001582400000000, 0.0003112600000000, -0.0006141000000000 ] - [ -0.0001310000000000, 0.0000942400000000, 0.0004622300000000 ] - [ -0.0002938800000000, 0.0003392000000000, -0.0003400000000000 ] - [ -0.0001271700000000, 0.0001210700000000, 0.0002226500000000 ] - [ -0.0000074500000000, 0.0002265100000000, 0.0009706500000000 ] - [ 0.0000329800000000, 0.0000468000000000, 0.0000185600000000 ] - [ -0.0000668800000000, -0.0005695800000000, 0.0001555900000000 ] - [ -0.0000655700000000, -0.0002539900000000, -0.0002960800000000 ] - [ -0.0000242200000000, -0.0000923100000000, -0.0006121800000000 ] - [ 0.0002979400000000, 0.0000783800000000, -0.0004066800000000 ] - [ 0.0000179100000000, 0.0002963100000000, -0.0004136600000000 ] - [ -0.0001221900000000, 0.0002917300000000, -0.0004481000000000 ] - [ 0.0001393400000000, 0.0000643300000000, -0.0002902800000000 ] - [ 0.0001118900000000, -0.0001588900000000, -0.0007612600000000 ] - [ -0.0000668900000000, 0.0001407500000000, 0.0002819800000000 ] - [ -0.0000165200000000, -0.0001765400000000, 0.0007666900000000 ] - [ -0.0001042000000000, -0.0002531200000000, 0.0003633200000000 ] - [ 0.0001359700000000, -0.0003545500000000, -0.0004931800000000 ] - [ -0.0000030100000000, -0.0001562500000000, 0.0001712900000000 ] - [ 0.0001109700000000, -0.0004232900000000, 0.0001519600000000 ] - [ 0.0000617400000000, -0.0000869900000000, -0.0004880100000000 ] - [ 0.0000419800000000, 0.0003875500000000, -0.0004994500000000 ] - [ -0.0001120900000000, 0.0002708700000000, -0.0004828800000000 ] - [ -0.0000599200000000, 0.0003402600000000, 0.0001492000000000 ] - [ -0.0000161800000000, 0.0000797400000000, 0.0001307700000000 ] - [ 0.0001002100000000, -0.0001505800000000, 0.0000736100000000 ] - [ -0.0001750800000000, -0.0002436200000000, 0.0001015600000000 ] - [ -0.0000621800000000, -0.0001898200000000, 0.0000796100000000 ] - [ 0.0000250100000000, -0.0002252100000000, 0.0001036300000000 ] - [ 0.0003165900000000, 0.0001720700000000, -0.0005316400000000 ] - [ 0.0002399000000000, 0.0000549100000000, -0.0002956700000000 ] - [ 0.0001454700000000, 0.0001711200000000, -0.0003880500000000 ] - [ 0.0001597600000000, 0.0003025300000000, -0.0002476400000000 ] - [ 0.0011243100000000, -0.0051365500000000, 0.0010116600000000 ] - [ -0.0002643800000000, 0.0003097600000000, 0.0004224500000000 ] - [ -0.0000883100000000, 0.0003979100000000, -0.0002655400000000 ] - [ 0.0002185100000000, 0.0003235700000000, 0.0001781400000000 ] - [ 0.0004791600000000, -0.0002078200000000, -0.0005995000000000 ] - [ -0.0000542300000000, -0.0000483700000000, 0.0001888700000000 ] - [ 0.0002754400000000, 0.0000423300000000, -0.0005838000000000 ] - [ -0.0001413300000000, -0.0004827800000000, 0.0001798600000000 ] - [ -0.0002809000000000, 0.0011177400000000, 0.0008039500000000 ] - [ -0.0001201500000000, 0.0005001200000000, 0.0008140500000000 ] - [ 0.0001080500000000, 0.0003441100000000, 0.0002075400000000 ] - [ 0.0000163100000000, 0.0003152600000000, 0.0002225800000000 ] - [ 0.0001767300000000, -0.0004065900000000, -0.0006193500000000 ] - [ -0.0001369500000000, -0.0000535900000000, 0.0004052600000000 ] - [ 0.0000178100000000, -0.0007878700000000, 0.0003749300000000 ] - [ 0.0003050700000000, -0.0001245200000000, -0.0005910500000000 ] - [ 0.0002812200000000, 0.0025805300000000, -0.0017377700000000 ] - [ 0.0001167900000000, -0.0001705300000000, 0.0000265600000000 ] - [ 0.0001641500000000, 0.0000127000000000, -0.0000381200000000 ] - [ 0.0001362300000000, 0.0000280300000000, 0.0000429900000000 ] - [ -0.0024056700000000, -0.0000351900000000, -0.0022127600000000 ] - [ 0.0026110400000000, -0.0000716200000000, -0.0019259400000000 ] - [ 0.0000959800000000, -0.0000318000000000, 0.0000744900000000 ] - [ 0.0001090100000000, -0.0001147700000000, -0.0000583800000000 ] - [ -0.0002692400000000, -0.0019434500000000, -0.0015327400000000 ] - [ -0.0000840900000000, 0.0002780400000000, -0.0000254100000000 ] - [ -0.0000197100000000, 0.0000611700000000, -0.0000545600000000 ] - [ -0.0002698100000000, 0.0001369200000000, 0.0001141800000000 ] - [ -0.0000709000000000, 0.0000504000000000, 0.0000193400000000 ] - [ -0.0001577700000000, 0.0001071100000000, 0.0001600300000000 ] - [ 0.0000944300000000, -0.0001739300000000, 0.0001195700000000 ] - [ -0.0003677800000000, -0.0002459300000000, -0.0000546700000000 ] - [ 0.0004056400000000, 0.0002019500000000, -0.0000478100000000 ] - [ -0.0001468700000000, 0.0003015500000000, -0.0002090800000000 ] - [ 0.0001105000000000, 0.0000595600000000, -0.0001052000000000 ] - [ 0.0002142800000000, 0.0001919300000000, 0.0000596500000000 ] - [ 0.0000033500000000, 0.0000747700000000, -0.0000269200000000 ] - [ 0.0002490400000000, -0.0000948600000000, -0.0001075400000000 ] - [ 0.0002192700000000, -0.0001033800000000, -0.0000006900000000 ] - [ -0.0000084000000000, -0.0000773000000000, 0.0000152200000000 ] - [ 0.0002612700000000, -0.0001006900000000, -0.0001515000000000 ] - [ -0.0001822100000000, -0.0002268400000000, -0.0000710500000000 ] - [ -0.0001274600000000, 0.0000119900000000, 0.0000871500000000 ] - [ -0.0001163300000000, -0.0000277000000000, -0.0000832200000000 ] - [ -0.0002123900000000, -0.0002789900000000, -0.0005640000000000 ] - [ 0.0000288700000000, -0.0000461400000000, -0.0000046500000000 ] - [ -0.0001314000000000, -0.0000824300000000, 0.0000781300000000 ] - [ -0.0001559300000000, -0.0000818300000000, -0.0000933500000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000764100000000, -0.0001544200000000, -0.0003551500000000 ] - [ 0.0000679100000000, -0.0003322300000000, 0.0002785700000000 ] - [ -0.0000325300000000, -0.0000708200000000, 0.0000399900000000 ] - [ -0.0000177600000000, -0.0001601600000000, -0.0000108500000000 ] - [ -0.0000124000000000, -0.0001265700000000, 0.0000306800000000 ] - [ -0.0000636600000000, 0.0001420900000000, 0.0000007200000000 ] - [ -0.0002320700000000, 0.0002811400000000, 0.0001715200000000 ] - [ 0.0001417300000000, 0.0000519400000000, -0.0001663800000000 ] - [ -0.0000124000000000, -0.0001265700000000, -0.0000306800000000 ] - [ -0.0000636600000000, 0.0001420900000000, -0.0000007200000000 ] - [ -0.0002320700000000, 0.0002811400000000, -0.0001715200000000 ] - [ 0.0001417300000000, 0.0000519400000000, 0.0001663800000000 ] - [ 0.0001442200000000, -0.0003949600000000, -0.0002999000000000 ] - [ -0.0000407500000000, 0.0003482100000000, -0.0000885000000000 ] - [ 0.0000170800000000, -0.0000926600000000, -0.0000242400000000 ] - [ 0.0000394700000000, -0.0000449600000000, -0.0000023000000000 ] - [ 0.0001442200000000, -0.0003949600000000, 0.0002999000000000 ] - [ -0.0000407500000000, 0.0003482100000000, 0.0000885000000000 ] - [ 0.0000170800000000, -0.0000926600000000, 0.0000242400000000 ] - [ 0.0000394700000000, -0.0000449600000000, 0.0000023000000000 ] - [ 0.0000764100000000, -0.0001544200000000, 0.0003551500000000 ] - [ 0.0000679100000000, -0.0003322300000000, -0.0002785700000000 ] - [ -0.0000325300000000, -0.0000708200000000, -0.0000399900000000 ] - [ -0.0000177600000000, -0.0001601600000000, 0.0000108500000000 ] - [ 0.0000171400000000, -0.0000178300000000, -0.0001024300000000 ] - [ 0.0001253300000000, -0.0001809600000000, 0.0000907300000000 ] - [ 0.0000614200000000, -0.0004729400000000, 0.0001363500000000 ] - [ 0.0000439900000000, -0.0000699300000000, -0.0000405900000000 ] - [ -0.0000301500000000, 0.0004305600000000, 0.0000079000000000 ] - [ 0.0001738300000000, -0.0000769500000000, -0.0000715500000000 ] - [ 0.0000013500000000, 0.0001937300000000, 0.0000245700000000 ] - [ 0.0000371800000000, 0.0001488800000000, -0.0000056400000000 ] - [ -0.0000301500000000, 0.0004305600000000, -0.0000079000000000 ] - [ 0.0001738300000000, -0.0000769500000000, 0.0000715500000000 ] - [ 0.0000013500000000, 0.0001937300000000, -0.0000245700000000 ] - [ 0.0000371800000000, 0.0001488800000000, 0.0000056400000000 ] - [ 0.0000020400000000, -0.0003021000000000, -0.0002106500000000 ] - [ 0.0000872000000000, 0.0004397600000000, 0.0000030200000000 ] - [ -0.0000626700000000, 0.0000959800000000, -0.0001048300000000 ] - [ -0.0000015700000000, 0.0000155300000000, 0.0000640100000000 ] - [ 0.0000020400000000, -0.0003021000000000, 0.0002106500000000 ] - [ 0.0000872000000000, 0.0004397600000000, -0.0000030200000000 ] - [ -0.0000626700000000, 0.0000959800000000, 0.0001048300000000 ] - [ -0.0000015700000000, 0.0000155300000000, -0.0000640100000000 ] - [ 0.0000171400000000, -0.0000178300000000, 0.0001024300000000 ] - [ 0.0001253300000000, -0.0001809600000000, -0.0000907300000000 ] - [ 0.0000614200000000, -0.0004729400000000, -0.0001363500000000 ] - [ 0.0000439900000000, -0.0000699300000000, 0.0000405900000000 ] - [ -0.0001661000000000, -0.0003351000000000, -0.0004569500000000 ] - [ -0.0001821900000000, -0.0001254500000000, -0.0003051400000000 ] - [ -0.0000480700000000, -0.0002508800000000, -0.0003380600000000 ] - [ -0.0001016200000000, -0.0001632300000000, -0.0003276400000000 ] - [ -0.0001358200000000, 0.0003343500000000, 0.0001994500000000 ] - [ -0.0001123000000000, 0.0000794500000000, 0.0004287800000000 ] - [ -0.0000919600000000, 0.0003185100000000, 0.0003850000000000 ] - [ 0.0000403800000000, 0.0001469900000000, 0.0001905400000000 ] - [ 0.0000414800000000, -0.0001479900000000, -0.0000485400000000 ] - [ 0.0000254100000000, -0.0003825900000000, 0.0003463200000000 ] - [ 0.0000826800000000, -0.0001678700000000, 0.0003056500000000 ] - [ 0.0000241800000000, -0.0002231700000000, 0.0003038700000000 ] - [ 0.0000631200000000, 0.0000943300000000, -0.0002660400000000 ] - [ 0.0001340500000000, 0.0003470600000000, -0.0003378200000000 ] - [ -0.0000767900000000, 0.0002028600000000, -0.0000830800000000 ] - [ 0.0001178400000000, 0.0002881300000000, -0.0005508900000000 ] - [ 0.0000631200000000, 0.0000943300000000, 0.0002660400000000 ] - [ 0.0001340500000000, 0.0003470600000000, 0.0003378200000000 ] - [ -0.0000767900000000, 0.0002028600000000, 0.0000830800000000 ] - [ 0.0001178400000000, 0.0002881300000000, 0.0005508900000000 ] - [ 0.0000414800000000, -0.0001479900000000, 0.0000485400000000 ] - [ 0.0000254100000000, -0.0003825900000000, -0.0003463200000000 ] - [ 0.0000826800000000, -0.0001678700000000, -0.0003056500000000 ] - [ 0.0000241800000000, -0.0002231700000000, -0.0003038700000000 ] - [ -0.0001358200000000, 0.0003343500000000, -0.0001994500000000 ] - [ -0.0001123000000000, 0.0000794500000000, -0.0004287800000000 ] - [ -0.0000919600000000, 0.0003185100000000, -0.0003850000000000 ] - [ 0.0000403800000000, 0.0001469900000000, -0.0001905400000000 ] - [ -0.0001661000000000, -0.0003351000000000, 0.0004569500000000 ] - [ -0.0001821900000000, -0.0001254500000000, 0.0003051400000000 ] - [ -0.0000480700000000, -0.0002508800000000, 0.0003380600000000 ] - [ -0.0001016200000000, -0.0001632300000000, 0.0003276400000000 ] - [ -0.0001308000000000, -0.0001155300000000, -0.0003894800000000 ] - [ -0.0000889500000000, -0.0001869000000000, -0.0003129700000000 ] - [ 0.0000747900000000, -0.0001910000000000, -0.0000349800000000 ] - [ -0.0002016700000000, -0.0000854100000000, -0.0005923000000000 ] - [ 0.0047767100000000, 0.0002573700000000, 0.0029285900000000 ] - [ 0.0038444800000000, 0.0003438700000000, -0.0022291000000000 ] - [ -0.0000451900000000, 0.0000859000000000, 0.0002899900000000 ] - [ -0.0000560400000000, 0.0001591500000000, 0.0002986500000000 ] - [ 0.0000750900000000, -0.0001357700000000, 0.0002233900000000 ] - [ 0.0001484300000000, -0.0001557600000000, 0.0004464800000000 ] - [ -0.0000254200000000, 0.0003361600000000, 0.0004366500000000 ] - [ -0.0000044200000000, -0.0002743500000000, 0.0002824900000000 ] - [ -0.0001711100000000, 0.0000241000000000, -0.0003920200000000 ] - [ 0.0000881900000000, 0.0001129400000000, -0.0001636900000000 ] - [ 0.0000783000000000, 0.0001230600000000, -0.0003195400000000 ] - [ 0.0000707400000000, 0.0001430800000000, -0.0003501400000000 ] - [ -0.0001711100000000, 0.0000241000000000, 0.0003920200000000 ] - [ 0.0000881900000000, 0.0001129400000000, 0.0001636900000000 ] - [ 0.0000783000000000, 0.0001230600000000, 0.0003195400000000 ] - [ 0.0000707400000000, 0.0001430800000000, 0.0003501400000000 ] - [ 0.0000750900000000, -0.0001357700000000, -0.0002233900000000 ] - [ 0.0001484300000000, -0.0001557600000000, -0.0004464800000000 ] - [ -0.0000254200000000, 0.0003361600000000, -0.0004366500000000 ] - [ -0.0000044200000000, -0.0002743500000000, -0.0002824900000000 ] - [ 0.0047767100000000, 0.0002573700000000, -0.0029285900000000 ] - [ 0.0038444800000000, 0.0003438700000000, 0.0022291000000000 ] - [ -0.0000451900000000, 0.0000859000000000, -0.0002899900000000 ] - [ -0.0000560400000000, 0.0001591500000000, -0.0002986500000000 ] - [ -0.0001308000000000, -0.0001155300000000, 0.0003894800000000 ] - [ -0.0000889500000000, -0.0001869000000000, 0.0003129700000000 ] - [ 0.0000747900000000, -0.0001910000000000, 0.0000349800000000 ] - [ -0.0002016700000000, -0.0000854100000000, 0.0005923000000000 ] - [ -0.0237982900000000, 0.0000572500000000, 0.0000000000000000 ] - [ 0.0004768600000000, 0.0000408700000000, 0.0000000000000000 ] - [ 0.0001341200000000, 0.0000229100000000, 0.0000000000000000 ] - [ 0.0001064100000000, 0.0000590400000000, 0.0000000000000000 ] - [ 0.0016958700000000, 0.0021075200000000, 0.0000000000000000 ] - [ 0.0016610300000000, -0.0023289500000000, 0.0000000000000000 ] - [ 0.0000890600000000, -0.0000368600000000, 0.0000000000000000 ] - [ 0.0000701400000000, -0.0000736500000000, 0.0000000000000000 ] - [ -0.0001029200000000, -0.0000061400000000, 0.0000000000000000 ] - [ -0.0000313600000000, 0.0000766800000000, 0.0000000000000000 ] - [ -0.0000975600000000, 0.0000785900000000, 0.0000000000000000 ] - [ -0.0000328500000000, 0.0000632500000000, 0.0000000000000000 ] - [ -0.0001651600000000, -0.0000290900000000, 0.0000000000000000 ] - [ -0.0000515500000000, -0.0000008900000000, 0.0000000000000000 ] - [ 0.0015749900000000, -0.0022744100000000, 0.0000000000000000 ] - [ 0.0013213300000000, 0.0020650900000000, 0.0000000000000000 ] - [ 0.0000388700000000, 0.0000377100000000, 0.0000000000000000 ] - [ 0.0001257600000000, -0.0000024400000000, 0.0000000000000000 ] - [ 0.0001422600000000, 0.0000773300000000, 0.0000000000000000 ] - [ 0.0000187800000000, 0.0000460900000000, 0.0000000000000000 ] - [ 0.0000955900000000, -0.0000069800000000, 0.0000000000000000 ] - [ 0.0001282100000000, -0.0000286700000000, 0.0000000000000000 ] - [ 0.0002875500000000, -0.0000413100000000, 0.0000000000000000 ] - [ 0.0000044900000000, 0.0000411000000000, 0.0000000000000000 ] - [ 0.0000625300000000, -0.0000193300000000, 0.0000000000000000 ] - [ -0.0003513700000000, 0.0000933500000000, 0.0000000000000000 ] - [ -0.0001091700000000, 0.0000458100000000, 0.0000000000000000 ] - [ -0.0001218900000000, 0.0000307700000000, 0.0000000000000000 ] - [ 0.0000363500000000, -0.0000677800000000, 0.0000000000000000 ] - [ -0.0002178100000000, -0.0001250000000000, 0.0000000000000000 ] - [ -0.0000648400000000, -0.0000753300000000, 0.0000000000000000 ] - [ -0.0001057000000000, -0.0000398400000000, 0.0000000000000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000517300000000, -0.0001898100000000, 0.0003583300000000 ] - [ -0.0000893800000000, 0.0000459900000000, -0.0002787200000000 ] - [ 0.0000253400000000, -0.0002674800000000, -0.0000338900000000 ] - [ 0.0000261000000000, -0.0001754600000000, 0.0000039000000000 ] - [ -0.0000011700000000, 0.0004583900000000, -0.0000382400000000 ] - [ 0.0000775000000000, 0.0001856900000000, 0.0000068800000000 ] - [ 0.0002356700000000, 0.0000481100000000, -0.0001813200000000 ] - [ -0.0001461400000000, 0.0002533400000000, 0.0001759300000000 ] - [ -0.0000011700000000, 0.0004583900000000, 0.0000382400000000 ] - [ 0.0000775000000000, 0.0001856900000000, -0.0000068800000000 ] - [ 0.0002356700000000, 0.0000481100000000, 0.0001813200000000 ] - [ -0.0001461400000000, 0.0002533400000000, -0.0001759300000000 ] - [ -0.0001376100000000, 0.0004143900000000, 0.0002931100000000 ] - [ 0.0000351800000000, -0.0003650200000000, 0.0000968800000000 ] - [ -0.0000163000000000, 0.0000776700000000, 0.0000183800000000 ] - [ -0.0000400900000000, 0.0000481000000000, 0.0000088400000000 ] - [ -0.0001376100000000, 0.0004143900000000, -0.0002931100000000 ] - [ 0.0000351800000000, -0.0003650200000000, -0.0000968800000000 ] - [ -0.0000163000000000, 0.0000776700000000, -0.0000183800000000 ] - [ -0.0000400900000000, 0.0000481000000000, -0.0000088400000000 ] - [ -0.0000517300000000, -0.0001898100000000, -0.0003583300000000 ] - [ -0.0000893800000000, 0.0000459900000000, 0.0002787200000000 ] - [ 0.0000253400000000, -0.0002674800000000, 0.0000338900000000 ] - [ 0.0000261000000000, -0.0001754600000000, -0.0000039000000000 ] - [ -0.0000005700000000, -0.0003586200000000, 0.0001054500000000 ] - [ -0.0001426700000000, -0.0002032300000000, -0.0000931100000000 ] - [ -0.0000767500000000, 0.0001286900000000, -0.0001214300000000 ] - [ -0.0000281400000000, -0.0002984300000000, 0.0000270000000000 ] - [ 0.0000455700000000, -0.0000646400000000, -0.0000306300000000 ] - [ -0.0001909700000000, 0.0004522900000000, 0.0000903400000000 ] - [ -0.0000105800000000, 0.0001694100000000, -0.0000232300000000 ] - [ -0.0000281600000000, 0.0002275900000000, 0.0000041000000000 ] - [ 0.0000455700000000, -0.0000646400000000, 0.0000306300000000 ] - [ -0.0001909700000000, 0.0004522900000000, -0.0000903400000000 ] - [ -0.0000105800000000, 0.0001694100000000, 0.0000232300000000 ] - [ -0.0000281600000000, 0.0002275900000000, -0.0000041000000000 ] - [ 0.0000019100000000, 0.0003346900000000, 0.0002190200000000 ] - [ -0.0000960800000000, -0.0004615100000000, -0.0000090300000000 ] - [ 0.0000626200000000, -0.0001090400000000, 0.0001119200000000 ] - [ 0.0000013800000000, -0.0000098000000000, -0.0000697700000000 ] - [ 0.0000019100000000, 0.0003346900000000, -0.0002190200000000 ] - [ -0.0000960800000000, -0.0004615100000000, 0.0000090300000000 ] - [ 0.0000626200000000, -0.0001090400000000, -0.0001119200000000 ] - [ 0.0000013800000000, -0.0000098000000000, 0.0000697700000000 ] - [ -0.0000005700000000, -0.0003586200000000, -0.0001054500000000 ] - [ -0.0001426700000000, -0.0002032300000000, 0.0000931100000000 ] - [ -0.0000767500000000, 0.0001286900000000, 0.0001214300000000 ] - [ -0.0000281400000000, -0.0002984300000000, -0.0000270000000000 ] - [ 0.0000485600000000, -0.0000344100000000, -0.0001253200000000 ] - [ 0.0000316900000000, -0.0002063400000000, -0.0002842300000000 ] - [ -0.0000815600000000, -0.0000960700000000, -0.0002528500000000 ] - [ -0.0000310600000000, -0.0001766000000000, -0.0002672000000000 ] - [ 0.0000035400000000, 0.0000224900000000, 0.0004062600000000 ] - [ -0.0000193500000000, 0.0002476000000000, 0.0001554600000000 ] - [ -0.0000355600000000, 0.0000192900000000, 0.0001935900000000 ] - [ -0.0001757500000000, 0.0001898200000000, 0.0004152700000000 ] - [ 0.0000961300000000, -0.0001914400000000, 0.0006663800000000 ] - [ 0.0001049100000000, 0.0000487200000000, 0.0002267500000000 ] - [ 0.0000523000000000, -0.0001703200000000, 0.0002810600000000 ] - [ 0.0001037800000000, -0.0001251800000000, 0.0002958600000000 ] - [ 0.0000681500000000, 0.0002364800000000, -0.0003328500000000 ] - [ -0.0000022500000000, 0.0000063900000000, -0.0002509300000000 ] - [ 0.0002108900000000, 0.0001310700000000, -0.0005007700000000 ] - [ 0.0000108900000000, 0.0000532500000000, -0.0000475500000000 ] - [ 0.0000681500000000, 0.0002364800000000, 0.0003328500000000 ] - [ -0.0000022500000000, 0.0000063900000000, 0.0002509300000000 ] - [ 0.0002108900000000, 0.0001310700000000, 0.0005007700000000 ] - [ 0.0000108900000000, 0.0000532500000000, 0.0000475500000000 ] - [ 0.0000961300000000, -0.0001914400000000, -0.0006663800000000 ] - [ 0.0001049100000000, 0.0000487200000000, -0.0002267500000000 ] - [ 0.0000523000000000, -0.0001703200000000, -0.0002810600000000 ] - [ 0.0001037800000000, -0.0001251800000000, -0.0002958600000000 ] - [ 0.0000035400000000, 0.0000224900000000, -0.0004062600000000 ] - [ -0.0000193500000000, 0.0002476000000000, -0.0001554600000000 ] - [ -0.0000355600000000, 0.0000192900000000, -0.0001935900000000 ] - [ -0.0001757500000000, 0.0001898200000000, -0.0004152700000000 ] - [ 0.0000485600000000, -0.0000344100000000, 0.0001253200000000 ] - [ 0.0000316900000000, -0.0002063400000000, 0.0002842300000000 ] - [ -0.0000815600000000, -0.0000960700000000, 0.0002528500000000 ] - [ -0.0000310600000000, -0.0001766000000000, 0.0002672000000000 ] - [ 0.0000002000000000, -0.0002386800000000, -0.0001982000000000 ] - [ -0.0000268600000000, -0.0001673900000000, -0.0002883700000000 ] - [ -0.0001992300000000, -0.0001532800000000, -0.0005511800000000 ] - [ 0.0000762600000000, -0.0002714300000000, 0.0000033200000000 ] - [ -0.0047734600000000, 0.0001158200000000, -0.0021963600000000 ] - [ -0.0040844800000000, 0.0000051500000000, 0.0029064600000000 ] - [ -0.0000707500000000, 0.0002617300000000, 0.0002985100000000 ] - [ -0.0000694800000000, 0.0001936600000000, 0.0003057200000000 ] - [ 0.0000502600000000, -0.0002257600000000, 0.0003927600000000 ] - [ -0.0000270600000000, -0.0001906900000000, 0.0001268800000000 ] - [ 0.0001557400000000, -0.0006557800000000, 0.0001321700000000 ] - [ 0.0001255700000000, -0.0000843300000000, 0.0003129800000000 ] - [ 0.0003056000000000, 0.0003287600000000, -0.0002008100000000 ] - [ 0.0000258500000000, 0.0002472900000000, -0.0004242000000000 ] - [ 0.0000431500000000, 0.0002222700000000, -0.0002757800000000 ] - [ 0.0000494400000000, 0.0002122800000000, -0.0002465400000000 ] - [ 0.0003056000000000, 0.0003287600000000, 0.0002008100000000 ] - [ 0.0000258500000000, 0.0002472900000000, 0.0004242000000000 ] - [ 0.0000431500000000, 0.0002222700000000, 0.0002757800000000 ] - [ 0.0000494400000000, 0.0002122800000000, 0.0002465400000000 ] - [ 0.0000502600000000, -0.0002257600000000, -0.0003927600000000 ] - [ -0.0000270600000000, -0.0001906900000000, -0.0001268800000000 ] - [ 0.0001557400000000, -0.0006557800000000, -0.0001321700000000 ] - [ 0.0001255700000000, -0.0000843300000000, -0.0003129800000000 ] - [ -0.0047734600000000, 0.0001158200000000, 0.0021963600000000 ] - [ -0.0040844800000000, 0.0000051500000000, -0.0029064600000000 ] - [ -0.0000707500000000, 0.0002617300000000, -0.0002985100000000 ] - [ -0.0000694800000000, 0.0001936600000000, -0.0003057200000000 ] - [ 0.0000002000000000, -0.0002386800000000, 0.0001982000000000 ] - [ -0.0000268600000000, -0.0001673900000000, 0.0002883700000000 ] - [ -0.0001992300000000, -0.0001532800000000, 0.0005511800000000 ] - [ 0.0000762600000000, -0.0002714300000000, -0.0000033200000000 ] - [ 0.0239855100000000, 0.0000209800000000, 0.0000000000000000 ] - [ -0.0002794500000000, 0.0000495100000000, 0.0000000000000000 ] - [ 0.0000745000000000, 0.0000587700000000, 0.0000000000000000 ] - [ 0.0000994300000000, 0.0000221200000000, 0.0000000000000000 ] - [ -0.0014709600000000, -0.0021552800000000, 0.0000000000000000 ] - [ -0.0014702600000000, 0.0022885400000000, 0.0000000000000000 ] - [ 0.0001223200000000, -0.0000331500000000, 0.0000000000000000 ] - [ 0.0001389100000000, -0.0000051800000000, 0.0000000000000000 ] - [ -0.0001047500000000, 0.0000858900000000, 0.0000000000000000 ] - [ -0.0001790300000000, -0.0000096900000000, 0.0000000000000000 ] - [ -0.0001074100000000, -0.0000075500000000, 0.0000000000000000 ] - [ -0.0001783100000000, 0.0000038800000000, 0.0000000000000000 ] - [ -0.0000432500000000, -0.0000507600000000, 0.0000000000000000 ] - [ -0.0001563300000000, -0.0000841800000000, 0.0000000000000000 ] - [ -0.0017703800000000, 0.0021678300000000, 0.0000000000000000 ] - [ -0.0015329800000000, -0.0021798800000000, 0.0000000000000000 ] - [ 0.0001713400000000, 0.0000316100000000, 0.0000000000000000 ] - [ 0.0000819200000000, 0.0000796200000000, 0.0000000000000000 ] - [ 0.0000681400000000, -0.0000115600000000, 0.0000000000000000 ] - [ 0.0001871600000000, 0.0000270600000000, 0.0000000000000000 ] - [ 0.0001133200000000, -0.0000780100000000, 0.0000000000000000 ] - [ 0.0000795600000000, -0.0000514600000000, 0.0000000000000000 ] - [ -0.0000796100000000, -0.0000346100000000, 0.0000000000000000 ] - [ 0.0001975200000000, -0.0001328400000000, 0.0000000000000000 ] - [ -0.0002724500000000, 0.0001059200000000, 0.0000000000000000 ] - [ 0.0001510700000000, -0.0000067100000000, 0.0000000000000000 ] - [ -0.0000970400000000, 0.0000344100000000, 0.0000000000000000 ] - [ -0.0000865700000000, 0.0000518300000000, 0.0000000000000000 ] - [ -0.0002414400000000, -0.0000076700000000, 0.0000000000000000 ] - [ 0.0000072500000000, 0.0000627400000000, 0.0000000000000000 ] - [ -0.0001416500000000, -0.0000009800000000, 0.0000000000000000 ] - [ -0.0001080500000000, -0.0000325700000000, 0.0000000000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001402600000000, -0.0005525900000000, -0.0000794000000000 ] - [ 0.0000129400000000, -0.0005581800000000, 0.0002367800000000 ] - [ 0.0000066700000000, -0.0003871100000000, 0.0000568200000000 ] - [ -0.0000526200000000, -0.0001850300000000, -0.0000249900000000 ] - [ -0.0000181300000000, 0.0001544700000000, 0.0000560300000000 ] - [ -0.0000086200000000, 0.0001074600000000, 0.0000539200000000 ] - [ -0.0001371000000000, -0.0002331800000000, -0.0000965300000000 ] - [ -0.0000598100000000, 0.0001548800000000, -0.0000864700000000 ] - [ -0.0000181300000000, 0.0001544700000000, -0.0000560300000000 ] - [ -0.0000086200000000, 0.0001074600000000, -0.0000539200000000 ] - [ -0.0001371000000000, -0.0002331800000000, 0.0000965300000000 ] - [ -0.0000598100000000, 0.0001548800000000, 0.0000864700000000 ] - [ -0.0001228400000000, -0.0000914700000000, 0.0000018100000000 ] - [ -0.0000138700000000, -0.0000650000000000, -0.0000166500000000 ] - [ 0.0000105500000000, -0.0001902400000000, -0.0000838200000000 ] - [ 0.0000182000000000, -0.0002690600000000, 0.0000328500000000 ] - [ -0.0001228400000000, -0.0000914700000000, -0.0000018100000000 ] - [ -0.0000138700000000, -0.0000650000000000, 0.0000166500000000 ] - [ 0.0000105500000000, -0.0001902400000000, 0.0000838200000000 ] - [ 0.0000182000000000, -0.0002690600000000, -0.0000328500000000 ] - [ 0.0001402600000000, -0.0005525900000000, 0.0000794000000000 ] - [ 0.0000129400000000, -0.0005581800000000, -0.0002367800000000 ] - [ 0.0000066700000000, -0.0003871100000000, -0.0000568200000000 ] - [ -0.0000526200000000, -0.0001850300000000, 0.0000249900000000 ] - [ -0.0000189400000000, -0.0002621600000000, 0.0000041300000000 ] - [ 0.0001344200000000, -0.0002025400000000, 0.0000027600000000 ] - [ 0.0002877900000000, 0.0004179400000000, -0.0001519600000000 ] - [ -0.0000447500000000, 0.0002244300000000, 0.0002817500000000 ] - [ -0.0001163300000000, 0.0008923000000000, 0.0001263900000000 ] - [ -0.0000268100000000, 0.0003598100000000, -0.0003090400000000 ] - [ -0.0000565400000000, 0.0001593600000000, -0.0000075700000000 ] - [ 0.0001278600000000, 0.0003023600000000, 0.0000558200000000 ] - [ -0.0001163300000000, 0.0008923000000000, -0.0001263900000000 ] - [ -0.0000268100000000, 0.0003598100000000, 0.0003090400000000 ] - [ -0.0000565400000000, 0.0001593600000000, 0.0000075700000000 ] - [ 0.0001278600000000, 0.0003023600000000, -0.0000558200000000 ] - [ -0.0003792500000000, 0.0002099500000000, -0.0000344500000000 ] - [ -0.0000647600000000, 0.0001357400000000, 0.0000079700000000 ] - [ -0.0000660300000000, 0.0002418600000000, -0.0000124200000000 ] - [ -0.0000315600000000, 0.0001060000000000, 0.0000145800000000 ] - [ -0.0003792500000000, 0.0002099500000000, 0.0000344500000000 ] - [ -0.0000647600000000, 0.0001357400000000, -0.0000079700000000 ] - [ -0.0000660300000000, 0.0002418600000000, 0.0000124200000000 ] - [ -0.0000315600000000, 0.0001060000000000, -0.0000145800000000 ] - [ -0.0000189400000000, -0.0002621600000000, -0.0000041300000000 ] - [ 0.0001344200000000, -0.0002025400000000, -0.0000027600000000 ] - [ 0.0002877900000000, 0.0004179400000000, 0.0001519600000000 ] - [ -0.0000447500000000, 0.0002244300000000, -0.0002817500000000 ] - [ -0.0000714400000000, 0.0042538800000000, -0.0029557200000000 ] - [ 0.0001332700000000, -0.0001717100000000, -0.0001030200000000 ] - [ 0.0000323100000000, -0.0001867400000000, -0.0002656900000000 ] - [ 0.0000050600000000, -0.0001898500000000, -0.0002985300000000 ] - [ -0.0000217000000000, 0.0003060900000000, 0.0001999800000000 ] - [ -0.0001136200000000, 0.0002302200000000, 0.0003679700000000 ] - [ -0.0002232100000000, 0.0001727100000000, 0.0003534800000000 ] - [ -0.0001083700000000, 0.0002249600000000, 0.0003423800000000 ] - [ 0.0000563600000000, -0.0001067700000000, 0.0001720900000000 ] - [ -0.0003057800000000, -0.0002574500000000, 0.0000413200000000 ] - [ -0.0000421500000000, -0.0001565600000000, 0.0002768000000000 ] - [ -0.0000327300000000, -0.0002133400000000, 0.0002295700000000 ] - [ 0.0000616200000000, 0.0001207500000000, -0.0002319100000000 ] - [ 0.0000825200000000, 0.0002336400000000, -0.0001558400000000 ] - [ 0.0002505700000000, 0.0001109900000000, -0.0004386500000000 ] - [ 0.0000904800000000, 0.0002310200000000, -0.0004966300000000 ] - [ 0.0000616200000000, 0.0001207500000000, 0.0002319100000000 ] - [ 0.0000825200000000, 0.0002336400000000, 0.0001558400000000 ] - [ 0.0002505700000000, 0.0001109900000000, 0.0004386500000000 ] - [ 0.0000904800000000, 0.0002310200000000, 0.0004966300000000 ] - [ 0.0000563600000000, -0.0001067700000000, -0.0001720900000000 ] - [ -0.0003057800000000, -0.0002574500000000, -0.0000413200000000 ] - [ -0.0000421500000000, -0.0001565600000000, -0.0002768000000000 ] - [ -0.0000327300000000, -0.0002133400000000, -0.0002295700000000 ] - [ -0.0000217000000000, 0.0003060900000000, -0.0001999800000000 ] - [ -0.0001136200000000, 0.0002302200000000, -0.0003679700000000 ] - [ -0.0002232100000000, 0.0001727100000000, -0.0003534800000000 ] - [ -0.0001083700000000, 0.0002249600000000, -0.0003423800000000 ] - [ -0.0000714400000000, 0.0042538800000000, 0.0029557200000000 ] - [ 0.0001332700000000, -0.0001717100000000, 0.0001030200000000 ] - [ 0.0000323100000000, -0.0001867400000000, 0.0002656900000000 ] - [ 0.0000050600000000, -0.0001898500000000, 0.0002985300000000 ] - [ -0.0000796800000000, -0.0002056700000000, -0.0004507700000000 ] - [ -0.0000891300000000, -0.0001965300000000, -0.0003131400000000 ] - [ -0.0002436700000000, -0.0002713500000000, -0.0005484200000000 ] - [ -0.0001382900000000, -0.0001598400000000, -0.0004560900000000 ] - [ 0.0001936100000000, 0.0000415600000000, 0.0003134400000000 ] - [ 0.0003098600000000, 0.0000595800000000, 0.0002879300000000 ] - [ 0.0000083800000000, 0.0001457300000000, 0.0003718200000000 ] - [ -0.0000412700000000, 0.0001424500000000, 0.0002747600000000 ] - [ 0.0000711300000000, -0.0002093800000000, 0.0003195100000000 ] - [ 0.0001107000000000, -0.0001788300000000, 0.0003898000000000 ] - [ 0.0004999900000000, 0.0033555000000000, -0.0016961500000000 ] - [ 0.0001899400000000, -0.0001768700000000, 0.0005329300000000 ] - [ -0.0000348700000000, 0.0000840100000000, -0.0005287000000000 ] - [ -0.0000750700000000, 0.0002040100000000, -0.0003072700000000 ] - [ 0.0000021400000000, 0.0001728900000000, -0.0003358400000000 ] - [ 0.0000734700000000, 0.0001209700000000, -0.0003299200000000 ] - [ -0.0000348700000000, 0.0000840100000000, 0.0005287000000000 ] - [ -0.0000750700000000, 0.0002040100000000, 0.0003072700000000 ] - [ 0.0000021400000000, 0.0001728900000000, 0.0003358400000000 ] - [ 0.0000734700000000, 0.0001209700000000, 0.0003299200000000 ] - [ 0.0000711300000000, -0.0002093800000000, -0.0003195100000000 ] - [ 0.0001107000000000, -0.0001788300000000, -0.0003898000000000 ] - [ 0.0004999900000000, 0.0033555000000000, 0.0016961500000000 ] - [ 0.0001899400000000, -0.0001768700000000, -0.0005329300000000 ] - [ 0.0001936100000000, 0.0000415600000000, -0.0003134400000000 ] - [ 0.0003098600000000, 0.0000595800000000, -0.0002879300000000 ] - [ 0.0000083800000000, 0.0001457300000000, -0.0003718200000000 ] - [ -0.0000412700000000, 0.0001424500000000, -0.0002747600000000 ] - [ -0.0000796800000000, -0.0002056700000000, 0.0004507700000000 ] - [ -0.0000891300000000, -0.0001965300000000, 0.0003131400000000 ] - [ -0.0002436700000000, -0.0002713500000000, 0.0005484200000000 ] - [ -0.0001382900000000, -0.0001598400000000, 0.0004560900000000 ] - [ 0.0001322400000000, -0.0227619500000000, 0.0000000000000000 ] - [ 0.0001178300000000, -0.0001060600000000, 0.0000000000000000 ] - [ 0.0000987800000000, 0.0000592500000000, 0.0000000000000000 ] - [ 0.0001394600000000, 0.0000601600000000, 0.0000000000000000 ] - [ 0.0024172500000000, 0.0015455800000000, 0.0000000000000000 ] - [ -0.0020508300000000, 0.0015355200000000, 0.0000000000000000 ] - [ 0.0001245500000000, -0.0000894000000000, 0.0000000000000000 ] - [ 0.0000880200000000, -0.0001062100000000, 0.0000000000000000 ] - [ -0.0001287600000000, 0.0002274700000000, 0.0000000000000000 ] - [ -0.0001314200000000, 0.0001222700000000, 0.0000000000000000 ] - [ -0.0000277000000000, 0.0002220900000000, 0.0000000000000000 ] - [ -0.0001500500000000, 0.0001206700000000, 0.0000000000000000 ] - [ -0.0001027700000000, -0.0000372900000000, 0.0000000000000000 ] - [ -0.0000816200000000, 0.0000134000000000, 0.0000000000000000 ] - [ -0.0023109100000000, 0.0017498500000000, 0.0000000000000000 ] - [ 0.0019806700000000, 0.0015381600000000, 0.0000000000000000 ] - [ 0.0000986900000000, -0.0000103500000000, 0.0000000000000000 ] - [ 0.0001426800000000, -0.0000024400000000, 0.0000000000000000 ] - [ 0.0000505800000000, -0.0000140600000000, 0.0000000000000000 ] - [ 0.0000922500000000, 0.0000010900000000, 0.0000000000000000 ] - [ 0.0000799100000000, -0.0000310300000000, 0.0000000000000000 ] - [ 0.0001097600000000, -0.0000125200000000, 0.0000000000000000 ] - [ 0.0001155500000000, -0.0000805700000000, 0.0000000000000000 ] - [ 0.0000347600000000, 0.0000620500000000, 0.0000000000000000 ] - [ -0.0000378300000000, 0.0002057400000000, 0.0000000000000000 ] - [ -0.0001799600000000, 0.0000914600000000, 0.0000000000000000 ] - [ -0.0001165700000000, 0.0000932700000000, 0.0000000000000000 ] - [ -0.0001162900000000, 0.0000330800000000, 0.0000000000000000 ] - [ -0.0001168900000000, -0.0001196900000000, 0.0000000000000000 ] - [ -0.0001962100000000, -0.0001077600000000, 0.0000000000000000 ] - [ -0.0001122100000000, -0.0000804900000000, 0.0000000000000000 ] - [ -0.0001052400000000, -0.0001214000000000, 0.0000000000000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001376900000000, 0.0002457000000000, 0.0000752700000000 ] - [ -0.0000110800000000, 0.0001987600000000, -0.0002306400000000 ] - [ 0.0000074400000000, 0.0001571200000000, -0.0000519700000000 ] - [ 0.0000379000000000, -0.0000960100000000, 0.0000211500000000 ] - [ 0.0000223800000000, 0.0001218500000000, -0.0000511900000000 ] - [ 0.0000052200000000, 0.0001873000000000, -0.0000565600000000 ] - [ 0.0001411100000000, 0.0004912100000000, 0.0001026900000000 ] - [ 0.0000514100000000, 0.0001842200000000, 0.0000868400000000 ] - [ 0.0000223800000000, 0.0001218500000000, 0.0000511900000000 ] - [ 0.0000052200000000, 0.0001873000000000, 0.0000565600000000 ] - [ 0.0001411100000000, 0.0004912100000000, -0.0001026900000000 ] - [ 0.0000514100000000, 0.0001842200000000, -0.0000868400000000 ] - [ 0.0001295800000000, 0.0000740100000000, 0.0000213900000000 ] - [ 0.0000123700000000, 0.0000434000000000, -0.0000090400000000 ] - [ -0.0000214200000000, 0.0002199300000000, 0.0000906700000000 ] - [ -0.0000048500000000, 0.0002742900000000, -0.0000415000000000 ] - [ 0.0001295800000000, 0.0000740100000000, -0.0000213900000000 ] - [ 0.0000123700000000, 0.0000434000000000, 0.0000090400000000 ] - [ -0.0000214200000000, 0.0002199300000000, -0.0000906700000000 ] - [ -0.0000048500000000, 0.0002742900000000, 0.0000415000000000 ] - [ -0.0001376900000000, 0.0002457000000000, -0.0000752700000000 ] - [ -0.0000110800000000, 0.0001987600000000, 0.0002306400000000 ] - [ 0.0000074400000000, 0.0001571200000000, 0.0000519700000000 ] - [ 0.0000379000000000, -0.0000960100000000, -0.0000211500000000 ] - [ 0.0000724400000000, -0.0001903200000000, -0.0000083700000000 ] - [ -0.0001861100000000, -0.0002272800000000, 0.0000015600000000 ] - [ -0.0002994000000000, -0.0007604700000000, 0.0001240600000000 ] - [ 0.0000584700000000, -0.0005749300000000, -0.0002570900000000 ] - [ 0.0001228700000000, -0.0004291700000000, -0.0001099100000000 ] - [ 0.0000203000000000, 0.0000758600000000, 0.0002956500000000 ] - [ 0.0000254600000000, 0.0001644200000000, 0.0000237900000000 ] - [ -0.0000983300000000, 0.0000453100000000, -0.0000709200000000 ] - [ 0.0001228700000000, -0.0004291700000000, 0.0001099100000000 ] - [ 0.0000203000000000, 0.0000758600000000, -0.0002956500000000 ] - [ 0.0000254600000000, 0.0001644200000000, -0.0000237900000000 ] - [ -0.0000983300000000, 0.0000453100000000, 0.0000709200000000 ] - [ 0.0003840700000000, -0.0001722800000000, 0.0000346600000000 ] - [ 0.0000650900000000, -0.0001135100000000, -0.0000093300000000 ] - [ 0.0000697200000000, -0.0003188800000000, 0.0000189100000000 ] - [ 0.0000275200000000, -0.0000659700000000, -0.0000235200000000 ] - [ 0.0003840700000000, -0.0001722800000000, -0.0000346600000000 ] - [ 0.0000650900000000, -0.0001135100000000, 0.0000093300000000 ] - [ 0.0000697200000000, -0.0003188800000000, -0.0000189100000000 ] - [ 0.0000275200000000, -0.0000659700000000, 0.0000235200000000 ] - [ 0.0000724400000000, -0.0001903200000000, 0.0000083700000000 ] - [ -0.0001861100000000, -0.0002272800000000, -0.0000015600000000 ] - [ -0.0002994000000000, -0.0007604700000000, -0.0001240600000000 ] - [ 0.0000584700000000, -0.0005749300000000, 0.0002570900000000 ] - [ -0.0000991100000000, -0.0044721000000000, 0.0022262900000000 ] - [ -0.0002782800000000, -0.0001788400000000, -0.0005032000000000 ] - [ -0.0001762000000000, -0.0001320600000000, -0.0002892300000000 ] - [ -0.0001477200000000, -0.0001553600000000, -0.0003112300000000 ] - [ -0.0001245700000000, 0.0000335300000000, 0.0004306200000000 ] - [ -0.0000495600000000, 0.0000966200000000, 0.0002001100000000 ] - [ 0.0000753300000000, 0.0001579300000000, 0.0002177800000000 ] - [ -0.0000344200000000, 0.0001176400000000, 0.0002490600000000 ] - [ 0.0001004500000000, -0.0002353800000000, 0.0004381000000000 ] - [ 0.0004516300000000, -0.0000939700000000, 0.0005614800000000 ] - [ 0.0001993500000000, -0.0001755200000000, 0.0002944300000000 ] - [ 0.0001610600000000, -0.0001185700000000, 0.0003621900000000 ] - [ 0.0000862100000000, 0.0002225000000000, -0.0004058600000000 ] - [ 0.0000788600000000, 0.0000871500000000, -0.0004036500000000 ] - [ -0.0000973700000000, 0.0002224800000000, -0.0001368500000000 ] - [ 0.0000465100000000, 0.0001089000000000, -0.0000929000000000 ] - [ 0.0000862100000000, 0.0002225000000000, 0.0004058600000000 ] - [ 0.0000788600000000, 0.0000871500000000, 0.0004036500000000 ] - [ -0.0000973700000000, 0.0002224800000000, 0.0001368500000000 ] - [ 0.0000465100000000, 0.0001089000000000, 0.0000929000000000 ] - [ 0.0001004500000000, -0.0002353800000000, -0.0004381000000000 ] - [ 0.0004516300000000, -0.0000939700000000, -0.0005614800000000 ] - [ 0.0001993500000000, -0.0001755200000000, -0.0002944300000000 ] - [ 0.0001610600000000, -0.0001185700000000, -0.0003621900000000 ] - [ -0.0001245700000000, 0.0000335300000000, -0.0004306200000000 ] - [ -0.0000495600000000, 0.0000966200000000, -0.0002001100000000 ] - [ 0.0000753300000000, 0.0001579300000000, -0.0002177800000000 ] - [ -0.0000344200000000, 0.0001176400000000, -0.0002490600000000 ] - [ -0.0000991100000000, -0.0044721000000000, -0.0022262900000000 ] - [ -0.0002782800000000, -0.0001788400000000, 0.0005032000000000 ] - [ -0.0001762000000000, -0.0001320600000000, 0.0002892300000000 ] - [ -0.0001477200000000, -0.0001553600000000, 0.0003112300000000 ] - [ -0.0000225300000000, -0.0001897400000000, -0.0001612900000000 ] - [ -0.0000013400000000, -0.0001442100000000, -0.0002604000000000 ] - [ 0.0001410200000000, -0.0000748300000000, -0.0000316000000000 ] - [ -0.0000004000000000, -0.0001685500000000, -0.0001405400000000 ] - [ -0.0003076300000000, 0.0003373300000000, 0.0002828700000000 ] - [ -0.0003990400000000, 0.0003007600000000, 0.0003086000000000 ] - [ -0.0001085200000000, 0.0002039200000000, 0.0002003700000000 ] - [ -0.0001004300000000, 0.0001986200000000, 0.0003014300000000 ] - [ 0.0000289200000000, -0.0001856400000000, 0.0002864300000000 ] - [ -0.0000186400000000, -0.0001625600000000, 0.0001852700000000 ] - [ -0.0003976200000000, -0.0038194900000000, 0.0023696200000000 ] - [ -0.0000542000000000, -0.0001541700000000, 0.0000653600000000 ] - [ 0.0001182100000000, 0.0002976700000000, -0.0000871200000000 ] - [ 0.0001900700000000, 0.0001508500000000, -0.0003090000000000 ] - [ 0.0001066800000000, 0.0001690400000000, -0.0002137300000000 ] - [ 0.0000594100000000, 0.0002284600000000, -0.0002709600000000 ] - [ 0.0001182100000000, 0.0002976700000000, 0.0000871200000000 ] - [ 0.0001900700000000, 0.0001508500000000, 0.0003090000000000 ] - [ 0.0001066800000000, 0.0001690400000000, 0.0002137300000000 ] - [ 0.0000594100000000, 0.0002284600000000, 0.0002709600000000 ] - [ 0.0000289200000000, -0.0001856400000000, -0.0002864300000000 ] - [ -0.0000186400000000, -0.0001625600000000, -0.0001852700000000 ] - [ -0.0003976200000000, -0.0038194900000000, -0.0023696200000000 ] - [ -0.0000542000000000, -0.0001541700000000, -0.0000653600000000 ] - [ -0.0003076300000000, 0.0003373300000000, -0.0002828700000000 ] - [ -0.0003990400000000, 0.0003007600000000, -0.0003086000000000 ] - [ -0.0001085200000000, 0.0002039200000000, -0.0002003700000000 ] - [ -0.0001004300000000, 0.0001986200000000, -0.0003014300000000 ] - [ -0.0000225300000000, -0.0001897400000000, 0.0001612900000000 ] - [ -0.0000013400000000, -0.0001442100000000, 0.0002604000000000 ] - [ 0.0001410200000000, -0.0000748300000000, 0.0000316000000000 ] - [ -0.0000004000000000, -0.0001685500000000, 0.0001405400000000 ] - [ 0.0000669700000000, 0.0228656100000000, 0.0000000000000000 ] - [ 0.0000955100000000, 0.0001949100000000, 0.0000000000000000 ] - [ 0.0000896200000000, 0.0000216800000000, 0.0000000000000000 ] - [ 0.0000700000000000, 0.0000234100000000, 0.0000000000000000 ] - [ -0.0021618900000000, -0.0015975000000000, 0.0000000000000000 ] - [ 0.0022473100000000, -0.0015862700000000, 0.0000000000000000 ] - [ 0.0000876500000000, 0.0000297800000000, 0.0000000000000000 ] - [ 0.0001140500000000, 0.0000373700000000, 0.0000000000000000 ] - [ -0.0000966600000000, -0.0001624300000000, 0.0000000000000000 ] - [ -0.0000883400000000, -0.0000707100000000, 0.0000000000000000 ] - [ -0.0001827700000000, -0.0001632700000000, 0.0000000000000000 ] - [ -0.0000622300000000, -0.0000473300000000, 0.0000000000000000 ] - [ -0.0000949700000000, -0.0000780900000000, 0.0000000000000000 ] - [ -0.0001164100000000, -0.0001054900000000, 0.0000000000000000 ] - [ 0.0021534600000000, -0.0018498300000000, 0.0000000000000000 ] - [ -0.0022197800000000, -0.0016155300000000, 0.0000000000000000 ] - [ 0.0001202700000000, 0.0000737300000000, 0.0000000000000000 ] - [ 0.0000836800000000, 0.0000485000000000, 0.0000000000000000 ] - [ 0.0001622600000000, 0.0000785600000000, 0.0000000000000000 ] - [ 0.0001183800000000, 0.0000731400000000, 0.0000000000000000 ] - [ 0.0001167800000000, -0.0000855800000000, 0.0000000000000000 ] - [ 0.0000888300000000, -0.0000781600000000, 0.0000000000000000 ] - [ 0.0000729500000000, -0.0000044800000000, 0.0000000000000000 ] - [ 0.0001781000000000, -0.0001297900000000, 0.0000000000000000 ] - [ -0.0001481300000000, -0.0000997000000000, 0.0000000000000000 ] - [ -0.0000349100000000, -0.0000010000000000, 0.0000000000000000 ] - [ -0.0000705900000000, -0.0000071800000000, 0.0000000000000000 ] - [ -0.0000940300000000, 0.0000456400000000, 0.0000000000000000 ] - [ -0.0001174300000000, 0.0000625400000000, 0.0000000000000000 ] - [ -0.0000217100000000, 0.0000400400000000, 0.0000000000000000 ] - [ -0.0000951600000000, 0.0000243900000000, 0.0000000000000000 ] - [ -0.0001020400000000, 0.0000491500000000, 0.0000000000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002251100000000, -0.0013357500000000, 0.0008902600000000 ] - [ -0.0001231200000000, -0.0001542700000000, 0.0001442800000000 ] - [ -0.0000148300000000, -0.0001642800000000, 0.0000388500000000 ] - [ 0.0000244400000000, -0.0003904300000000, -0.0000454800000000 ] - [ 0.0000013600000000, 0.0001385300000000, 0.0000064300000000 ] - [ 0.0000031300000000, 0.0003306000000000, 0.0000078100000000 ] - [ 0.0001307800000000, 0.0006981600000000, 0.0002123300000000 ] - [ 0.0000235000000000, 0.0002400000000000, -0.0000885200000000 ] - [ 0.0000096300000000, 0.0004978700000000, -0.0000273500000000 ] - [ -0.0000161700000000, 0.0000865900000000, 0.0000395900000000 ] - [ -0.0001447900000000, -0.0000016300000000, 0.0001897900000000 ] - [ -0.0000175600000000, 0.0002443200000000, -0.0000678000000000 ] - [ -0.0001152900000000, -0.0001508900000000, 0.0002616100000000 ] - [ -0.0000439100000000, 0.0000698800000000, -0.0000456200000000 ] - [ 0.0000175500000000, 0.0002090300000000, -0.0000870400000000 ] - [ -0.0000149700000000, -0.0001168600000000, 0.0001095800000000 ] - [ 0.0001363100000000, 0.0001610400000000, 0.0002549500000000 ] - [ 0.0000254600000000, -0.0000549700000000, -0.0000365000000000 ] - [ 0.0000026500000000, -0.0001742300000000, -0.0000781800000000 ] - [ -0.0000026100000000, 0.0001532100000000, 0.0001014600000000 ] - [ -0.0002020700000000, 0.0006907200000000, 0.0008938600000000 ] - [ 0.0001058700000000, -0.0002761900000000, 0.0001054000000000 ] - [ 0.0000082700000000, -0.0004910400000000, 0.0000572800000000 ] - [ -0.0000191400000000, -0.0000333000000000, -0.0000644300000000 ] - [ 0.0000560000000000, -0.0000436000000000, 0.0000566600000000 ] - [ -0.0000713600000000, 0.0000640000000000, -0.0000113800000000 ] - [ 0.0002161400000000, 0.0003722500000000, 0.0001793200000000 ] - [ 0.0000662500000000, -0.0001613500000000, 0.0000431800000000 ] - [ -0.0000108000000000, -0.0009299500000000, 0.0009069000000000 ] - [ -0.0000124500000000, -0.0001217900000000, 0.0001188500000000 ] - [ 0.0000475300000000, 0.0001363000000000, -0.0000368200000000 ] - [ -0.0000508500000000, -0.0000483300000000, 0.0000474400000000 ] - [ 0.0000003800000000, 0.0011388200000000, 0.0010192100000000 ] - [ 0.0000142500000000, 0.0001886200000000, 0.0000460600000000 ] - [ -0.0000326600000000, -0.0000023000000000, 0.0000289600000000 ] - [ 0.0000378100000000, 0.0001208300000000, -0.0000190000000000 ] - [ -0.0004717200000000, -0.0000913700000000, 0.0013573800000000 ] - [ 0.0003265900000000, 0.0001050000000000, 0.0001520600000000 ] - [ 0.0000219800000000, 0.0000063700000000, 0.0000036000000000 ] - [ -0.0000204900000000, -0.0000268900000000, 0.0000000700000000 ] - [ 0.0004877800000000, -0.0000195800000000, 0.0013937900000000 ] - [ -0.0003266200000000, -0.0001977100000000, 0.0001682900000000 ] - [ -0.0000281900000000, 0.0000198300000000, 0.0000136500000000 ] - [ 0.0000244500000000, 0.0000521700000000, -0.0000088000000000 ] - [ -0.0000401700000000, -0.0001453700000000, -0.0000074000000000 ] - [ 0.0000606400000000, -0.0001500400000000, 0.0000525900000000 ] - [ -0.0001997600000000, -0.0005275900000000, 0.0001148600000000 ] - [ -0.0000794700000000, 0.0000823500000000, 0.0001134800000000 ] - [ -0.0000784000000000, -0.0031993200000000, 0.0014529800000000 ] - [ -0.0000766400000000, -0.0001683300000000, -0.0003297800000000 ] - [ -0.0000196300000000, -0.0001888500000000, -0.0002862500000000 ] - [ -0.0000292100000000, -0.0002101600000000, -0.0003195700000000 ] - [ -0.0000977400000000, 0.0001063500000000, 0.0003665700000000 ] - [ -0.0000495100000000, 0.0001774000000000, 0.0003932800000000 ] - [ -0.0000478000000000, 0.0002020300000000, 0.0002936800000000 ] - [ -0.0000656800000000, 0.0002108700000000, 0.0002830000000000 ] - [ -0.0000295200000000, -0.0003539100000000, 0.0004331800000000 ] - [ 0.0003301400000000, -0.0002428800000000, 0.0003724600000000 ] - [ 0.0000029300000000, -0.0002587500000000, 0.0002246500000000 ] - [ 0.0000246500000000, -0.0001578100000000, 0.0003714200000000 ] - [ 0.0000531200000000, 0.0001997600000000, -0.0003364600000000 ] - [ 0.0000384000000000, 0.0001050900000000, -0.0004681700000000 ] - [ 0.0000526900000000, 0.0001726300000000, -0.0004022800000000 ] - [ 0.0000713900000000, 0.0002362100000000, -0.0002542400000000 ] - [ 0.0000052700000000, 0.0002070500000000, 0.0002615300000000 ] - [ 0.0000760500000000, 0.0002286000000000, 0.0001258700000000 ] - [ -0.0000700000000000, 0.0002832600000000, 0.0002166500000000 ] - [ -0.0000510600000000, 0.0001960700000000, 0.0003805300000000 ] - [ 0.0000780800000000, -0.0000497100000000, -0.0001349200000000 ] - [ -0.0002397700000000, -0.0000997500000000, -0.0002241900000000 ] - [ 0.0000147200000000, -0.0001694500000000, -0.0003666800000000 ] - [ 0.0000330700000000, -0.0002369400000000, -0.0002046400000000 ] - [ 0.0000078800000000, 0.0002484800000000, -0.0002435400000000 ] - [ -0.0000350400000000, 0.0002075800000000, -0.0001911600000000 ] - [ 0.0000460600000000, 0.0002417800000000, -0.0003277600000000 ] - [ 0.0000630900000000, 0.0002319600000000, -0.0003498600000000 ] - [ -0.0000047000000000, 0.0029183800000000, 0.0020917900000000 ] - [ 0.0000108700000000, -0.0002266000000000, 0.0002603100000000 ] - [ -0.0000140100000000, -0.0002261500000000, 0.0003050200000000 ] - [ -0.0000136300000000, -0.0001984600000000, 0.0002593800000000 ] - [ -0.0001117900000000, -0.0000805400000000, -0.0003655600000000 ] - [ -0.0000170000000000, -0.0001879500000000, -0.0001544100000000 ] - [ 0.0001448900000000, -0.0003816100000000, -0.0000965900000000 ] - [ -0.0000673700000000, -0.0001473900000000, -0.0002633500000000 ] - [ 0.0034483200000000, 0.0003023500000000, 0.0022799100000000 ] - [ -0.0030933900000000, -0.0000012600000000, 0.0025098400000000 ] - [ -0.0001506000000000, 0.0000766900000000, 0.0003668900000000 ] - [ -0.0000489700000000, 0.0002174800000000, 0.0001923900000000 ] - [ 0.0001078400000000, -0.0001046200000000, 0.0003526500000000 ] - [ 0.0000075300000000, -0.0001613000000000, 0.0001529800000000 ] - [ -0.0001972400000000, -0.0029697700000000, 0.0018960100000000 ] - [ 0.0001571600000000, -0.0001962100000000, 0.0003323700000000 ] - [ -0.0000491300000000, 0.0000953500000000, 0.0002714200000000 ] - [ 0.0001076600000000, 0.0001232100000000, -0.0002614200000000 ] - [ 0.0001474200000000, 0.0001228500000000, -0.0003852100000000 ] - [ 0.0000458200000000, 0.0001675700000000, -0.0001773300000000 ] - [ 0.0002732500000000, 0.0001350700000000, 0.0008400000000000 ] - [ 0.0000426900000000, 0.0002037600000000, 0.0002742000000000 ] - [ 0.0000932400000000, 0.0001550100000000, 0.0002285900000000 ] - [ 0.0001242200000000, 0.0001665100000000, 0.0003725000000000 ] - [ 0.0001159200000000, -0.0001471700000000, -0.0002315600000000 ] - [ 0.0001359200000000, -0.0001529300000000, -0.0003960200000000 ] - [ 0.0004584700000000, 0.0026054600000000, 0.0012149700000000 ] - [ 0.0000275000000000, -0.0001729400000000, -0.0002445100000000 ] - [ -0.0035968300000000, -0.0000609500000000, 0.0016401100000000 ] - [ 0.0028721400000000, 0.0003328700000000, 0.0019563400000000 ] - [ -0.0000991600000000, 0.0001932200000000, -0.0002404700000000 ] - [ -0.0001102700000000, 0.0001243800000000, -0.0003608600000000 ] - [ -0.0001154800000000, -0.0001728000000000, 0.0002431900000000 ] - [ -0.0001222600000000, -0.0001256200000000, 0.0003699200000000 ] - [ -0.0004106400000000, 0.0000972600000000, 0.0005329200000000 ] - [ -0.0001047400000000, -0.0002310200000000, 0.0003176900000000 ] - [ 0.0001146300000000, -0.0000257600000000, -0.0224971900000000 ] - [ 0.0000973900000000, 0.0000196600000000, -0.0001664500000000 ] - [ 0.0001324100000000, 0.0000014400000000, -0.0000542300000000 ] - [ 0.0001019600000000, 0.0000241100000000, 0.0000751900000000 ] - [ 0.0000785300000000, -0.0000834100000000, -0.0005744900000000 ] - [ 0.0001116800000000, -0.0000609300000000, -0.0005767800000000 ] - [ 0.0000790000000000, -0.0000749800000000, 0.0000029000000000 ] - [ 0.0000977000000000, -0.0000595400000000, 0.0000063700000000 ] - [ -0.0000987200000000, 0.0000583200000000, -0.0000356100000000 ] - [ -0.0000921800000000, 0.0000664400000000, 0.0000132300000000 ] - [ -0.0000882700000000, 0.0000817400000000, -0.0000198500000000 ] - [ -0.0000829200000000, 0.0000833500000000, 0.0000268500000000 ] - [ -0.0001306600000000, 0.0000027100000000, -0.0000363300000000 ] - [ -0.0000953300000000, -0.0000245300000000, 0.0000614400000000 ] - [ -0.0001467000000000, 0.0000075700000000, -0.0005843700000000 ] - [ -0.0000951100000000, -0.0000270300000000, -0.0006586600000000 ] - [ 0.0000836800000000, 0.0000743800000000, -0.0000094000000000 ] - [ 0.0001073100000000, 0.0000504400000000, -0.0000105200000000 ] - [ 0.0000765200000000, 0.0000892800000000, -0.0000230000000000 ] - [ 0.0000945200000000, 0.0000747300000000, -0.0000262400000000 ] - [ 0.0001293600000000, 0.0000011600000000, 0.0000485300000000 ] - [ 0.0000967400000000, -0.0000231900000000, -0.0000746800000000 ] - [ 0.0001367100000000, -0.0000036200000000, -0.0000877200000000 ] - [ 0.0001051400000000, -0.0000300300000000, 0.0000117000000000 ] - [ -0.0001302600000000, -0.0000110500000000, -0.0000590400000000 ] - [ -0.0000968900000000, 0.0000209400000000, 0.0000048700000000 ] - [ -0.0001353000000000, -0.0000021200000000, 0.0000374000000000 ] - [ -0.0000987900000000, 0.0000274300000000, -0.0000544900000000 ] - [ -0.0001005500000000, -0.0000604400000000, -0.0000181200000000 ] - [ -0.0000907100000000, -0.0000706500000000, -0.0000294200000000 ] - [ -0.0000908400000000, -0.0000667700000000, -0.0000039900000000 ] - [ -0.0000860400000000, -0.0000678100000000, -0.0000138100000000 ]