# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/05b4469c-9684-41e2-80e1-bb54db4d7dbc/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 LiZr2(PO4)3 / P2_1/c (14) / materials id 10499](https://mdr.nims.go.jp/datasets/2b9fd1e2-9a11-4ecd-8ad6-3dae55881655) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.861391930000000, 0.000000000000000, 0.010603280000000 ] # a - [ 0.000000000000000, 8.972194130000000, 0.000000000000000 ] # b - [ -8.697392250000000, 0.000000000000000, 12.416230499999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.968971040000000, 0.775699030000000, 0.678347940000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.031028960000000, 0.275699030000000, 0.821652060000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.031028960000000, 0.224300970000000, 0.321652060000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.968971040000000, 0.724300970000000, 0.178347940000000 ] mass: 6.941000 - symbol: O # 5 coordinates: [ 0.706696840000000, 0.211667120000000, 0.332094370000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.441351450000000, 0.354211590000000, 0.063014360000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.558648550000000, 0.854211590000000, 0.436985640000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.558648550000000, 0.645788410000000, 0.936985640000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.441351450000000, 0.145788410000000, 0.563014360000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.594701440000000, 0.477281990000000, 0.274236310000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.405298560000000, 0.977281990000000, 0.225763690000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.405298560000000, 0.522718010000000, 0.725763690000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.797302180000000, 0.894454780000000, 0.354526180000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.797302180000000, 0.605545220000000, 0.854526180000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.202697820000000, 0.105545220000000, 0.645473820000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.516938910000000, 0.666929790000000, 0.088636410000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.483061090000000, 0.166929790000000, 0.411363590000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.483061090000000, 0.333070210000000, 0.911363590000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.516938910000000, 0.833070210000000, 0.588636410000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.293303160000000, 0.711667120000000, 0.167905630000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.594701440000000, 0.022718010000000, 0.774236310000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.202697820000000, 0.394454780000000, 0.145473820000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.706696840000000, 0.288332880000000, 0.832094370000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.293303160000000, 0.788332880000000, 0.667905630000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.179490820000000, 0.582137090000000, 0.530670880000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.820509180000000, 0.082137090000000, 0.969329120000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.820509180000000, 0.417862910000000, 0.469329120000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.179490820000000, 0.917862910000000, 0.030670880000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.001543780000000, 0.746841740000000, 0.320348030000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.998456220000000, 0.246841740000000, 0.179651970000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.998456220000000, 0.253158260000000, 0.679651970000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.001543780000000, 0.753158260000000, 0.820348030000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.389628540000000, 0.637713370000000, 0.443214220000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.610371460000000, 0.137713370000000, 0.056785780000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.140186300000000, 0.556697880000000, 0.965386320000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.389628540000000, 0.862286630000000, 0.943214220000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.919260190000000, 0.403644580000000, 0.343642060000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.080739810000000, 0.903644580000000, 0.156357940000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.080739810000000, 0.596355420000000, 0.656357940000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.919260190000000, 0.096355420000000, 0.843642060000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.055983680000000, 0.520195200000000, 0.227156760000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.944016320000000, 0.020195200000000, 0.272843240000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.944016320000000, 0.479804800000000, 0.772843240000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.055983680000000, 0.979804800000000, 0.727156760000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.266753950000000, 0.335617830000000, 0.419040250000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.733246050000000, 0.835617830000000, 0.080959750000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.733246050000000, 0.664382170000000, 0.580959750000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.266753950000000, 0.164382170000000, 0.919040250000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.140186300000000, 0.943302120000000, 0.465386320000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.859813700000000, 0.443302120000000, 0.034613680000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.859813700000000, 0.056697880000000, 0.534613680000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.610371460000000, 0.362286630000000, 0.556785780000000 ] mass: 15.999400 - symbol: P # 53 coordinates: [ 0.547049890000000, 0.750632900000000, 0.012235860000000 ] mass: 30.973762 - symbol: P # 54 coordinates: [ 0.452950110000000, 0.250632900000000, 0.487764140000000 ] mass: 30.973762 - symbol: P # 55 coordinates: [ 0.547049890000000, 0.749367100000000, 0.512235860000000 ] mass: 30.973762 - symbol: P # 56 coordinates: [ 0.243258410000000, 0.877307730000000, 0.146336930000000 ] mass: 30.973762 - symbol: P # 57 coordinates: [ 0.756741590000000, 0.377307730000000, 0.353663070000000 ] mass: 30.973762 - symbol: P # 58 coordinates: [ 0.756741590000000, 0.122692270000000, 0.853663070000000 ] mass: 30.973762 - symbol: P # 59 coordinates: [ 0.243258410000000, 0.622692270000000, 0.646336930000000 ] mass: 30.973762 - symbol: P # 60 coordinates: [ 0.970173420000000, 0.599182850000000, 0.855118510000000 ] mass: 30.973762 - symbol: P # 61 coordinates: [ 0.029826580000000, 0.099182850000000, 0.644881490000000 ] mass: 30.973762 - symbol: P # 62 coordinates: [ 0.029826580000000, 0.400817150000000, 0.144881490000000 ] mass: 30.973762 - symbol: P # 63 coordinates: [ 0.970173420000000, 0.900817150000000, 0.355118510000000 ] mass: 30.973762 - symbol: P # 64 coordinates: [ 0.452950110000000, 0.249367100000000, 0.987764140000000 ] mass: 30.973762 - symbol: Zr # 65 coordinates: [ 0.143795250000000, 0.545243230000000, 0.389305100000000 ] mass: 91.224000 - symbol: Zr # 66 coordinates: [ 0.370659550000000, 0.524903060000000, 0.121823480000000 ] mass: 91.224000 - symbol: Zr # 67 coordinates: [ 0.629340450000000, 0.024903060000000, 0.378176520000000 ] mass: 91.224000 - symbol: Zr # 68 coordinates: [ 0.629340450000000, 0.475096940000000, 0.878176520000000 ] mass: 91.224000 - symbol: Zr # 69 coordinates: [ 0.370659550000000, 0.975096940000000, 0.621823480000000 ] mass: 91.224000 - symbol: Zr # 70 coordinates: [ 0.143795250000000, 0.954756770000000, 0.889305100000000 ] mass: 91.224000 - symbol: Zr # 71 coordinates: [ 0.856204750000000, 0.454756770000000, 0.610694900000000 ] mass: 91.224000 - symbol: Zr # 72 coordinates: [ 0.856204750000000, 0.045243230000000, 0.110694900000000 ] mass: 91.224000 reciprocal_lattice: # without 2pi - [ 0.112754579563566, 0.000000000000000, 0.078982973652766 ] # a* - [ 0.000000000000000, 0.111455457328585, 0.000000000000000 ] # b* - [ -0.000096290768635, 0.000000000000000, 0.080472291603730 ] # c*unit_cell: lattice: - [ 8.861391930000000, 0.000000000000000, 0.010603280000000 ] # a - [ 0.000000000000000, 8.972194130000000, 0.000000000000000 ] # b - [ -8.697392250000000, 0.000000000000000, 12.416230499999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.968971040000000, 0.775699030000000, 0.678347940000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.031028960000000, 0.275699030000000, 0.821652060000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.031028960000000, 0.224300970000000, 0.321652060000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.968971040000000, 0.724300970000000, 0.178347940000000 ] mass: 6.941000 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.706696840000000, 0.211667120000000, 0.332094370000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.441351450000000, 0.354211590000000, 0.063014360000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.558648550000000, 0.854211590000000, 0.436985640000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.558648550000000, 0.645788410000000, 0.936985640000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.441351450000000, 0.145788410000000, 0.563014360000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.594701440000000, 0.477281990000000, 0.274236310000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.405298560000000, 0.977281990000000, 0.225763690000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.405298560000000, 0.522718010000000, 0.725763690000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.797302180000000, 0.894454780000000, 0.354526180000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.797302180000000, 0.605545220000000, 0.854526180000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.202697820000000, 0.105545220000000, 0.645473820000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.516938910000000, 0.666929790000000, 0.088636410000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.483061090000000, 0.166929790000000, 0.411363590000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.483061090000000, 0.333070210000000, 0.911363590000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.516938910000000, 0.833070210000000, 0.588636410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.293303160000000, 0.711667120000000, 0.167905630000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.594701440000000, 0.022718010000000, 0.774236310000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.202697820000000, 0.394454780000000, 0.145473820000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.706696840000000, 0.288332880000000, 0.832094370000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.293303160000000, 0.788332880000000, 0.667905630000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.179490820000000, 0.582137090000000, 0.530670880000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.820509180000000, 0.082137090000000, 0.969329120000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.820509180000000, 0.417862910000000, 0.469329120000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.179490820000000, 0.917862910000000, 0.030670880000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.001543780000000, 0.746841740000000, 0.320348030000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.998456220000000, 0.246841740000000, 0.179651970000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.998456220000000, 0.253158260000000, 0.679651970000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.001543780000000, 0.753158260000000, 0.820348030000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.389628540000000, 0.637713370000000, 0.443214220000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.610371460000000, 0.137713370000000, 0.056785780000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.140186300000000, 0.556697880000000, 0.965386320000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.389628540000000, 0.862286630000000, 0.943214220000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.919260190000000, 0.403644580000000, 0.343642060000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.080739810000000, 0.903644580000000, 0.156357940000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.080739810000000, 0.596355420000000, 0.656357940000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.919260190000000, 0.096355420000000, 0.843642060000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.055983680000000, 0.520195200000000, 0.227156760000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.944016320000000, 0.020195200000000, 0.272843240000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.944016320000000, 0.479804800000000, 0.772843240000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.055983680000000, 0.979804800000000, 0.727156760000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.266753950000000, 0.335617830000000, 0.419040250000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.733246050000000, 0.835617830000000, 0.080959750000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.733246050000000, 0.664382170000000, 0.580959750000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.266753950000000, 0.164382170000000, 0.919040250000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.140186300000000, 0.943302120000000, 0.465386320000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.859813700000000, 0.443302120000000, 0.034613680000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.859813700000000, 0.056697880000000, 0.534613680000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.610371460000000, 0.362286630000000, 0.556785780000000 ] mass: 15.999400 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.547049890000000, 0.750632900000000, 0.012235860000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.452950110000000, 0.250632900000000, 0.487764140000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.547049890000000, 0.749367100000000, 0.512235860000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.243258410000000, 0.877307730000000, 0.146336930000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.756741590000000, 0.377307730000000, 0.353663070000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.756741590000000, 0.122692270000000, 0.853663070000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 59 coordinates: [ 0.243258410000000, 0.622692270000000, 0.646336930000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.970173420000000, 0.599182850000000, 0.855118510000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 61 coordinates: [ 0.029826580000000, 0.099182850000000, 0.644881490000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.029826580000000, 0.400817150000000, 0.144881490000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 63 coordinates: [ 0.970173420000000, 0.900817150000000, 0.355118510000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 64 coordinates: [ 0.452950110000000, 0.249367100000000, 0.987764140000000 ] mass: 30.973762 reduced_to: 64 - symbol: Zr # 65 coordinates: [ 0.143795250000000, 0.545243230000000, 0.389305100000000 ] mass: 91.224000 reduced_to: 65 - symbol: Zr # 66 coordinates: [ 0.370659550000000, 0.524903060000000, 0.121823480000000 ] mass: 91.224000 reduced_to: 66 - symbol: Zr # 67 coordinates: [ 0.629340450000000, 0.024903060000000, 0.378176520000000 ] mass: 91.224000 reduced_to: 67 - symbol: Zr # 68 coordinates: [ 0.629340450000000, 0.475096940000000, 0.878176520000000 ] mass: 91.224000 reduced_to: 68 - symbol: Zr # 69 coordinates: [ 0.370659550000000, 0.975096940000000, 0.621823480000000 ] mass: 91.224000 reduced_to: 69 - symbol: Zr # 70 coordinates: [ 0.143795250000000, 0.954756770000000, 0.889305100000000 ] mass: 91.224000 reduced_to: 70 - symbol: Zr # 71 coordinates: [ 0.856204750000000, 0.454756770000000, 0.610694900000000 ] mass: 91.224000 reduced_to: 71 - symbol: Zr # 72 coordinates: [ 0.856204750000000, 0.045243230000000, 0.110694900000000 ] mass: 91.224000 reduced_to: 72supercell: lattice: - [ 17.722783860000000, 0.000000000000000, 0.021206560000000 ] # a - [ 0.000000000000000, 8.972194130000000, 0.000000000000000 ] # b - [ -8.697392250000000, 0.000000000000000, 12.416230499999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.484485520000000, 0.775699030000000, 0.678347940000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.984485520000000, 0.775699030000000, 0.678347940000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.015514480000000, 0.275699030000000, 0.821652060000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.515514480000000, 0.275699030000000, 0.821652060000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 5 coordinates: [ 0.015514480000000, 0.224300970000000, 0.321652060000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.515514480000000, 0.224300970000000, 0.321652060000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.484485520000000, 0.724300970000000, 0.178347940000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.984485520000000, 0.724300970000000, 0.178347940000000 ] mass: 6.941000 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.353348420000000, 0.211667120000000, 0.332094370000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.853348420000000, 0.211667120000000, 0.332094370000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.220675725000000, 0.354211590000000, 0.063014360000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.720675725000000, 0.354211590000000, 0.063014360000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.279324275000000, 0.854211590000000, 0.436985640000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.779324275000000, 0.854211590000000, 0.436985640000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.279324275000000, 0.645788410000000, 0.936985640000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.779324275000000, 0.645788410000000, 0.936985640000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.220675725000000, 0.145788410000000, 0.563014360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.720675725000000, 0.145788410000000, 0.563014360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.297350720000000, 0.477281990000000, 0.274236310000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.797350720000000, 0.477281990000000, 0.274236310000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.202649280000000, 0.977281990000000, 0.225763690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.702649280000000, 0.977281990000000, 0.225763690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.202649280000000, 0.522718010000000, 0.725763690000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.702649280000000, 0.522718010000000, 0.725763690000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.398651090000000, 0.894454780000000, 0.354526180000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.898651090000000, 0.894454780000000, 0.354526180000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.398651090000000, 0.605545220000000, 0.854526180000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.898651090000000, 0.605545220000000, 0.854526180000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.101348910000000, 0.105545220000000, 0.645473820000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.601348910000000, 0.105545220000000, 0.645473820000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.258469455000000, 0.666929790000000, 0.088636410000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.758469455000000, 0.666929790000000, 0.088636410000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.241530545000000, 0.166929790000000, 0.411363590000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.741530545000000, 0.166929790000000, 0.411363590000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.241530545000000, 0.333070210000000, 0.911363590000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.741530545000000, 0.333070210000000, 0.911363590000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.258469455000000, 0.833070210000000, 0.588636410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.758469455000000, 0.833070210000000, 0.588636410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.146651580000000, 0.711667120000000, 0.167905630000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.646651580000000, 0.711667120000000, 0.167905630000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.297350720000000, 0.022718010000000, 0.774236310000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.797350720000000, 0.022718010000000, 0.774236310000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.101348910000000, 0.394454780000000, 0.145473820000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.601348910000000, 0.394454780000000, 0.145473820000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.353348420000000, 0.288332880000000, 0.832094370000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.853348420000000, 0.288332880000000, 0.832094370000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.146651580000000, 0.788332880000000, 0.667905630000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.646651580000000, 0.788332880000000, 0.667905630000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.089745410000000, 0.582137090000000, 0.530670880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.589745410000000, 0.582137090000000, 0.530670880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.410254590000000, 0.082137090000000, 0.969329120000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.910254590000000, 0.082137090000000, 0.969329120000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.410254590000000, 0.417862910000000, 0.469329120000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.910254590000000, 0.417862910000000, 0.469329120000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.089745410000000, 0.917862910000000, 0.030670880000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.589745410000000, 0.917862910000000, 0.030670880000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.000771890000000, 0.746841740000000, 0.320348030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500771890000000, 0.746841740000000, 0.320348030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.499228110000000, 0.246841740000000, 0.179651970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.999228110000000, 0.246841740000000, 0.179651970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.499228110000000, 0.253158260000000, 0.679651970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.999228110000000, 0.253158260000000, 0.679651970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.000771890000000, 0.753158260000000, 0.820348030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.500771890000000, 0.753158260000000, 0.820348030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.194814270000000, 0.637713370000000, 0.443214220000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.694814270000000, 0.637713370000000, 0.443214220000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.305185730000000, 0.137713370000000, 0.056785780000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.805185730000000, 0.137713370000000, 0.056785780000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.070093150000000, 0.556697880000000, 0.965386320000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.570093150000000, 0.556697880000000, 0.965386320000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.194814270000000, 0.862286630000000, 0.943214220000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.694814270000000, 0.862286630000000, 0.943214220000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.459630095000000, 0.403644580000000, 0.343642060000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.959630095000000, 0.403644580000000, 0.343642060000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.040369905000000, 0.903644580000000, 0.156357940000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.540369905000000, 0.903644580000000, 0.156357940000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.040369905000000, 0.596355420000000, 0.656357940000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.540369905000000, 0.596355420000000, 0.656357940000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.459630095000000, 0.096355420000000, 0.843642060000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.959630095000000, 0.096355420000000, 0.843642060000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.027991840000000, 0.520195200000000, 0.227156760000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.527991840000000, 0.520195200000000, 0.227156760000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.472008160000000, 0.020195200000000, 0.272843240000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.972008160000000, 0.020195200000000, 0.272843240000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.472008160000000, 0.479804800000000, 0.772843240000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.972008160000000, 0.479804800000000, 0.772843240000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.027991840000000, 0.979804800000000, 0.727156760000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.527991840000000, 0.979804800000000, 0.727156760000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.133376975000000, 0.335617830000000, 0.419040250000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.633376975000000, 0.335617830000000, 0.419040250000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.366623025000000, 0.835617830000000, 0.080959750000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.866623025000000, 0.835617830000000, 0.080959750000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.366623025000000, 0.664382170000000, 0.580959750000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.866623025000000, 0.664382170000000, 0.580959750000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.133376975000000, 0.164382170000000, 0.919040250000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.633376975000000, 0.164382170000000, 0.919040250000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.070093150000000, 0.943302120000000, 0.465386320000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.570093150000000, 0.943302120000000, 0.465386320000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.429906850000000, 0.443302120000000, 0.034613680000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.929906850000000, 0.443302120000000, 0.034613680000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.429906850000000, 0.056697880000000, 0.534613680000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.929906850000000, 0.056697880000000, 0.534613680000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.305185730000000, 0.362286630000000, 0.556785780000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.805185730000000, 0.362286630000000, 0.556785780000000 ] mass: 15.999400 reduced_to: 103 - symbol: P # 105 coordinates: [ 0.273524945000000, 0.750632900000000, 0.012235860000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 106 coordinates: [ 0.773524945000000, 0.750632900000000, 0.012235860000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 107 coordinates: [ 0.226475055000000, 0.250632900000000, 0.487764140000000 ] mass: 30.973762 reduced_to: 107 - symbol: P # 108 coordinates: [ 0.726475055000000, 0.250632900000000, 0.487764140000000 ] mass: 30.973762 reduced_to: 107 - symbol: P # 109 coordinates: [ 0.273524945000000, 0.749367100000000, 0.512235860000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 110 coordinates: [ 0.773524945000000, 0.749367100000000, 0.512235860000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 111 coordinates: [ 0.121629205000000, 0.877307730000000, 0.146336930000000 ] mass: 30.973762 reduced_to: 111 - symbol: P # 112 coordinates: [ 0.621629205000000, 0.877307730000000, 0.146336930000000 ] mass: 30.973762 reduced_to: 111 - symbol: P # 113 coordinates: [ 0.378370795000000, 0.377307730000000, 0.353663070000000 ] mass: 30.973762 reduced_to: 113 - symbol: P # 114 coordinates: [ 0.878370795000000, 0.377307730000000, 0.353663070000000 ] mass: 30.973762 reduced_to: 113 - symbol: P # 115 coordinates: [ 0.378370795000000, 0.122692270000000, 0.853663070000000 ] mass: 30.973762 reduced_to: 115 - symbol: P # 116 coordinates: [ 0.878370795000000, 0.122692270000000, 0.853663070000000 ] mass: 30.973762 reduced_to: 115 - symbol: P # 117 coordinates: [ 0.121629205000000, 0.622692270000000, 0.646336930000000 ] mass: 30.973762 reduced_to: 117 - symbol: P # 118 coordinates: [ 0.621629205000000, 0.622692270000000, 0.646336930000000 ] mass: 30.973762 reduced_to: 117 - symbol: P # 119 coordinates: [ 0.485086710000000, 0.599182850000000, 0.855118510000000 ] mass: 30.973762 reduced_to: 119 - symbol: P # 120 coordinates: [ 0.985086710000000, 0.599182850000000, 0.855118510000000 ] mass: 30.973762 reduced_to: 119 - symbol: P # 121 coordinates: [ 0.014913290000000, 0.099182850000000, 0.644881490000000 ] mass: 30.973762 reduced_to: 121 - symbol: P # 122 coordinates: [ 0.514913290000000, 0.099182850000000, 0.644881490000000 ] mass: 30.973762 reduced_to: 121 - symbol: P # 123 coordinates: [ 0.014913290000000, 0.400817150000000, 0.144881490000000 ] mass: 30.973762 reduced_to: 123 - symbol: P # 124 coordinates: [ 0.514913290000000, 0.400817150000000, 0.144881490000000 ] mass: 30.973762 reduced_to: 123 - symbol: P # 125 coordinates: [ 0.485086710000000, 0.900817150000000, 0.355118510000000 ] mass: 30.973762 reduced_to: 125 - symbol: P # 126 coordinates: [ 0.985086710000000, 0.900817150000000, 0.355118510000000 ] mass: 30.973762 reduced_to: 125 - symbol: P # 127 coordinates: [ 0.226475055000000, 0.249367100000000, 0.987764140000000 ] mass: 30.973762 reduced_to: 127 - symbol: P # 128 coordinates: [ 0.726475055000000, 0.249367100000000, 0.987764140000000 ] mass: 30.973762 reduced_to: 127 - symbol: Zr # 129 coordinates: [ 0.071897625000000, 0.545243230000000, 0.389305100000000 ] mass: 91.224000 reduced_to: 129 - symbol: Zr # 130 coordinates: [ 0.571897625000000, 0.545243230000000, 0.389305100000000 ] mass: 91.224000 reduced_to: 129 - symbol: Zr # 131 coordinates: [ 0.185329775000000, 0.524903060000000, 0.121823480000000 ] mass: 91.224000 reduced_to: 131 - symbol: Zr # 132 coordinates: [ 0.685329775000000, 0.524903060000000, 0.121823480000000 ] mass: 91.224000 reduced_to: 131 - symbol: Zr # 133 coordinates: [ 0.314670225000000, 0.024903060000000, 0.378176520000000 ] mass: 91.224000 reduced_to: 133 - symbol: Zr # 134 coordinates: [ 0.814670225000000, 0.024903060000000, 0.378176520000000 ] mass: 91.224000 reduced_to: 133 - symbol: Zr # 135 coordinates: [ 0.314670225000000, 0.475096940000000, 0.878176520000000 ] mass: 91.224000 reduced_to: 135 - symbol: Zr # 136 coordinates: [ 0.814670225000000, 0.475096940000000, 0.878176520000000 ] mass: 91.224000 reduced_to: 135 - symbol: Zr # 137 coordinates: [ 0.185329775000000, 0.975096940000000, 0.621823480000000 ] mass: 91.224000 reduced_to: 137 - symbol: Zr # 138 coordinates: [ 0.685329775000000, 0.975096940000000, 0.621823480000000 ] mass: 91.224000 reduced_to: 137 - symbol: Zr # 139 coordinates: [ 0.071897625000000, 0.954756770000000, 0.889305100000000 ] mass: 91.224000 reduced_to: 139 - symbol: Zr # 140 coordinates: [ 0.571897625000000, 0.954756770000000, 0.889305100000000 ] mass: 91.224000 reduced_to: 139 - symbol: Zr # 141 coordinates: [ 0.428102375000000, 0.454756770000000, 0.610694900000000 ] mass: 91.224000 reduced_to: 141 - symbol: Zr # 142 coordinates: [ 0.928102375000000, 0.454756770000000, 0.610694900000000 ] mass: 91.224000 reduced_to: 141 - symbol: Zr # 143 coordinates: [ 0.428102375000000, 0.045243230000000, 0.110694900000000 ] mass: 91.224000 reduced_to: 143 - symbol: Zr # 144 coordinates: [ 0.928102375000000, 0.045243230000000, 0.110694900000000 ] mass: 91.224000 reduced_to: 143displacements:- atom: 1 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0245655400000000, -0.0040808100000000, -0.0006607900000000 ] - [ 0.0002146600000000, 0.0000218600000000, 0.0000108800000000 ] - [ 0.0003285400000000, 0.0000106600000000, 0.0000139300000000 ] - [ -0.0004600600000000, 0.0003572800000000, 0.0001439400000000 ] - [ 0.0001776000000000, 0.0000106600000000, 0.0002304800000000 ] - [ 0.0001039900000000, -0.0000037900000000, -0.0002914900000000 ] - [ -0.0000002100000000, 0.0000266100000000, -0.0003430000000000 ] - [ -0.0000696000000000, -0.0000423400000000, 0.0002978400000000 ] - [ 0.0010834800000000, 0.0005072100000000, -0.0001298400000000 ] - [ 0.0003193700000000, -0.0002130000000000, -0.0001132500000000 ] - [ 0.0004157000000000, 0.0005631500000000, -0.0005445200000000 ] - [ 0.0011347500000000, 0.0001808300000000, -0.0008908100000000 ] - [ 0.0007359000000000, 0.0030943300000000, -0.0021717000000000 ] - [ -0.0013908100000000, 0.0000220000000000, 0.0012331200000000 ] - [ -0.0010808200000000, -0.0000880800000000, 0.0010975000000000 ] - [ -0.0003175300000000, -0.0008093200000000, -0.0003496400000000 ] - [ 0.0006931000000000, 0.0001347200000000, -0.0010780600000000 ] - [ -0.0004992000000000, -0.0015350700000000, 0.0001218800000000 ] - [ 0.0002281800000000, -0.0001143200000000, -0.0003528900000000 ] - [ -0.0001049100000000, -0.0000681400000000, -0.0003132100000000 ] - [ 0.0001584700000000, 0.0000208400000000, 0.0001529100000000 ] - [ 0.0001098800000000, 0.0001279400000000, 0.0009440100000000 ] - [ -0.0003331800000000, -0.0000800800000000, 0.0005424400000000 ] - [ -0.0019532300000000, 0.0019186500000000, -0.0018556300000000 ] - [ 0.0006226700000000, -0.0001615600000000, 0.0006759000000000 ] - [ -0.0011627900000000, 0.0005067100000000, 0.0000828400000000 ] - [ -0.0019657100000000, -0.0015314200000000, 0.0009202500000000 ] - [ -0.0013771000000000, -0.0004335400000000, 0.0000072700000000 ] - [ -0.0007766500000000, 0.0000772600000000, -0.0001391500000000 ] - [ 0.0018738900000000, -0.0014184300000000, -0.0002122200000000 ] - [ -0.0001828700000000, 0.0000382300000000, 0.0002301000000000 ] - [ 0.0007314000000000, 0.0004842200000000, -0.0003768300000000 ] - [ 0.0006238300000000, -0.0000070100000000, -0.0004343300000000 ] - [ -0.0007518400000000, 0.0003715900000000, 0.0003564600000000 ] - [ -0.0005749200000000, -0.0004682600000000, 0.0002752100000000 ] - [ 0.0007327500000000, 0.0004810500000000, -0.0007046700000000 ] - [ -0.0033733600000000, 0.0012896500000000, -0.0011493200000000 ] - [ -0.0015827600000000, 0.0004033900000000, 0.0008387200000000 ] - [ -0.0005727700000000, -0.0000291900000000, -0.0000110900000000 ] - [ -0.0006214500000000, 0.0000846600000000, 0.0004550800000000 ] - [ -0.0002192300000000, 0.0005188200000000, 0.0001058400000000 ] - [ -0.0009000400000000, -0.0006926100000000, -0.0017055700000000 ] - [ 0.0004471700000000, 0.0002801100000000, -0.0004233100000000 ] - [ 0.0002450400000000, 0.0002644300000000, 0.0001718300000000 ] - [ 0.0004292600000000, 0.0000743700000000, 0.0000774000000000 ] - [ 0.0002820000000000, 0.0001235800000000, -0.0005090900000000 ] - [ -0.0013463700000000, -0.0004760200000000, 0.0002683900000000 ] - [ -0.0071055600000000, -0.0009053900000000, 0.0015803000000000 ] - [ -0.0005994600000000, 0.0000884900000000, -0.0006824600000000 ] - [ -0.0023440200000000, 0.0016020600000000, 0.0028140400000000 ] - [ -0.0001395200000000, 0.0000991800000000, 0.0017126900000000 ] - [ 0.0003120200000000, 0.0003153700000000, -0.0001965600000000 ] - [ 0.0014242600000000, -0.0002932900000000, 0.0005997900000000 ] - [ -0.0001665800000000, -0.0001733600000000, 0.0010621600000000 ] - [ -0.0002390600000000, -0.0001757600000000, -0.0009634500000000 ] - [ -0.0000637900000000, 0.0000040100000000, -0.0000737000000000 ] - [ -0.0002011300000000, -0.0000841200000000, -0.0007196300000000 ] - [ 0.0001567400000000, -0.0005469600000000, 0.0003152400000000 ] - [ -0.0002010100000000, -0.0003405200000000, 0.0007278200000000 ] - [ -0.0001092200000000, -0.0004513100000000, -0.0000219800000000 ] - [ 0.0011381800000000, -0.0014604800000000, 0.0005759600000000 ] - [ -0.0005321000000000, 0.0006881400000000, 0.0003359100000000 ] - [ -0.0002411000000000, 0.0001525000000000, -0.0004165200000000 ] - [ 0.0060069300000000, 0.0016872300000000, -0.0013249800000000 ] - [ -0.0028671000000000, -0.0014810600000000, -0.0025082700000000 ] - [ -0.0010324600000000, -0.0004453600000000, -0.0002127400000000 ] - [ 0.0003512500000000, -0.0004488900000000, 0.0005919400000000 ] - [ 0.0005459900000000, -0.0003223900000000, 0.0002111800000000 ] - [ -0.0002524400000000, 0.0002073000000000, -0.0000077500000000 ] - [ 0.0007200300000000, -0.0015247400000000, 0.0030660600000000 ] - [ -0.0007716800000000, 0.0005540700000000, -0.0004804300000000 ] - [ 0.0008834000000000, 0.0000040700000000, -0.0009901900000000 ] - [ 0.0004202400000000, 0.0005996000000000, 0.0006696900000000 ] - [ -0.0009781900000000, -0.0001801300000000, 0.0001371900000000 ] - [ 0.0001809900000000, 0.0002621100000000, -0.0005175000000000 ] - [ 0.0001574000000000, 0.0001558900000000, -0.0000237800000000 ] - [ -0.0006770900000000, -0.0005005500000000, -0.0003420600000000 ] - [ 0.0098938800000000, 0.0002063500000000, 0.0005921200000000 ] - [ 0.0002370100000000, 0.0002000400000000, 0.0007387400000000 ] - [ -0.0011509300000000, 0.0000472600000000, 0.0000081800000000 ] - [ 0.0004329400000000, -0.0002233700000000, -0.0008050700000000 ] - [ -0.0000381500000000, 0.0004620800000000, 0.0012618300000000 ] - [ -0.0004246100000000, -0.0002581100000000, 0.0009685400000000 ] - [ -0.0003096500000000, 0.0002849000000000, -0.0007522900000000 ] - [ 0.0010111100000000, -0.0025803600000000, -0.0004603300000000 ] - [ -0.0006654800000000, -0.0000101600000000, 0.0000110600000000 ] - [ -0.0000665200000000, -0.0001799900000000, 0.0002827000000000 ] - [ 0.0057668300000000, 0.0028840200000000, -0.0007444800000000 ] - [ -0.0001622700000000, -0.0008138500000000, -0.0002823700000000 ] - [ -0.0004419000000000, -0.0005347700000000, 0.0002444200000000 ] - [ 0.0000470700000000, -0.0006345100000000, 0.0002690700000000 ] - [ -0.0000123500000000, -0.0009472400000000, -0.0004312300000000 ] - [ 0.0084384000000000, -0.0003682600000000, 0.0026382800000000 ] - [ -0.0006426100000000, 0.0011393400000000, -0.0001359600000000 ] - [ -0.0004051100000000, 0.0005336600000000, -0.0000680500000000 ] - [ 0.0007334200000000, 0.0013143100000000, -0.0000232600000000 ] - [ -0.0005984100000000, -0.0000908100000000, -0.0005794700000000 ] - [ 0.0002715300000000, -0.0003329400000000, 0.0021320100000000 ] - [ -0.0000142400000000, -0.0002738600000000, 0.0005547600000000 ] - [ -0.0004376300000000, 0.0000036700000000, -0.0015448900000000 ] - [ 0.0017375000000000, -0.0002357800000000, 0.0012797900000000 ] - [ -0.0004928500000000, 0.0000918700000000, -0.0006155500000000 ] - [ 0.0013951300000000, 0.0001618100000000, 0.0006588400000000 ] - [ -0.0003772800000000, 0.0000318500000000, 0.0002669700000000 ] - [ 0.0001313100000000, -0.0001375500000000, -0.0006901400000000 ] - [ -0.0011309600000000, 0.0005145700000000, 0.0014990600000000 ] - [ -0.0000602100000000, -0.0000006100000000, 0.0010258600000000 ] - [ 0.0017529200000000, 0.0006875200000000, -0.0005328400000000 ] - [ 0.0064782200000000, -0.0010311700000000, 0.0097210200000000 ] - [ 0.0015349700000000, -0.0005976000000000, -0.0010137800000000 ] - [ 0.0002626000000000, 0.0000837900000000, 0.0002346800000000 ] - [ 0.0003021900000000, -0.0000175400000000, -0.0013003600000000 ] - [ -0.0012113300000000, -0.0001094600000000, 0.0000579100000000 ] - [ 0.0005542200000000, 0.0002565300000000, 0.0000948000000000 ] - [ 0.0000795400000000, -0.0006192200000000, -0.0010449400000000 ] - [ 0.0009926400000000, 0.0001950900000000, 0.0017919400000000 ] - [ 0.0014875500000000, 0.0004700300000000, -0.0003853000000000 ] - [ 0.0112002000000000, -0.0091105800000000, -0.0029655700000000 ] - [ 0.0022940800000000, 0.0068216900000000, -0.0057829800000000 ] - [ 0.0014952100000000, 0.0000811900000000, -0.0004311600000000 ] - [ 0.0009855500000000, 0.0000538200000000, 0.0006607800000000 ] - [ -0.0032787000000000, 0.0044830800000000, -0.0001890100000000 ] - [ -0.0002396100000000, 0.0001433100000000, 0.0019082400000000 ] - [ -0.0000145200000000, -0.0003843300000000, -0.0006344000000000 ] - [ -0.0004429400000000, 0.0002850500000000, -0.0029392400000000 ] - [ 0.0011845200000000, -0.0003947800000000, 0.0004030700000000 ] - [ 0.0009224300000000, 0.0000093800000000, -0.0001764900000000 ] - [ -0.0008510900000000, -0.0004986900000000, 0.0008473400000000 ] - [ 0.0018632900000000, 0.0013343300000000, 0.0019806400000000 ] - [ 0.0013308600000000, -0.0003593800000000, -0.0027424800000000 ] - [ -0.0001405600000000, -0.0003062600000000, -0.0000571600000000 ] - [ -0.0012305100000000, -0.0001735000000000, -0.0016521800000000 ] - [ -0.0033662900000000, -0.0019797200000000, 0.0004642700000000 ] - [ 0.0014805300000000, -0.0003308000000000, -0.0001808200000000 ] - [ 0.0018874700000000, 0.0010860500000000, -0.0008834500000000 ] - [ 0.0013108600000000, -0.0004890300000000, 0.0033362400000000 ] - [ 0.0032336500000000, -0.0017102700000000, -0.0003396600000000 ] - [ 0.0041912200000000, 0.0052137500000000, -0.0021176000000000 ] - [ 0.0010285900000000, -0.0004984500000000, 0.0007608600000000 ] - [ -0.0073215100000000, -0.0045669900000000, -0.0003172300000000 ] - [ -0.0133766900000000, 0.0044510500000000, -0.0017217600000000 ] - [ 0.0014464200000000, -0.0005518200000000, -0.0004061100000000 ] - [ 0.0003709300000000, 0.0005385700000000, -0.0018762200000000 ] - [ -0.0001464800000000, 0.0004542400000000, 0.0007180600000000 ]- atom: 1 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ 0.0245278700000000, 0.0047909700000000, 0.0008485800000000 ] - [ -0.0004334700000000, 0.0000012400000000, -0.0000270300000000 ] - [ -0.0001089100000000, 0.0000121300000000, 0.0000037700000000 ] - [ 0.0006821300000000, -0.0003360900000000, -0.0001296700000000 ] - [ 0.0000414000000000, -0.0000330500000000, -0.0002136400000000 ] - [ 0.0001137200000000, -0.0000188200000000, 0.0003075300000000 ] - [ -0.0002185900000000, -0.0000489200000000, 0.0003252400000000 ] - [ -0.0001498800000000, 0.0000197100000000, -0.0003142200000000 ] - [ 0.0001215600000000, -0.0004605300000000, -0.0002238700000000 ] - [ 0.0008828000000000, 0.0002566500000000, -0.0002358500000000 ] - [ 0.0007857800000000, 0.0004019800000000, -0.0007977400000000 ] - [ 0.0000688600000000, 0.0007859200000000, -0.0004484400000000 ] - [ -0.0019501900000000, -0.0021310500000000, 0.0035201700000000 ] - [ 0.0001845200000000, 0.0009410400000000, 0.0001134200000000 ] - [ -0.0001222200000000, -0.0008761700000000, 0.0002445100000000 ] - [ -0.0008811500000000, -0.0001577400000000, 0.0016860300000000 ] - [ 0.0005031100000000, -0.0011083700000000, -0.0002596500000000 ] - [ 0.0016943300000000, 0.0005618100000000, -0.0014579700000000 ] - [ -0.0003550100000000, 0.0001091100000000, -0.0006566800000000 ] - [ -0.0000206300000000, 0.0000598800000000, -0.0006879500000000 ] - [ -0.0000338700000000, -0.0000291700000000, 0.0008491000000000 ] - [ 0.0000180400000000, -0.0001324200000000, 0.0000695600000000 ] - [ 0.0004582900000000, 0.0000886500000000, 0.0004607700000000 ] - [ 0.0020913500000000, -0.0018926700000000, 0.0028604100000000 ] - [ -0.0016222100000000, 0.0008007400000000, -0.0002871200000000 ] - [ 0.0001556000000000, 0.0001349100000000, 0.0003078000000000 ] - [ 0.0009400500000000, 0.0008837300000000, -0.0005353700000000 ] - [ 0.0003681100000000, -0.0002067000000000, 0.0003804100000000 ] - [ 0.0017869900000000, -0.0007199600000000, -0.0002500400000000 ] - [ -0.0008290600000000, 0.0007654900000000, -0.0001834800000000 ] - [ 0.0002129300000000, 0.0001503600000000, -0.0001141800000000 ] - [ -0.0006978700000000, -0.0002957300000000, 0.0004927500000000 ] - [ -0.0006582200000000, 0.0001951500000000, 0.0003182500000000 ] - [ 0.0007186000000000, -0.0001823700000000, -0.0004696900000000 ] - [ 0.0005431200000000, 0.0002793000000000, -0.0003908100000000 ] - [ -0.0007565400000000, -0.0006649000000000, 0.0005872600000000 ] - [ 0.0034251300000000, -0.0014763000000000, 0.0012906200000000 ] - [ 0.0016011800000000, -0.0005893000000000, -0.0007160800000000 ] - [ -0.0006309100000000, 0.0000740800000000, 0.0003613500000000 ] - [ -0.0005827200000000, -0.0000397300000000, -0.0001008000000000 ] - [ 0.0000901200000000, -0.0005185500000000, -0.0011191900000000 ] - [ 0.0007682100000000, 0.0006925100000000, 0.0006906500000000 ] - [ 0.0005595000000000, 0.0003612100000000, 0.0000340600000000 ] - [ 0.0007591700000000, 0.0003761000000000, -0.0005589900000000 ] - [ 0.0007710300000000, -0.0001206300000000, -0.0004287600000000 ] - [ 0.0009210600000000, -0.0001702000000000, 0.0001562200000000 ] - [ 0.0001455800000000, 0.0004342600000000, 0.0000820500000000 ] - [ 0.0058175700000000, 0.0008700400000000, -0.0012076300000000 ] - [ 0.0001973400000000, 0.0003343300000000, -0.0007518300000000 ] - [ 0.0019514900000000, -0.0011620000000000, -0.0042429400000000 ] - [ 0.0005372700000000, 0.0003213900000000, -0.0002754500000000 ] - [ 0.0000894500000000, 0.0001058000000000, 0.0016287800000000 ] - [ -0.0010198500000000, -0.0001281000000000, 0.0008280300000000 ] - [ 0.0005654700000000, -0.0002474200000000, 0.0003781800000000 ] - [ -0.0001616100000000, -0.0002450800000000, -0.0004754000000000 ] - [ -0.0003434400000000, -0.0004263000000000, -0.0013458400000000 ] - [ 0.0004022200000000, -0.0006490000000000, 0.0000437600000000 ] - [ 0.0000467200000000, -0.0001885900000000, -0.0009889500000000 ] - [ -0.0000027500000000, -0.0003949600000000, -0.0000494200000000 ] - [ -0.0000933100000000, -0.0002833900000000, 0.0006986600000000 ] - [ -0.0013408400000000, 0.0022193900000000, 0.0000930300000000 ] - [ 0.0003291600000000, 0.0000474200000000, 0.0003415000000000 ] - [ 0.0004427200000000, 0.0005827200000000, -0.0002617100000000 ] - [ -0.0059046100000000, -0.0009987500000000, 0.0008441600000000 ] - [ 0.0020003700000000, 0.0007243000000000, 0.0016367600000000 ] - [ 0.0001850300000000, -0.0003148500000000, -0.0006459000000000 ] - [ 0.0004952300000000, -0.0003133800000000, 0.0002700500000000 ] - [ 0.0003061700000000, -0.0004413100000000, 0.0006533200000000 ] - [ 0.0004017400000000, 0.0000815000000000, 0.0007754200000000 ] - [ -0.0005665300000000, 0.0018032800000000, -0.0022834500000000 ] - [ -0.0000773900000000, 0.0002093900000000, -0.0003827700000000 ] - [ -0.0017177300000000, 0.0007511300000000, 0.0001302000000000 ] - [ -0.0010773700000000, -0.0002944400000000, -0.0001113000000000 ] - [ 0.0003133600000000, 0.0004818900000000, 0.0004212700000000 ] - [ 0.0004821200000000, 0.0000407900000000, -0.0000408100000000 ] - [ 0.0005020900000000, 0.0001481100000000, -0.0005316600000000 ] - [ 0.0013392500000000, 0.0001986800000000, -0.0002155700000000 ] - [ -0.0089738100000000, -0.0008222900000000, -0.0012090600000000 ] - [ -0.0009130200000000, -0.0005013000000000, -0.0001833900000000 ] - [ 0.0004844300000000, -0.0003497300000000, 0.0005478500000000 ] - [ 0.0002045100000000, 0.0003954900000000, 0.0009909900000000 ] - [ 0.0006746400000000, -0.0002886800000000, -0.0010715700000000 ] - [ -0.0002129900000000, 0.0004291900000000, -0.0011503000000000 ] - [ -0.0003293100000000, -0.0001139900000000, 0.0005682400000000 ] - [ -0.0016589500000000, 0.0024050100000000, 0.0002741400000000 ] - [ 0.0000268100000000, -0.0001620000000000, -0.0001983400000000 ] - [ 0.0007048900000000, 0.0000085000000000, -0.0000972800000000 ] - [ -0.0051528900000000, -0.0030502500000000, 0.0009292000000000 ] - [ -0.0000306800000000, -0.0006121500000000, 0.0002581700000000 ] - [ 0.0002515800000000, -0.0008918600000000, -0.0002661400000000 ] - [ 0.0001421000000000, -0.0007905400000000, -0.0002447300000000 ] - [ 0.0002045500000000, -0.0004784800000000, 0.0004560200000000 ] - [ -0.0085227500000000, 0.0015857500000000, -0.0029078300000000 ] - [ 0.0008294200000000, 0.0002887100000000, 0.0001600100000000 ] - [ 0.0002136100000000, 0.0008910300000000, 0.0000430000000000 ] - [ -0.0009162300000000, 0.0001207800000000, 0.0000083100000000 ] - [ 0.0007517300000000, -0.0001980500000000, 0.0013548300000000 ] - [ -0.0001177200000000, 0.0000424300000000, -0.0013477600000000 ] - [ -0.0001375100000000, -0.0000146000000000, -0.0013236300000000 ] - [ 0.0002864500000000, -0.0002916400000000, 0.0007730100000000 ] - [ -0.0018832600000000, 0.0005379800000000, -0.0020737100000000 ] - [ 0.0003422200000000, 0.0001964800000000, -0.0001527800000000 ] - [ -0.0005577900000000, 0.0005933000000000, 0.0001984600000000 ] - [ 0.0012223200000000, 0.0007294300000000, 0.0005955600000000 ] - [ -0.0008563200000000, 0.0006088200000000, 0.0003475000000000 ] - [ 0.0003943800000000, -0.0000366000000000, -0.0018391100000000 ] - [ 0.0007982200000000, 0.0004820500000000, -0.0006813600000000 ] - [ -0.0010231600000000, -0.0002116700000000, 0.0008713700000000 ] - [ -0.0071839300000000, 0.0004915400000000, -0.0101429000000000 ] - [ -0.0022516700000000, 0.0001196600000000, 0.0006609900000000 ] - [ -0.0000387800000000, 0.0000603100000000, -0.0008987500000000 ] - [ -0.0000761300000000, 0.0001603400000000, 0.0006188800000000 ] - [ 0.0009807900000000, 0.0002503100000000, 0.0006186400000000 ] - [ -0.0007770400000000, -0.0001116400000000, 0.0005683100000000 ] - [ -0.0002910400000000, 0.0004829400000000, 0.0017201200000000 ] - [ -0.0012114000000000, -0.0003331200000000, -0.0011140700000000 ] - [ -0.0012649000000000, -0.0006190100000000, -0.0002828700000000 ] - [ -0.0109664600000000, 0.0087805500000000, 0.0022629400000000 ] - [ -0.0015593600000000, -0.0066119700000000, 0.0044700600000000 ] - [ -0.0007906700000000, 0.0001060200000000, -0.0009010800000000 ] - [ -0.0016895400000000, 0.0001331800000000, 0.0006753000000000 ] - [ 0.0025037500000000, -0.0043376400000000, 0.0015663800000000 ] - [ -0.0004621300000000, -0.0003310400000000, -0.0005705300000000 ] - [ -0.0006841700000000, 0.0001961300000000, 0.0019669800000000 ] - [ 0.0011331400000000, -0.0004727100000000, 0.0015906600000000 ] - [ -0.0004832800000000, 0.0002055700000000, -0.0017445300000000 ] - [ -0.0001956200000000, -0.0004806600000000, 0.0005217600000000 ] - [ 0.0015627000000000, 0.0000213000000000, -0.0005085200000000 ] - [ -0.0016209000000000, -0.0004195800000000, -0.0009705400000000 ] - [ -0.0010957000000000, 0.0012706700000000, 0.0037410700000000 ] - [ -0.0003509000000000, -0.0004584100000000, -0.0004855500000000 ] - [ 0.0007352400000000, -0.0005890900000000, 0.0010931600000000 ] - [ 0.0038652100000000, 0.0012190200000000, 0.0001050600000000 ] - [ -0.0009862300000000, -0.0004322900000000, 0.0007202400000000 ] - [ -0.0013898400000000, -0.0003212100000000, 0.0014328000000000 ] - [ -0.0008222000000000, 0.0012480200000000, -0.0027789500000000 ] - [ -0.0037461900000000, 0.0024938600000000, -0.0002047500000000 ] - [ -0.0046544300000000, -0.0043865200000000, 0.0015520700000000 ] - [ -0.0007895800000000, -0.0004171700000000, 0.0002544500000000 ] - [ 0.0075779400000000, 0.0036208100000000, 0.0012499800000000 ] - [ 0.0131693400000000, -0.0053130200000000, 0.0007355000000000 ] - [ -0.0016799100000000, -0.0003646500000000, -0.0006042500000000 ] - [ -0.0006053000000000, 0.0003765900000000, 0.0008639100000000 ] - [ -0.0000943300000000, 0.0004616000000000, -0.0017273700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0048207400000000, -0.0532994100000000, -0.0147320400000000 ] - [ -0.0000992900000000, -0.0000217000000000, -0.0000085500000000 ] - [ 0.0001105600000000, 0.0000547600000000, -0.0000004700000000 ] - [ -0.0002361000000000, 0.0016799000000000, 0.0001013300000000 ] - [ 0.0001311100000000, 0.0000605800000000, 0.0000600900000000 ] - [ 0.0001175600000000, 0.0001827500000000, -0.0000046700000000 ] - [ -0.0001473700000000, -0.0001206700000000, 0.0000188300000000 ] - [ -0.0000792500000000, -0.0001021000000000, 0.0000730700000000 ] - [ 0.0002943500000000, -0.0014787800000000, -0.0000188500000000 ] - [ 0.0005152700000000, -0.0000896800000000, -0.0002107900000000 ] - [ 0.0006711000000000, 0.0003641500000000, -0.0007322400000000 ] - [ 0.0006402900000000, -0.0000795000000000, -0.0009664500000000 ] - [ 0.0004700100000000, 0.0033407500000000, -0.0003553000000000 ] - [ -0.0005441800000000, 0.0006289100000000, 0.0006289100000000 ] - [ -0.0006777900000000, -0.0003852000000000, 0.0007510600000000 ] - [ -0.0009810500000000, 0.0002227000000000, 0.0011791900000000 ] - [ 0.0005182400000000, -0.0010353000000000, -0.0005137200000000 ] - [ 0.0002231000000000, -0.0008250400000000, -0.0004197300000000 ] - [ -0.0001484400000000, -0.0000749800000000, -0.0011660200000000 ] - [ -0.0001147000000000, 0.0000218200000000, -0.0005915700000000 ] - [ 0.0004115300000000, 0.0002992600000000, 0.0012358700000000 ] - [ -0.0000325100000000, -0.0000832800000000, 0.0000225800000000 ] - [ -0.0000375400000000, 0.0000049000000000, 0.0005779100000000 ] - [ 0.0033555500000000, -0.0005862300000000, 0.0027327900000000 ] - [ -0.0010232300000000, 0.0007177900000000, 0.0007119000000000 ] - [ -0.0006128700000000, 0.0003837300000000, 0.0001722700000000 ] - [ -0.0012593700000000, 0.0000877600000000, 0.0007348500000000 ] - [ -0.0001937300000000, -0.0002253300000000, 0.0002628200000000 ] - [ 0.0004958300000000, -0.0003191000000000, -0.0001784600000000 ] - [ -0.0039487200000000, -0.0013168400000000, 0.0011600300000000 ] - [ 0.0000857400000000, 0.0001976900000000, 0.0000355300000000 ] - [ 0.0000729100000000, 0.0005599600000000, -0.0001324200000000 ] - [ 0.0008448000000000, -0.0008057700000000, -0.0002915300000000 ] - [ -0.0000002900000000, -0.0000179600000000, -0.0000360100000000 ] - [ -0.0000743100000000, -0.0002205700000000, -0.0000067800000000 ] - [ -0.0006330400000000, -0.0008423900000000, 0.0002199900000000 ] - [ -0.0008884700000000, 0.0019451200000000, 0.0006352600000000 ] - [ -0.0003477300000000, 0.0003797400000000, 0.0002495900000000 ] - [ -0.0006405400000000, 0.0002969000000000, 0.0001911000000000 ] - [ -0.0006421000000000, 0.0004527800000000, 0.0000508600000000 ] - [ 0.0005476200000000, 0.0000587200000000, -0.0001344200000000 ] - [ -0.0004872300000000, -0.0001333100000000, -0.0008329100000000 ] - [ 0.0005126900000000, 0.0002664900000000, -0.0002073700000000 ] - [ 0.0006313000000000, 0.0002620200000000, -0.0001842200000000 ] - [ 0.0009902100000000, -0.0008977700000000, -0.0001004200000000 ] - [ 0.0007029300000000, -0.0005142900000000, -0.0001894600000000 ] - [ -0.0005736100000000, 0.0001505100000000, 0.0002019400000000 ] - [ 0.0009884100000000, 0.0045087300000000, 0.0002744500000000 ] - [ -0.0003971700000000, 0.0002717000000000, -0.0005268300000000 ] - [ 0.0030050000000000, 0.0003651900000000, -0.0036489500000000 ] - [ 0.0007902100000000, 0.0001886300000000, 0.0002720000000000 ] - [ 0.0001104300000000, 0.0001042600000000, 0.0006922800000000 ] - [ 0.0010134000000000, -0.0017660400000000, -0.0018980400000000 ] - [ 0.0001668200000000, -0.0002389900000000, 0.0006864100000000 ] - [ -0.0002230000000000, -0.0001503200000000, -0.0005506400000000 ] - [ 0.0008370400000000, 0.0004529200000000, -0.0027151200000000 ] - [ -0.0000757800000000, -0.0000911300000000, -0.0004473400000000 ] - [ -0.0001027700000000, 0.0003340200000000, -0.0004310800000000 ] - [ -0.0001089500000000, -0.0006162300000000, 0.0002807600000000 ] - [ -0.0001789500000000, -0.0006100900000000, 0.0002891600000000 ] - [ 0.0012988900000000, -0.0075581800000000, 0.0014221400000000 ] - [ -0.0000957000000000, 0.0003099800000000, 0.0003422400000000 ] - [ 0.0001660600000000, 0.0004919700000000, -0.0003289000000000 ] - [ 0.0018968200000000, 0.0087648400000000, -0.0000414900000000 ] - [ -0.0026060300000000, -0.0002584800000000, -0.0021489600000000 ] - [ 0.0000417500000000, -0.0000677800000000, -0.0003454700000000 ] - [ 0.0005935400000000, -0.0005193400000000, 0.0005014000000000 ] - [ -0.0000151200000000, -0.0004612400000000, 0.0001723400000000 ] - [ 0.0001395600000000, 0.0001499100000000, 0.0003927800000000 ] - [ 0.0002126200000000, 0.0008138700000000, 0.0014030100000000 ] - [ -0.0004262900000000, 0.0004386300000000, -0.0004230200000000 ] - [ -0.0017992900000000, 0.0018435200000000, -0.0016873000000000 ] - [ -0.0001667700000000, -0.0002024300000000, -0.0001483300000000 ] - [ -0.0006584400000000, -0.0000158300000000, 0.0001915600000000 ] - [ 0.0003404600000000, 0.0002492300000000, -0.0002781200000000 ] - [ 0.0006417500000000, 0.0001859000000000, -0.0004822700000000 ] - [ 0.0002318200000000, -0.0001434700000000, -0.0002616300000000 ] - [ 0.0003613000000000, 0.0070047300000000, -0.0004121800000000 ] - [ 0.0017475300000000, -0.0012260800000000, -0.0003750100000000 ] - [ -0.0004707400000000, -0.0002247900000000, 0.0002466800000000 ] - [ 0.0003231100000000, 0.0000015800000000, -0.0000907600000000 ] - [ 0.0005095600000000, -0.0000217200000000, -0.0003285200000000 ] - [ -0.0004082300000000, 0.0000549400000000, 0.0000372100000000 ] - [ -0.0003170600000000, 0.0001446600000000, -0.0002278500000000 ] - [ -0.0020761100000000, -0.0016983400000000, 0.0027740400000000 ] - [ -0.0002657800000000, -0.0001145200000000, -0.0001262300000000 ] - [ 0.0003078000000000, -0.0000822900000000, 0.0001098000000000 ] - [ 0.0028892400000000, 0.0135895100000000, 0.0022661800000000 ] - [ -0.0002101300000000, -0.0011136900000000, -0.0002206600000000 ] - [ 0.0001526200000000, -0.0011451200000000, 0.0000911500000000 ] - [ 0.0002068600000000, -0.0005513700000000, 0.0000758600000000 ] - [ -0.0002011500000000, -0.0005623400000000, -0.0001653800000000 ] - [ -0.0000010600000000, 0.0083684400000000, 0.0002763600000000 ] - [ 0.0000813000000000, 0.0008065300000000, 0.0000311700000000 ] - [ -0.0001001100000000, 0.0006616900000000, -0.0000043900000000 ] - [ -0.0008494700000000, -0.0007363500000000, -0.0013085400000000 ] - [ 0.0000646500000000, -0.0000928900000000, 0.0004221700000000 ] - [ -0.0002101400000000, 0.0002102500000000, 0.0007824700000000 ] - [ -0.0000679600000000, -0.0002673600000000, -0.0003248000000000 ] - [ -0.0000092200000000, -0.0002317000000000, -0.0001450400000000 ] - [ 0.0001665400000000, -0.0032818100000000, 0.0052338100000000 ] - [ -0.0000973800000000, 0.0001282700000000, -0.0004454300000000 ] - [ -0.0013895100000000, -0.0015580000000000, -0.0007285500000000 ] - [ 0.0004051000000000, 0.0002364400000000, 0.0004208700000000 ] - [ -0.0004376100000000, -0.0000092900000000, -0.0002743300000000 ] - [ 0.0008069200000000, -0.0015496400000000, 0.0002314200000000 ] - [ 0.0006277500000000, 0.0024191800000000, 0.0011549300000000 ] - [ 0.0003730600000000, 0.0008703500000000, -0.0001709600000000 ] - [ 0.0033821600000000, -0.0080820500000000, 0.0030285500000000 ] - [ -0.0004978900000000, -0.0007632300000000, -0.0004267900000000 ] - [ -0.0000507300000000, -0.0004035800000000, -0.0006096900000000 ] - [ -0.0001747200000000, -0.0003841400000000, 0.0008680100000000 ] - [ -0.0004559500000000, 0.0018200200000000, 0.0025483900000000 ] - [ 0.0001501500000000, 0.0001642700000000, 0.0004478400000000 ] - [ -0.0024615300000000, 0.0008303900000000, 0.0004360300000000 ] - [ 0.0002418300000000, 0.0005602100000000, 0.0005608800000000 ] - [ 0.0003279700000000, -0.0002935200000000, -0.0005193700000000 ] - [ -0.0136543300000000, -0.0044007600000000, 0.0003878900000000 ] - [ 0.0039083200000000, -0.0025462500000000, -0.0075941100000000 ] - [ 0.0000429300000000, 0.0000182400000000, -0.0006463300000000 ] - [ -0.0003499000000000, 0.0001582400000000, 0.0006914200000000 ] - [ 0.0058363100000000, 0.0186100600000000, -0.0051481200000000 ] - [ -0.0003474000000000, 0.0002134200000000, 0.0006726100000000 ] - [ -0.0005089000000000, 0.0002932000000000, 0.0007347000000000 ] - [ 0.0010644600000000, -0.0008227900000000, -0.0013197700000000 ] - [ 0.0005097700000000, -0.0003902800000000, -0.0006170000000000 ] - [ 0.0002627200000000, 0.0000023000000000, 0.0001141400000000 ] - [ 0.0018203500000000, 0.0012738900000000, 0.0009211400000000 ] - [ 0.0012304100000000, 0.0008017000000000, 0.0010318400000000 ] - [ -0.0011076000000000, 0.0005377600000000, 0.0023921200000000 ] - [ -0.0002081800000000, -0.0005152600000000, 0.0000446900000000 ] - [ -0.0006471300000000, -0.0004145300000000, -0.0007446000000000 ] - [ -0.0018243400000000, -0.0007474400000000, -0.0048365500000000 ] - [ 0.0003765700000000, -0.0003477500000000, 0.0005832800000000 ] - [ 0.0007393400000000, 0.0010106500000000, 0.0000383300000000 ] - [ -0.0002757000000000, 0.0010616900000000, -0.0016506500000000 ] - [ -0.0006009800000000, 0.0001035000000000, -0.0008196600000000 ] - [ 0.0025159700000000, -0.0020117300000000, -0.0005132500000000 ] - [ 0.0001939700000000, -0.0005572700000000, 0.0004030700000000 ] - [ -0.0040332300000000, -0.0024885100000000, 0.0148407100000000 ] - [ 0.0043366000000000, 0.0209761100000000, 0.0063003300000000 ] - [ -0.0001063600000000, -0.0003737700000000, -0.0004595700000000 ] - [ -0.0004907800000000, 0.0005818300000000, -0.0003201100000000 ] - [ 0.0002253000000000, 0.0005778600000000, -0.0001763200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040151100000000, 0.0529482700000000, 0.0145784500000000 ] - [ -0.0001198100000000, 0.0000440100000000, -0.0000077400000000 ] - [ 0.0001090500000000, -0.0000331200000000, 0.0000169900000000 ] - [ 0.0004576200000000, -0.0016633300000000, -0.0000807500000000 ] - [ 0.0000874900000000, -0.0000844900000000, -0.0000441200000000 ] - [ 0.0001023900000000, -0.0002063200000000, 0.0000211100000000 ] - [ -0.0000715600000000, 0.0000974500000000, -0.0000358400000000 ] - [ -0.0001405600000000, 0.0000786400000000, -0.0000896400000000 ] - [ 0.0009080800000000, 0.0015187400000000, -0.0003272800000000 ] - [ 0.0006879800000000, 0.0001338200000000, -0.0001396500000000 ] - [ 0.0005304500000000, 0.0006000600000000, -0.0006090300000000 ] - [ 0.0005622700000000, 0.0010428400000000, -0.0003758700000000 ] - [ -0.0016671200000000, -0.0023653800000000, 0.0016911900000000 ] - [ -0.0006582200000000, 0.0003345000000000, 0.0007133700000000 ] - [ -0.0005245400000000, -0.0005802400000000, 0.0005913900000000 ] - [ -0.0002188600000000, -0.0011909800000000, 0.0001625400000000 ] - [ 0.0006874300000000, 0.0000720100000000, -0.0008291100000000 ] - [ 0.0009772200000000, -0.0001405000000000, -0.0009220500000000 ] - [ 0.0000231800000000, 0.0000652100000000, 0.0001629400000000 ] - [ -0.0000115600000000, -0.0000299200000000, -0.0004130100000000 ] - [ -0.0002818700000000, -0.0003035900000000, -0.0002240200000000 ] - [ 0.0001592100000000, 0.0000763800000000, 0.0009853800000000 ] - [ 0.0001638900000000, 0.0000002800000000, 0.0004275900000000 ] - [ -0.0032305400000000, 0.0005926600000000, -0.0017244100000000 ] - [ 0.0000113100000000, -0.0000730800000000, -0.0003210800000000 ] - [ -0.0003943400000000, 0.0002565000000000, 0.0002170200000000 ] - [ 0.0002446000000000, -0.0007470300000000, -0.0003476800000000 ] - [ -0.0008131900000000, -0.0004164600000000, 0.0001260700000000 ] - [ 0.0005114600000000, -0.0003223900000000, -0.0002106600000000 ] - [ 0.0049328600000000, 0.0006712400000000, -0.0015500900000000 ] - [ -0.0000557600000000, -0.0000104800000000, 0.0000811600000000 ] - [ -0.0000426600000000, -0.0003737300000000, 0.0002494200000000 ] - [ -0.0008697300000000, 0.0009920000000000, 0.0001771100000000 ] - [ -0.0000312600000000, 0.0002061500000000, -0.0000792000000000 ] - [ 0.0000433000000000, 0.0000306400000000, -0.0001084200000000 ] - [ 0.0006021900000000, 0.0006532300000000, -0.0003370300000000 ] - [ 0.0009122800000000, -0.0021274600000000, -0.0005213500000000 ] - [ 0.0003786800000000, -0.0005682100000000, -0.0001345500000000 ] - [ -0.0005624300000000, -0.0002515700000000, 0.0001601800000000 ] - [ -0.0005619700000000, -0.0004084500000000, 0.0003010100000000 ] - [ -0.0006725100000000, -0.0000511900000000, -0.0008703400000000 ] - [ 0.0003593600000000, 0.0001393600000000, -0.0001744600000000 ] - [ 0.0004958400000000, 0.0003736000000000, -0.0001812700000000 ] - [ 0.0003747100000000, 0.0003775100000000, -0.0002043800000000 ] - [ 0.0002164900000000, 0.0008506500000000, -0.0002515700000000 ] - [ 0.0005004300000000, 0.0004680600000000, -0.0001619800000000 ] - [ -0.0006306500000000, -0.0001959500000000, 0.0001490400000000 ] - [ -0.0021797000000000, -0.0045557200000000, 0.0000716600000000 ] - [ -0.0000038800000000, 0.0001481800000000, -0.0009101500000000 ] - [ -0.0034096700000000, 0.0000558000000000, 0.0022112800000000 ] - [ -0.0003879000000000, 0.0002324100000000, 0.0011633700000000 ] - [ 0.0002903500000000, 0.0003160200000000, 0.0007444600000000 ] - [ -0.0006144400000000, 0.0013420600000000, 0.0033413800000000 ] - [ 0.0002333400000000, -0.0001829200000000, 0.0007513700000000 ] - [ -0.0001777700000000, -0.0002714400000000, -0.0008840700000000 ] - [ -0.0012375100000000, -0.0008710700000000, 0.0012806900000000 ] - [ 0.0002777600000000, -0.0006446500000000, -0.0002299500000000 ] - [ 0.0003042200000000, -0.0010689700000000, -0.0002460300000000 ] - [ -0.0000943400000000, -0.0001205500000000, 0.0003971000000000 ] - [ -0.0000229500000000, -0.0001257000000000, 0.0003883900000000 ] - [ -0.0015064500000000, 0.0082967300000000, -0.0007577900000000 ] - [ -0.0001070400000000, 0.0004246900000000, 0.0003355600000000 ] - [ 0.0000366200000000, 0.0002428400000000, -0.0003483400000000 ] - [ -0.0016717900000000, -0.0080061000000000, -0.0006564500000000 ] - [ 0.0017479300000000, -0.0005053100000000, 0.0012779100000000 ] - [ -0.0008900100000000, -0.0006960100000000, -0.0005169600000000 ] - [ 0.0002538600000000, -0.0002441500000000, 0.0003612600000000 ] - [ 0.0008629600000000, -0.0003014700000000, 0.0006894200000000 ] - [ 0.0000115600000000, 0.0001373300000000, 0.0003782400000000 ] - [ -0.0000609500000000, -0.0005448800000000, -0.0006311000000000 ] - [ -0.0004214300000000, 0.0003232100000000, -0.0004390300000000 ] - [ 0.0009537200000000, -0.0010778700000000, 0.0008289000000000 ] - [ -0.0004994700000000, 0.0005021200000000, 0.0007066900000000 ] - [ -0.0000055200000000, 0.0003167100000000, 0.0003663100000000 ] - [ 0.0003257700000000, 0.0000527000000000, -0.0002793200000000 ] - [ 0.0000205000000000, 0.0001168700000000, -0.0000751800000000 ] - [ 0.0004314000000000, -0.0001601500000000, -0.0002962200000000 ] - [ 0.0007122700000000, -0.0078506600000000, -0.0002582000000000 ] - [ -0.0024061700000000, 0.0009246100000000, 0.0009263000000000 ] - [ -0.0001933000000000, -0.0000787900000000, 0.0003110600000000 ] - [ 0.0003152600000000, 0.0001690000000000, 0.0002763500000000 ] - [ 0.0001277000000000, 0.0001928300000000, 0.0005157100000000 ] - [ -0.0002308000000000, 0.0001162200000000, -0.0002227000000000 ] - [ -0.0003209800000000, 0.0000261300000000, 0.0000418700000000 ] - [ 0.0014652900000000, 0.0015369500000000, -0.0029969900000000 ] - [ -0.0003721300000000, -0.0000583300000000, -0.0000599800000000 ] - [ 0.0003305200000000, -0.0000901500000000, 0.0000767500000000 ] - [ -0.0019790100000000, -0.0125471600000000, -0.0016945000000000 ] - [ 0.0000234400000000, -0.0003164600000000, 0.0001985500000000 ] - [ -0.0003438100000000, -0.0002819400000000, -0.0001150500000000 ] - [ -0.0000171700000000, -0.0008744300000000, -0.0000516800000000 ] - [ 0.0003934600000000, -0.0008634300000000, 0.0001909800000000 ] - [ 0.0000663100000000, -0.0070694000000000, -0.0003921700000000 ] - [ 0.0001081400000000, 0.0006185900000000, -0.0000077400000000 ] - [ -0.0000898100000000, 0.0007633700000000, -0.0000191400000000 ] - [ 0.0006614800000000, 0.0021671300000000, 0.0012850400000000 ] - [ 0.0000855100000000, -0.0001957600000000, 0.0003473800000000 ] - [ 0.0003593200000000, -0.0004974100000000, -0.0000130900000000 ] - [ -0.0000827200000000, -0.0000224500000000, -0.0004440500000000 ] - [ -0.0001406400000000, -0.0000581500000000, -0.0006238700000000 ] - [ -0.0003209000000000, 0.0035402400000000, -0.0059564500000000 ] - [ -0.0000531500000000, 0.0001591100000000, -0.0003237800000000 ] - [ 0.0022422300000000, 0.0023165200000000, 0.0015938900000000 ] - [ 0.0004416000000000, 0.0005248800000000, 0.0004411100000000 ] - [ -0.0002873900000000, 0.0004805700000000, -0.0000705900000000 ] - [ -0.0015379000000000, 0.0020248700000000, -0.0005807300000000 ] - [ 0.0000885400000000, -0.0019453200000000, -0.0008123100000000 ] - [ 0.0003549600000000, -0.0003984200000000, 0.0005140600000000 ] - [ -0.0040597000000000, 0.0075859200000000, -0.0033230300000000 ] - [ -0.0002275000000000, 0.0002909800000000, 0.0000833000000000 ] - [ 0.0002703500000000, 0.0005430500000000, -0.0000610700000000 ] - [ 0.0004000400000000, 0.0005263900000000, -0.0015409200000000 ] - [ 0.0002356000000000, -0.0016704400000000, -0.0018856500000000 ] - [ -0.0003730300000000, -0.0000219100000000, 0.0002190100000000 ] - [ 0.0022310100000000, -0.0009765400000000, 0.0002330200000000 ] - [ -0.0004637200000000, -0.0007034300000000, 0.0001085000000000 ] - [ -0.0001042800000000, 0.0001500900000000, -0.0001488300000000 ] - [ 0.0138606600000000, 0.0042701400000000, -0.0010546500000000 ] - [ -0.0032194800000000, 0.0028412900000000, 0.0062993200000000 ] - [ 0.0006584000000000, 0.0001683100000000, -0.0006896400000000 ] - [ -0.0003524700000000, 0.0000281700000000, 0.0006440500000000 ] - [ -0.0064812200000000, -0.0182878800000000, 0.0065407600000000 ] - [ -0.0003565300000000, -0.0004009100000000, 0.0006626100000000 ] - [ -0.0001919400000000, -0.0004809800000000, 0.0005997700000000 ] - [ -0.0003591100000000, 0.0006324900000000, -0.0000158500000000 ] - [ 0.0001924900000000, 0.0002012600000000, -0.0007186500000000 ] - [ 0.0004633000000000, -0.0004753500000000, 0.0002284600000000 ] - [ -0.0010956600000000, -0.0017477800000000, -0.0005747200000000 ] - [ -0.0009906500000000, 0.0001180700000000, -0.0000191400000000 ] - [ 0.0013458100000000, 0.0003790700000000, -0.0013794800000000 ] - [ -0.0002848200000000, -0.0002498300000000, -0.0005939900000000 ] - [ 0.0001554500000000, -0.0003483000000000, 0.0001951000000000 ] - [ 0.0023015400000000, -0.0000362300000000, 0.0053474300000000 ] - [ 0.0001160900000000, -0.0004181900000000, -0.0000383800000000 ] - [ -0.0002463200000000, -0.0002418900000000, 0.0005084300000000 ] - [ 0.0007668700000000, -0.0002938800000000, 0.0021980300000000 ] - [ 0.0001094000000000, 0.0006521900000000, 0.0002724300000000 ] - [ -0.0030021900000000, 0.0027545900000000, -0.0000305700000000 ] - [ 0.0000433000000000, -0.0003593200000000, 0.0006071300000000 ] - [ 0.0042584900000000, 0.0015085300000000, -0.0137828700000000 ] - [ -0.0046168700000000, -0.0220865000000000, -0.0074471900000000 ] - [ -0.0001292500000000, -0.0005422100000000, -0.0005511800000000 ] - [ 0.0002549700000000, 0.0003320900000000, -0.0006910600000000 ] - [ -0.0004641100000000, 0.0003355500000000, -0.0008353000000000 ]- atom: 1 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ 0.0136165800000000, -0.0092887200000000, -0.0280012300000000 ] - [ -0.0002797000000000, 0.0000052000000000, -0.0000245800000000 ] - [ -0.0000119200000000, 0.0000190600000000, 0.0000004000000000 ] - [ 0.0005513100000000, -0.0002641700000000, -0.0004203500000000 ] - [ 0.0002521800000000, 0.0000190300000000, 0.0000603500000000 ] - [ -0.0001337200000000, -0.0000256800000000, 0.0003523300000000 ] - [ -0.0004464400000000, -0.0000549800000000, 0.0004505100000000 ] - [ 0.0001178800000000, -0.0000598000000000, 0.0001030200000000 ] - [ 0.0007090800000000, 0.0003705700000000, -0.0006107200000000 ] - [ 0.0006043400000000, 0.0001786700000000, -0.0003939600000000 ] - [ 0.0010233200000000, 0.0001921600000000, -0.0010856300000000 ] - [ -0.0001023100000000, 0.0007861300000000, -0.0007932100000000 ] - [ -0.0022944400000000, 0.0004065700000000, 0.0003996000000000 ] - [ 0.0000475700000000, 0.0009307500000000, 0.0001193400000000 ] - [ 0.0002322200000000, -0.0010859400000000, 0.0001121000000000 ] - [ -0.0019331900000000, 0.0006472800000000, 0.0014282100000000 ] - [ -0.0000136100000000, -0.0010474600000000, -0.0000405900000000 ] - [ 0.0014146900000000, 0.0002402100000000, -0.0011424500000000 ] - [ -0.0003380800000000, 0.0002490100000000, -0.0013947800000000 ] - [ -0.0005219400000000, 0.0004382600000000, -0.0016133600000000 ] - [ -0.0004789700000000, -0.0003183500000000, -0.0005641100000000 ] - [ -0.0001855600000000, -0.0004264800000000, -0.0008807400000000 ] - [ 0.0006887200000000, -0.0002508800000000, 0.0013253900000000 ] - [ 0.0023225400000000, -0.0015456300000000, 0.0031757800000000 ] - [ 0.0001320200000000, 0.0007861000000000, -0.0007635400000000 ] - [ -0.0005419500000000, 0.0003193100000000, 0.0001168700000000 ] - [ 0.0039199300000000, 0.0027815600000000, -0.0004665100000000 ] - [ -0.0003234600000000, -0.0003292400000000, 0.0003431800000000 ] - [ 0.0008132700000000, -0.0003865600000000, -0.0001464700000000 ] - [ -0.0008833100000000, 0.0000264500000000, 0.0011873300000000 ] - [ 0.0005249400000000, 0.0002916800000000, -0.0003731200000000 ] - [ -0.0006903600000000, 0.0002248200000000, -0.0002599600000000 ] - [ -0.0010097600000000, 0.0006784900000000, 0.0002084000000000 ] - [ 0.0006381000000000, -0.0002008900000000, -0.0004753200000000 ] - [ 0.0009321900000000, 0.0005126100000000, -0.0005312000000000 ] - [ -0.0012631800000000, -0.0007734100000000, 0.0005410400000000 ] - [ -0.0009370700000000, 0.0008501900000000, 0.0017335100000000 ] - [ 0.0011517100000000, -0.0004251100000000, -0.0004197600000000 ] - [ -0.0006861700000000, -0.0000963000000000, -0.0000556000000000 ] - [ -0.0003902600000000, -0.0000650700000000, -0.0005497000000000 ] - [ 0.0007931100000000, 0.0001175500000000, 0.0003273200000000 ] - [ 0.0004601100000000, 0.0005181300000000, 0.0005816500000000 ] - [ 0.0002733700000000, 0.0002631000000000, -0.0002403300000000 ] - [ 0.0014065800000000, 0.0006011300000000, -0.0008182100000000 ] - [ 0.0012178300000000, -0.0000671900000000, -0.0001979700000000 ] - [ 0.0006058100000000, 0.0000718000000000, 0.0001169000000000 ] - [ -0.0004432700000000, -0.0000522500000000, 0.0004001800000000 ] - [ 0.0038664300000000, 0.0009165200000000, 0.0005234300000000 ] - [ -0.0003806500000000, 0.0002877400000000, -0.0001711300000000 ] - [ 0.0016261100000000, -0.0007755000000000, -0.0028581100000000 ] - [ 0.0010351300000000, 0.0003629100000000, -0.0003486100000000 ] - [ -0.0000877100000000, 0.0001171400000000, 0.0013867600000000 ] - [ -0.0001612400000000, -0.0006391700000000, 0.0004642900000000 ] - [ 0.0003615300000000, -0.0002482700000000, 0.0002112500000000 ] - [ -0.0001313700000000, -0.0001814500000000, -0.0011387900000000 ] - [ 0.0005684000000000, -0.0003967500000000, -0.0033964900000000 ] - [ -0.0001136600000000, -0.0001507700000000, -0.0004148900000000 ] - [ 0.0006009100000000, -0.0005315800000000, -0.0009764000000000 ] - [ 0.0002739100000000, -0.0001887500000000, -0.0001670100000000 ] - [ -0.0003425200000000, -0.0006236800000000, 0.0002768100000000 ] - [ -0.0006024300000000, -0.0008533900000000, 0.0022417500000000 ] - [ 0.0000872000000000, 0.0002270300000000, 0.0003390900000000 ] - [ 0.0002608100000000, 0.0004744600000000, -0.0003243200000000 ] - [ -0.0047773400000000, 0.0002889400000000, 0.0061764500000000 ] - [ -0.0017471500000000, -0.0007541000000000, -0.0010177000000000 ] - [ 0.0002916000000000, -0.0002028000000000, -0.0005220200000000 ] - [ 0.0007971000000000, -0.0004156500000000, 0.0002665200000000 ] - [ -0.0005087800000000, -0.0001964100000000, 0.0000713700000000 ] - [ 0.0001608900000000, 0.0001287000000000, 0.0003051000000000 ] - [ -0.0005122400000000, 0.0033904400000000, -0.0039390900000000 ] - [ 0.0000122900000000, 0.0001915600000000, -0.0004082200000000 ] - [ -0.0030989500000000, 0.0011137700000000, -0.0021530700000000 ] - [ -0.0000853500000000, 0.0000968000000000, -0.0001115900000000 ] - [ -0.0007812500000000, 0.0000653000000000, 0.0001112500000000 ] - [ -0.0003366600000000, 0.0002773600000000, -0.0004690700000000 ] - [ 0.0012786600000000, -0.0000947300000000, -0.0007887000000000 ] - [ 0.0008445200000000, -0.0000604000000000, -0.0001303000000000 ] - [ -0.0037298500000000, -0.0003980000000000, 0.0028873600000000 ] - [ 0.0009743600000000, -0.0015042200000000, 0.0001595800000000 ] - [ 0.0000059800000000, -0.0001852900000000, 0.0004407000000000 ] - [ 0.0001651000000000, 0.0000859000000000, 0.0000677100000000 ] - [ 0.0009667100000000, -0.0003804200000000, -0.0013338300000000 ] - [ 0.0004273600000000, 0.0006548300000000, -0.0015968300000000 ] - [ -0.0004414500000000, 0.0000772800000000, -0.0001549600000000 ] - [ -0.0012183000000000, 0.0044520000000000, 0.0033781900000000 ] - [ -0.0001719300000000, -0.0001329400000000, -0.0001639400000000 ] - [ 0.0004850400000000, -0.0000327100000000, -0.0000155600000000 ] - [ -0.0034395100000000, -0.0011076800000000, 0.0085809400000000 ] - [ -0.0005716900000000, -0.0005957700000000, -0.0000787200000000 ] - [ 0.0003893200000000, -0.0010036700000000, -0.0001675200000000 ] - [ 0.0004171200000000, -0.0006874200000000, -0.0002670200000000 ] - [ -0.0009204500000000, -0.0009848700000000, -0.0004954000000000 ] - [ -0.0028690100000000, 0.0012752600000000, 0.0037366500000000 ] - [ 0.0006050400000000, 0.0004575700000000, 0.0000915700000000 ] - [ 0.0002606000000000, 0.0009012700000000, -0.0000039000000000 ] - [ -0.0015839700000000, -0.0011197000000000, -0.0004363500000000 ] - [ 0.0000815000000000, -0.0001395900000000, 0.0006127000000000 ] - [ 0.0006099800000000, 0.0001731900000000, -0.0003816300000000 ] - [ 0.0001215100000000, 0.0000454600000000, -0.0013417800000000 ] - [ -0.0001915700000000, -0.0001497200000000, -0.0001613100000000 ] - [ -0.0002929800000000, 0.0028274000000000, 0.0006530600000000 ] - [ 0.0000436800000000, 0.0001525000000000, -0.0004977400000000 ] - [ -0.0006520800000000, -0.0002194700000000, 0.0003929900000000 ] - [ 0.0009980700000000, 0.0005904000000000, 0.0005294000000000 ] - [ -0.0014146100000000, 0.0005953400000000, 0.0006152300000000 ] - [ 0.0027734800000000, -0.0014537000000000, 0.0008753300000000 ] - [ 0.0018179400000000, 0.0004033400000000, -0.0005042100000000 ] - [ -0.0008846500000000, 0.0000844300000000, 0.0006969300000000 ] - [ 0.0051273100000000, -0.0010065100000000, -0.0013608900000000 ] - [ -0.0018880000000000, -0.0001950500000000, 0.0004632800000000 ] - [ 0.0008821700000000, 0.0003821500000000, 0.0005444700000000 ] - [ -0.0009521800000000, 0.0003096700000000, 0.0026485800000000 ] - [ -0.0002482500000000, -0.0001770200000000, 0.0016514600000000 ] - [ 0.0003857200000000, -0.0002897500000000, 0.0012033100000000 ] - [ -0.0024601400000000, 0.0001217100000000, 0.0008049800000000 ] - [ -0.0005060000000000, -0.0003715700000000, -0.0007790700000000 ] - [ -0.0005782700000000, 0.0001157400000000, -0.0012693600000000 ] - [ -0.0095824500000000, 0.0053578600000000, -0.0009507100000000 ] - [ -0.0066629900000000, -0.0153059900000000, 0.0054702700000000 ] - [ -0.0000282900000000, 0.0000903200000000, -0.0006338300000000 ] - [ -0.0008124200000000, 0.0001200300000000, 0.0007537300000000 ] - [ 0.0010618400000000, -0.0021586100000000, -0.0073830200000000 ] - [ 0.0000770700000000, 0.0000631500000000, 0.0006537500000000 ] - [ -0.0015076100000000, 0.0001267500000000, 0.0023152700000000 ] - [ -0.0013616600000000, -0.0006425700000000, 0.0015005300000000 ] - [ 0.0005870400000000, -0.0002538100000000, -0.0006970300000000 ] - [ -0.0006114800000000, -0.0003675400000000, 0.0008116900000000 ] - [ 0.0027008800000000, 0.0002313400000000, 0.0003695100000000 ] - [ 0.0013686700000000, 0.0005212800000000, 0.0006373200000000 ] - [ -0.0019000000000000, 0.0011898300000000, 0.0031903700000000 ] - [ -0.0004356300000000, -0.0002908800000000, 0.0007511300000000 ] - [ 0.0006513900000000, -0.0013094700000000, 0.0032406700000000 ] - [ 0.0018486100000000, -0.0020859800000000, 0.0033829000000000 ] - [ -0.0002733400000000, -0.0003989200000000, 0.0015154100000000 ] - [ -0.0030204500000000, -0.0008426600000000, 0.0008715600000000 ] - [ 0.0009127500000000, 0.0005021800000000, -0.0025170600000000 ] - [ -0.0006129400000000, 0.0007118600000000, -0.0018366800000000 ] - [ -0.0034481400000000, -0.0030500700000000, -0.0002445100000000 ] - [ -0.0005930000000000, -0.0005381300000000, 0.0005937500000000 ] - [ 0.0045036800000000, 0.0134165500000000, 0.0096269200000000 ] - [ 0.0070631100000000, 0.0051076300000000, -0.0058420700000000 ] - [ -0.0010822400000000, -0.0003539600000000, -0.0004614200000000 ] - [ -0.0016412700000000, 0.0004492600000000, 0.0012787300000000 ] - [ 0.0013368800000000, 0.0007531600000000, -0.0002801400000000 ]- atom: 1 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0133860900000000, 0.0096366700000000, 0.0267313800000000 ] - [ 0.0000604700000000, 0.0000180200000000, 0.0000088600000000 ] - [ 0.0002311800000000, 0.0000037800000000, 0.0000163600000000 ] - [ -0.0003286700000000, 0.0002829600000000, 0.0004344600000000 ] - [ -0.0000327600000000, -0.0000418200000000, -0.0000434300000000 ] - [ 0.0003525700000000, 0.0000036400000000, -0.0003358900000000 ] - [ 0.0002270200000000, 0.0000322100000000, -0.0004672400000000 ] - [ -0.0003375700000000, 0.0000369800000000, -0.0001189500000000 ] - [ 0.0004959800000000, -0.0003265200000000, 0.0002590000000000 ] - [ 0.0005980300000000, -0.0001326900000000, 0.0000435100000000 ] - [ 0.0001802000000000, 0.0007712900000000, -0.0002570500000000 ] - [ 0.0013032700000000, 0.0001805900000000, -0.0005474100000000 ] - [ 0.0011047500000000, 0.0005703800000000, 0.0009290700000000 ] - [ -0.0012528600000000, 0.0000320800000000, 0.0012245400000000 ] - [ -0.0014342100000000, 0.0001216100000000, 0.0012307100000000 ] - [ 0.0007295200000000, -0.0016107800000000, -0.0000838000000000 ] - [ 0.0012131800000000, 0.0000814200000000, -0.0013016100000000 ] - [ -0.0002142500000000, -0.0012063000000000, -0.0001999500000000 ] - [ 0.0002130500000000, -0.0002556400000000, 0.0003883500000000 ] - [ 0.0003943900000000, -0.0004451600000000, 0.0006075300000000 ] - [ 0.0006065000000000, 0.0003112900000000, 0.0015701300000000 ] - [ 0.0003100900000000, 0.0004188200000000, 0.0018858800000000 ] - [ -0.0005618900000000, 0.0002572200000000, -0.0003169500000000 ] - [ -0.0021844300000000, 0.0015583100000000, -0.0021664000000000 ] - [ -0.0011381600000000, -0.0001532500000000, 0.0011604600000000 ] - [ -0.0004664200000000, 0.0003223300000000, 0.0002720700000000 ] - [ -0.0049145400000000, -0.0034133600000000, 0.0008477000000000 ] - [ -0.0006812900000000, -0.0003109300000000, 0.0000452600000000 ] - [ 0.0001897100000000, -0.0002536300000000, -0.0002416900000000 ] - [ 0.0019029400000000, -0.0006707300000000, -0.0015851600000000 ] - [ -0.0004923000000000, -0.0001017200000000, 0.0004888700000000 ] - [ 0.0007193500000000, -0.0000370700000000, 0.0003760600000000 ] - [ 0.0009824000000000, -0.0004932200000000, -0.0003269800000000 ] - [ -0.0006717400000000, 0.0003909900000000, 0.0003606700000000 ] - [ -0.0009626000000000, -0.0007009800000000, 0.0004159800000000 ] - [ 0.0012310300000000, 0.0005841300000000, -0.0006549500000000 ] - [ 0.0009530900000000, -0.0010312600000000, -0.0016146100000000 ] - [ -0.0011229700000000, 0.0002360000000000, 0.0005355100000000 ] - [ -0.0005172100000000, 0.0001431800000000, 0.0004068100000000 ] - [ -0.0008150500000000, 0.0001117100000000, 0.0009009600000000 ] - [ -0.0009172900000000, -0.0001100700000000, -0.0013279800000000 ] - [ -0.0005874300000000, -0.0005130000000000, -0.0015908900000000 ] - [ 0.0007340800000000, 0.0003782700000000, -0.0001482500000000 ] - [ -0.0004019900000000, 0.0000400900000000, 0.0004291600000000 ] - [ -0.0000140500000000, 0.0000216300000000, -0.0001519600000000 ] - [ 0.0005985400000000, -0.0001199400000000, -0.0004684400000000 ] - [ -0.0007627900000000, 0.0000043100000000, -0.0000474500000000 ] - [ -0.0050891300000000, -0.0009532700000000, -0.0001911500000000 ] - [ -0.0000228200000000, 0.0001339700000000, -0.0012615400000000 ] - [ -0.0020206100000000, 0.0012053900000000, 0.0014100900000000 ] - [ -0.0006353100000000, 0.0000582100000000, 0.0017866600000000 ] - [ 0.0004888300000000, 0.0003041500000000, 0.0000480200000000 ] - [ 0.0005687300000000, 0.0002158100000000, 0.0009571600000000 ] - [ 0.0000379900000000, -0.0001731400000000, 0.0012253300000000 ] - [ -0.0002696800000000, -0.0002400200000000, -0.0002961700000000 ] - [ -0.0009731700000000, -0.0000262900000000, 0.0019664500000000 ] - [ 0.0003136000000000, -0.0005811800000000, -0.0002626500000000 ] - [ -0.0004024900000000, -0.0001988000000000, 0.0003011800000000 ] - [ -0.0004766100000000, -0.0005450300000000, 0.0008447800000000 ] - [ 0.0001405900000000, -0.0001101500000000, 0.0003998800000000 ] - [ 0.0004024200000000, 0.0015916000000000, -0.0015711700000000 ] - [ -0.0002902300000000, 0.0005072800000000, 0.0003386100000000 ] - [ -0.0000588200000000, 0.0002597700000000, -0.0003527900000000 ] - [ 0.0044578700000000, 0.0002995400000000, -0.0058916800000000 ] - [ 0.0008827700000000, -0.0000084100000000, 0.0001416800000000 ] - [ -0.0011397000000000, -0.0005585500000000, -0.0003394600000000 ] - [ 0.0000503100000000, -0.0003464700000000, 0.0005959000000000 ] - [ 0.0013555600000000, -0.0005650100000000, 0.0007907300000000 ] - [ -0.0000103800000000, 0.0001598600000000, 0.0004638000000000 ] - [ 0.0006649300000000, -0.0030979400000000, 0.0046949400000000 ] - [ -0.0008580000000000, 0.0005693500000000, -0.0004521900000000 ] - [ 0.0022455400000000, -0.0003547100000000, 0.0012916900000000 ] - [ -0.0005763200000000, 0.0002062500000000, 0.0006682400000000 ] - [ 0.0001123500000000, 0.0002352100000000, 0.0004456900000000 ] - [ 0.0010031400000000, 0.0000248700000000, -0.0000882700000000 ] - [ -0.0006156100000000, 0.0003972900000000, 0.0002321800000000 ] - [ -0.0001811100000000, -0.0002424200000000, -0.0004264200000000 ] - [ 0.0045195700000000, -0.0000638500000000, -0.0034653200000000 ] - [ -0.0016429400000000, 0.0011975600000000, 0.0003984500000000 ] - [ -0.0006712200000000, -0.0001173000000000, 0.0001164900000000 ] - [ 0.0004736100000000, 0.0000843300000000, 0.0001157300000000 ] - [ -0.0003286700000000, 0.0005517700000000, 0.0015195800000000 ] - [ -0.0010693800000000, -0.0004867400000000, 0.0014167800000000 ] - [ -0.0001980700000000, 0.0000930100000000, -0.0000303600000000 ] - [ 0.0005728800000000, -0.0045963700000000, -0.0035401300000000 ] - [ -0.0004667000000000, -0.0000379600000000, -0.0000215200000000 ] - [ 0.0001531300000000, -0.0001378100000000, 0.0002013200000000 ] - [ 0.0040564500000000, 0.0008525500000000, -0.0083813900000000 ] - [ 0.0003809400000000, -0.0008317700000000, 0.0000538300000000 ] - [ -0.0005798600000000, -0.0004224000000000, 0.0001441200000000 ] - [ -0.0002279300000000, -0.0007381200000000, 0.0002914900000000 ] - [ 0.0011084600000000, -0.0004414200000000, 0.0005189500000000 ] - [ 0.0030809000000000, 0.0001582600000000, -0.0036782200000000 ] - [ -0.0004184000000000, 0.0009699800000000, -0.0000690700000000 ] - [ -0.0004487300000000, 0.0005256700000000, -0.0000187400000000 ] - [ 0.0013936100000000, 0.0025464400000000, 0.0004194300000000 ] - [ 0.0000665100000000, -0.0001489000000000, 0.0001545100000000 ] - [ -0.0004661200000000, -0.0004648800000000, 0.0011507600000000 ] - [ -0.0002715000000000, -0.0003336600000000, 0.0005736800000000 ] - [ 0.0000419200000000, -0.0001393800000000, -0.0006060100000000 ] - [ 0.0001514200000000, -0.0025574000000000, -0.0014418700000000 ] - [ -0.0001949700000000, 0.0001358600000000, -0.0002706200000000 ] - [ 0.0014893400000000, 0.0009701100000000, 0.0004626600000000 ] - [ -0.0001533900000000, 0.0001702300000000, 0.0003313800000000 ] - [ 0.0006858500000000, -0.0001226300000000, -0.0009597300000000 ] - [ -0.0034961400000000, 0.0019257100000000, -0.0012203700000000 ] - [ -0.0010882000000000, 0.0000769300000000, 0.0008569800000000 ] - [ 0.0016134500000000, 0.0003890000000000, -0.0003527100000000 ] - [ -0.0058117800000000, 0.0005088800000000, 0.0010716400000000 ] - [ 0.0011658000000000, -0.0002782100000000, -0.0008074300000000 ] - [ -0.0006621100000000, -0.0002399100000000, -0.0012123500000000 ] - [ 0.0011767500000000, -0.0001656500000000, -0.0033166500000000 ] - [ 0.0000193000000000, 0.0003215400000000, -0.0009749300000000 ] - [ -0.0006052200000000, 0.0004326000000000, -0.0005355200000000 ] - [ 0.0022355600000000, -0.0002638500000000, -0.0001388600000000 ] - [ 0.0002832300000000, 0.0002311700000000, 0.0014499600000000 ] - [ 0.0008021200000000, -0.0002567400000000, 0.0005973100000000 ] - [ 0.0097876100000000, -0.0055752400000000, 0.0003236400000000 ] - [ 0.0073228900000000, 0.0154417700000000, -0.0067287200000000 ] - [ 0.0007287800000000, 0.0000969300000000, -0.0007011200000000 ] - [ 0.0001120800000000, 0.0000672900000000, 0.0005823900000000 ] - [ -0.0018083500000000, 0.0023089800000000, 0.0087919800000000 ] - [ -0.0007814900000000, -0.0002494200000000, 0.0006832300000000 ] - [ 0.0008056900000000, -0.0003144800000000, -0.0009791700000000 ] - [ 0.0020754600000000, 0.0004571900000000, -0.0028474100000000 ] - [ 0.0001180200000000, 0.0000651900000000, -0.0006373500000000 ] - [ 0.0013349500000000, -0.0001043100000000, -0.0004679700000000 ] - [ -0.0019760800000000, -0.0007068700000000, -0.0000287700000000 ] - [ -0.0011215900000000, 0.0003968600000000, 0.0003780100000000 ] - [ 0.0021394900000000, -0.0002799100000000, -0.0021796500000000 ] - [ -0.0000597000000000, -0.0004750500000000, -0.0012973500000000 ] - [ -0.0011374800000000, 0.0005427400000000, -0.0037820800000000 ] - [ -0.0013799800000000, 0.0013333200000000, -0.0028408800000000 ] - [ 0.0007685000000000, -0.0003655100000000, -0.0009690400000000 ] - [ 0.0035046900000000, 0.0016029500000000, -0.0003265600000000 ] - [ -0.0004255600000000, 0.0002641300000000, 0.0030610300000000 ] - [ 0.0001286400000000, 0.0000501200000000, 0.0012833400000000 ] - [ 0.0029655700000000, 0.0038320300000000, -0.0002920300000000 ] - [ 0.0008291100000000, -0.0003773500000000, 0.0004170800000000 ] - [ -0.0042154100000000, -0.0142274900000000, -0.0085714600000000 ] - [ -0.0072987900000000, -0.0059375600000000, 0.0048557800000000 ] - [ 0.0008473200000000, -0.0005614300000000, -0.0005483300000000 ] - [ 0.0014042600000000, 0.0004665700000000, -0.0022937400000000 ] - [ -0.0015755900000000, 0.0001629400000000, -0.0007298500000000 ]- atom: 9 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0003703000000000, -0.0002929100000000, 0.0004581000000000 ] - [ -0.0003908000000000, -0.0000744300000000, -0.0002027200000000 ] - [ 0.0001384700000000, 0.0000501200000000, -0.0000761900000000 ] - [ 0.0000896000000000, 0.0000507300000000, 0.0002542900000000 ] - [ -0.0006348300000000, 0.0000165900000000, -0.0003173900000000 ] - [ -0.0063724500000000, 0.0015661700000000, 0.0009525700000000 ] - [ -0.0002809300000000, -0.0003982100000000, 0.0006249900000000 ] - [ -0.0004298000000000, -0.0001119200000000, -0.0002268000000000 ] - [ -0.0934725800000000, -0.0985138500000000, 0.0035515300000000 ] - [ 0.0013389200000000, 0.0004490300000000, -0.0002405100000000 ] - [ -0.0006684300000000, 0.0011991100000000, -0.0007314400000000 ] - [ 0.0010922000000000, 0.0000515900000000, -0.0009249500000000 ] - [ 0.0063495100000000, 0.0097981500000000, -0.0058964400000000 ] - [ 0.0005748900000000, 0.0015466600000000, 0.0004531600000000 ] - [ -0.0008393700000000, -0.0005339700000000, 0.0003283900000000 ] - [ -0.0005495100000000, -0.0003008900000000, 0.0009591400000000 ] - [ 0.0038269800000000, 0.0004780400000000, -0.0041363000000000 ] - [ 0.0007241000000000, -0.0012902300000000, 0.0002639300000000 ] - [ -0.0099743800000000, -0.0064275800000000, 0.0011468400000000 ] - [ 0.0006058700000000, -0.0001668500000000, -0.0001981400000000 ] - [ 0.0036995000000000, 0.0051896400000000, 0.0080448800000000 ] - [ 0.0005157100000000, 0.0000575900000000, 0.0005089900000000 ] - [ -0.0000191000000000, 0.0003665400000000, -0.0004958000000000 ] - [ 0.0002248100000000, -0.0004013700000000, 0.0022183700000000 ] - [ -0.0103267900000000, 0.0020010600000000, 0.0009914200000000 ] - [ 0.0011320700000000, -0.0000770800000000, 0.0001673700000000 ] - [ -0.0002393100000000, -0.0001568900000000, -0.0001950800000000 ] - [ -0.0004059400000000, -0.0002831200000000, 0.0004651900000000 ] - [ 0.0019151600000000, -0.0007057100000000, -0.0003477800000000 ] - [ -0.0019440400000000, -0.0002185500000000, -0.0002033600000000 ] - [ -0.0011466100000000, -0.0002138900000000, 0.0002814400000000 ] - [ 0.0006174100000000, 0.0004785300000000, -0.0000974600000000 ] - [ 0.0150102600000000, -0.0028846400000000, -0.0089423600000000 ] - [ 0.0015553600000000, -0.0008689000000000, -0.0001938700000000 ] - [ -0.0000894500000000, 0.0001760100000000, -0.0005157600000000 ] - [ -0.0000027600000000, -0.0002666100000000, 0.0001137600000000 ] - [ 0.0016670100000000, -0.0000955700000000, -0.0016143600000000 ] - [ 0.0000323200000000, 0.0005012600000000, 0.0007420400000000 ] - [ -0.0011165200000000, 0.0028285400000000, 0.0013812200000000 ] - [ -0.0000525300000000, -0.0000934700000000, -0.0000900100000000 ] - [ -0.0003994400000000, -0.0004724100000000, -0.0021637000000000 ] - [ 0.0002684400000000, 0.0003915100000000, 0.0006601700000000 ] - [ 0.0002051100000000, -0.0002885300000000, 0.0004354000000000 ] - [ 0.0023283500000000, 0.0006403800000000, -0.0008407900000000 ] - [ 0.0007485700000000, -0.0003025600000000, -0.0008005000000000 ] - [ 0.0006791100000000, -0.0000772500000000, 0.0002091000000000 ] - [ 0.0001246900000000, 0.0007693100000000, -0.0002316700000000 ] - [ -0.0010186600000000, 0.0004455000000000, 0.0009855400000000 ] - [ 0.0005993200000000, 0.0000813000000000, -0.0017905300000000 ] - [ -0.0015888000000000, 0.0016588300000000, 0.0038919900000000 ] - [ 0.0009086300000000, 0.0003711500000000, -0.0012663800000000 ] - [ 0.0000584400000000, 0.0000288900000000, 0.0018299600000000 ] - [ -0.0117827400000000, -0.0001482200000000, 0.0030143200000000 ] - [ 0.0008744700000000, -0.0002866100000000, 0.0003074900000000 ] - [ -0.0007837500000000, -0.0000862700000000, 0.0022694100000000 ] - [ 0.0003981600000000, -0.0000197900000000, -0.0017137800000000 ] - [ 0.0007835200000000, -0.0009046600000000, -0.0001533800000000 ] - [ -0.0014537800000000, 0.0023213300000000, -0.0002811400000000 ] - [ 0.0009609700000000, -0.0007982500000000, -0.0012969200000000 ] - [ 0.0002688500000000, -0.0003783800000000, 0.0009621300000000 ] - [ -0.0006690800000000, -0.0003434200000000, -0.0003346000000000 ] - [ 0.0003771800000000, -0.0001194300000000, 0.0004848300000000 ] - [ 0.0001385800000000, 0.0005609200000000, -0.0000092300000000 ] - [ 0.0001477800000000, 0.0005027000000000, -0.0006908800000000 ] - [ 0.0012830300000000, 0.0012327600000000, -0.0003618800000000 ] - [ 0.0039004500000000, 0.0025411200000000, 0.0021617800000000 ] - [ -0.0004775700000000, -0.0000065900000000, -0.0010128500000000 ] - [ 0.0011483400000000, -0.0008272400000000, 0.0008757100000000 ] - [ -0.0000283300000000, 0.0002076000000000, 0.0009227300000000 ] - [ 0.0001099300000000, 0.0002695600000000, -0.0001852200000000 ] - [ -0.0012043300000000, 0.0006144200000000, -0.0007617500000000 ] - [ -0.0002486300000000, 0.0004337800000000, -0.0003787900000000 ] - [ 0.0281786400000000, 0.0439977300000000, 0.0065196300000000 ] - [ 0.0013417800000000, 0.0005884000000000, 0.0004531900000000 ] - [ 0.0021238200000000, 0.0002140500000000, 0.0008022700000000 ] - [ 0.0013614300000000, -0.0000748200000000, -0.0006741700000000 ] - [ 0.0014014300000000, 0.0002946000000000, -0.0003073100000000 ] - [ -0.0016207600000000, -0.0005431800000000, 0.0000945700000000 ] - [ -0.0001724000000000, -0.0002069700000000, -0.0002099100000000 ] - [ -0.0001842300000000, -0.0002976700000000, 0.0006570700000000 ] - [ 0.0005012600000000, 0.0001466200000000, 0.0007019000000000 ] - [ 0.0023909100000000, -0.0001532900000000, -0.0026273800000000 ] - [ 0.0006979800000000, -0.0039627700000000, -0.0010350700000000 ] - [ 0.0002608200000000, 0.0001712700000000, 0.0001290300000000 ] - [ -0.0004915300000000, -0.0001521200000000, -0.0004240400000000 ] - [ -0.0002982900000000, 0.0000680700000000, 0.0003942100000000 ] - [ 0.0005465400000000, -0.0001223200000000, 0.0003070200000000 ] - [ 0.0000080900000000, 0.0000604400000000, -0.0013224600000000 ] - [ 0.0023240500000000, -0.0030592700000000, 0.0000718500000000 ] - [ 0.0033091800000000, -0.0025825500000000, 0.0018020200000000 ] - [ -0.0007708000000000, -0.0014713600000000, -0.0008570600000000 ] - [ 0.0007601600000000, -0.0002276200000000, 0.0004552500000000 ] - [ -0.0014228400000000, 0.0030393800000000, -0.0016703600000000 ] - [ 0.0012690200000000, 0.0003928000000000, 0.0009065300000000 ] - [ -0.0008021900000000, 0.0002731400000000, -0.0003724900000000 ] - [ 0.0000057900000000, 0.0006293900000000, -0.0000831800000000 ] - [ 0.0008747000000000, 0.0000287900000000, 0.0007506000000000 ] - [ -0.0007849100000000, -0.0006111700000000, 0.0014630600000000 ] - [ -0.0002839400000000, 0.0001018500000000, -0.0025192000000000 ] - [ 0.0003847800000000, -0.0003481600000000, 0.0008744400000000 ] - [ -0.0045908900000000, -0.0005838700000000, -0.0069780600000000 ] - [ 0.0005877500000000, 0.0002046700000000, 0.0002291400000000 ] - [ -0.0015304300000000, -0.0023295400000000, -0.0023130700000000 ] - [ 0.0021284300000000, 0.0008166700000000, 0.0015868400000000 ] - [ 0.0013262200000000, 0.0005774400000000, 0.0006703600000000 ] - [ -0.0011029600000000, -0.0003374100000000, -0.0005553600000000 ] - [ -0.0066017000000000, 0.0081560500000000, 0.0088505600000000 ] - [ -0.0030646800000000, 0.0020777800000000, -0.0022495800000000 ] - [ -0.0022517200000000, -0.0052089600000000, 0.0047184900000000 ] - [ -0.0027118300000000, -0.0022822000000000, -0.0021853000000000 ] - [ -0.0028315700000000, -0.0041372200000000, -0.0066104400000000 ] - [ -0.0012842400000000, -0.0000409600000000, 0.0004607200000000 ] - [ 0.0587138500000000, 0.0303369400000000, 0.0051793500000000 ] - [ -0.0021391400000000, -0.0000658700000000, 0.0004448300000000 ] - [ -0.0002098600000000, 0.0004144700000000, 0.0027752200000000 ] - [ -0.0004711500000000, -0.0001562600000000, -0.0012421500000000 ] - [ -0.0010177300000000, -0.0008481700000000, 0.0009688500000000 ] - [ 0.0023755900000000, -0.0006204200000000, -0.0046855200000000 ] - [ 0.0001287100000000, -0.0000225400000000, 0.0003169700000000 ] - [ 0.0001897600000000, -0.0002000700000000, -0.0014641500000000 ] - [ -0.0018824500000000, 0.0003991300000000, 0.0003076600000000 ] - [ 0.0034876700000000, 0.0014566400000000, 0.0045640300000000 ] - [ -0.0010167000000000, 0.0002183900000000, -0.0008664000000000 ] - [ -0.0027858600000000, 0.0004981100000000, 0.0042296000000000 ] - [ 0.0075942000000000, 0.0018484200000000, -0.0032126900000000 ] - [ -0.0017237200000000, -0.0000102000000000, -0.0010047100000000 ] - [ 0.0020827500000000, -0.0009698100000000, 0.0018121800000000 ] - [ -0.0001844100000000, 0.0004453600000000, 0.0000223500000000 ] - [ -0.0028416300000000, 0.0012584400000000, -0.0001686000000000 ] - [ -0.0122665900000000, -0.0092829600000000, -0.0051768000000000 ] - [ 0.0032083300000000, -0.0014466200000000, -0.0014760900000000 ] - [ -0.0021864700000000, -0.0006808400000000, 0.0003552600000000 ] - [ 0.0274049000000000, 0.0224805000000000, -0.0049938800000000 ] - [ -0.0025466900000000, -0.0003000700000000, 0.0003955000000000 ] - [ 0.0002917300000000, 0.0000760400000000, 0.0026712200000000 ] - [ -0.0001889600000000, 0.0006269500000000, -0.0016443000000000 ] - [ -0.0035272300000000, -0.0005152000000000, 0.0020773000000000 ] - [ 0.0006286100000000, -0.0000784700000000, -0.0027992900000000 ] - [ 0.0013056600000000, -0.0000305100000000, -0.0010297200000000 ] - [ -0.0003387800000000, -0.0006294800000000, 0.0017750300000000 ] - [ 0.0051023300000000, -0.0001820900000000, -0.0012428500000000 ] - [ -0.0022838200000000, -0.0003275400000000, -0.0013769200000000 ] - [ -0.0012257400000000, 0.0020249200000000, 0.0037857600000000 ] - [ -0.0018391100000000, 0.0007368900000000, -0.0021988100000000 ]- atom: 9 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0005906000000000, 0.0003198800000000, -0.0004750600000000 ] - [ 0.0001728500000000, 0.0000977200000000, 0.0001840900000000 ] - [ 0.0000807200000000, -0.0000283900000000, 0.0000915100000000 ] - [ 0.0001284200000000, -0.0000301300000000, -0.0002339400000000 ] - [ 0.0008569300000000, -0.0000403300000000, 0.0003377300000000 ] - [ 0.0065490400000000, -0.0016014700000000, -0.0009301200000000 ] - [ 0.0000623900000000, 0.0003766000000000, -0.0006399600000000 ] - [ 0.0002104200000000, 0.0000911500000000, 0.0002108000000000 ] - [ 0.0954414800000000, 0.1001085800000000, -0.0040023300000000 ] - [ -0.0001359400000000, -0.0004033000000000, -0.0001105600000000 ] - [ 0.0018583600000000, -0.0002194000000000, -0.0005900400000000 ] - [ 0.0001103500000000, 0.0009129600000000, -0.0004187500000000 ] - [ -0.0076114600000000, -0.0089129200000000, 0.0072847900000000 ] - [ -0.0017757200000000, -0.0005806000000000, 0.0008893300000000 ] - [ -0.0003666800000000, -0.0004308900000000, 0.0010164300000000 ] - [ -0.0006511000000000, -0.0006660700000000, 0.0003803400000000 ] - [ -0.0026502300000000, -0.0014428800000000, 0.0028294300000000 ] - [ 0.0004766900000000, 0.0003232700000000, -0.0016024800000000 ] - [ 0.0098988300000000, 0.0062831700000000, -0.0020861600000000 ] - [ -0.0007334800000000, 0.0001611100000000, -0.0008099500000000 ] - [ -0.0036093000000000, -0.0052468600000000, -0.0071114800000000 ] - [ -0.0003890500000000, -0.0000645800000000, 0.0004951800000000 ] - [ 0.0001473900000000, -0.0003618100000000, 0.0015054500000000 ] - [ -0.0001030300000000, 0.0004084600000000, -0.0012143000000000 ] - [ 0.0093333700000000, -0.0013358300000000, -0.0006067900000000 ] - [ -0.0021415500000000, 0.0007185400000000, 0.0002211700000000 ] - [ -0.0007637400000000, -0.0004850700000000, 0.0005822000000000 ] - [ -0.0005998100000000, -0.0003581400000000, -0.0000744000000000 ] - [ -0.0009122500000000, 0.0000657100000000, -0.0000400300000000 ] - [ 0.0029470600000000, -0.0004176600000000, -0.0001819700000000 ] - [ 0.0011615900000000, 0.0003869400000000, -0.0001526200000000 ] - [ -0.0005865600000000, -0.0002902700000000, 0.0002118500000000 ] - [ -0.0153011800000000, 0.0031029600000000, 0.0089708400000000 ] - [ -0.0015840100000000, 0.0010567900000000, 0.0000784300000000 ] - [ 0.0000530800000000, -0.0003636300000000, 0.0004042100000000 ] - [ -0.0000265200000000, 0.0000798700000000, -0.0002315500000000 ] - [ -0.0016392600000000, -0.0001001600000000, 0.0017395100000000 ] - [ -0.0000030900000000, -0.0006883700000000, -0.0006234500000000 ] - [ -0.0000728300000000, -0.0028273300000000, -0.0010350300000000 ] - [ -0.0011494600000000, 0.0001374200000000, 0.0004396700000000 ] - [ 0.0002750900000000, 0.0004805200000000, 0.0011635900000000 ] - [ -0.0003949600000000, -0.0003844800000000, -0.0016653300000000 ] - [ 0.0008277400000000, 0.0009379800000000, -0.0008239400000000 ] - [ -0.0013171800000000, 0.0000020700000000, 0.0004498000000000 ] - [ 0.0004549300000000, 0.0002608800000000, 0.0004498100000000 ] - [ 0.0005235000000000, 0.0000351700000000, -0.0005602500000000 ] - [ -0.0013310200000000, -0.0008187200000000, 0.0005846300000000 ] - [ -0.0001910400000000, -0.0004974500000000, -0.0006324000000000 ] - [ -0.0010006400000000, 0.0003401300000000, 0.0003559300000000 ] - [ 0.0011733400000000, -0.0012366200000000, -0.0053113200000000 ] - [ -0.0005060300000000, 0.0000509500000000, 0.0027001900000000 ] - [ 0.0003431000000000, 0.0003933900000000, -0.0003957500000000 ] - [ 0.0122352200000000, -0.0004721300000000, -0.0017727700000000 ] - [ -0.0004746700000000, -0.0001339900000000, 0.0011303900000000 ] - [ 0.0003845400000000, -0.0003404900000000, -0.0037183800000000 ] - [ -0.0007964200000000, -0.0004006600000000, 0.0002727500000000 ] - [ -0.0005815900000000, 0.0001693800000000, -0.0005252200000000 ] - [ 0.0016534200000000, -0.0030597300000000, -0.0003943900000000 ] - [ -0.0011620300000000, 0.0000650400000000, 0.0019698900000000 ] - [ -0.0004675200000000, -0.0003510600000000, -0.0002889900000000 ] - [ 0.0004645000000000, 0.0011005600000000, 0.0010025600000000 ] - [ -0.0005807900000000, 0.0008561100000000, 0.0001941100000000 ] - [ 0.0000634000000000, 0.0001709300000000, -0.0006653400000000 ] - [ 0.0000557100000000, 0.0002289300000000, 0.0000107000000000 ] - [ -0.0021321200000000, -0.0020067400000000, -0.0004986300000000 ] - [ -0.0047366200000000, -0.0032959700000000, -0.0030170400000000 ] - [ 0.0013142700000000, -0.0007479900000000, 0.0018713000000000 ] - [ -0.0003031000000000, 0.0000669100000000, -0.0000162800000000 ] - [ 0.0001877500000000, 0.0000762200000000, -0.0001301500000000 ] - [ 0.0000402300000000, 0.0000179500000000, 0.0009473600000000 ] - [ 0.0003582900000000, 0.0001432000000000, -0.0000970000000000 ] - [ -0.0005995400000000, 0.0003290400000000, -0.0004853300000000 ] - [ -0.0284891600000000, -0.0430932700000000, -0.0059228700000000 ] - [ -0.0020074700000000, -0.0002858200000000, 0.0001035500000000 ] - [ -0.0014668300000000, 0.0000833700000000, -0.0013664400000000 ] - [ -0.0006944800000000, 0.0003767900000000, 0.0001142900000000 ] - [ -0.0007391100000000, -0.0005983600000000, -0.0002495200000000 ] - [ 0.0022667400000000, 0.0002263900000000, -0.0006659100000000 ] - [ -0.0004866900000000, -0.0000952200000000, 0.0007672900000000 ] - [ -0.0004785400000000, -0.0000043600000000, -0.0000993900000000 ] - [ 0.0001422300000000, 0.0000239000000000, -0.0005222800000000 ] - [ -0.0017506400000000, 0.0003239300000000, 0.0028076000000000 ] - [ -0.0013007200000000, 0.0040947700000000, 0.0008244400000000 ] - [ -0.0009000700000000, 0.0000005300000000, -0.0003190900000000 ] - [ -0.0001375500000000, -0.0000284600000000, 0.0002144400000000 ] - [ -0.0003406400000000, -0.0002385400000000, -0.0005736100000000 ] - [ 0.0000904400000000, -0.0000505500000000, -0.0001172800000000 ] - [ 0.0006298200000000, -0.0002282700000000, 0.0015041000000000 ] - [ -0.0025276500000000, 0.0016565200000000, -0.0000939200000000 ] - [ -0.0034956300000000, 0.0011540900000000, -0.0018221300000000 ] - [ 0.0009540800000000, 0.0000396000000000, 0.0008774100000000 ] - [ -0.0005717000000000, -0.0011995100000000, -0.0004334700000000 ] - [ 0.0016380700000000, -0.0016470600000000, 0.0017061500000000 ] - [ -0.0010776400000000, 0.0010322600000000, -0.0008806500000000 ] - [ 0.0006138000000000, 0.0011594700000000, 0.0003530500000000 ] - [ -0.0001961900000000, 0.0007962700000000, 0.0000567600000000 ] - [ -0.0007268500000000, -0.0003186100000000, 0.0000171600000000 ] - [ 0.0009394500000000, 0.0003191200000000, -0.0006811700000000 ] - [ 0.0001318400000000, -0.0003888000000000, 0.0017444100000000 ] - [ -0.0005309100000000, 0.0000598100000000, -0.0016442400000000 ] - [ 0.0044740400000000, 0.0009016900000000, 0.0062110000000000 ] - [ -0.0007388100000000, 0.0000837800000000, -0.0009979500000000 ] - [ 0.0024221900000000, 0.0031276300000000, 0.0031998700000000 ] - [ -0.0012788500000000, -0.0000531400000000, -0.0007223500000000 ] - [ -0.0020356100000000, -0.0000910300000000, -0.0010235500000000 ] - [ 0.0003780500000000, 0.0008116600000000, 0.0002162300000000 ] - [ 0.0073595100000000, -0.0077876700000000, -0.0085940600000000 ] - [ 0.0037863600000000, -0.0016041200000000, 0.0025874900000000 ] - [ 0.0015166600000000, 0.0047831600000000, -0.0050949000000000 ] - [ 0.0019848800000000, 0.0018090900000000, 0.0018366200000000 ] - [ 0.0030733700000000, 0.0043321100000000, 0.0059827800000000 ] - [ 0.0015036300000000, 0.0001854200000000, -0.0011245700000000 ] - [ -0.0595846300000000, -0.0309244200000000, -0.0046765500000000 ] - [ 0.0019190300000000, 0.0002077800000000, 0.0002234400000000 ] - [ -0.0000181500000000, -0.0005624500000000, -0.0021095200000000 ] - [ 0.0002481400000000, 0.0000102900000000, 0.0019117000000000 ] - [ 0.0012419100000000, 0.0007098300000000, -0.0016413000000000 ] - [ -0.0021225300000000, 0.0004857700000000, 0.0040135700000000 ] - [ 0.0005669500000000, 0.0002207100000000, -0.0016403900000000 ] - [ 0.0005094600000000, 0.0003912900000000, 0.0001142800000000 ] - [ 0.0011852900000000, -0.0002117800000000, 0.0010244600000000 ] - [ -0.0041765400000000, -0.0012877000000000, -0.0032310400000000 ] - [ 0.0002930900000000, -0.0004094700000000, 0.0022093100000000 ] - [ 0.0020813400000000, -0.0006871900000000, -0.0028867500000000 ] - [ -0.0068740400000000, -0.0020143200000000, 0.0018635600000000 ] - [ 0.0024301700000000, -0.0001757100000000, -0.0003271000000000 ] - [ -0.0013398300000000, 0.0004767900000000, -0.0014833900000000 ] - [ 0.0009111700000000, -0.0009190700000000, 0.0003267000000000 ] - [ 0.0030812800000000, -0.0003505200000000, 0.0011862200000000 ] - [ 0.0124997800000000, 0.0101817800000000, 0.0061688600000000 ] - [ -0.0037517300000000, 0.0007154800000000, 0.0008085400000000 ] - [ 0.0016932500000000, -0.0000837300000000, -0.0008949600000000 ] - [ -0.0271615100000000, -0.0242457100000000, 0.0058050600000000 ] - [ 0.0030390100000000, -0.0004646400000000, 0.0001515900000000 ] - [ 0.0002035600000000, 0.0006862300000000, -0.0021266000000000 ] - [ 0.0006805700000000, 0.0001363000000000, 0.0021933600000000 ] - [ 0.0030484200000000, 0.0012907400000000, -0.0026356700000000 ] - [ -0.0011153800000000, 0.0008448500000000, 0.0022387900000000 ] - [ -0.0010726400000000, -0.0008845900000000, 0.0020420900000000 ] - [ 0.0005738700000000, -0.0002838100000000, -0.0007565700000000 ] - [ -0.0054372500000000, -0.0007126800000000, 0.0003645400000000 ] - [ 0.0020474500000000, -0.0005872900000000, 0.0003598200000000 ] - [ 0.0009892100000000, -0.0011095000000000, -0.0047727600000000 ] - [ 0.0016059600000000, 0.0001738300000000, 0.0011949200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003719400000000, -0.0014870800000000, 0.0007527800000000 ] - [ -0.0003441400000000, -0.0001000100000000, 0.0000181700000000 ] - [ 0.0001602700000000, 0.0002865700000000, 0.0001902300000000 ] - [ 0.0000474100000000, 0.0004428500000000, 0.0000726500000000 ] - [ -0.0003460600000000, 0.0001614400000000, -0.0003460500000000 ] - [ -0.0007329800000000, 0.0045275000000000, 0.0005245200000000 ] - [ -0.0002077700000000, -0.0008867300000000, -0.0000217000000000 ] - [ -0.0002537800000000, -0.0005017500000000, -0.0002273400000000 ] - [ -0.1001584300000000, -0.4676034700000000, -0.0433694100000000 ] - [ 0.0010261600000000, 0.0001552000000000, -0.0002272800000000 ] - [ 0.0024153400000000, -0.0027834200000000, -0.0039100600000000 ] - [ 0.0008655200000000, 0.0001121300000000, -0.0008091700000000 ] - [ 0.0158888000000000, 0.0220259400000000, -0.0139472100000000 ] - [ 0.0001373500000000, 0.0014463000000000, 0.0004833700000000 ] - [ 0.0000765200000000, -0.0003954600000000, -0.0000273100000000 ] - [ -0.0008892900000000, 0.0000547400000000, 0.0010744100000000 ] - [ 0.0023945300000000, -0.0009104500000000, -0.0028717300000000 ] - [ -0.0000696000000000, -0.0018779300000000, 0.0001368000000000 ] - [ -0.0106310100000000, 0.0438168600000000, -0.0244160700000000 ] - [ 0.0003867600000000, -0.0001364400000000, -0.0002711200000000 ] - [ 0.0094938800000000, 0.0097145100000000, 0.0166110200000000 ] - [ 0.0001328900000000, 0.0000105200000000, 0.0003392100000000 ] - [ -0.0000567100000000, 0.0003919000000000, -0.0004390700000000 ] - [ 0.0006327300000000, -0.0001957200000000, 0.0020029600000000 ] - [ -0.0161171500000000, 0.0161969900000000, -0.0005533500000000 ] - [ 0.0006277000000000, 0.0000656700000000, 0.0001970600000000 ] - [ -0.0005780500000000, 0.0000303600000000, 0.0001005200000000 ] - [ -0.0011136700000000, -0.0002626900000000, -0.0000435900000000 ] - [ 0.0017897800000000, -0.0007285000000000, -0.0003951200000000 ] - [ -0.0028044700000000, -0.0006691200000000, -0.0019798100000000 ] - [ 0.0026254800000000, 0.0032867000000000, -0.0024132600000000 ] - [ 0.0003597000000000, 0.0004764300000000, 0.0000008900000000 ] - [ 0.0116230200000000, -0.0101151800000000, -0.0064768400000000 ] - [ 0.0009400500000000, -0.0008089700000000, -0.0001484000000000 ] - [ 0.0007858700000000, -0.0003914400000000, -0.0007286500000000 ] - [ -0.0003705700000000, -0.0005647500000000, 0.0001592300000000 ] - [ 0.0028680200000000, 0.0002213200000000, -0.0028483300000000 ] - [ -0.0008077000000000, 0.0010585400000000, 0.0005909500000000 ] - [ -0.0034334100000000, 0.0093983400000000, 0.0016987800000000 ] - [ -0.0004875500000000, 0.0003900300000000, 0.0000329400000000 ] - [ -0.0002249100000000, -0.0004724700000000, -0.0016112500000000 ] - [ -0.0004547300000000, -0.0001401200000000, -0.0007420900000000 ] - [ -0.0042349300000000, -0.0012349100000000, -0.0003094100000000 ] - [ 0.0016927400000000, 0.0002489500000000, -0.0005823300000000 ] - [ 0.0008832400000000, -0.0008483600000000, -0.0004982600000000 ] - [ 0.0006571800000000, -0.0006481700000000, -0.0000785800000000 ] - [ 0.0001914300000000, 0.0008210900000000, -0.0002298600000000 ] - [ -0.0001293700000000, 0.0024281100000000, 0.0004322100000000 ] - [ 0.0004343800000000, 0.0002210300000000, -0.0015321900000000 ] - [ -0.0001711500000000, 0.0021511000000000, 0.0026249900000000 ] - [ 0.0002125500000000, 0.0000214800000000, 0.0004875500000000 ] - [ 0.0000427400000000, -0.0001481500000000, 0.0014188700000000 ] - [ -0.0085620500000000, 0.0253440500000000, 0.0384843200000000 ] - [ 0.0007134900000000, -0.0003243700000000, 0.0002587200000000 ] - [ -0.0006555300000000, 0.0010816000000000, 0.0037436300000000 ] - [ 0.0000681700000000, 0.0000166100000000, -0.0014522700000000 ] - [ 0.0006167100000000, -0.0005572000000000, -0.0001190200000000 ] - [ -0.0039937400000000, 0.0067767600000000, -0.0001567900000000 ] - [ 0.0001120100000000, -0.0021100400000000, -0.0004738100000000 ] - [ -0.0007914400000000, -0.0015655800000000, 0.0008730400000000 ] - [ 0.0006126500000000, -0.0054746200000000, -0.0002225200000000 ] - [ 0.0003127200000000, -0.0001133700000000, 0.0002952700000000 ] - [ 0.0002293400000000, 0.0013843500000000, -0.0005368300000000 ] - [ 0.0002948400000000, 0.0014826100000000, -0.0004501400000000 ] - [ 0.0026804200000000, 0.0038040700000000, -0.0000884000000000 ] - [ 0.0035445700000000, 0.0025414100000000, 0.0018305000000000 ] - [ 0.0011447800000000, -0.0018998200000000, 0.0010924700000000 ] - [ 0.0009086100000000, -0.0008466700000000, 0.0007684900000000 ] - [ -0.0015341300000000, 0.0010765000000000, -0.0036147400000000 ] - [ 0.0002001900000000, 0.0004498800000000, 0.0007531400000000 ] - [ -0.0010200500000000, 0.0015823300000000, -0.0011662000000000 ] - [ -0.0006252800000000, 0.0007508800000000, -0.0005810000000000 ] - [ 0.0322549500000000, 0.0284027000000000, 0.0071877600000000 ] - [ 0.0007858500000000, 0.0004986000000000, 0.0004512900000000 ] - [ 0.0033602300000000, 0.0011924900000000, 0.0016177200000000 ] - [ 0.0001077500000000, 0.0004231800000000, -0.0002597500000000 ] - [ 0.0011978100000000, 0.0002454100000000, -0.0004084200000000 ] - [ 0.0010649800000000, 0.0019562700000000, 0.0021249200000000 ] - [ -0.0001477900000000, -0.0004492300000000, -0.0000028900000000 ] - [ -0.0005315800000000, -0.0003892200000000, 0.0004771100000000 ] - [ -0.0005890500000000, 0.0006689500000000, 0.0014335300000000 ] - [ 0.0024392900000000, -0.0000480600000000, -0.0023695900000000 ] - [ -0.0051371600000000, -0.0002397200000000, 0.0027858600000000 ] - [ 0.0001243800000000, 0.0000058000000000, 0.0002188000000000 ] - [ -0.0013423200000000, 0.0008553100000000, 0.0025754600000000 ] - [ -0.0002010600000000, -0.0002434700000000, -0.0009234100000000 ] - [ 0.0005387000000000, -0.0000239600000000, 0.0000503200000000 ] - [ 0.0002469000000000, 0.0004360300000000, -0.0045857800000000 ] - [ 0.0016559500000000, -0.0028793400000000, -0.0001999500000000 ] - [ 0.0029829600000000, -0.0031070200000000, 0.0015603600000000 ] - [ 0.0007896000000000, 0.0004977900000000, 0.0003768200000000 ] - [ 0.0006432700000000, -0.0002185300000000, 0.0004177400000000 ] - [ -0.0036643400000000, 0.0077051500000000, -0.0034026100000000 ] - [ 0.0007497200000000, 0.0007811600000000, 0.0005533600000000 ] - [ -0.0005410500000000, -0.0007007400000000, -0.0006676000000000 ] - [ -0.0002178300000000, 0.0002900500000000, -0.0002173000000000 ] - [ 0.0008079400000000, -0.0000510900000000, 0.0007449300000000 ] - [ -0.0037731700000000, 0.0000839300000000, -0.0023623800000000 ] - [ -0.0000056600000000, -0.0003354200000000, -0.0015591900000000 ] - [ -0.0009131600000000, -0.0001444400000000, -0.0003070700000000 ] - [ -0.0036578000000000, -0.0012310600000000, -0.0207560300000000 ] - [ 0.0003397900000000, 0.0001337700000000, -0.0001697100000000 ] - [ -0.0048132900000000, -0.0040636800000000, -0.0024458500000000 ] - [ 0.0013756800000000, 0.0003096400000000, 0.0011394200000000 ] - [ -0.0026412200000000, -0.0028830700000000, 0.0017621700000000 ] - [ -0.0004995900000000, -0.0008196700000000, -0.0005967800000000 ] - [ -0.0034558500000000, 0.0096860900000000, 0.0085770100000000 ] - [ -0.0016104000000000, 0.0029415000000000, -0.0019967500000000 ] - [ -0.0045002600000000, -0.0119217200000000, 0.0098440300000000 ] - [ -0.0015436200000000, -0.0027725500000000, -0.0019262500000000 ] - [ -0.0057585500000000, -0.0129214800000000, -0.0117845900000000 ] - [ 0.0001544400000000, -0.0004225400000000, 0.0002413000000000 ] - [ 0.0487295600000000, 0.3091060700000000, 0.0430880600000000 ] - [ -0.0014311700000000, 0.0001682500000000, 0.0005086200000000 ] - [ -0.0002301700000000, 0.0010501400000000, 0.0013550300000000 ] - [ 0.0001862300000000, 0.0008001200000000, -0.0002469700000000 ] - [ -0.0008509200000000, -0.0010804700000000, 0.0008763500000000 ] - [ -0.0014273700000000, -0.0030204000000000, -0.0042856700000000 ] - [ 0.0006712700000000, -0.0018124000000000, -0.0011696300000000 ] - [ 0.0011125600000000, -0.0009900200000000, 0.0014751100000000 ] - [ -0.0016267100000000, 0.0003996300000000, 0.0007662200000000 ] - [ 0.0046341800000000, 0.0072062900000000, 0.0147382900000000 ] - [ 0.0038243200000000, 0.0003968300000000, -0.0007239800000000 ] - [ -0.0022304700000000, 0.0020201700000000, 0.0031147000000000 ] - [ 0.0200778800000000, -0.0056181800000000, -0.0013380300000000 ] - [ -0.0012743400000000, -0.0001045200000000, -0.0011177800000000 ] - [ -0.0017133900000000, 0.0039268200000000, 0.0022917200000000 ] - [ 0.0004123400000000, 0.0006973300000000, 0.0000364000000000 ] - [ -0.0021136200000000, -0.0000037700000000, -0.0010810000000000 ] - [ -0.0135129500000000, -0.0116227000000000, -0.0036966800000000 ] - [ 0.0105314400000000, -0.0069032000000000, 0.0228645300000000 ] - [ -0.0014944200000000, -0.0007341900000000, -0.0003178500000000 ] - [ 0.0110741500000000, 0.0351115400000000, -0.0034790500000000 ] - [ -0.0013281800000000, -0.0002329800000000, 0.0005801200000000 ] - [ -0.0003187500000000, 0.0005693900000000, 0.0021776000000000 ] - [ 0.0006468700000000, 0.0009358200000000, -0.0007049000000000 ] - [ -0.0036977200000000, 0.0007185300000000, 0.0016790500000000 ] - [ 0.0029989000000000, -0.0009348700000000, 0.0017974500000000 ] - [ 0.0017454500000000, -0.0004928700000000, -0.0013899200000000 ] - [ -0.0004929900000000, -0.0010640500000000, 0.0026295000000000 ] - [ 0.0139245400000000, -0.0028012600000000, -0.0195148100000000 ] - [ -0.0016698800000000, -0.0002466300000000, -0.0003381400000000 ] - [ 0.0011659700000000, 0.0017734200000000, -0.0030384700000000 ] - [ -0.0018008100000000, 0.0018836700000000, -0.0018669800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005943200000000, 0.0015100600000000, -0.0007765700000000 ] - [ 0.0001258000000000, 0.0001228800000000, -0.0000347700000000 ] - [ 0.0000573100000000, -0.0002632600000000, -0.0001729800000000 ] - [ 0.0001717200000000, -0.0004197500000000, -0.0000540100000000 ] - [ 0.0005630900000000, -0.0001855000000000, 0.0003624800000000 ] - [ 0.0010437400000000, -0.0045373300000000, -0.0005120200000000 ] - [ -0.0000121400000000, 0.0008622800000000, 0.0000041400000000 ] - [ 0.0000393900000000, 0.0004811000000000, 0.0002102900000000 ] - [ 0.0984958300000000, 0.4477452100000000, 0.0375729200000000 ] - [ 0.0001741700000000, -0.0001122800000000, -0.0001232500000000 ] - [ -0.0011929700000000, 0.0037102300000000, 0.0025804500000000 ] - [ 0.0003331700000000, 0.0008547500000000, -0.0005313600000000 ] - [ -0.0172640300000000, -0.0213052300000000, 0.0154259000000000 ] - [ -0.0013407500000000, -0.0004817600000000, 0.0008580800000000 ] - [ -0.0012714100000000, -0.0005729300000000, 0.0013664000000000 ] - [ -0.0003131600000000, -0.0010213900000000, 0.0002658900000000 ] - [ -0.0011732500000000, -0.0000451100000000, 0.0015087600000000 ] - [ 0.0012680600000000, 0.0009145000000000, -0.0014809000000000 ] - [ 0.0103292900000000, -0.0430606900000000, 0.0231144200000000 ] - [ -0.0005159500000000, 0.0001302700000000, -0.0007363900000000 ] - [ -0.0094468500000000, -0.0097712400000000, -0.0157629000000000 ] - [ -0.0000093700000000, -0.0000175100000000, 0.0006652500000000 ] - [ 0.0001851000000000, -0.0003892500000000, 0.0014503400000000 ] - [ -0.0005072600000000, 0.0002021100000000, -0.0010017000000000 ] - [ 0.0153040400000000, -0.0157875600000000, 0.0009602200000000 ] - [ -0.0016419100000000, 0.0005766200000000, 0.0001926600000000 ] - [ -0.0004329200000000, -0.0006734100000000, 0.0002904700000000 ] - [ 0.0001006300000000, -0.0003797700000000, 0.0004301700000000 ] - [ -0.0007830000000000, 0.0000890800000000, 0.0000062800000000 ] - [ 0.0038242200000000, 0.0000333300000000, 0.0015895500000000 ] - [ -0.0025748300000000, -0.0030908700000000, 0.0025173800000000 ] - [ -0.0003335200000000, -0.0002914200000000, 0.0001161700000000 ] - [ -0.0115631500000000, 0.0104013700000000, 0.0063142300000000 ] - [ -0.0009753600000000, 0.0009990100000000, 0.0000323500000000 ] - [ -0.0008200900000000, 0.0001964000000000, 0.0006214600000000 ] - [ 0.0003392200000000, 0.0003764600000000, -0.0002760000000000 ] - [ -0.0028699800000000, -0.0004019100000000, 0.0029926700000000 ] - [ 0.0008360700000000, -0.0012462100000000, -0.0004755600000000 ] - [ 0.0022264500000000, -0.0093698300000000, -0.0013633500000000 ] - [ -0.0007187700000000, -0.0003435600000000, 0.0003184800000000 ] - [ 0.0000994700000000, 0.0004823100000000, 0.0006118900000000 ] - [ 0.0003254100000000, 0.0001442100000000, -0.0002703000000000 ] - [ 0.0052375600000000, 0.0018573400000000, -0.0000736000000000 ] - [ -0.0006930100000000, 0.0003868700000000, 0.0001947200000000 ] - [ 0.0003190400000000, 0.0008026600000000, 0.0001494600000000 ] - [ 0.0005448300000000, 0.0006039900000000, -0.0002741900000000 ] - [ -0.0013969300000000, -0.0008662200000000, 0.0005823400000000 ] - [ -0.0010724700000000, -0.0024719900000000, -0.0000832000000000 ] - [ -0.0008384700000000, 0.0001986100000000, 0.0000998700000000 ] - [ -0.0002338200000000, -0.0017366500000000, -0.0040666000000000 ] - [ 0.0001809600000000, 0.0003980500000000, 0.0009635400000000 ] - [ 0.0003577900000000, 0.0005704500000000, 0.0000132700000000 ] - [ 0.0089912200000000, -0.0256631800000000, -0.0368191700000000 ] - [ -0.0003148600000000, -0.0000969200000000, 0.0011793100000000 ] - [ 0.0002616700000000, -0.0014999600000000, -0.0052208000000000 ] - [ -0.0004720900000000, -0.0004379500000000, 0.0000185600000000 ] - [ -0.0004189300000000, -0.0001768900000000, -0.0005575000000000 ] - [ 0.0042266500000000, -0.0075210600000000, -0.0005279800000000 ] - [ -0.0003276300000000, 0.0013661000000000, 0.0011600100000000 ] - [ 0.0005902900000000, 0.0008315400000000, -0.0001942500000000 ] - [ -0.0008125500000000, 0.0062162200000000, 0.0008974600000000 ] - [ -0.0005158200000000, 0.0008495400000000, 0.0003822600000000 ] - [ -0.0000261500000000, -0.0006478000000000, -0.0001446500000000 ] - [ -0.0000926100000000, -0.0007473400000000, -0.0002250800000000 ] - [ -0.0035668500000000, -0.0046077600000000, -0.0007769300000000 ] - [ -0.0043888900000000, -0.0033061100000000, -0.0026918300000000 ] - [ -0.0003010500000000, 0.0011367300000000, -0.0002070800000000 ] - [ -0.0000666600000000, 0.0000874800000000, 0.0000904800000000 ] - [ 0.0016801300000000, -0.0007888400000000, 0.0043644100000000 ] - [ -0.0000498200000000, -0.0001628000000000, 0.0000193100000000 ] - [ 0.0001790400000000, -0.0008175000000000, 0.0003031200000000 ] - [ -0.0002256100000000, 0.0000124300000000, -0.0002830500000000 ] - [ -0.0325696100000000, -0.0279509000000000, -0.0065402200000000 ] - [ -0.0014544900000000, -0.0002005700000000, 0.0001062800000000 ] - [ -0.0027305200000000, -0.0008846600000000, -0.0021903700000000 ] - [ 0.0005454500000000, -0.0001152300000000, -0.0002971400000000 ] - [ -0.0005364700000000, -0.0005496500000000, -0.0001490300000000 ] - [ -0.0003969100000000, -0.0022607000000000, -0.0026858300000000 ] - [ -0.0005181600000000, 0.0001478000000000, 0.0005625500000000 ] - [ -0.0001323500000000, 0.0000885900000000, 0.0000783900000000 ] - [ 0.0012279400000000, -0.0005016400000000, -0.0012502200000000 ] - [ -0.0018030400000000, 0.0002135000000000, 0.0025528000000000 ] - [ 0.0044964300000000, 0.0004794600000000, -0.0029782700000000 ] - [ -0.0007655700000000, 0.0001665800000000, -0.0004028300000000 ] - [ 0.0007049500000000, -0.0010299000000000, -0.0027581500000000 ] - [ -0.0004362000000000, 0.0000682200000000, 0.0007308200000000 ] - [ 0.0001010700000000, -0.0001461900000000, 0.0001323000000000 ] - [ 0.0003956600000000, -0.0006068000000000, 0.0047741700000000 ] - [ -0.0018393200000000, 0.0014399500000000, 0.0001787800000000 ] - [ -0.0031825000000000, 0.0016730600000000, -0.0015893800000000 ] - [ -0.0005891900000000, -0.0019095000000000, -0.0003478200000000 ] - [ -0.0004585300000000, -0.0012103800000000, -0.0003965000000000 ] - [ 0.0038742000000000, -0.0063252000000000, 0.0034559000000000 ] - [ -0.0005612200000000, 0.0006449800000000, -0.0005310400000000 ] - [ 0.0003611200000000, 0.0021344400000000, 0.0006521200000000 ] - [ 0.0000255100000000, 0.0011347600000000, 0.0001919000000000 ] - [ -0.0006593800000000, -0.0002351100000000, 0.0000272500000000 ] - [ 0.0039423900000000, -0.0003505200000000, 0.0031377500000000 ] - [ -0.0001454200000000, 0.0000422200000000, 0.0007955700000000 ] - [ 0.0007625300000000, -0.0001447700000000, -0.0004648000000000 ] - [ 0.0035544500000000, 0.0016066900000000, 0.0200782800000000 ] - [ -0.0004921500000000, 0.0001541000000000, -0.0006027800000000 ] - [ 0.0056639000000000, 0.0048171300000000, 0.0032985300000000 ] - [ -0.0005340300000000, 0.0004499000000000, -0.0002810300000000 ] - [ 0.0018910900000000, 0.0033440000000000, -0.0020999600000000 ] - [ -0.0002198000000000, 0.0012944000000000, 0.0002560500000000 ] - [ 0.0041326900000000, -0.0091750400000000, -0.0081964500000000 ] - [ 0.0023500400000000, -0.0024715900000000, 0.0023475600000000 ] - [ 0.0038235600000000, 0.0115127100000000, -0.0102621900000000 ] - [ 0.0008223300000000, 0.0023002100000000, 0.0015853200000000 ] - [ 0.0060204500000000, 0.0130985600000000, 0.0111990700000000 ] - [ 0.0000789400000000, 0.0005637100000000, -0.0009106000000000 ] - [ -0.0444569900000000, -0.2871015300000000, -0.0380852500000000 ] - [ 0.0012145900000000, -0.0000253500000000, 0.0001594700000000 ] - [ 0.0000108300000000, -0.0011950300000000, -0.0007002000000000 ] - [ -0.0004060800000000, -0.0009436300000000, 0.0009233600000000 ] - [ 0.0010759800000000, 0.0009407200000000, -0.0015513600000000 ] - [ 0.0016484300000000, 0.0028796100000000, 0.0036264800000000 ] - [ 0.0000328000000000, 0.0020014100000000, -0.0001703300000000 ] - [ -0.0004057400000000, 0.0011781300000000, -0.0027976900000000 ] - [ 0.0009251200000000, -0.0002152100000000, 0.0005716400000000 ] - [ -0.0053547800000000, -0.0070374600000000, -0.0133981300000000 ] - [ -0.0045325800000000, -0.0005808200000000, 0.0020610800000000 ] - [ 0.0015403200000000, -0.0021895600000000, -0.0017861900000000 ] - [ -0.0195308500000000, 0.0053327200000000, 0.0000325600000000 ] - [ 0.0019857000000000, -0.0000863800000000, -0.0002201600000000 ] - [ 0.0024265400000000, -0.0043887400000000, -0.0019896300000000 ] - [ 0.0003183400000000, -0.0011729200000000, 0.0003099900000000 ] - [ 0.0023693300000000, 0.0009412800000000, 0.0020950500000000 ] - [ 0.0137657900000000, 0.0125697700000000, 0.0047058900000000 ] - [ -0.0110247200000000, 0.0062051100000000, -0.0233168200000000 ] - [ 0.0010118000000000, -0.0000287700000000, -0.0002310600000000 ] - [ -0.0124910900000000, -0.0385300500000000, 0.0049106700000000 ] - [ 0.0018299800000000, -0.0005338800000000, -0.0000320700000000 ] - [ 0.0008126700000000, 0.0002049800000000, -0.0016402400000000 ] - [ -0.0001502800000000, -0.0001695500000000, 0.0012572400000000 ] - [ 0.0032135000000000, 0.0000194600000000, -0.0022323000000000 ] - [ -0.0034857700000000, 0.0016906900000000, -0.0023337800000000 ] - [ -0.0015242800000000, -0.0004381000000000, 0.0024161200000000 ] - [ 0.0007340900000000, 0.0001455600000000, -0.0016209500000000 ] - [ -0.0141931100000000, 0.0019217900000000, 0.0185588500000000 ] - [ 0.0014381700000000, -0.0006670400000000, -0.0006676600000000 ] - [ -0.0013705400000000, -0.0008849300000000, 0.0019963500000000 ] - [ 0.0015808600000000, -0.0009823900000000, 0.0008628600000000 ]- atom: 9 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0003467900000000, 0.0003170200000000, -0.0006860000000000 ] - [ 0.0001034000000000, 0.0000320500000000, -0.0000817200000000 ] - [ -0.0000587900000000, -0.0000241300000000, -0.0002825800000000 ] - [ 0.0003493400000000, 0.0000900900000000, -0.0006986300000000 ] - [ 0.0006149200000000, -0.0000066100000000, 0.0004751200000000 ] - [ 0.0049506500000000, -0.0008470000000000, 0.0006161400000000 ] - [ 0.0001969000000000, 0.0001507300000000, -0.0002497800000000 ] - [ -0.0001993900000000, 0.0000586300000000, 0.0002196200000000 ] - [ 0.0582629700000000, 0.0250982300000000, -0.0659642300000000 ] - [ 0.0001247300000000, -0.0002642900000000, -0.0001053500000000 ] - [ 0.0007878800000000, 0.0000618100000000, 0.0015087300000000 ] - [ 0.0003388600000000, 0.0008200400000000, -0.0003252600000000 ] - [ -0.0059999300000000, -0.0063048400000000, 0.0049315700000000 ] - [ -0.0012260400000000, -0.0001582200000000, 0.0007592000000000 ] - [ -0.0011692600000000, -0.0000691900000000, 0.0014862400000000 ] - [ -0.0003571400000000, -0.0007273500000000, 0.0006173500000000 ] - [ -0.0022708600000000, -0.0017183900000000, 0.0018780300000000 ] - [ 0.0009844700000000, 0.0003413500000000, -0.0015033700000000 ] - [ 0.0094612300000000, -0.0145345200000000, -0.0013106900000000 ] - [ -0.0004884600000000, 0.0000638500000000, -0.0005815000000000 ] - [ -0.0009491200000000, -0.0011686600000000, -0.0059624800000000 ] - [ -0.0003505900000000, -0.0000325900000000, 0.0005634700000000 ] - [ 0.0000394200000000, -0.0003700300000000, 0.0015488300000000 ] - [ 0.0007604800000000, -0.0000588700000000, 0.0002403600000000 ] - [ 0.0066397200000000, -0.0011816800000000, -0.0021239700000000 ] - [ -0.0015833900000000, 0.0006010800000000, 0.0001639100000000 ] - [ -0.0018172500000000, -0.0006160500000000, 0.0008097000000000 ] - [ 0.0002870100000000, -0.0001642000000000, 0.0003016100000000 ] - [ -0.0009427100000000, 0.0000539600000000, 0.0000718500000000 ] - [ 0.0040497600000000, -0.0010652600000000, 0.0003428100000000 ] - [ -0.0003740200000000, -0.0006690100000000, 0.0007923700000000 ] - [ -0.0002815000000000, -0.0001929500000000, 0.0002849300000000 ] - [ -0.0124716900000000, 0.0016635700000000, 0.0045135600000000 ] - [ -0.0008819000000000, 0.0006928400000000, -0.0000737600000000 ] - [ -0.0012229400000000, -0.0008730600000000, 0.0012700900000000 ] - [ 0.0003235400000000, 0.0001421200000000, 0.0000195700000000 ] - [ -0.0020289100000000, 0.0002744200000000, 0.0013128100000000 ] - [ 0.0005055500000000, -0.0007725900000000, -0.0005360300000000 ] - [ 0.0006929500000000, -0.0028693000000000, -0.0003205800000000 ] - [ -0.0011338500000000, 0.0002055500000000, 0.0004635300000000 ] - [ 0.0000018000000000, 0.0004190300000000, 0.0010147200000000 ] - [ 0.0003143400000000, 0.0000226100000000, -0.0005184000000000 ] - [ 0.0029801400000000, 0.0008323900000000, -0.0004229100000000 ] - [ -0.0011447600000000, -0.0001199500000000, 0.0002657600000000 ] - [ 0.0000043000000000, 0.0004060000000000, 0.0005437200000000 ] - [ 0.0008724100000000, -0.0000698400000000, -0.0002376100000000 ] - [ -0.0013562200000000, -0.0008138200000000, 0.0005897100000000 ] - [ 0.0002989300000000, -0.0000858100000000, -0.0003560800000000 ] - [ -0.0008804900000000, 0.0003060300000000, 0.0001388300000000 ] - [ 0.0015600300000000, -0.0008111500000000, -0.0045808600000000 ] - [ -0.0009710100000000, -0.0000119300000000, 0.0029859700000000 ] - [ 0.0005200600000000, 0.0003183900000000, 0.0002655500000000 ] - [ 0.0035534300000000, 0.0228812200000000, 0.0126733200000000 ] - [ -0.0003041300000000, -0.0001398700000000, 0.0011868400000000 ] - [ 0.0002527400000000, -0.0004791700000000, -0.0020851800000000 ] - [ -0.0010174300000000, -0.0004437900000000, 0.0007024100000000 ] - [ -0.0003462600000000, 0.0000585300000000, -0.0006659100000000 ] - [ 0.0011756500000000, -0.0017721100000000, -0.0009026100000000 ] - [ -0.0013645900000000, -0.0006297500000000, 0.0013430300000000 ] - [ 0.0002975100000000, 0.0000122800000000, -0.0001595500000000 ] - [ 0.0003098400000000, 0.0004919500000000, 0.0022794000000000 ] - [ -0.0004711700000000, 0.0006398000000000, 0.0005063700000000 ] - [ 0.0002250800000000, 0.0002848700000000, -0.0001057400000000 ] - [ -0.0001768100000000, 0.0003900600000000, 0.0003760300000000 ] - [ -0.0023311800000000, -0.0017312100000000, -0.0011859900000000 ] - [ -0.0030572400000000, -0.0022381200000000, -0.0022107100000000 ] - [ -0.0004620600000000, -0.0000018900000000, 0.0021382100000000 ] - [ 0.0004934100000000, -0.0003248200000000, 0.0004917000000000 ] - [ 0.0009605400000000, -0.0002923000000000, 0.0019036300000000 ] - [ 0.0000581700000000, 0.0000632300000000, 0.0015899700000000 ] - [ 0.0000713500000000, 0.0001026100000000, 0.0002016400000000 ] - [ -0.0001007200000000, 0.0000769800000000, -0.0000330600000000 ] - [ -0.0188799700000000, -0.0258373300000000, -0.0119308000000000 ] - [ -0.0015419400000000, -0.0001727600000000, 0.0000898600000000 ] - [ 0.0004334600000000, -0.0003481500000000, -0.0007894400000000 ] - [ -0.0011599200000000, 0.0006289100000000, -0.0000313100000000 ] - [ -0.0005285600000000, -0.0004959800000000, -0.0001279500000000 ] - [ 0.0032466800000000, 0.0010378500000000, 0.0004486300000000 ] - [ -0.0011643100000000, 0.0000123000000000, 0.0009115600000000 ] - [ 0.0003091500000000, -0.0002387600000000, 0.0003325700000000 ] - [ 0.0008782600000000, -0.0002410200000000, -0.0010634000000000 ] - [ -0.0009187900000000, 0.0000735000000000, 0.0013386600000000 ] - [ -0.0015625700000000, 0.0039223200000000, -0.0006103600000000 ] - [ -0.0005465200000000, 0.0001304500000000, -0.0005633100000000 ] - [ -0.0010285400000000, 0.0007728000000000, 0.0021824500000000 ] - [ -0.0003094400000000, -0.0000188900000000, 0.0003350500000000 ] - [ -0.0000195300000000, -0.0002323400000000, 0.0006258000000000 ] - [ 0.0004023200000000, -0.0009077500000000, 0.0036071900000000 ] - [ -0.0024696700000000, 0.0013115600000000, -0.0007100100000000 ] - [ -0.0021899500000000, 0.0005329000000000, -0.0013739500000000 ] - [ 0.0001013200000000, -0.0003034500000000, 0.0005674000000000 ] - [ 0.0000859200000000, -0.0008082900000000, -0.0000464800000000 ] - [ -0.0004004500000000, 0.0005547200000000, 0.0008196300000000 ] - [ -0.0004532000000000, 0.0007637900000000, -0.0004094500000000 ] - [ 0.0006753900000000, 0.0016504100000000, 0.0010890700000000 ] - [ 0.0001490200000000, 0.0009734800000000, 0.0005284200000000 ] - [ -0.0006616000000000, -0.0003162400000000, -0.0001444800000000 ] - [ 0.0007567100000000, -0.0001100600000000, -0.0012996300000000 ] - [ -0.0002617200000000, -0.0004224400000000, 0.0009954900000000 ] - [ 0.0004395600000000, -0.0001585500000000, -0.0004316200000000 ] - [ 0.0021542600000000, -0.0033672900000000, 0.0110073000000000 ] - [ -0.0004953600000000, 0.0001177700000000, -0.0005034700000000 ] - [ -0.0005411100000000, 0.0012619100000000, 0.0016764200000000 ] - [ -0.0003906300000000, 0.0002737200000000, -0.0001811900000000 ] - [ -0.0000774900000000, 0.0004064000000000, -0.0018573100000000 ] - [ -0.0005259500000000, 0.0007728700000000, -0.0004578100000000 ] - [ 0.0074487600000000, -0.0043389600000000, -0.0047648300000000 ] - [ 0.0020416800000000, -0.0012542700000000, 0.0019647600000000 ] - [ 0.0030881300000000, 0.0028206000000000, -0.0019530700000000 ] - [ 0.0006425100000000, 0.0012650100000000, 0.0011671500000000 ] - [ 0.0005721000000000, 0.0036298900000000, 0.0027735400000000 ] - [ 0.0018029000000000, 0.0000780500000000, -0.0013476000000000 ] - [ -0.0243507900000000, 0.0301510500000000, 0.0476090500000000 ] - [ 0.0012573600000000, 0.0001901200000000, 0.0001035400000000 ] - [ 0.0010153600000000, -0.0005520500000000, -0.0023360400000000 ] - [ -0.0009212600000000, -0.0001665100000000, 0.0005833700000000 ] - [ 0.0011596500000000, 0.0006944800000000, -0.0015895200000000 ] - [ -0.0039058800000000, 0.0001816900000000, 0.0022997800000000 ] - [ 0.0016798200000000, -0.0005593700000000, -0.0027994500000000 ] - [ -0.0005554100000000, 0.0003374500000000, -0.0017421700000000 ] - [ 0.0010856200000000, 0.0000830700000000, 0.0002727200000000 ] - [ -0.0056320700000000, -0.0007528100000000, -0.0074774200000000 ] - [ -0.0027295900000000, -0.0001172100000000, 0.0017572800000000 ] - [ 0.0020012200000000, 0.0003294600000000, -0.0014333600000000 ] - [ -0.0048294000000000, -0.0021903400000000, 0.0035595300000000 ] - [ 0.0017588700000000, -0.0002286300000000, -0.0000146200000000 ] - [ 0.0007895700000000, -0.0006283900000000, -0.0042644000000000 ] - [ 0.0000693700000000, -0.0007310100000000, -0.0004123300000000 ] - [ 0.0025967600000000, -0.0002581900000000, 0.0020102200000000 ] - [ 0.0073689000000000, 0.0065053400000000, 0.0053744200000000 ] - [ -0.0055201100000000, 0.0034730100000000, -0.0060350600000000 ] - [ 0.0011476500000000, -0.0000703000000000, -0.0012814500000000 ] - [ -0.0252313100000000, -0.0295195700000000, 0.0192786000000000 ] - [ 0.0019458100000000, -0.0004736500000000, 0.0001174200000000 ] - [ 0.0021909800000000, 0.0009475000000000, -0.0023507500000000 ] - [ -0.0008528300000000, 0.0002136900000000, 0.0002680900000000 ] - [ 0.0033079000000000, 0.0010652800000000, -0.0023602300000000 ] - [ -0.0029192500000000, 0.0012082500000000, 0.0014168600000000 ] - [ -0.0011601900000000, -0.0009456500000000, -0.0000007500000000 ] - [ 0.0008888300000000, -0.0003482100000000, -0.0022781800000000 ] - [ 0.0016031100000000, -0.0030163800000000, -0.0084463700000000 ] - [ 0.0011944700000000, -0.0004996000000000, -0.0006684900000000 ] - [ 0.0034651000000000, -0.0013343300000000, -0.0034524500000000 ] - [ -0.0003040700000000, 0.0002741300000000, 0.0003109200000000 ]- atom: 9 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0001266200000000, -0.0002874900000000, 0.0006663700000000 ] - [ -0.0003208200000000, -0.0000083400000000, 0.0000645600000000 ] - [ 0.0002791500000000, 0.0000458700000000, 0.0002989200000000 ] - [ -0.0001300300000000, -0.0000688300000000, 0.0007147400000000 ] - [ -0.0003929800000000, -0.0000172400000000, -0.0004556100000000 ] - [ -0.0047451200000000, 0.0008044200000000, -0.0006179000000000 ] - [ -0.0004143900000000, -0.0001695800000000, 0.0002307800000000 ] - [ -0.0000205000000000, -0.0000801800000000, -0.0002354500000000 ] - [ -0.0564667500000000, -0.0225846700000000, 0.0657347000000000 ] - [ 0.0010774000000000, 0.0003095800000000, -0.0002451700000000 ] - [ 0.0003991100000000, 0.0009281400000000, -0.0028457000000000 ] - [ 0.0008639000000000, 0.0001453600000000, -0.0010168800000000 ] - [ 0.0047623700000000, 0.0072172900000000, -0.0035692800000000 ] - [ 0.0000194500000000, 0.0011181700000000, 0.0005845200000000 ] - [ -0.0000379900000000, -0.0008939200000000, -0.0001397700000000 ] - [ -0.0008431400000000, -0.0002399000000000, 0.0007229900000000 ] - [ 0.0034584700000000, 0.0007522600000000, -0.0031996300000000 ] - [ 0.0002185500000000, -0.0013021500000000, 0.0001581800000000 ] - [ -0.0096156500000000, 0.0144017100000000, 0.0004201700000000 ] - [ 0.0003611500000000, -0.0000709400000000, -0.0004239400000000 ] - [ 0.0010621900000000, 0.0011545900000000, 0.0069234100000000 ] - [ 0.0004772100000000, 0.0000259300000000, 0.0004438300000000 ] - [ 0.0000866800000000, 0.0003764600000000, -0.0005418000000000 ] - [ -0.0006351800000000, 0.0000665000000000, 0.0007591500000000 ] - [ -0.0076198500000000, 0.0018195500000000, 0.0025040900000000 ] - [ 0.0005726100000000, 0.0000410800000000, 0.0002245500000000 ] - [ 0.0008109000000000, -0.0000262500000000, -0.0004206200000000 ] - [ -0.0012917600000000, -0.0004771200000000, 0.0000879400000000 ] - [ 0.0019434700000000, -0.0006937200000000, -0.0004604400000000 ] - [ -0.0030248500000000, 0.0004257700000000, -0.0007281500000000 ] - [ 0.0003909900000000, 0.0008444900000000, -0.0006623000000000 ] - [ 0.0003126300000000, 0.0003807300000000, -0.0001695400000000 ] - [ 0.0122389600000000, -0.0014607900000000, -0.0045721100000000 ] - [ 0.0008460900000000, -0.0004997800000000, -0.0000406400000000 ] - [ 0.0011910200000000, 0.0006875100000000, -0.0013860900000000 ] - [ -0.0003519500000000, -0.0003288300000000, -0.0001360600000000 ] - [ 0.0020548600000000, -0.0004672500000000, -0.0011922000000000 ] - [ -0.0004726600000000, 0.0005799600000000, 0.0006489300000000 ] - [ -0.0018855600000000, 0.0028863200000000, 0.0006706400000000 ] - [ -0.0000699400000000, -0.0001610600000000, -0.0001117000000000 ] - [ -0.0001275200000000, -0.0004110900000000, -0.0020167600000000 ] - [ -0.0004398200000000, -0.0000156400000000, -0.0004882200000000 ] - [ -0.0019513800000000, -0.0001845400000000, 0.0000360700000000 ] - [ 0.0021490600000000, 0.0007631000000000, -0.0006529200000000 ] - [ 0.0011986400000000, -0.0004485500000000, -0.0008938500000000 ] - [ 0.0003311900000000, 0.0000260700000000, -0.0001140600000000 ] - [ 0.0001488000000000, 0.0007638900000000, -0.0002376200000000 ] - [ -0.0015025700000000, 0.0000331400000000, 0.0007045300000000 ] - [ 0.0004779800000000, 0.0001156400000000, -0.0015736800000000 ] - [ -0.0019600300000000, 0.0012261700000000, 0.0031317800000000 ] - [ 0.0013731500000000, 0.0004337700000000, -0.0015499300000000 ] - [ -0.0001185200000000, 0.0001040800000000, 0.0011685600000000 ] - [ -0.0030678500000000, -0.0230656100000000, -0.0111386300000000 ] - [ 0.0007026000000000, -0.0002811800000000, 0.0002515000000000 ] - [ -0.0006536600000000, 0.0000513500000000, 0.0006412800000000 ] - [ 0.0006158000000000, 0.0000212700000000, -0.0021347500000000 ] - [ 0.0005474200000000, -0.0007920600000000, -0.0000130100000000 ] - [ -0.0009697900000000, 0.0010136300000000, 0.0002279400000000 ] - [ 0.0011652800000000, -0.0000958300000000, -0.0006628200000000 ] - [ -0.0004958700000000, -0.0007414900000000, 0.0008336300000000 ] - [ -0.0005124600000000, 0.0002633300000000, -0.0015997400000000 ] - [ 0.0002665800000000, 0.0000970200000000, 0.0001708500000000 ] - [ -0.0000234200000000, 0.0004454100000000, -0.0005706200000000 ] - [ 0.0003789100000000, 0.0003410600000000, -0.0010531100000000 ] - [ 0.0014791000000000, 0.0009600300000000, 0.0003223100000000 ] - [ 0.0021954500000000, 0.0014657500000000, 0.0013411600000000 ] - [ 0.0013105800000000, -0.0007582700000000, -0.0012884100000000 ] - [ 0.0003539500000000, -0.0004357500000000, 0.0003692300000000 ] - [ -0.0008039100000000, 0.0005781500000000, -0.0011160800000000 ] - [ 0.0000926900000000, 0.0002239400000000, -0.0008210100000000 ] - [ -0.0009174700000000, 0.0006534100000000, -0.0010601300000000 ] - [ -0.0007435200000000, 0.0006825700000000, -0.0008273100000000 ] - [ 0.0182199300000000, 0.0261650100000000, 0.0126069200000000 ] - [ 0.0008737600000000, 0.0004736800000000, 0.0004662800000000 ] - [ 0.0002293600000000, 0.0006454100000000, 0.0002287000000000 ] - [ 0.0018270100000000, -0.0003291300000000, -0.0005252200000000 ] - [ 0.0011884900000000, 0.0001921700000000, -0.0004294600000000 ] - [ -0.0025788700000000, -0.0013443200000000, -0.0010117700000000 ] - [ 0.0005005700000000, -0.0003135500000000, -0.0003535100000000 ] - [ -0.0009739900000000, -0.0000627100000000, 0.0002238700000000 ] - [ -0.0002350300000000, 0.0004107700000000, 0.0012423600000000 ] - [ 0.0015469500000000, 0.0001009300000000, -0.0011411500000000 ] - [ 0.0009534600000000, -0.0037812600000000, 0.0004225700000000 ] - [ -0.0000931100000000, 0.0000405500000000, 0.0003747600000000 ] - [ 0.0003942900000000, -0.0009463400000000, -0.0023765300000000 ] - [ -0.0003295700000000, -0.0001515000000000, -0.0005172000000000 ] - [ 0.0006566800000000, 0.0000603800000000, -0.0004395800000000 ] - [ 0.0002374600000000, 0.0007348700000000, -0.0033947400000000 ] - [ 0.0022684100000000, -0.0027194200000000, 0.0006849100000000 ] - [ 0.0019870000000000, -0.0019505200000000, 0.0013448500000000 ] - [ 0.0000831800000000, -0.0011303400000000, -0.0005445700000000 ] - [ 0.0001035500000000, -0.0006189000000000, 0.0000695100000000 ] - [ 0.0005993400000000, 0.0008547300000000, -0.0007904700000000 ] - [ 0.0006390500000000, 0.0006629300000000, 0.0004304400000000 ] - [ -0.0008667000000000, -0.0002225100000000, -0.0011138200000000 ] - [ -0.0003361600000000, 0.0004552000000000, -0.0005509900000000 ] - [ 0.0008085100000000, 0.0000264100000000, 0.0009097700000000 ] - [ -0.0006013500000000, -0.0001801700000000, 0.0020739400000000 ] - [ 0.0001118700000000, 0.0001358500000000, -0.0017596200000000 ] - [ -0.0005851000000000, -0.0001303300000000, -0.0003361100000000 ] - [ -0.0022738000000000, 0.0035891400000000, -0.0116128800000000 ] - [ 0.0003428500000000, 0.0001704000000000, -0.0002667000000000 ] - [ 0.0014073000000000, -0.0004802700000000, -0.0008017000000000 ] - [ 0.0012330400000000, 0.0004877300000000, 0.0010396900000000 ] - [ -0.0006334800000000, 0.0000797700000000, 0.0015016700000000 ] - [ -0.0002024400000000, -0.0002965300000000, 0.0001145300000000 ] - [ -0.0066913800000000, 0.0047455500000000, 0.0050500900000000 ] - [ -0.0013049500000000, 0.0017172300000000, -0.0016143200000000 ] - [ -0.0038073500000000, -0.0032596100000000, 0.0015917300000000 ] - [ -0.0013610800000000, -0.0017270700000000, -0.0015040400000000 ] - [ -0.0003362300000000, -0.0034438700000000, -0.0034197200000000 ] - [ -0.0015817000000000, 0.0000666500000000, 0.0006759600000000 ] - [ 0.0240155400000000, -0.0315312100000000, -0.0474604200000000 ] - [ -0.0014751800000000, -0.0000473000000000, 0.0005624900000000 ] - [ -0.0012382900000000, 0.0004055500000000, 0.0030008700000000 ] - [ 0.0006990800000000, 0.0000213500000000, 0.0000864500000000 ] - [ -0.0009318500000000, -0.0008336700000000, 0.0009190200000000 ] - [ 0.0041282500000000, -0.0003152200000000, -0.0029505400000000 ] - [ -0.0009783100000000, 0.0007529500000000, 0.0014644800000000 ] - [ 0.0012557500000000, -0.0001462900000000, 0.0003969800000000 ] - [ -0.0017811100000000, 0.0001032900000000, 0.0010628300000000 ] - [ 0.0048938800000000, 0.0008997400000000, 0.0087485700000000 ] - [ 0.0020062100000000, -0.0000720900000000, -0.0004165200000000 ] - [ -0.0026997300000000, -0.0005319500000000, 0.0027568100000000 ] - [ 0.0055198300000000, 0.0020334800000000, -0.0049068800000000 ] - [ -0.0010501200000000, 0.0000422900000000, -0.0013172100000000 ] - [ -0.0000514900000000, 0.0001399600000000, 0.0046170500000000 ] - [ 0.0006539700000000, 0.0002554700000000, 0.0007558500000000 ] - [ -0.0023535100000000, 0.0011683500000000, -0.0009906700000000 ] - [ -0.0070656200000000, -0.0055462300000000, -0.0043445600000000 ] - [ 0.0049907400000000, -0.0042261300000000, 0.0053645100000000 ] - [ -0.0016367500000000, -0.0006926100000000, 0.0007329400000000 ] - [ 0.0253509300000000, 0.0277942700000000, -0.0187244700000000 ] - [ -0.0014467600000000, -0.0002909500000000, 0.0004265400000000 ] - [ -0.0016969900000000, -0.0001874400000000, 0.0028917000000000 ] - [ 0.0013411200000000, 0.0005496300000000, 0.0002815700000000 ] - [ -0.0037851000000000, -0.0002937200000000, 0.0018062200000000 ] - [ 0.0024179600000000, -0.0004391800000000, -0.0019626000000000 ] - [ 0.0013975600000000, 0.0000353200000000, 0.0010156300000000 ] - [ -0.0006503800000000, -0.0005644400000000, 0.0032794600000000 ] - [ -0.0018876100000000, 0.0021043100000000, 0.0074943300000000 ] - [ -0.0014237900000000, -0.0004161200000000, -0.0003432800000000 ] - [ -0.0037188000000000, 0.0022577200000000, 0.0024492000000000 ] - [ 0.0000667900000000, 0.0006374700000000, -0.0013184800000000 ]- atom: 11 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0002947600000000, 0.0000819800000000, 0.0003757300000000 ] - [ 0.0004238500000000, 0.0000486500000000, -0.0004943400000000 ] - [ 0.0014394100000000, -0.0010489000000000, -0.0011375400000000 ] - [ -0.0006777000000000, -0.0000455000000000, 0.0002501700000000 ] - [ -0.0003694500000000, -0.0000876900000000, 0.0006877200000000 ] - [ 0.0003922400000000, -0.0003919300000000, -0.0014185500000000 ] - [ -0.0000132500000000, 0.0000725500000000, -0.0006899000000000 ] - [ -0.0012037900000000, 0.0003632400000000, 0.0002174700000000 ] - [ -0.0006584600000000, 0.0018173800000000, -0.0008224700000000 ] - [ 0.0010915100000000, 0.0002878400000000, -0.0001509200000000 ] - [ -0.1763636500000000, 0.1580404000000000, 0.1312191600000000 ] - [ 0.0019680600000000, -0.0003601600000000, -0.0011790000000000 ] - [ -0.0002357200000000, 0.0007527500000000, -0.0003356000000000 ] - [ -0.0006389200000000, 0.0003003100000000, 0.0010462200000000 ] - [ -0.0039661200000000, 0.0033886700000000, 0.0031074600000000 ] - [ 0.0007511700000000, -0.0013525200000000, 0.0003604600000000 ] - [ 0.0014500600000000, 0.0003513100000000, -0.0019802800000000 ] - [ 0.0004276700000000, -0.0007339500000000, -0.0001464900000000 ] - [ -0.0058586800000000, 0.0023949000000000, -0.0118546700000000 ] - [ 0.0007124900000000, -0.0002882100000000, 0.0002382100000000 ] - [ -0.0013649800000000, -0.0023462200000000, -0.0016775900000000 ] - [ 0.0011959100000000, 0.0004342900000000, 0.0015938300000000 ] - [ -0.0012714800000000, 0.0025440200000000, -0.0038957700000000 ] - [ 0.0008679200000000, -0.0005075800000000, 0.0019125800000000 ] - [ -0.0028393800000000, 0.0004091400000000, 0.0006435900000000 ] - [ 0.0004971800000000, 0.0000924600000000, -0.0001082000000000 ] - [ 0.0036298100000000, 0.0011747300000000, -0.0004182300000000 ] - [ 0.0021285700000000, 0.0000168700000000, 0.0022312800000000 ] - [ -0.0001623700000000, -0.0006210000000000, -0.0007029600000000 ] - [ 0.0005955500000000, -0.0002348000000000, -0.0002367700000000 ] - [ -0.0111242600000000, -0.0046042400000000, 0.0047424600000000 ] - [ 0.0016219400000000, 0.0007528800000000, -0.0003789900000000 ] - [ 0.0004747800000000, -0.0000346800000000, -0.0011024400000000 ] - [ 0.0000302500000000, 0.0001843400000000, 0.0003472300000000 ] - [ 0.0234829600000000, -0.0017402400000000, -0.0310416800000000 ] - [ 0.0015325500000000, 0.0005995600000000, -0.0002992100000000 ] - [ 0.0009869700000000, -0.0007881200000000, -0.0010254400000000 ] - [ -0.0001346900000000, 0.0000374200000000, 0.0005334200000000 ] - [ 0.0063395900000000, -0.0164748400000000, -0.0014909500000000 ] - [ 0.0005726700000000, -0.0007148400000000, 0.0002384800000000 ] - [ -0.0003791500000000, -0.0013421800000000, -0.0032857400000000 ] - [ 0.0003048900000000, 0.0004888000000000, 0.0006897600000000 ] - [ 0.0150937700000000, 0.0018543700000000, -0.0028478400000000 ] - [ 0.0032297600000000, 0.0012605500000000, 0.0002260200000000 ] - [ 0.0038371100000000, -0.0018064600000000, -0.0014017500000000 ] - [ 0.0007301300000000, 0.0006404600000000, 0.0003757500000000 ] - [ -0.0008386900000000, 0.0006513000000000, -0.0006776700000000 ] - [ -0.0005501800000000, -0.0003090500000000, 0.0005072900000000 ] - [ 0.0005070400000000, -0.0000337800000000, -0.0035653800000000 ] - [ -0.0006568700000000, 0.0002740200000000, 0.0004440800000000 ] - [ 0.0027856200000000, -0.0001674000000000, -0.0018668700000000 ] - [ 0.0003456300000000, 0.0003592300000000, 0.0016161000000000 ] - [ 0.0001512800000000, 0.0001519000000000, -0.0022192500000000 ] - [ 0.0002246700000000, -0.0001525800000000, 0.0009672100000000 ] - [ -0.0020714600000000, -0.0025006600000000, 0.0029683000000000 ] - [ 0.0009733500000000, -0.0001277500000000, -0.0014225300000000 ] - [ 0.0007600300000000, -0.0008880800000000, -0.0010651200000000 ] - [ -0.0004737600000000, -0.0010025100000000, 0.0005149900000000 ] - [ 0.0019446800000000, 0.0016935000000000, 0.0020226300000000 ] - [ 0.0026497900000000, 0.0019593000000000, 0.0000209700000000 ] - [ 0.0001247400000000, 0.0005048500000000, -0.0001860300000000 ] - [ -0.0008823000000000, 0.0006939900000000, 0.0001064400000000 ] - [ -0.0013459500000000, -0.0031228600000000, 0.0019072300000000 ] - [ 0.0011661400000000, 0.0009889300000000, -0.0006568600000000 ] - [ -0.0003713200000000, -0.0007532800000000, -0.0013901000000000 ] - [ -0.0002001000000000, -0.0001796500000000, 0.0000782100000000 ] - [ 0.0244851000000000, -0.0357726500000000, -0.0011213400000000 ] - [ 0.0022084400000000, -0.0010601800000000, 0.0011997500000000 ] - [ 0.0076057200000000, -0.0089306100000000, 0.0146660100000000 ] - [ 0.0011775800000000, 0.0000284000000000, 0.0008027500000000 ] - [ -0.0038929600000000, 0.0001316400000000, -0.0008596800000000 ] - [ 0.0012472000000000, -0.0003317700000000, 0.0001974900000000 ] - [ -0.0037982400000000, 0.0003905900000000, 0.0003020100000000 ] - [ 0.0008647500000000, 0.0003912500000000, 0.0000297900000000 ] - [ 0.0030133800000000, -0.0024628300000000, 0.0002803700000000 ] - [ 0.0039236500000000, -0.0020349000000000, 0.0004211400000000 ] - [ -0.0012471700000000, -0.0001901900000000, -0.0008778700000000 ] - [ 0.0006188600000000, -0.0002814200000000, -0.0003243500000000 ] - [ 0.0023231500000000, -0.0013355500000000, -0.0001716600000000 ] - [ -0.0014559200000000, 0.0002630300000000, 0.0007168400000000 ] - [ 0.0039739500000000, -0.0015089200000000, -0.0033121200000000 ] - [ 0.0001462600000000, 0.0012219300000000, 0.0026695800000000 ] - [ -0.0015300500000000, -0.0017872200000000, 0.0040990200000000 ] - [ 0.0004903200000000, 0.0006000200000000, -0.0013615000000000 ] - [ 0.0008585400000000, -0.0005586100000000, -0.0016442000000000 ] - [ -0.0013012400000000, 0.0011195500000000, 0.0043472800000000 ] - [ -0.0005023400000000, -0.0007323200000000, 0.0008831200000000 ] - [ 0.0008290500000000, 0.0002153600000000, -0.0008296100000000 ] - [ -0.0000347600000000, -0.0003992200000000, -0.0009713300000000 ] - [ -0.0000199700000000, -0.0007403200000000, 0.0006555500000000 ] - [ -0.0023961300000000, -0.0052878200000000, 0.0001259400000000 ] - [ 0.0015078400000000, -0.0000528200000000, 0.0004789000000000 ] - [ 0.0001541700000000, 0.0007174500000000, -0.0006618300000000 ] - [ 0.0001019000000000, 0.0006163600000000, 0.0004975800000000 ] - [ -0.0109256600000000, 0.0030638400000000, 0.0034052800000000 ] - [ 0.0012398600000000, 0.0013673700000000, 0.0003880100000000 ] - [ -0.0000449300000000, -0.0003528600000000, -0.0011643900000000 ] - [ -0.0000379500000000, -0.0002714200000000, 0.0019141400000000 ] - [ 0.0023777600000000, 0.0005998000000000, 0.0018379300000000 ] - [ 0.0028948600000000, -0.0005494500000000, 0.0022025700000000 ] - [ -0.0004275500000000, 0.0001179900000000, -0.0014847400000000 ] - [ -0.0002722500000000, 0.0000338200000000, -0.0004459700000000 ] - [ 0.0005525600000000, 0.0003271700000000, -0.0003128800000000 ] - [ 0.0006137800000000, 0.0006342300000000, 0.0008809400000000 ] - [ 0.0098365600000000, 0.0028958400000000, -0.0045352500000000 ] - [ -0.0033384000000000, 0.0006040800000000, -0.0002323900000000 ] - [ -0.0005315400000000, -0.0002441500000000, 0.0026755800000000 ] - [ 0.0001530500000000, 0.0002112000000000, -0.0010534200000000 ] - [ -0.0011466600000000, 0.0002282800000000, 0.0021487500000000 ] - [ -0.0005021700000000, -0.0002680800000000, -0.0012884200000000 ] - [ 0.0000849700000000, 0.0099728400000000, -0.0030130200000000 ] - [ -0.0035911600000000, 0.0002085300000000, -0.0005935600000000 ] - [ 0.0070523600000000, -0.0051393300000000, 0.0061291100000000 ] - [ -0.0016425100000000, 0.0001083300000000, 0.0000117100000000 ] - [ -0.0037340700000000, 0.0032675600000000, 0.0042864200000000 ] - [ -0.0000048000000000, -0.0011770500000000, -0.0014965900000000 ] - [ 0.0024952200000000, -0.0019995000000000, 0.0040750600000000 ] - [ -0.0003696900000000, 0.0005700400000000, -0.0016770600000000 ] - [ -0.0034860400000000, 0.0003773900000000, 0.0001282500000000 ] - [ -0.0022041000000000, 0.0025483000000000, -0.0142056100000000 ] - [ 0.0011807400000000, 0.0007306700000000, 0.0008136800000000 ] - [ -0.0005531300000000, -0.0002572700000000, 0.0018424400000000 ] - [ -0.0130803200000000, -0.0006363900000000, 0.0008399500000000 ] - [ -0.0044703300000000, -0.0027013200000000, -0.0029291200000000 ] - [ 0.0032553700000000, 0.0021943200000000, -0.0038661800000000 ] - [ -0.0008913000000000, -0.0000207800000000, 0.0012156700000000 ] - [ 0.1148821400000000, -0.0782645500000000, -0.0806130100000000 ] - [ -0.0025822200000000, 0.0000293800000000, 0.0000943000000000 ] - [ -0.0022128500000000, 0.0008335500000000, 0.0049421100000000 ] - [ 0.0017442600000000, 0.0007810300000000, -0.0022159900000000 ] - [ 0.0315059500000000, -0.0201915700000000, -0.0148737000000000 ] - [ -0.0040402900000000, -0.0005304700000000, -0.0005565500000000 ] - [ 0.0022522300000000, -0.0010003600000000, 0.0033636500000000 ] - [ -0.0008538200000000, -0.0003482700000000, -0.0005151700000000 ] - [ -0.0132612900000000, -0.0134040300000000, 0.0052167900000000 ] - [ -0.0036026500000000, -0.0000647600000000, -0.0024181400000000 ] - [ -0.0007560800000000, 0.0007590100000000, 0.0036196200000000 ] - [ -0.0004658700000000, 0.0003801200000000, -0.0021355900000000 ] - [ 0.0064712500000000, 0.0035476000000000, -0.0007806200000000 ] - [ -0.0033611100000000, -0.0003365000000000, 0.0008274600000000 ] - [ -0.0012807600000000, -0.0003099500000000, 0.0024859200000000 ] - [ 0.0016937200000000, -0.0009295200000000, -0.0021861700000000 ] - [ -0.0146350900000000, 0.0099418300000000, -0.0086371500000000 ] - [ -0.0038253900000000, -0.0004700000000000, -0.0013695700000000 ]- atom: 11 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ 0.0000759300000000, -0.0000592700000000, -0.0003931100000000 ] - [ -0.0006433300000000, -0.0000291500000000, 0.0004755200000000 ] - [ -0.0012427800000000, 0.0010853300000000, 0.0011351600000000 ] - [ 0.0008982900000000, 0.0000683500000000, -0.0002333300000000 ] - [ 0.0005907700000000, 0.0000657400000000, -0.0006737900000000 ] - [ -0.0001721500000000, 0.0003697300000000, 0.0014357900000000 ] - [ -0.0002040400000000, -0.0000957700000000, 0.0006739300000000 ] - [ 0.0009887600000000, -0.0003897800000000, -0.0002343100000000 ] - [ 0.0018661600000000, -0.0017825200000000, 0.0004659400000000 ] - [ 0.0001100800000000, -0.0002445800000000, -0.0001981000000000 ] - [ 0.1769595600000000, -0.1546195300000000, -0.1294957600000000 ] - [ -0.0007677700000000, 0.0013259700000000, -0.0001623100000000 ] - [ -0.0009646700000000, 0.0002141200000000, 0.0016784600000000 ] - [ -0.0005626100000000, 0.0006642500000000, 0.0002971800000000 ] - [ 0.0027499100000000, -0.0043468500000000, -0.0017621900000000 ] - [ -0.0019547600000000, 0.0003890400000000, 0.0009802600000000 ] - [ -0.0002509500000000, -0.0013196600000000, 0.0006418400000000 ] - [ 0.0007753100000000, -0.0002306300000000, -0.0011952900000000 ] - [ 0.0057893100000000, -0.0024220800000000, 0.0108872100000000 ] - [ -0.0008394300000000, 0.0002807000000000, -0.0012416900000000 ] - [ 0.0015008300000000, 0.0023569900000000, 0.0026820500000000 ] - [ -0.0010690200000000, -0.0004401600000000, -0.0005860900000000 ] - [ 0.0013953500000000, -0.0025341300000000, 0.0048990800000000 ] - [ -0.0007426100000000, 0.0005156600000000, -0.0009116800000000 ] - [ 0.0018348200000000, 0.0002318200000000, -0.0002557100000000 ] - [ -0.0015085500000000, 0.0005501500000000, 0.0004993000000000 ] - [ -0.0046387000000000, -0.0018152900000000, 0.0008064800000000 ] - [ -0.0031408200000000, -0.0006569600000000, -0.0018542000000000 ] - [ 0.0011601300000000, -0.0000179500000000, 0.0003194300000000 ] - [ 0.0004150600000000, -0.0004068800000000, -0.0001526900000000 ] - [ 0.0111753100000000, 0.0047268100000000, -0.0046394400000000 ] - [ -0.0015935300000000, -0.0005653700000000, 0.0004955000000000 ] - [ -0.0005037100000000, 0.0002219000000000, 0.0009880600000000 ] - [ -0.0000606200000000, 0.0000043300000000, -0.0004618300000000 ] - [ -0.0233795600000000, 0.0015079200000000, 0.0304570800000000 ] - [ -0.0015650600000000, -0.0007893400000000, 0.0001821700000000 ] - [ -0.0009594500000000, 0.0006027900000000, 0.0011441300000000 ] - [ 0.0001674100000000, -0.0002262800000000, -0.0004175900000000 ] - [ -0.0076097100000000, 0.0166427300000000, 0.0018650200000000 ] - [ -0.0017773100000000, 0.0007621700000000, 0.0001132700000000 ] - [ 0.0002500800000000, 0.0013486600000000, 0.0022811100000000 ] - [ -0.0004240500000000, -0.0004815500000000, -0.0016942300000000 ] - [ -0.0142514000000000, -0.0012181100000000, 0.0025024500000000 ] - [ -0.0022226300000000, -0.0006197300000000, -0.0006147900000000 ] - [ -0.0026344600000000, 0.0017579500000000, 0.0010513600000000 ] - [ 0.0004812700000000, -0.0006953800000000, -0.0007304000000000 ] - [ -0.0003674900000000, -0.0006943300000000, 0.0010311200000000 ] - [ -0.0006516300000000, 0.0002661300000000, -0.0001574100000000 ] - [ -0.0009122900000000, 0.0004568800000000, 0.0021370500000000 ] - [ 0.0002577200000000, 0.0001470000000000, -0.0018828400000000 ] - [ -0.0023898700000000, 0.0005896100000000, 0.0033011300000000 ] - [ 0.0000636200000000, 0.0000616900000000, -0.0001911500000000 ] - [ 0.0002500800000000, -0.0005764300000000, 0.0036615200000000 ] - [ 0.0001734800000000, -0.0002684900000000, 0.0004751200000000 ] - [ 0.0016955700000000, 0.0021055100000000, -0.0044498300000000 ] - [ -0.0013751000000000, -0.0002930600000000, -0.0000126500000000 ] - [ -0.0005606300000000, 0.0001578100000000, 0.0003903800000000 ] - [ 0.0006766200000000, 0.0002684700000000, -0.0011935800000000 ] - [ -0.0021475600000000, -0.0024262400000000, -0.0013445600000000 ] - [ -0.0028672200000000, -0.0027109600000000, 0.0006561800000000 ] - [ -0.0003259400000000, 0.0002287400000000, 0.0008639200000000 ] - [ 0.0006810400000000, 0.0000334100000000, 0.0005848700000000 ] - [ 0.0015655700000000, 0.0039039400000000, -0.0025937100000000 ] - [ -0.0009639200000000, -0.0002536700000000, -0.0000208700000000 ] - [ -0.0004738600000000, -0.0000061700000000, 0.0005321200000000 ] - [ -0.0006446400000000, -0.0005813500000000, -0.0009388300000000 ] - [ -0.0235455700000000, 0.0345650300000000, 0.0019581000000000 ] - [ -0.0013641300000000, 0.0002988900000000, -0.0003402700000000 ] - [ -0.0075077900000000, 0.0093137700000000, -0.0140408700000000 ] - [ -0.0010273000000000, 0.0002599600000000, -0.0000333000000000 ] - [ 0.0030333300000000, 0.0006486600000000, -0.0000063800000000 ] - [ -0.0020965900000000, 0.0010955700000000, -0.0010611500000000 ] - [ 0.0031454300000000, -0.0000907700000000, 0.0002571200000000 ] - [ -0.0015343000000000, -0.0000913500000000, 0.0005297000000000 ] - [ -0.0023544900000000, 0.0027783400000000, -0.0008444400000000 ] - [ -0.0032629100000000, 0.0023363600000000, -0.0009797800000000 ] - [ 0.0019074800000000, -0.0001121300000000, 0.0003223900000000 ] - [ 0.0000464600000000, -0.0000202500000000, -0.0002337200000000 ] - [ -0.0029897600000000, 0.0010339200000000, 0.0007292000000000 ] - [ 0.0008255300000000, -0.0005699200000000, -0.0001555700000000 ] - [ -0.0033629500000000, 0.0016948800000000, 0.0035191700000000 ] - [ 0.0004916800000000, -0.0010482300000000, -0.0024823300000000 ] - [ 0.0008905100000000, 0.0019603800000000, -0.0042870600000000 ] - [ -0.0011307400000000, -0.0004301800000000, 0.0011789900000000 ] - [ -0.0014968100000000, 0.0003861100000000, 0.0014588300000000 ] - [ 0.0006704800000000, -0.0012994600000000, -0.0045479500000000 ] - [ 0.0011412700000000, 0.0005665800000000, -0.0006719600000000 ] - [ -0.0001897300000000, -0.0003869500000000, 0.0010149400000000 ] - [ -0.0001541500000000, -0.0010293900000000, 0.0009514700000000 ] - [ -0.0001687000000000, -0.0006868600000000, -0.0006786600000000 ] - [ 0.0025739700000000, 0.0038519400000000, -0.0001076300000000 ] - [ -0.0013196300000000, -0.0013738500000000, -0.0004560800000000 ] - [ 0.0000366300000000, 0.0007089600000000, 0.0006868400000000 ] - [ 0.0000904100000000, 0.0008087700000000, -0.0004720500000000 ] - [ 0.0107737000000000, -0.0013825000000000, -0.0032397100000000 ] - [ -0.0014317900000000, 0.0000572700000000, -0.0004133800000000 ] - [ 0.0001951700000000, 0.0000660400000000, 0.0019392000000000 ] - [ 0.0001897300000000, -0.0000166200000000, -0.0011442200000000 ] - [ -0.0025293200000000, -0.0008886100000000, -0.0026093100000000 ] - [ -0.0030615800000000, 0.0002635200000000, -0.0029916000000000 ] - [ 0.0002788700000000, 0.0001706800000000, 0.0007155400000000 ] - [ 0.0001240400000000, 0.0002549700000000, -0.0003111000000000 ] - [ 0.0002955100000000, 0.0004344700000000, 0.0011763400000000 ] - [ 0.0002359900000000, 0.0001284800000000, -0.0000170500000000 ] - [ -0.0105135700000000, -0.0024233300000000, 0.0041849700000000 ] - [ 0.0026180300000000, -0.0001333700000000, -0.0001105300000000 ] - [ 0.0012574100000000, 0.0007211200000000, -0.0023385000000000 ] - [ 0.0005703900000000, 0.0002610500000000, 0.0013942300000000 ] - [ 0.0004213700000000, -0.0007054000000000, -0.0024991500000000 ] - [ -0.0002261500000000, -0.0002045700000000, 0.0009416300000000 ] - [ 0.0001251000000000, -0.0098870800000000, 0.0023827900000000 ] - [ 0.0038160300000000, -0.0000666700000000, -0.0000762600000000 ] - [ -0.0072921100000000, 0.0053083600000000, -0.0054708900000000 ] - [ 0.0014271900000000, 0.0000366800000000, 0.0006499100000000 ] - [ 0.0035192200000000, -0.0034101800000000, -0.0036203900000000 ] - [ -0.0002483900000000, 0.0010433500000000, 0.0021744000000000 ] - [ -0.0022646300000000, 0.0018524300000000, -0.0047502300000000 ] - [ 0.0005917900000000, -0.0007162100000000, 0.0010125000000000 ] - [ 0.0041903200000000, -0.0001904800000000, -0.0014638000000000 ] - [ 0.0029042700000000, -0.0023742700000000, 0.0129470100000000 ] - [ -0.0018725700000000, -0.0005362700000000, 0.0004934100000000 ] - [ -0.0001515200000000, 0.0004453000000000, -0.0005067700000000 ] - [ 0.0124566200000000, 0.0004586900000000, 0.0005066300000000 ] - [ 0.0037660400000000, 0.0025120500000000, 0.0042634600000000 ] - [ -0.0025556500000000, -0.0023836100000000, 0.0025331300000000 ] - [ 0.0015993600000000, -0.0001694300000000, -0.0025584900000000 ] - [ -0.1130976400000000, 0.0743067900000000, 0.0775967400000000 ] - [ 0.0033128600000000, -0.0005015700000000, 0.0002509200000000 ] - [ 0.0024601500000000, 0.0000806200000000, -0.0039524000000000 ] - [ -0.0015110300000000, 0.0001329500000000, 0.0032263300000000 ] - [ -0.0325468800000000, 0.0206223400000000, 0.0149871400000000 ] - [ 0.0035527100000000, -0.0002344000000000, 0.0000071700000000 ] - [ -0.0017688000000000, 0.0002322900000000, -0.0028153700000000 ] - [ 0.0013476300000000, -0.0004172100000000, 0.0010517800000000 ] - [ 0.0137628900000000, 0.0141606500000000, -0.0046764300000000 ] - [ 0.0040995900000000, 0.0008337100000000, 0.0029830800000000 ] - [ 0.0002760500000000, 0.0000015100000000, -0.0041757900000000 ] - [ -0.0000311500000000, 0.0003828300000000, 0.0015876500000000 ] - [ -0.0063114600000000, -0.0045986200000000, 0.0017736800000000 ] - [ 0.0036029500000000, -0.0005801200000000, 0.0001845200000000 ] - [ 0.0010444100000000, -0.0006054100000000, -0.0035011700000000 ] - [ -0.0019334900000000, 0.0000233700000000, 0.0011674900000000 ] - [ 0.0144068700000000, -0.0090221600000000, 0.0076371400000000 ] - [ 0.0035936100000000, 0.0013931700000000, 0.0003689700000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000279600000000, -0.0001064400000000, -0.0003068200000000 ] - [ -0.0004139500000000, -0.0005487800000000, 0.0001505200000000 ] - [ -0.0025118500000000, 0.0028611600000000, -0.0017340000000000 ] - [ 0.0005724000000000, 0.0001586100000000, -0.0002188100000000 ] - [ 0.0005052900000000, 0.0000867200000000, -0.0004541200000000 ] - [ -0.0002170700000000, 0.0006952900000000, 0.0011609300000000 ] - [ -0.0007332800000000, -0.0005617700000000, 0.0002465000000000 ] - [ 0.0009435200000000, -0.0003529500000000, -0.0001577100000000 ] - [ 0.0013144800000000, -0.0032318900000000, -0.0002104200000000 ] - [ 0.0001702900000000, -0.0003483200000000, -0.0000648500000000 ] - [ 0.1555261500000000, -0.2596296500000000, -0.1671737700000000 ] - [ -0.0002453200000000, 0.0009950600000000, -0.0003213200000000 ] - [ -0.0008726400000000, 0.0004985700000000, 0.0013807700000000 ] - [ -0.0004183200000000, 0.0007597100000000, 0.0004723300000000 ] - [ 0.0032920900000000, -0.0018622100000000, -0.0028190700000000 ] - [ -0.0014742800000000, 0.0000821600000000, 0.0008523100000000 ] - [ -0.0002384400000000, -0.0012947900000000, 0.0003368700000000 ] - [ 0.0008535300000000, -0.0003798900000000, -0.0008702400000000 ] - [ 0.0040986200000000, -0.0042450300000000, 0.0152133600000000 ] - [ -0.0005343100000000, 0.0001080800000000, -0.0007919200000000 ] - [ 0.0014949600000000, 0.0035957900000000, 0.0012312100000000 ] - [ -0.0008079200000000, -0.0002569900000000, -0.0001268200000000 ] - [ 0.0005295200000000, -0.0010840700000000, 0.0021716500000000 ] - [ -0.0003725700000000, 0.0002729600000000, -0.0002743100000000 ] - [ 0.0014251400000000, 0.0006594500000000, -0.0001249500000000 ] - [ -0.0014345400000000, 0.0005923400000000, 0.0004943200000000 ] - [ -0.0022252500000000, -0.0009608200000000, 0.0004995000000000 ] - [ -0.0031417100000000, -0.0003882400000000, -0.0022437000000000 ] - [ -0.0003148400000000, 0.0000027700000000, 0.0006196600000000 ] - [ 0.0008275100000000, -0.0005203600000000, -0.0001262800000000 ] - [ 0.0134314000000000, 0.0235500100000000, -0.0059999500000000 ] - [ -0.0010234700000000, -0.0003011300000000, 0.0003753100000000 ] - [ -0.0003951300000000, 0.0000736000000000, 0.0005992900000000 ] - [ 0.0001369600000000, -0.0000933700000000, -0.0002781600000000 ] - [ -0.0067666300000000, -0.0099987700000000, 0.0048847100000000 ] - [ -0.0009782000000000, -0.0006194200000000, 0.0000717900000000 ] - [ -0.0009767700000000, 0.0006539400000000, 0.0009400600000000 ] - [ 0.0002581200000000, -0.0000809300000000, -0.0001368100000000 ] - [ -0.0100125200000000, 0.0217894100000000, 0.0018966700000000 ] - [ -0.0016651300000000, 0.0009851800000000, 0.0002095400000000 ] - [ -0.0000405400000000, 0.0006896500000000, 0.0015897000000000 ] - [ 0.0006831500000000, -0.0000170900000000, -0.0005839900000000 ] - [ -0.0107022200000000, -0.0053279800000000, 0.0003477300000000 ] - [ -0.0009283500000000, -0.0005238700000000, -0.0002333700000000 ] - [ -0.0003767000000000, -0.0004411400000000, 0.0006610700000000 ] - [ 0.0014100100000000, -0.0014198600000000, -0.0006142500000000 ] - [ -0.0006536900000000, 0.0000621700000000, 0.0006449700000000 ] - [ -0.0004188700000000, 0.0005160300000000, 0.0000052000000000 ] - [ -0.0008424200000000, 0.0004774300000000, 0.0010325600000000 ] - [ 0.0001751700000000, 0.0003077100000000, -0.0011566100000000 ] - [ -0.0031832400000000, 0.0000364700000000, 0.0044800200000000 ] - [ 0.0010972300000000, 0.0002649600000000, -0.0008193000000000 ] - [ 0.0001635800000000, -0.0009564600000000, 0.0045442300000000 ] - [ 0.0000510400000000, -0.0003282100000000, 0.0008497700000000 ] - [ 0.0031581200000000, 0.0045287300000000, -0.0078516900000000 ] - [ -0.0012553800000000, -0.0002500400000000, 0.0001190000000000 ] - [ -0.0005097300000000, 0.0002070100000000, 0.0001650400000000 ] - [ 0.0006811900000000, 0.0007851600000000, -0.0006992000000000 ] - [ -0.0022002900000000, -0.0036042000000000, -0.0010429500000000 ] - [ -0.0023370900000000, -0.0024548600000000, 0.0004876900000000 ] - [ -0.0001329300000000, -0.0000321000000000, 0.0008262000000000 ] - [ 0.0003982600000000, -0.0009072000000000, 0.0019453500000000 ] - [ 0.0020414700000000, 0.0066497200000000, -0.0017248500000000 ] - [ -0.0003844100000000, 0.0002875400000000, -0.0000428100000000 ] - [ -0.0007218900000000, -0.0001169600000000, 0.0002621300000000 ] - [ -0.0000175600000000, -0.0001702100000000, -0.0004200000000000 ] - [ -0.0425108500000000, 0.0342597500000000, 0.0020068500000000 ] - [ -0.0006886600000000, 0.0000291400000000, -0.0001233100000000 ] - [ -0.0103992000000000, 0.0073326800000000, -0.0165089500000000 ] - [ -0.0003822000000000, 0.0002163700000000, 0.0004764300000000 ] - [ -0.0015114000000000, 0.0064788400000000, -0.0044526900000000 ] - [ -0.0014916400000000, 0.0008687900000000, -0.0008033800000000 ] - [ 0.0034027500000000, -0.0004195800000000, 0.0011749500000000 ] - [ -0.0014130000000000, -0.0001502300000000, 0.0004635600000000 ] - [ -0.0021004700000000, 0.0033461800000000, -0.0013160500000000 ] - [ -0.0035957200000000, 0.0028411000000000, -0.0008748900000000 ] - [ 0.0007689900000000, -0.0001257500000000, -0.0000335200000000 ] - [ 0.0004080300000000, 0.0001243100000000, -0.0000956800000000 ] - [ -0.0022814400000000, 0.0003240300000000, 0.0008887300000000 ] - [ 0.0037231900000000, -0.0004334200000000, 0.0006220800000000 ] - [ -0.0021543800000000, 0.0009023800000000, 0.0022689300000000 ] - [ 0.0009245400000000, -0.0009805000000000, -0.0012783000000000 ] - [ 0.0007892600000000, 0.0022223300000000, -0.0043878800000000 ] - [ -0.0009200600000000, -0.0002458700000000, 0.0007126100000000 ] - [ -0.0009397000000000, 0.0002194100000000, 0.0010496300000000 ] - [ 0.0005381400000000, -0.0015293500000000, -0.0043409100000000 ] - [ 0.0007136600000000, 0.0013412600000000, 0.0027029700000000 ] - [ 0.0000127900000000, -0.0003106300000000, 0.0008232500000000 ] - [ -0.0002733900000000, -0.0009848100000000, 0.0006120200000000 ] - [ 0.0003311500000000, -0.0011093000000000, -0.0001896500000000 ] - [ 0.0044872100000000, 0.0068534700000000, 0.0000187500000000 ] - [ -0.0008283900000000, -0.0010487800000000, -0.0003254800000000 ] - [ -0.0000902800000000, 0.0009003300000000, 0.0004900900000000 ] - [ 0.0002954200000000, 0.0007453200000000, -0.0001063400000000 ] - [ 0.0070787000000000, 0.0330410500000000, 0.0352585000000000 ] - [ -0.0009344300000000, 0.0002740100000000, -0.0002222800000000 ] - [ 0.0000305200000000, 0.0000848800000000, 0.0015012800000000 ] - [ 0.0003545500000000, 0.0001858600000000, -0.0005989800000000 ] - [ -0.0006642600000000, -0.0012411400000000, -0.0009638200000000 ] - [ -0.0023467000000000, 0.0000391700000000, -0.0024585900000000 ] - [ 0.0002451200000000, 0.0001365800000000, 0.0004131800000000 ] - [ 0.0001651900000000, 0.0002137100000000, 0.0008512800000000 ] - [ 0.0000711400000000, 0.0001967900000000, 0.0008687200000000 ] - [ 0.0005627600000000, 0.0001978400000000, 0.0003557900000000 ] - [ -0.0146904300000000, -0.0142047300000000, 0.0126315900000000 ] - [ 0.0015666500000000, -0.0000938800000000, -0.0001639900000000 ] - [ 0.0013455900000000, 0.0009813200000000, -0.0015020300000000 ] - [ -0.0000523600000000, 0.0005442700000000, 0.0005550700000000 ] - [ 0.0005388800000000, -0.0008735300000000, -0.0019545700000000 ] - [ -0.0007744900000000, -0.0006067300000000, 0.0001674600000000 ] - [ -0.0000268400000000, -0.0141497600000000, 0.0058431600000000 ] - [ 0.0035168200000000, -0.0003030400000000, -0.0004617800000000 ] - [ -0.0072184700000000, 0.0091355000000000, -0.0077423400000000 ] - [ 0.0011894200000000, 0.0002810300000000, 0.0001908800000000 ] - [ 0.0027409500000000, -0.0002798200000000, -0.0042366300000000 ] - [ -0.0037700800000000, 0.0012789400000000, 0.0017051700000000 ] - [ -0.0004613500000000, 0.0002751500000000, -0.0024356600000000 ] - [ 0.0000590700000000, -0.0008259000000000, 0.0001600900000000 ] - [ 0.0019924500000000, -0.0003425900000000, -0.0014351300000000 ] - [ 0.0027867600000000, -0.0040971900000000, 0.0147487900000000 ] - [ 0.0000304700000000, 0.0007345600000000, -0.0026386900000000 ] - [ -0.0006172700000000, 0.0006193300000000, -0.0002474600000000 ] - [ 0.0093796000000000, 0.0004875100000000, 0.0007243200000000 ] - [ 0.0014629000000000, 0.0037553000000000, 0.0016158900000000 ] - [ -0.0023854400000000, -0.0033277000000000, 0.0019097300000000 ] - [ 0.0015383500000000, -0.0003810900000000, -0.0020630100000000 ] - [ -0.0758145700000000, 0.1407227400000000, 0.0944645000000000 ] - [ 0.0021494700000000, -0.0003193200000000, 0.0001881700000000 ] - [ 0.0022671600000000, 0.0002701800000000, -0.0024092200000000 ] - [ -0.0024147100000000, -0.0002673400000000, 0.0012641100000000 ] - [ -0.0270482400000000, 0.0407191400000000, 0.0212266700000000 ] - [ 0.0020186500000000, -0.0004940300000000, -0.0005055700000000 ] - [ -0.0010967300000000, -0.0002568300000000, -0.0010434700000000 ] - [ 0.0008772400000000, -0.0004928400000000, 0.0000860200000000 ] - [ 0.0039527600000000, 0.0081571700000000, -0.0007348900000000 ] - [ 0.0027601400000000, 0.0016054500000000, 0.0023724900000000 ] - [ 0.0012028300000000, -0.0004428200000000, -0.0031410400000000 ] - [ -0.0008343000000000, 0.0001577300000000, 0.0003529400000000 ] - [ -0.0098609100000000, -0.0219103300000000, 0.0002367700000000 ] - [ 0.0024990300000000, -0.0007461800000000, -0.0001338800000000 ] - [ 0.0009964800000000, -0.0006088300000000, -0.0034785700000000 ] - [ -0.0014723600000000, 0.0010837600000000, 0.0001865700000000 ] - [ 0.0175089000000000, -0.0112522600000000, 0.0079945700000000 ] - [ 0.0020492200000000, 0.0008540500000000, 0.0010791700000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001898800000000, 0.0001298100000000, 0.0002882000000000 ] - [ 0.0001917000000000, 0.0005739800000000, -0.0001637800000000 ] - [ 0.0027098000000000, -0.0028449800000000, 0.0017227500000000 ] - [ -0.0003477300000000, -0.0001361900000000, 0.0002339400000000 ] - [ -0.0002841700000000, -0.0001098100000000, 0.0004670800000000 ] - [ 0.0004375400000000, -0.0007202500000000, -0.0011387500000000 ] - [ 0.0005107600000000, 0.0005449600000000, -0.0002613800000000 ] - [ -0.0011536300000000, 0.0003306100000000, 0.0001396700000000 ] - [ -0.0001030500000000, 0.0032617500000000, -0.0001468500000000 ] - [ 0.0010323200000000, 0.0003951300000000, -0.0002853000000000 ] - [ -0.1575882000000000, 0.2625752900000000, 0.1707848800000000 ] - [ 0.0014420200000000, -0.0000264000000000, -0.0010188600000000 ] - [ -0.0003332300000000, 0.0004649200000000, -0.0000312000000000 ] - [ -0.0007834600000000, 0.0002051300000000, 0.0008697800000000 ] - [ -0.0044521300000000, 0.0008411900000000, 0.0041169900000000 ] - [ 0.0002665000000000, -0.0010437500000000, 0.0004907200000000 ] - [ 0.0014354600000000, 0.0003263200000000, -0.0016720200000000 ] - [ 0.0003506300000000, -0.0005821300000000, -0.0004738000000000 ] - [ -0.0041757000000000, 0.0041615800000000, -0.0160860900000000 ] - [ 0.0004057400000000, -0.0001144900000000, -0.0002145800000000 ] - [ -0.0013561400000000, -0.0035674600000000, -0.0002056700000000 ] - [ 0.0009346900000000, 0.0002502100000000, 0.0011320500000000 ] - [ -0.0003952700000000, 0.0010692700000000, -0.0011326800000000 ] - [ 0.0004954000000000, -0.0002640100000000, 0.0012741200000000 ] - [ -0.0024267800000000, -0.0000162400000000, 0.0005159300000000 ] - [ 0.0004246300000000, 0.0000496800000000, -0.0001032600000000 ] - [ 0.0011812500000000, 0.0003053200000000, -0.0001072100000000 ] - [ 0.0021148900000000, -0.0002567100000000, 0.0026155700000000 ] - [ 0.0013258700000000, -0.0006385700000000, -0.0010040000000000 ] - [ 0.0001792100000000, -0.0001204200000000, -0.0002618500000000 ] - [ -0.0132423000000000, -0.0230447400000000, 0.0060771900000000 ] - [ 0.0010475300000000, 0.0004867200000000, -0.0002577400000000 ] - [ 0.0003598200000000, 0.0001187700000000, -0.0007097500000000 ] - [ -0.0001674800000000, 0.0002832100000000, 0.0001620800000000 ] - [ 0.0064211200000000, 0.0098551100000000, -0.0047541900000000 ] - [ 0.0009409400000000, 0.0004280100000000, -0.0001865800000000 ] - [ 0.0010006100000000, -0.0008384900000000, -0.0008177100000000 ] - [ -0.0002246200000000, -0.0001094400000000, 0.0002504700000000 ] - [ 0.0087026200000000, -0.0215410100000000, -0.0015029700000000 ] - [ 0.0004617900000000, -0.0009419200000000, 0.0001411000000000 ] - [ -0.0000866800000000, -0.0006735100000000, -0.0025884800000000 ] - [ -0.0008089800000000, 0.0000236800000000, -0.0004248700000000 ] - [ 0.0116733500000000, 0.0058912900000000, -0.0007499800000000 ] - [ 0.0019221400000000, 0.0011640600000000, -0.0001613700000000 ] - [ 0.0015461900000000, 0.0004224500000000, -0.0010079000000000 ] - [ -0.0002041000000000, 0.0013719700000000, 0.0002609900000000 ] - [ -0.0005499400000000, -0.0001165800000000, -0.0002883600000000 ] - [ -0.0007850400000000, -0.0005608200000000, 0.0003447900000000 ] - [ 0.0004371500000000, -0.0000551700000000, -0.0024498600000000 ] - [ -0.0005737100000000, 0.0001130400000000, -0.0002840300000000 ] - [ 0.0035920900000000, 0.0003996300000000, -0.0030710900000000 ] - [ -0.0006947300000000, 0.0001585500000000, 0.0022496500000000 ] - [ 0.0002390300000000, 0.0005298800000000, -0.0030829100000000 ] - [ 0.0003492100000000, -0.0000926000000000, 0.0005889400000000 ] - [ -0.0035498500000000, -0.0049222200000000, 0.0063897000000000 ] - [ 0.0008547200000000, -0.0001709200000000, -0.0015574600000000 ] - [ 0.0007088100000000, -0.0009405800000000, -0.0008377400000000 ] - [ -0.0004747300000000, -0.0015224800000000, 0.0000225900000000 ] - [ 0.0019972100000000, 0.0028909500000000, 0.0017158300000000 ] - [ 0.0021222300000000, 0.0017123600000000, 0.0001921300000000 ] - [ -0.0000706600000000, 0.0007666400000000, -0.0001456000000000 ] - [ -0.0005957300000000, 0.0016458300000000, -0.0012609000000000 ] - [ -0.0018320800000000, -0.0059012700000000, 0.0010348600000000 ] - [ 0.0005785600000000, 0.0004411300000000, -0.0006335100000000 ] - [ -0.0001287400000000, -0.0006443900000000, -0.0011187600000000 ] - [ -0.0008282100000000, -0.0005919400000000, -0.0004421500000000 ] - [ 0.0439295800000000, -0.0354028600000000, -0.0012170600000000 ] - [ 0.0015266200000000, -0.0007863000000000, 0.0009805600000000 ] - [ 0.0104590800000000, -0.0070208200000000, 0.0171083100000000 ] - [ 0.0005245800000000, 0.0000729300000000, 0.0002875000000000 ] - [ 0.0006744100000000, -0.0056940000000000, 0.0035607800000000 ] - [ 0.0006374400000000, -0.0001036300000000, -0.0000618100000000 ] - [ -0.0040415100000000, 0.0007157600000000, -0.0006189000000000 ] - [ 0.0007445100000000, 0.0004520600000000, 0.0000956200000000 ] - [ 0.0027344500000000, -0.0030147900000000, 0.0007541100000000 ] - [ 0.0042723300000000, -0.0025460000000000, 0.0003161000000000 ] - [ -0.0000941800000000, -0.0001778700000000, -0.0005178400000000 ] - [ 0.0002548500000000, -0.0004259900000000, -0.0004609700000000 ] - [ 0.0016052200000000, -0.0006159100000000, -0.0003341600000000 ] - [ -0.0043811600000000, 0.0001403400000000, -0.0000663600000000 ] - [ 0.0027860900000000, -0.0007307300000000, -0.0020744400000000 ] - [ -0.0002858700000000, 0.0011479400000000, 0.0014478400000000 ] - [ -0.0014276200000000, -0.0020465200000000, 0.0042039700000000 ] - [ 0.0002769900000000, 0.0004150500000000, -0.0008905700000000 ] - [ 0.0002930600000000, -0.0003883500000000, -0.0012259600000000 ] - [ -0.0011659000000000, 0.0013407200000000, 0.0041315700000000 ] - [ -0.0000674600000000, -0.0015064400000000, -0.0025342800000000 ] - [ 0.0006238500000000, 0.0001380800000000, -0.0006337900000000 ] - [ 0.0000826600000000, -0.0004418500000000, -0.0006314200000000 ] - [ -0.0005195000000000, -0.0003170600000000, 0.0001644600000000 ] - [ -0.0042686400000000, -0.0082670900000000, -0.0000063200000000 ] - [ 0.0010106800000000, -0.0003801200000000, 0.0003471100000000 ] - [ 0.0002782400000000, 0.0005261000000000, -0.0004624200000000 ] - [ -0.0001033100000000, 0.0006786600000000, 0.0001299800000000 ] - [ -0.0073112900000000, -0.0317149400000000, -0.0357415900000000 ] - [ 0.0007392000000000, 0.0011498300000000, 0.0001961700000000 ] - [ 0.0001206000000000, -0.0003718000000000, -0.0007229600000000 ] - [ -0.0002016700000000, -0.0004732800000000, 0.0013704200000000 ] - [ 0.0004882500000000, 0.0009514300000000, 0.0001646700000000 ] - [ 0.0021872200000000, -0.0003263700000000, 0.0016823700000000 ] - [ -0.0003935100000000, 0.0001536500000000, -0.0011760600000000 ] - [ -0.0003127500000000, 0.0000779200000000, -0.0016166300000000 ] - [ 0.0007730700000000, 0.0005645100000000, -0.0000035700000000 ] - [ 0.0002871700000000, 0.0005653600000000, 0.0005067700000000 ] - [ 0.0138414800000000, 0.0146691200000000, -0.0128376200000000 ] - [ -0.0022793400000000, 0.0005662900000000, -0.0001789200000000 ] - [ -0.0006119100000000, -0.0005057300000000, 0.0018335900000000 ] - [ 0.0007758100000000, -0.0000739400000000, -0.0002097000000000 ] - [ -0.0012559100000000, 0.0004003400000000, 0.0015952400000000 ] - [ 0.0000453300000000, 0.0001367300000000, -0.0005097500000000 ] - [ 0.0002637000000000, 0.0141932000000000, -0.0064971100000000 ] - [ -0.0032988500000000, 0.0004488100000000, -0.0002034300000000 ] - [ 0.0069417700000000, -0.0089275000000000, 0.0083791700000000 ] - [ -0.0014071000000000, -0.0001393100000000, 0.0004740400000000 ] - [ -0.0029435500000000, 0.0000934500000000, 0.0049175600000000 ] - [ 0.0035404500000000, -0.0014206700000000, -0.0010303100000000 ] - [ 0.0006683200000000, -0.0003972100000000, 0.0017350600000000 ] - [ 0.0001657200000000, 0.0006810700000000, -0.0008230700000000 ] - [ -0.0012595600000000, 0.0005297100000000, 0.0000967800000000 ] - [ -0.0020827800000000, 0.0042876700000000, -0.0160024400000000 ] - [ -0.0007447000000000, -0.0005632400000000, 0.0039729100000000 ] - [ -0.0000840000000000, -0.0004307900000000, 0.0015769100000000 ] - [ -0.0100378400000000, -0.0006800300000000, 0.0006075400000000 ] - [ -0.0021407500000000, -0.0039515300000000, -0.0002378800000000 ] - [ 0.0030775300000000, 0.0031387800000000, -0.0032465400000000 ] - [ -0.0008312200000000, 0.0001947500000000, 0.0007156200000000 ] - [ 0.0814836900000000, -0.1451898400000000, -0.1000963200000000 ] - [ -0.0014110900000000, -0.0001551100000000, 0.0001566600000000 ] - [ -0.0020154100000000, 0.0006465300000000, 0.0033990100000000 ] - [ 0.0026422100000000, 0.0011877200000000, -0.0002425700000000 ] - [ 0.0246556800000000, -0.0395018600000000, -0.0204578900000000 ] - [ -0.0024945700000000, -0.0002657700000000, -0.0000378000000000 ] - [ 0.0015805700000000, -0.0005226000000000, 0.0015730500000000 ] - [ -0.0003845500000000, -0.0002730300000000, 0.0004573800000000 ] - [ -0.0033177700000000, -0.0072467600000000, 0.0012462600000000 ] - [ -0.0022532900000000, -0.0008326500000000, -0.0018167300000000 ] - [ -0.0016870000000000, 0.0012048800000000, 0.0025735500000000 ] - [ 0.0003403300000000, 0.0006055500000000, -0.0008973200000000 ] - [ 0.0100720600000000, 0.0209489000000000, 0.0007899300000000 ] - [ -0.0022474600000000, -0.0001684200000000, 0.0011490500000000 ] - [ -0.0012233900000000, -0.0003067500000000, 0.0024472000000000 ] - [ 0.0012206900000000, -0.0019944800000000, -0.0012011300000000 ] - [ -0.0177592300000000, 0.0121404600000000, -0.0089789200000000 ] - [ -0.0022664300000000, 0.0000566600000000, -0.0020830700000000 ]- atom: 11 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ 0.0001006400000000, -0.0000803100000000, -0.0005721900000000 ] - [ -0.0005949800000000, -0.0002539100000000, 0.0000165700000000 ] - [ -0.0029936700000000, 0.0014604700000000, -0.0012483400000000 ] - [ 0.0010199600000000, 0.0000789900000000, -0.0003614900000000 ] - [ 0.0007357100000000, 0.0000986800000000, -0.0006961800000000 ] - [ -0.0008860500000000, 0.0006242800000000, 0.0010037800000000 ] - [ -0.0004981100000000, -0.0001890500000000, 0.0007784600000000 ] - [ 0.0011693300000000, -0.0004341200000000, -0.0001562500000000 ] - [ 0.0012705500000000, -0.0036775300000000, 0.0023268300000000 ] - [ 0.0001111800000000, -0.0002449800000000, 0.0000123800000000 ] - [ 0.2060167700000000, -0.2233164000000000, -0.2439399800000000 ] - [ -0.0006007000000000, 0.0012521100000000, -0.0002435100000000 ] - [ -0.0016349600000000, -0.0002488900000000, 0.0022110700000000 ] - [ -0.0002730900000000, 0.0007484700000000, 0.0005183800000000 ] - [ 0.0033078500000000, -0.0055251200000000, -0.0036354200000000 ] - [ -0.0016296400000000, 0.0001642700000000, 0.0007889900000000 ] - [ -0.0009635800000000, -0.0017863500000000, 0.0011666300000000 ] - [ 0.0011308300000000, -0.0001750000000000, -0.0009380600000000 ] - [ 0.0038894100000000, 0.0004187400000000, 0.0192649300000000 ] - [ -0.0007041800000000, 0.0001524200000000, -0.0008573300000000 ] - [ 0.0009390400000000, 0.0023539600000000, 0.0015072000000000 ] - [ -0.0006841600000000, -0.0002614200000000, -0.0001249000000000 ] - [ 0.0012536200000000, -0.0029563900000000, 0.0054551500000000 ] - [ -0.0002368800000000, 0.0002576600000000, -0.0001423000000000 ] - [ 0.0020197500000000, 0.0001463400000000, 0.0000201700000000 ] - [ -0.0016052400000000, 0.0006076600000000, 0.0006513800000000 ] - [ -0.0060303000000000, -0.0022755600000000, 0.0008070100000000 ] - [ -0.0010673600000000, -0.0000624600000000, -0.0015524500000000 ] - [ 0.0000606000000000, 0.0003237900000000, 0.0009180700000000 ] - [ 0.0009033800000000, -0.0005618500000000, 0.0000781900000000 ] - [ 0.0129296100000000, 0.0100897700000000, -0.0084631100000000 ] - [ -0.0014085500000000, -0.0005057100000000, 0.0004044800000000 ] - [ -0.0013822600000000, 0.0004511000000000, 0.0014960500000000 ] - [ 0.0003447400000000, -0.0000966900000000, -0.0002651600000000 ] - [ -0.0408732900000000, 0.0020807100000000, 0.0336651200000000 ] - [ -0.0011799600000000, -0.0005879900000000, 0.0000283900000000 ] - [ -0.0017168800000000, 0.0009766900000000, 0.0015789700000000 ] - [ 0.0006035500000000, -0.0002966200000000, -0.0001685500000000 ] - [ -0.0100554200000000, 0.0216454700000000, 0.0016291000000000 ] - [ -0.0014568000000000, 0.0006020100000000, 0.0001028600000000 ] - [ -0.0000885400000000, 0.0014749600000000, 0.0020112100000000 ] - [ 0.0005582500000000, -0.0000919200000000, -0.0007907700000000 ] - [ -0.0164332700000000, -0.0024103000000000, 0.0011842900000000 ] - [ -0.0015714400000000, -0.0003549300000000, -0.0008833100000000 ] - [ -0.0040933800000000, 0.0027812400000000, 0.0010671800000000 ] - [ 0.0012989800000000, -0.0010696300000000, -0.0007892600000000 ] - [ -0.0007516000000000, -0.0009769900000000, 0.0012814200000000 ] - [ -0.0003920600000000, 0.0004744700000000, 0.0000976600000000 ] - [ -0.0013860800000000, 0.0005691900000000, 0.0030240200000000 ] - [ 0.0003057100000000, 0.0003579800000000, -0.0010303000000000 ] - [ -0.0014982800000000, 0.0010977400000000, 0.0015034600000000 ] - [ 0.0008604400000000, 0.0002350000000000, -0.0010959300000000 ] - [ -0.0003175800000000, -0.0005049700000000, 0.0068166200000000 ] - [ -0.0001144400000000, -0.0001798300000000, 0.0013734600000000 ] - [ 0.0031978400000000, 0.0035295100000000, -0.0086303000000000 ] - [ -0.0011397100000000, -0.0002551600000000, -0.0001887200000000 ] - [ -0.0007283800000000, 0.0003434900000000, 0.0004670100000000 ] - [ 0.0009749600000000, 0.0002523300000000, -0.0009054400000000 ] - [ -0.0012075900000000, -0.0017906900000000, -0.0016385800000000 ] - [ -0.0032954600000000, -0.0030334100000000, 0.0004838800000000 ] - [ -0.0002953500000000, 0.0000498600000000, 0.0012463500000000 ] - [ 0.0006915300000000, -0.0003396800000000, 0.0019076800000000 ] - [ 0.0020133700000000, 0.0052566500000000, -0.0015202700000000 ] - [ -0.0011922900000000, -0.0003426200000000, 0.0000927800000000 ] - [ -0.0011019700000000, -0.0001623100000000, 0.0005485200000000 ] - [ 0.0004358600000000, -0.0000220900000000, -0.0002225300000000 ] - [ -0.0143813900000000, 0.0199343100000000, -0.0061421900000000 ] - [ -0.0012662900000000, 0.0002842100000000, -0.0004036900000000 ] - [ -0.0028347800000000, 0.0032748700000000, -0.0135875000000000 ] - [ -0.0011702600000000, 0.0003197300000000, -0.0001062300000000 ] - [ 0.0004392100000000, 0.0033960800000000, -0.0029421000000000 ] - [ -0.0019138300000000, 0.0009932400000000, -0.0010063400000000 ] - [ 0.0051261100000000, 0.0004928000000000, 0.0017265000000000 ] - [ -0.0018569000000000, -0.0001772800000000, 0.0006651300000000 ] - [ -0.0029698200000000, 0.0034246300000000, -0.0015786700000000 ] - [ -0.0022298000000000, 0.0018223400000000, -0.0009964200000000 ] - [ 0.0015767400000000, -0.0002268500000000, 0.0007150200000000 ] - [ 0.0003925200000000, 0.0001889800000000, 0.0001464000000000 ] - [ -0.0032791600000000, 0.0013378500000000, 0.0005097400000000 ] - [ 0.0034872600000000, -0.0006615000000000, 0.0002113700000000 ] - [ -0.0037400500000000, 0.0016949300000000, 0.0036159500000000 ] - [ 0.0011229300000000, -0.0010283200000000, -0.0027811100000000 ] - [ 0.0011129300000000, 0.0015235400000000, -0.0038731400000000 ] - [ -0.0012036800000000, -0.0004624500000000, 0.0011948200000000 ] - [ -0.0018739300000000, 0.0005884200000000, 0.0021472500000000 ] - [ 0.0010316600000000, -0.0013893600000000, -0.0032777800000000 ] - [ 0.0009677700000000, 0.0009452100000000, 0.0015520300000000 ] - [ -0.0002227300000000, -0.0005429400000000, 0.0014588700000000 ] - [ -0.0006307000000000, -0.0008481000000000, 0.0009598200000000 ] - [ 0.0007695000000000, -0.0011843300000000, -0.0000475700000000 ] - [ 0.0024746700000000, 0.0031611500000000, -0.0011819000000000 ] - [ -0.0012738400000000, -0.0013726700000000, -0.0005269100000000 ] - [ -0.0003110400000000, 0.0009216800000000, 0.0008610700000000 ] - [ 0.0007409400000000, 0.0004091000000000, 0.0002064900000000 ] - [ 0.0104435200000000, 0.0305917400000000, 0.0158650000000000 ] - [ -0.0012940100000000, 0.0001491600000000, -0.0003330600000000 ] - [ 0.0000829000000000, 0.0001354200000000, 0.0022158300000000 ] - [ 0.0006579200000000, 0.0001022100000000, -0.0000818200000000 ] - [ -0.0028849900000000, -0.0007027400000000, -0.0046679900000000 ] - [ -0.0034658800000000, 0.0004089700000000, -0.0039241400000000 ] - [ 0.0004527000000000, 0.0001204300000000, 0.0015714100000000 ] - [ 0.0004043600000000, 0.0004086400000000, 0.0011082200000000 ] - [ -0.0002585500000000, 0.0002583100000000, 0.0013047700000000 ] - [ 0.0011536700000000, 0.0005430500000000, 0.0007172900000000 ] - [ -0.0112345600000000, -0.0046271600000000, 0.0107319000000000 ] - [ 0.0022587400000000, 0.0000306300000000, 0.0000419800000000 ] - [ 0.0026668500000000, 0.0008293100000000, -0.0030603900000000 ] - [ -0.0007724300000000, 0.0002675600000000, 0.0003121600000000 ] - [ 0.0016165300000000, -0.0006881600000000, -0.0031993700000000 ] - [ -0.0014515000000000, -0.0003819100000000, -0.0001130800000000 ] - [ 0.0006520400000000, -0.0124457800000000, 0.0072104700000000 ] - [ 0.0027040900000000, -0.0000991300000000, -0.0001012300000000 ] - [ -0.0099150900000000, 0.0080064600000000, -0.0128766400000000 ] - [ 0.0016561100000000, 0.0000894500000000, -0.0002096600000000 ] - [ 0.0041828100000000, -0.0049851900000000, -0.0019832900000000 ] - [ -0.0032733500000000, 0.0010402700000000, 0.0024064100000000 ] - [ -0.0016605800000000, 0.0022545400000000, -0.0058417000000000 ] - [ -0.0000473900000000, -0.0007627600000000, -0.0002157200000000 ] - [ 0.0051717200000000, -0.0004300700000000, -0.0016967300000000 ] - [ 0.0004034500000000, -0.0026119700000000, 0.0101238700000000 ] - [ -0.0010019800000000, -0.0002446900000000, -0.0023440700000000 ] - [ -0.0006345100000000, 0.0006451500000000, -0.0014713200000000 ] - [ 0.0141810000000000, 0.0005296800000000, 0.0012499500000000 ] - [ 0.0022968700000000, 0.0016538200000000, 0.0059054200000000 ] - [ -0.0031493000000000, -0.0022158000000000, 0.0014080000000000 ] - [ 0.0018303500000000, -0.0003253500000000, -0.0028779900000000 ] - [ -0.1329231000000000, 0.1244818800000000, 0.1681780400000000 ] - [ 0.0029199100000000, -0.0005826000000000, 0.0003473900000000 ] - [ 0.0036245700000000, -0.0000529100000000, -0.0044556000000000 ] - [ -0.0040413100000000, -0.0007695800000000, 0.0016120000000000 ] - [ -0.0259892800000000, 0.0177081500000000, 0.0267460200000000 ] - [ 0.0029154700000000, -0.0002569400000000, 0.0000329300000000 ] - [ 0.0001064500000000, 0.0020415900000000, -0.0040863700000000 ] - [ 0.0007285700000000, -0.0005794200000000, -0.0001627700000000 ] - [ 0.0193752200000000, 0.0189067800000000, -0.0038643400000000 ] - [ 0.0022969700000000, 0.0006324800000000, 0.0033550600000000 ] - [ 0.0020742600000000, -0.0002405800000000, -0.0049849000000000 ] - [ -0.0013113900000000, 0.0002564400000000, 0.0001429100000000 ] - [ -0.0101995700000000, -0.0153683100000000, 0.0021131700000000 ] - [ 0.0035690700000000, -0.0005976500000000, 0.0000489100000000 ] - [ 0.0020782300000000, -0.0009762800000000, -0.0057634800000000 ] - [ -0.0024820600000000, 0.0005980400000000, -0.0012642600000000 ] - [ 0.0098233300000000, -0.0068060400000000, 0.0075402700000000 ] - [ 0.0035191800000000, 0.0013564900000000, 0.0012966000000000 ]- atom: 11 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0003208400000000, 0.0001026800000000, 0.0005552000000000 ] - [ 0.0003794400000000, 0.0002756600000000, -0.0000376900000000 ] - [ 0.0032070400000000, -0.0014408500000000, 0.0012417200000000 ] - [ -0.0008029000000000, -0.0000552700000000, 0.0003779800000000 ] - [ -0.0005149300000000, -0.0001209000000000, 0.0007124500000000 ] - [ 0.0011079000000000, -0.0006469500000000, -0.0009801300000000 ] - [ 0.0002830300000000, 0.0001656000000000, -0.0007944700000000 ] - [ -0.0013839700000000, 0.0004091800000000, 0.0001408200000000 ] - [ -0.0000564200000000, 0.0037072500000000, -0.0026857800000000 ] - [ 0.0010895800000000, 0.0002883300000000, -0.0003619000000000 ] - [ -0.2109038500000000, 0.2332024200000000, 0.2502623700000000 ] - [ 0.0018025300000000, -0.0002865500000000, -0.0010978000000000 ] - [ 0.0004362400000000, 0.0012181300000000, -0.0008701000000000 ] - [ -0.0009310600000000, 0.0002142600000000, 0.0008256600000000 ] - [ -0.0045438400000000, 0.0045985900000000, 0.0050078500000000 ] - [ 0.0004303600000000, -0.0011315900000000, 0.0005495500000000 ] - [ 0.0021647400000000, 0.0008193000000000, -0.0025081300000000 ] - [ 0.0000718900000000, -0.0007891600000000, -0.0004042400000000 ] - [ -0.0039739500000000, -0.0003843000000000, -0.0200501200000000 ] - [ 0.0005765300000000, -0.0001598300000000, -0.0001464200000000 ] - [ -0.0008008500000000, -0.0023379100000000, -0.0005011900000000 ] - [ 0.0008072600000000, 0.0002543600000000, 0.0011304700000000 ] - [ -0.0011379200000000, 0.0029796300000000, -0.0044733600000000 ] - [ 0.0003670100000000, -0.0002508500000000, 0.0011481800000000 ] - [ -0.0030175200000000, 0.0004943300000000, 0.0003653600000000 ] - [ 0.0005918600000000, 0.0000353800000000, -0.0002614400000000 ] - [ 0.0050513000000000, 0.0016462800000000, -0.0004184100000000 ] - [ 0.0000899300000000, -0.0005711200000000, 0.0019514500000000 ] - [ 0.0009358400000000, -0.0009640700000000, -0.0013049800000000 ] - [ 0.0001106100000000, -0.0000811000000000, -0.0004680600000000 ] - [ -0.0128675200000000, -0.0099977900000000, 0.0085486500000000 ] - [ 0.0014384700000000, 0.0006932700000000, -0.0002882300000000 ] - [ 0.0013556300000000, -0.0002655100000000, -0.0016127700000000 ] - [ -0.0003778400000000, 0.0002868200000000, 0.0001506700000000 ] - [ 0.0416822200000000, -0.0023882000000000, -0.0345679500000000 ] - [ 0.0011528200000000, 0.0004020000000000, -0.0001469600000000 ] - [ 0.0017463500000000, -0.0011632300000000, -0.0014624300000000 ] - [ -0.0005714300000000, 0.0001069300000000, 0.0002847200000000 ] - [ 0.0087534000000000, -0.0214323700000000, -0.0012346700000000 ] - [ 0.0002488200000000, -0.0005520300000000, 0.0002501500000000 ] - [ -0.0000392400000000, -0.0014737300000000, -0.0030142600000000 ] - [ -0.0006803200000000, 0.0000994600000000, -0.0002143700000000 ] - [ 0.0172996900000000, 0.0030238400000000, -0.0015645500000000 ] - [ 0.0025739300000000, 0.0009920900000000, 0.0004989300000000 ] - [ 0.0053309800000000, -0.0028562600000000, -0.0014213900000000 ] - [ -0.0000892300000000, 0.0010225500000000, 0.0004355700000000 ] - [ -0.0004563300000000, 0.0009376700000000, -0.0009308100000000 ] - [ -0.0008082200000000, -0.0005179900000000, 0.0002525700000000 ] - [ 0.0009814500000000, -0.0001463500000000, -0.0044627200000000 ] - [ -0.0007025100000000, 0.0000624800000000, -0.0004103000000000 ] - [ 0.0018798000000000, -0.0006862200000000, -0.0000380500000000 ] - [ -0.0004526300000000, 0.0001878800000000, 0.0025217800000000 ] - [ 0.0007236600000000, 0.0000734700000000, -0.0053601200000000 ] - [ 0.0005100400000000, -0.0002406500000000, 0.0000708100000000 ] - [ -0.0035831100000000, -0.0039342300000000, 0.0071639400000000 ] - [ 0.0007349400000000, -0.0001664800000000, -0.0012411300000000 ] - [ 0.0009276600000000, -0.0010740100000000, -0.0011438100000000 ] - [ -0.0007712300000000, -0.0009843900000000, 0.0002242300000000 ] - [ 0.0009929400000000, 0.0010443100000000, 0.0023186600000000 ] - [ 0.0030804100000000, 0.0022864600000000, 0.0001917100000000 ] - [ 0.0000961800000000, 0.0006803200000000, -0.0005679400000000 ] - [ -0.0008982300000000, 0.0010739000000000, -0.0012224600000000 ] - [ -0.0018124500000000, -0.0045316400000000, 0.0008524300000000 ] - [ 0.0014004000000000, 0.0010830900000000, -0.0007693800000000 ] - [ 0.0002551700000000, -0.0005978300000000, -0.0014083000000000 ] - [ -0.0012825900000000, -0.0007400200000000, -0.0006390400000000 ] - [ 0.0151077800000000, -0.0207025900000000, 0.0070866600000000 ] - [ 0.0021110400000000, -0.0010446100000000, 0.0012627900000000 ] - [ 0.0030796100000000, -0.0030781600000000, 0.0143768400000000 ] - [ 0.0013264200000000, -0.0000326200000000, 0.0008841000000000 ] - [ -0.0012866700000000, -0.0026262700000000, 0.0020905000000000 ] - [ 0.0010678800000000, -0.0002318000000000, 0.0001448100000000 ] - [ -0.0057671700000000, -0.0001968500000000, -0.0011755000000000 ] - [ 0.0011854500000000, 0.0004765200000000, -0.0001071000000000 ] - [ 0.0036209600000000, -0.0031028500000000, 0.0010134000000000 ] - [ 0.0028769900000000, -0.0015123800000000, 0.0004387300000000 ] - [ -0.0009277100000000, -0.0000764900000000, -0.0012728500000000 ] - [ 0.0002797900000000, -0.0004887500000000, -0.0007031400000000 ] - [ 0.0026189200000000, -0.0016477800000000, 0.0000524800000000 ] - [ -0.0041377600000000, 0.0003612100000000, 0.0003471400000000 ] - [ 0.0043590700000000, -0.0015158900000000, -0.0034175200000000 ] - [ -0.0004894100000000, 0.0012000500000000, 0.0029698000000000 ] - [ -0.0017494500000000, -0.0013444700000000, 0.0036745100000000 ] - [ 0.0005633100000000, 0.0006334500000000, -0.0013800600000000 ] - [ 0.0012408300000000, -0.0007616500000000, -0.0023341300000000 ] - [ -0.0016697600000000, 0.0012175400000000, 0.0031103900000000 ] - [ -0.0003310100000000, -0.0011160000000000, -0.0013525900000000 ] - [ 0.0008635600000000, 0.0003715400000000, -0.0012737500000000 ] - [ 0.0004412800000000, -0.0005796700000000, -0.0009822300000000 ] - [ -0.0009593500000000, -0.0002422100000000, 0.0000228400000000 ] - [ -0.0022953800000000, -0.0045771400000000, 0.0012109900000000 ] - [ 0.0014619400000000, -0.0000550700000000, 0.0005488400000000 ] - [ 0.0005017400000000, 0.0005055800000000, -0.0008367300000000 ] - [ -0.0005517100000000, 0.0010164400000000, -0.0001801800000000 ] - [ -0.0107422400000000, -0.0292997300000000, -0.0158610900000000 ] - [ 0.0011056100000000, 0.0012774000000000, 0.0003094400000000 ] - [ 0.0000656900000000, -0.0004231300000000, -0.0014465100000000 ] - [ -0.0005059700000000, -0.0003901500000000, 0.0008470900000000 ] - [ 0.0027395500000000, 0.0004107200000000, 0.0039358700000000 ] - [ 0.0033012800000000, -0.0006944200000000, 0.0031300800000000 ] - [ -0.0006003700000000, 0.0001675900000000, -0.0023413400000000 ] - [ -0.0005565900000000, -0.0001204000000000, -0.0018729300000000 ] - [ 0.0011067400000000, 0.0005025700000000, -0.0004427500000000 ] - [ -0.0003063300000000, 0.0002197800000000, 0.0001462100000000 ] - [ 0.0105690400000000, 0.0051053000000000, -0.0111295600000000 ] - [ -0.0029845000000000, 0.0004444900000000, -0.0003826700000000 ] - [ -0.0019418700000000, -0.0003522400000000, 0.0034041000000000 ] - [ 0.0014995700000000, 0.0002028300000000, 0.0000305700000000 ] - [ -0.0023433800000000, 0.0002102800000000, 0.0028532500000000 ] - [ 0.0007259700000000, -0.0000887200000000, -0.0002337500000000 ] - [ -0.0004420000000000, 0.0125248800000000, -0.0078366600000000 ] - [ -0.0024663300000000, 0.0002396400000000, -0.0005723100000000 ] - [ 0.0096223800000000, -0.0077859900000000, 0.0135235600000000 ] - [ -0.0018696100000000, 0.0000550900000000, 0.0008726300000000 ] - [ -0.0044089800000000, 0.0048811300000000, 0.0026235800000000 ] - [ 0.0030324600000000, -0.0011838200000000, -0.0017312400000000 ] - [ 0.0019071800000000, -0.0024128500000000, 0.0051858500000000 ] - [ 0.0002601000000000, 0.0006186500000000, -0.0004505800000000 ] - [ -0.0044878500000000, 0.0006155100000000, 0.0003563900000000 ] - [ 0.0002703400000000, 0.0028080700000000, -0.0115366300000000 ] - [ 0.0003152700000000, 0.0004362700000000, 0.0036658700000000 ] - [ -0.0000754100000000, -0.0004546700000000, 0.0028085600000000 ] - [ -0.0148241200000000, -0.0007065300000000, 0.0001017300000000 ] - [ -0.0029832100000000, -0.0018249300000000, -0.0045939400000000 ] - [ 0.0038410800000000, 0.0020200000000000, -0.0027306700000000 ] - [ -0.0011201000000000, 0.0001350800000000, 0.0015411400000000 ] - [ 0.1402833600000000, -0.1352505000000000, -0.1756038600000000 ] - [ -0.0021946100000000, 0.0001076500000000, -0.0000011000000000 ] - [ -0.0033771000000000, 0.0009678700000000, 0.0054599900000000 ] - [ 0.0042757100000000, 0.0016833600000000, -0.0005929500000000 ] - [ 0.0244349000000000, -0.0167669300000000, -0.0267262800000000 ] - [ -0.0034027500000000, -0.0005074300000000, -0.0005883000000000 ] - [ 0.0003683500000000, -0.0028095500000000, 0.0046394400000000 ] - [ -0.0002286300000000, -0.0001853400000000, 0.0007058500000000 ] - [ -0.0189897200000000, -0.0182671100000000, 0.0043988200000000 ] - [ -0.0018235500000000, 0.0001245800000000, -0.0027901100000000 ] - [ -0.0025574600000000, 0.0010028600000000, 0.0044377100000000 ] - [ 0.0008131500000000, 0.0005083900000000, -0.0006879700000000 ] - [ 0.0103993400000000, 0.0144191900000000, -0.0011041100000000 ] - [ -0.0033338500000000, -0.0003190900000000, 0.0009563700000000 ] - [ -0.0023206600000000, 0.0000607100000000, 0.0047450600000000 ] - [ 0.0022582700000000, -0.0015102800000000, 0.0002367900000000 ] - [ -0.0099835600000000, 0.0076949400000000, -0.0085314900000000 ] - [ -0.0037528500000000, -0.0004386400000000, -0.0022941700000000 ]- atom: 19 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0001833800000000, -0.0000748800000000, -0.0001407500000000 ] - [ -0.0001513900000000, -0.0000402900000000, -0.0005993100000000 ] - [ 0.0002049700000000, -0.0003358100000000, -0.0005901900000000 ] - [ 0.0001563300000000, 0.0001075300000000, -0.0002623600000000 ] - [ -0.0002873100000000, -0.0001120200000000, 0.0004945000000000 ] - [ -0.0019153900000000, 0.0032931800000000, 0.0013475500000000 ] - [ -0.0002644500000000, -0.0006241000000000, 0.0009311900000000 ] - [ -0.0009452800000000, 0.0004110200000000, 0.0000479100000000 ] - [ -0.0093877000000000, -0.0104252000000000, 0.0044724700000000 ] - [ 0.0012728300000000, 0.0004752900000000, -0.0002247500000000 ] - [ -0.0052458900000000, 0.0046517500000000, 0.0000998700000000 ] - [ 0.0013779300000000, 0.0000114400000000, -0.0009092300000000 ] - [ -0.0020311700000000, -0.0009393800000000, 0.0007266200000000 ] - [ 0.0005357900000000, 0.0013572700000000, 0.0005536200000000 ] - [ -0.0019427100000000, -0.0000175800000000, 0.0012007600000000 ] - [ 0.0002046100000000, -0.0009161600000000, 0.0008659200000000 ] - [ 0.0002858800000000, -0.0005067200000000, -0.0009204100000000 ] - [ 0.0009639800000000, -0.0012326200000000, 0.0003437200000000 ] - [ -0.1563007400000000, 0.1143039800000000, -0.1491618900000000 ] - [ 0.0005364600000000, -0.0001467200000000, -0.0001943100000000 ] - [ -0.0017688100000000, -0.0025100000000000, -0.0027883300000000 ] - [ 0.0003712900000000, 0.0000365300000000, 0.0005051500000000 ] - [ -0.0001647900000000, 0.0001399700000000, 0.0001087600000000 ] - [ 0.0012616700000000, -0.0009285000000000, 0.0036161300000000 ] - [ -0.0021689500000000, 0.0007808700000000, 0.0001754000000000 ] - [ 0.0007737700000000, -0.0000123900000000, 0.0000061700000000 ] - [ -0.0011271300000000, -0.0003513000000000, 0.0001770500000000 ] - [ 0.0016226300000000, -0.0001718700000000, 0.0015538900000000 ] - [ 0.0004536000000000, -0.0003612100000000, -0.0000470100000000 ] - [ 0.0003965200000000, -0.0005080600000000, 0.0002762500000000 ] - [ -0.0062522800000000, -0.0024820800000000, -0.0000073600000000 ] - [ 0.0009456300000000, 0.0004716000000000, -0.0001354700000000 ] - [ -0.0015516900000000, 0.0010699100000000, -0.0004700400000000 ] - [ 0.0017886600000000, -0.0010435400000000, -0.0001939100000000 ] - [ -0.0015599500000000, -0.0002574400000000, 0.0005324900000000 ] - [ 0.0008848100000000, 0.0002252100000000, 0.0001522000000000 ] - [ -0.0004070100000000, -0.0002120700000000, -0.0002393300000000 ] - [ 0.0004327200000000, 0.0002460300000000, 0.0007518500000000 ] - [ 0.0030539000000000, -0.0094494300000000, 0.0014958700000000 ] - [ -0.0001489500000000, -0.0000473600000000, -0.0000132600000000 ] - [ -0.0003460800000000, -0.0001789500000000, -0.0009876600000000 ] - [ 0.0008837600000000, 0.0007759300000000, 0.0015299800000000 ] - [ 0.0139045800000000, 0.0036384300000000, 0.0041550500000000 ] - [ 0.0020987200000000, 0.0004687900000000, -0.0008316100000000 ] - [ 0.0002626000000000, 0.0001408100000000, -0.0003327200000000 ] - [ 0.0009346500000000, 0.0003666500000000, 0.0005167000000000 ] - [ -0.0006851600000000, -0.0001439600000000, 0.0000895300000000 ] - [ -0.0004393700000000, 0.0005499700000000, 0.0011444100000000 ] - [ 0.0002587800000000, 0.0000636000000000, -0.0016341000000000 ] - [ -0.0009677100000000, 0.0016708300000000, 0.0038328500000000 ] - [ 0.0002409400000000, 0.0002275500000000, -0.0000296200000000 ] - [ 0.0003457300000000, 0.0002769500000000, 0.0017980800000000 ] - [ -0.0097617600000000, -0.0021307000000000, 0.0080477200000000 ] - [ 0.0006104200000000, -0.0001861400000000, 0.0007928100000000 ] - [ -0.0009856600000000, -0.0020792200000000, 0.0011125400000000 ] - [ 0.0000651700000000, -0.0001242600000000, -0.0010389300000000 ] - [ 0.0006958500000000, -0.0009047700000000, -0.0007223400000000 ] - [ -0.0002443700000000, 0.0027491600000000, -0.0007120400000000 ] - [ 0.0004684400000000, -0.0014895200000000, -0.0013191200000000 ] - [ 0.0022956800000000, 0.0018654600000000, 0.0002113500000000 ] - [ -0.0003256100000000, -0.0000297500000000, 0.0010342000000000 ] - [ 0.0000188000000000, 0.0001548700000000, 0.0008646500000000 ] - [ -0.0001194200000000, -0.0009684200000000, 0.0010948700000000 ] - [ 0.0000344300000000, 0.0005838500000000, -0.0001584900000000 ] - [ -0.0008204800000000, -0.0013229800000000, -0.0017480000000000 ] - [ 0.0036513100000000, 0.0021467100000000, 0.0019609400000000 ] - [ -0.0017694700000000, 0.0009947100000000, -0.0007621800000000 ] - [ 0.0016910900000000, -0.0009011400000000, 0.0010971300000000 ] - [ 0.0040472500000000, -0.0017554500000000, 0.0124874000000000 ] - [ 0.0002095700000000, 0.0002262300000000, 0.0005925500000000 ] - [ -0.0013838400000000, 0.0003540600000000, -0.0004896500000000 ] - [ 0.0004192000000000, 0.0000039900000000, 0.0000626900000000 ] - [ 0.0409652600000000, -0.0114042400000000, 0.0237249100000000 ] - [ 0.0008824100000000, 0.0005025900000000, 0.0001601900000000 ] - [ 0.0018313400000000, -0.0015971900000000, -0.0002321100000000 ] - [ 0.0005761400000000, 0.0002295300000000, -0.0006530500000000 ] - [ 0.0006899500000000, 0.0000173200000000, -0.0000929800000000 ] - [ -0.0000755700000000, 0.0000043100000000, 0.0007073000000000 ] - [ -0.0004865800000000, -0.0001419600000000, 0.0002393900000000 ] - [ 0.0002870900000000, -0.0002584300000000, 0.0008859400000000 ] - [ 0.0028379900000000, -0.0008804800000000, -0.0018560700000000 ] - [ 0.0024935700000000, -0.0003925100000000, -0.0030077200000000 ] - [ -0.0002334300000000, -0.0000412600000000, -0.0014062800000000 ] - [ 0.0003089200000000, 0.0004227800000000, -0.0008230400000000 ] - [ -0.0008793500000000, 0.0002489000000000, 0.0010704300000000 ] - [ -0.0006345900000000, 0.0007566100000000, 0.0031957600000000 ] - [ 0.0000349500000000, -0.0004974200000000, 0.0011992300000000 ] - [ 0.0000274000000000, -0.0004255000000000, 0.0009111300000000 ] - [ -0.0005056900000000, -0.0000713000000000, -0.0010420500000000 ] - [ 0.0050962600000000, -0.0035149800000000, 0.0024588500000000 ] - [ -0.0017497600000000, -0.0020139200000000, -0.0009478900000000 ] - [ 0.0010943900000000, -0.0001869700000000, 0.0004651900000000 ] - [ -0.0013120300000000, 0.0017199400000000, -0.0007066300000000 ] - [ 0.0014374500000000, 0.0002177400000000, 0.0012138100000000 ] - [ -0.0007847400000000, 0.0007927700000000, 0.0001765600000000 ] - [ 0.0005434900000000, 0.0010026600000000, 0.0004156300000000 ] - [ 0.0001373100000000, -0.0002584100000000, -0.0001192200000000 ] - [ 0.0001508500000000, 0.0001925200000000, 0.0014284800000000 ] - [ -0.0005120400000000, 0.0000013600000000, -0.0025528400000000 ] - [ 0.0035274900000000, -0.0008481500000000, 0.0030247100000000 ] - [ -0.0005799000000000, -0.0003141700000000, 0.0000338500000000 ] - [ 0.0004029600000000, 0.0002249300000000, 0.0004858100000000 ] - [ -0.0015571200000000, -0.0003461800000000, -0.0005590000000000 ] - [ 0.0027232600000000, 0.0011020800000000, 0.0021553800000000 ] - [ 0.0036411900000000, 0.0018892300000000, -0.0011232900000000 ] - [ -0.0021856100000000, 0.0003315900000000, -0.0006267300000000 ] - [ 0.0019149400000000, -0.0001222200000000, 0.0022297900000000 ] - [ -0.0038456500000000, 0.0024801100000000, -0.0029962300000000 ] - [ 0.0016615500000000, 0.0007491100000000, 0.0019245400000000 ] - [ -0.0032660000000000, -0.0020842100000000, -0.0024840600000000 ] - [ -0.0001016900000000, 0.0089211400000000, 0.0000433300000000 ] - [ -0.0005991500000000, -0.0000454000000000, 0.0000717700000000 ] - [ 0.1174732800000000, -0.0802545400000000, 0.0897954900000000 ] - [ -0.0017788100000000, -0.0001314600000000, 0.0002443400000000 ] - [ 0.0003182400000000, -0.0000732900000000, 0.0010832100000000 ] - [ -0.0013476400000000, -0.0009629000000000, -0.0019166600000000 ] - [ -0.0000114900000000, -0.0000331000000000, 0.0003399000000000 ] - [ 0.0002452900000000, -0.0002919000000000, -0.0056394900000000 ] - [ 0.0009071500000000, -0.0004966000000000, -0.0011328800000000 ] - [ -0.0014786200000000, 0.0014722000000000, -0.0072946300000000 ] - [ -0.0004913900000000, 0.0004756000000000, -0.0005377400000000 ] - [ 0.0000627000000000, 0.0008792100000000, -0.0005549200000000 ] - [ -0.0124456000000000, -0.0002191300000000, 0.0009869200000000 ] - [ -0.0024576000000000, 0.0013043400000000, 0.0045141700000000 ] - [ 0.0019748900000000, -0.0024668300000000, -0.0012930000000000 ] - [ -0.0010270600000000, 0.0000902100000000, 0.0002500200000000 ] - [ 0.0041217800000000, -0.0029372600000000, -0.0009098600000000 ] - [ -0.0013788900000000, 0.0000962200000000, -0.0003082700000000 ] - [ -0.0019040800000000, 0.0005666300000000, 0.0032544100000000 ] - [ -0.0148870500000000, -0.0113724100000000, -0.0046883200000000 ] - [ 0.0174358900000000, -0.0045480400000000, 0.0131815100000000 ] - [ -0.0024567400000000, -0.0005813100000000, 0.0000088000000000 ] - [ 0.0076541600000000, 0.0040183900000000, 0.0016148100000000 ] - [ -0.0023539700000000, -0.0002965800000000, 0.0003475400000000 ] - [ 0.0024750700000000, 0.0001181500000000, 0.0013668700000000 ] - [ -0.0030633800000000, 0.0003324900000000, -0.0041339300000000 ] - [ 0.0002453400000000, 0.0005706500000000, 0.0002704900000000 ] - [ -0.0011317000000000, 0.0002487500000000, -0.0030923600000000 ] - [ 0.0013344700000000, 0.0007306900000000, -0.0015164300000000 ] - [ -0.0004572900000000, -0.0006133300000000, -0.0002204700000000 ] - [ 0.0044115400000000, -0.0016106000000000, -0.0042636200000000 ] - [ -0.0017957100000000, -0.0005694600000000, -0.0031773300000000 ] - [ 0.0011613700000000, 0.0018217500000000, 0.0028269100000000 ] - [ -0.0026852200000000, -0.0005469600000000, -0.0015947200000000 ]- atom: 19 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0004008700000000, 0.0000980900000000, 0.0001253800000000 ] - [ -0.0000686000000000, 0.0000628000000000, 0.0005801800000000 ] - [ 0.0000116600000000, 0.0003591200000000, 0.0006053300000000 ] - [ 0.0000626700000000, -0.0000855300000000, 0.0002835000000000 ] - [ 0.0005054600000000, 0.0000892500000000, -0.0004787600000000 ] - [ 0.0021380200000000, -0.0032981600000000, -0.0013230900000000 ] - [ 0.0000462600000000, 0.0005975500000000, -0.0009440500000000 ] - [ 0.0007265300000000, -0.0004360400000000, -0.0000652200000000 ] - [ 0.0104930100000000, 0.0105902100000000, -0.0048909700000000 ] - [ -0.0000675500000000, -0.0004282400000000, -0.0001263400000000 ] - [ 0.0064311400000000, -0.0036606900000000, -0.0013798600000000 ] - [ -0.0001758500000000, 0.0009518600000000, -0.0004340500000000 ] - [ 0.0008397400000000, 0.0019133500000000, 0.0006102700000000 ] - [ -0.0017330700000000, -0.0003876500000000, 0.0007881200000000 ] - [ 0.0007344600000000, -0.0009456400000000, 0.0001443600000000 ] - [ -0.0014092900000000, -0.0000459700000000, 0.0004761200000000 ] - [ 0.0009219400000000, -0.0004548900000000, -0.0004229800000000 ] - [ 0.0002350200000000, 0.0002597400000000, -0.0016782800000000 ] - [ 0.1548261100000000, -0.1112389800000000, 0.1448904700000000 ] - [ -0.0006621100000000, 0.0001399600000000, -0.0008117700000000 ] - [ 0.0019049200000000, 0.0025122800000000, 0.0038084500000000 ] - [ -0.0002460800000000, -0.0000442600000000, 0.0004970800000000 ] - [ 0.0002927500000000, -0.0001344600000000, 0.0008990400000000 ] - [ -0.0011394100000000, 0.0009351000000000, -0.0026073300000000 ] - [ 0.0011396300000000, -0.0001256400000000, 0.0002138400000000 ] - [ -0.0017767800000000, 0.0006518700000000, 0.0003834200000000 ] - [ 0.0001205200000000, -0.0002902200000000, 0.0002094800000000 ] - [ -0.0026293000000000, -0.0004667900000000, -0.0011667500000000 ] - [ 0.0005573900000000, -0.0002806200000000, -0.0003405900000000 ] - [ 0.0005972800000000, -0.0001278300000000, -0.0006662300000000 ] - [ 0.0062723200000000, 0.0026564300000000, 0.0001459400000000 ] - [ -0.0009146400000000, -0.0002820800000000, 0.0002505900000000 ] - [ 0.0015341100000000, -0.0008878200000000, 0.0003525900000000 ] - [ -0.0018111500000000, 0.0012250300000000, 0.0000775900000000 ] - [ 0.0015161300000000, 0.0000668000000000, -0.0006407800000000 ] - [ -0.0009193200000000, -0.0004161200000000, -0.0002684800000000 ] - [ 0.0004445800000000, 0.0000215500000000, 0.0003541700000000 ] - [ -0.0004044500000000, -0.0004298400000000, -0.0006311300000000 ] - [ -0.0042696000000000, 0.0095303100000000, -0.0011608800000000 ] - [ -0.0010547600000000, 0.0000945900000000, 0.0003627900000000 ] - [ 0.0002199600000000, 0.0001856500000000, -0.0000179000000000 ] - [ -0.0010104100000000, -0.0007694900000000, -0.0025347600000000 ] - [ -0.0130086900000000, -0.0030288200000000, -0.0046231800000000 ] - [ -0.0010864700000000, 0.0001712400000000, 0.0004389100000000 ] - [ 0.0009402400000000, -0.0001860400000000, -0.0000193900000000 ] - [ 0.0002700900000000, -0.0004145700000000, -0.0008685700000000 ] - [ -0.0005169600000000, 0.0000997800000000, 0.0002626100000000 ] - [ -0.0007695100000000, -0.0005932100000000, -0.0007891600000000 ] - [ -0.0006592400000000, 0.0003579200000000, 0.0002001700000000 ] - [ 0.0005503600000000, -0.0012393700000000, -0.0052350200000000 ] - [ 0.0001590600000000, 0.0001935000000000, 0.0014644100000000 ] - [ 0.0000556000000000, 0.0001430600000000, -0.0003616900000000 ] - [ 0.0101043600000000, 0.0017382900000000, -0.0067640400000000 ] - [ -0.0002084400000000, -0.0002351200000000, 0.0006440700000000 ] - [ 0.0005886400000000, 0.0016634300000000, -0.0025516400000000 ] - [ -0.0004646800000000, -0.0002957800000000, -0.0004025500000000 ] - [ -0.0004930200000000, 0.0001705800000000, 0.0000466100000000 ] - [ 0.0004324900000000, -0.0034521000000000, 0.0000298500000000 ] - [ -0.0006712100000000, 0.0007457400000000, 0.0019883000000000 ] - [ -0.0025049900000000, -0.0026077100000000, 0.0004688200000000 ] - [ 0.0001219000000000, 0.0007729500000000, -0.0003667000000000 ] - [ -0.0002190300000000, 0.0005768500000000, -0.0001839000000000 ] - [ 0.0003246500000000, 0.0017066300000000, -0.0017709500000000 ] - [ 0.0001673800000000, 0.0001483700000000, -0.0005220900000000 ] - [ -0.0000201800000000, 0.0005676900000000, 0.0008934900000000 ] - [ -0.0044710200000000, -0.0028914800000000, -0.0028051800000000 ] - [ 0.0026035900000000, -0.0017476800000000, 0.0016219400000000 ] - [ -0.0008460000000000, 0.0001392000000000, -0.0002366300000000 ] - [ -0.0039140800000000, 0.0020409500000000, -0.0117223300000000 ] - [ -0.0000610000000000, 0.0000621000000000, 0.0001683900000000 ] - [ 0.0005392600000000, 0.0004012500000000, -0.0003660100000000 ] - [ -0.0012696000000000, 0.0007603200000000, -0.0009269200000000 ] - [ -0.0407129500000000, 0.0114135700000000, -0.0226788500000000 ] - [ -0.0015442700000000, -0.0002002900000000, 0.0003982900000000 ] - [ -0.0011630300000000, 0.0019009800000000, -0.0003234700000000 ] - [ 0.0000850000000000, 0.0000747500000000, 0.0000935200000000 ] - [ -0.0000211600000000, -0.0003174600000000, -0.0004624000000000 ] - [ 0.0007209000000000, -0.0003155700000000, -0.0012682100000000 ] - [ -0.0001776800000000, -0.0001589000000000, 0.0003164800000000 ] - [ -0.0009464300000000, -0.0000454500000000, -0.0003275600000000 ] - [ -0.0022064400000000, 0.0010564100000000, 0.0020491000000000 ] - [ -0.0018442000000000, 0.0005599100000000, 0.0031707000000000 ] - [ -0.0004132400000000, 0.0002151500000000, 0.0012191100000000 ] - [ -0.0009470100000000, -0.0002527700000000, 0.0006395400000000 ] - [ 0.0002441200000000, -0.0004255900000000, -0.0012704800000000 ] - [ -0.0000014400000000, -0.0009279300000000, -0.0033772800000000 ] - [ 0.0006043800000000, 0.0003255700000000, -0.0010094200000000 ] - [ 0.0006102400000000, 0.0002580500000000, -0.0007336500000000 ] - [ 0.0003216300000000, -0.0013600600000000, 0.0010246400000000 ] - [ -0.0052510900000000, 0.0020653400000000, -0.0024668000000000 ] - [ 0.0019334300000000, 0.0005850400000000, 0.0009692200000000 ] - [ -0.0009052300000000, -0.0012391500000000, -0.0004414500000000 ] - [ 0.0015101800000000, -0.0003016400000000, 0.0007310600000000 ] - [ -0.0012422500000000, 0.0012075200000000, -0.0011845500000000 ] - [ 0.0005999100000000, 0.0006477900000000, -0.0001905100000000 ] - [ -0.0007359600000000, 0.0004213900000000, -0.0004424600000000 ] - [ 0.0000153800000000, -0.0000291100000000, 0.0008924400000000 ] - [ -0.0000080400000000, -0.0004777800000000, -0.0006600600000000 ] - [ 0.0003579300000000, -0.0002897300000000, 0.0017714200000000 ] - [ -0.0036951100000000, 0.0005656600000000, -0.0038071500000000 ] - [ 0.0004276500000000, 0.0006075400000000, -0.0008174100000000 ] - [ -0.0005504500000000, 0.0000635400000000, -0.0012498900000000 ] - [ 0.0024188700000000, 0.0011131100000000, 0.0014250200000000 ] - [ -0.0018656000000000, -0.0003381000000000, -0.0012841300000000 ] - [ -0.0043462400000000, -0.0014037400000000, 0.0007708700000000 ] - [ 0.0014629600000000, 0.0001371000000000, 0.0002846200000000 ] - [ -0.0012068200000000, 0.0005981100000000, -0.0018936600000000 ] - [ 0.0045533500000000, -0.0019902500000000, 0.0033209100000000 ] - [ -0.0024067100000000, -0.0012282400000000, -0.0022735000000000 ] - [ 0.0025276000000000, 0.0015965100000000, 0.0021257900000000 ] - [ 0.0003118600000000, -0.0087962500000000, -0.0007219100000000 ] - [ 0.0008233500000000, 0.0001868200000000, -0.0007330500000000 ] - [ -0.1170122100000000, 0.0774757000000000, -0.0858341800000000 ] - [ 0.0015529200000000, 0.0002733300000000, 0.0004238000000000 ] - [ -0.0005407800000000, -0.0000708700000000, -0.0004129400000000 ] - [ 0.0011209000000000, 0.0008226700000000, 0.0025853100000000 ] - [ 0.0002288900000000, -0.0001106600000000, -0.0010112100000000 ] - [ 0.0000059500000000, 0.0001463000000000, 0.0049487100000000 ] - [ -0.0002061200000000, 0.0006900900000000, -0.0001906800000000 ] - [ 0.0021647300000000, -0.0012822600000000, 0.0059458900000000 ] - [ -0.0002160700000000, -0.0002864200000000, 0.0018678700000000 ] - [ -0.0007485300000000, -0.0007027100000000, 0.0019073300000000 ] - [ 0.0117854800000000, 0.0000277100000000, 0.0003385000000000 ] - [ 0.0017485100000000, -0.0014794500000000, -0.0031547300000000 ] - [ -0.0012345500000000, 0.0022545100000000, -0.0000460000000000 ] - [ 0.0017249100000000, -0.0002780800000000, -0.0015898000000000 ] - [ -0.0033648400000000, 0.0024279600000000, 0.0012287400000000 ] - [ 0.0021094100000000, -0.0005661600000000, 0.0006559700000000 ] - [ 0.0021403800000000, 0.0003475200000000, -0.0022554900000000 ] - [ 0.0150310600000000, 0.0121871600000000, 0.0056631800000000 ] - [ -0.0177681400000000, 0.0038769300000000, -0.0140300000000000 ] - [ 0.0019627400000000, -0.0001855100000000, -0.0005477700000000 ] - [ -0.0072169100000000, -0.0048466600000000, -0.0010552100000000 ] - [ 0.0028363900000000, -0.0004674300000000, 0.0002004900000000 ] - [ -0.0019741400000000, 0.0006477700000000, -0.0008169600000000 ] - [ 0.0035586400000000, 0.0004315600000000, 0.0046879000000000 ] - [ -0.0007458300000000, 0.0001929400000000, -0.0008176300000000 ] - [ 0.0006552100000000, 0.0005129200000000, 0.0025420400000000 ] - [ -0.0011096600000000, -0.0016507200000000, 0.0025213100000000 ] - [ 0.0006961800000000, -0.0003023700000000, 0.0012425300000000 ] - [ -0.0046882600000000, 0.0007181300000000, 0.0033225100000000 ] - [ 0.0015482900000000, -0.0003449000000000, 0.0021578900000000 ] - [ -0.0013828600000000, -0.0009019000000000, -0.0038267400000000 ] - [ 0.0024490100000000, 0.0014684600000000, 0.0005843700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002221400000000, -0.0000571000000000, 0.0002199600000000 ] - [ -0.0001739700000000, 0.0000376200000000, 0.0004856200000000 ] - [ 0.0000839700000000, 0.0003119900000000, 0.0003736400000000 ] - [ -0.0000206000000000, -0.0000689700000000, 0.0004330800000000 ] - [ 0.0000261500000000, -0.0000094600000000, -0.0003601400000000 ] - [ 0.0020137000000000, -0.0006086100000000, -0.0005535800000000 ] - [ -0.0006288000000000, 0.0000446400000000, -0.0005094200000000 ] - [ 0.0005832400000000, -0.0001464700000000, -0.0001522300000000 ] - [ -0.0056111000000000, 0.0429473800000000, -0.0220431300000000 ] - [ 0.0004376600000000, -0.0001106200000000, -0.0002080400000000 ] - [ 0.0029940100000000, -0.0036963700000000, 0.0015281300000000 ] - [ 0.0003170700000000, 0.0005932400000000, -0.0006800200000000 ] - [ 0.0017378300000000, 0.0040459200000000, -0.0005314700000000 ] - [ -0.0010388100000000, 0.0002274100000000, 0.0006799600000000 ] - [ 0.0019423500000000, -0.0015609800000000, -0.0011734800000000 ] - [ -0.0011112900000000, -0.0002154000000000, 0.0006230300000000 ] - [ 0.0019446800000000, 0.0001996200000000, -0.0015248700000000 ] - [ 0.0001176200000000, -0.0005002800000000, -0.0008950400000000 ] - [ 0.1104389500000000, -0.1838156100000000, 0.1541637200000000 ] - [ -0.0002066200000000, 0.0000523700000000, -0.0006701500000000 ] - [ 0.0025590900000000, 0.0043165600000000, 0.0056121400000000 ] - [ 0.0000230500000000, -0.0000166900000000, 0.0004504900000000 ] - [ 0.0002008400000000, 0.0000191400000000, 0.0001592200000000 ] - [ -0.0008659800000000, 0.0005012700000000, -0.0010234200000000 ] - [ -0.0022425600000000, 0.0043523100000000, 0.0007635500000000 ] - [ -0.0007779300000000, 0.0003919300000000, 0.0002744200000000 ] - [ 0.0005541100000000, -0.0001964400000000, -0.0000556500000000 ] - [ -0.0027507200000000, -0.0006435000000000, -0.0007407400000000 ] - [ 0.0011454600000000, -0.0004169100000000, -0.0004260900000000 ] - [ -0.0006580200000000, 0.0001277700000000, -0.0007705200000000 ] - [ 0.0068434200000000, 0.0060611200000000, -0.0073046000000000 ] - [ -0.0003546200000000, -0.0000067600000000, 0.0000803400000000 ] - [ 0.0031916200000000, -0.0006290400000000, -0.0013736300000000 ] - [ -0.0006962400000000, 0.0004205200000000, -0.0000067800000000 ] - [ 0.0004780000000000, -0.0001846700000000, -0.0001950400000000 ] - [ -0.0005994300000000, -0.0003557600000000, -0.0001561700000000 ] - [ 0.0008122300000000, -0.0001433400000000, -0.0001412400000000 ] - [ -0.0005287000000000, 0.0000452400000000, -0.0001306300000000 ] - [ -0.0058270400000000, 0.0097633700000000, -0.0020811900000000 ] - [ -0.0006628900000000, 0.0000361800000000, 0.0001685300000000 ] - [ 0.0001191700000000, -0.0000044700000000, -0.0007225100000000 ] - [ -0.0008331500000000, -0.0004542800000000, -0.0017227300000000 ] - [ -0.0037694400000000, -0.0033153100000000, 0.0010966500000000 ] - [ 0.0002745500000000, 0.0002844100000000, -0.0000015600000000 ] - [ 0.0010774000000000, -0.0004991200000000, -0.0003477100000000 ] - [ 0.0002145800000000, -0.0001638600000000, -0.0004697900000000 ] - [ -0.0002388200000000, 0.0003663200000000, -0.0000242000000000 ] - [ -0.0010063800000000, -0.0002245500000000, -0.0001838300000000 ] - [ -0.0000918200000000, 0.0001824800000000, -0.0007994700000000 ] - [ -0.0003570200000000, -0.0003308000000000, -0.0016901700000000 ] - [ 0.0004160300000000, 0.0002959700000000, 0.0006660100000000 ] - [ -0.0000657400000000, 0.0001979300000000, 0.0004006100000000 ] - [ -0.0005758000000000, -0.0069507600000000, -0.0092589500000000 ] - [ 0.0002485100000000, -0.0002852200000000, 0.0003218000000000 ] - [ 0.0001113700000000, 0.0018046100000000, -0.0013065300000000 ] - [ -0.0000785300000000, -0.0001665400000000, -0.0010295300000000 ] - [ -0.0000489200000000, -0.0003195800000000, -0.0000332900000000 ] - [ 0.0003208800000000, -0.0001494800000000, 0.0005260900000000 ] - [ -0.0003177700000000, -0.0000709600000000, 0.0011057100000000 ] - [ -0.0010662500000000, -0.0013052100000000, 0.0006305700000000 ] - [ -0.0000664900000000, 0.0005517600000000, -0.0006757300000000 ] - [ -0.0000070500000000, 0.0003954700000000, -0.0000504600000000 ] - [ 0.0000648600000000, 0.0014812400000000, -0.0015695100000000 ] - [ 0.0002978000000000, 0.0002707800000000, -0.0006830800000000 ] - [ 0.0002156400000000, 0.0003617100000000, 0.0004749000000000 ] - [ -0.0020097800000000, -0.0013225400000000, -0.0012822800000000 ] - [ 0.0014304000000000, -0.0010742500000000, 0.0013707400000000 ] - [ -0.0002849200000000, -0.0000747500000000, 0.0000570000000000 ] - [ -0.0038516600000000, 0.0017414400000000, -0.0104205300000000 ] - [ 0.0000731700000000, 0.0001101900000000, -0.0001422300000000 ] - [ -0.0005046400000000, 0.0023466700000000, -0.0020460900000000 ] - [ -0.0009793300000000, 0.0006865400000000, -0.0008388600000000 ] - [ -0.0112389300000000, -0.0079177300000000, -0.0057099800000000 ] - [ -0.0004148400000000, 0.0000750300000000, 0.0003642700000000 ] - [ -0.0010737200000000, 0.0022593400000000, 0.0000779300000000 ] - [ 0.0005790400000000, 0.0001820700000000, -0.0000848900000000 ] - [ 0.0004999200000000, -0.0001423300000000, -0.0005349900000000 ] - [ -0.0005065800000000, -0.0009229800000000, -0.0011145400000000 ] - [ 0.0000831300000000, -0.0002361500000000, 0.0001117400000000 ] - [ -0.0012139500000000, 0.0001725200000000, -0.0001008600000000 ] - [ -0.0007910900000000, 0.0002723000000000, 0.0011470700000000 ] - [ -0.0002097300000000, 0.0000589900000000, 0.0014655300000000 ] - [ -0.0012727200000000, 0.0008827500000000, 0.0012181100000000 ] - [ -0.0005631500000000, -0.0000259300000000, 0.0004323600000000 ] - [ 0.0003267700000000, -0.0007042700000000, -0.0017086600000000 ] - [ -0.0001627700000000, -0.0008399600000000, -0.0026790600000000 ] - [ 0.0006642400000000, 0.0003874900000000, -0.0009865500000000 ] - [ 0.0004997700000000, 0.0004718400000000, -0.0015598800000000 ] - [ 0.0011848900000000, -0.0018025100000000, 0.0006178100000000 ] - [ -0.0017481100000000, 0.0000031800000000, -0.0006878700000000 ] - [ 0.0025054100000000, 0.0016112800000000, 0.0005618500000000 ] - [ -0.0004574900000000, -0.0009335600000000, -0.0002106800000000 ] - [ 0.0009311100000000, 0.0000426800000000, 0.0002583400000000 ] - [ -0.0005653100000000, 0.0010408100000000, -0.0006340100000000 ] - [ 0.0003478300000000, 0.0009776700000000, -0.0000763600000000 ] - [ -0.0005004500000000, 0.0004834100000000, -0.0004354300000000 ] - [ 0.0002933900000000, -0.0000156500000000, 0.0007517100000000 ] - [ -0.0004382000000000, 0.0001861800000000, 0.0000778500000000 ] - [ 0.0003969700000000, -0.0004011700000000, 0.0004746000000000 ] - [ -0.0010992500000000, -0.0000812600000000, -0.0011533900000000 ] - [ -0.0002976900000000, 0.0008800700000000, -0.0037163800000000 ] - [ -0.0002126100000000, 0.0001068200000000, -0.0009834100000000 ] - [ 0.0019155500000000, 0.0005369200000000, 0.0003585500000000 ] - [ -0.0006055400000000, -0.0000666500000000, -0.0003197500000000 ] - [ -0.0075704900000000, -0.0044120500000000, 0.0043295300000000 ] - [ 0.0006593200000000, 0.0000368700000000, 0.0001893700000000 ] - [ -0.0034067200000000, 0.0013002500000000, 0.0011910100000000 ] - [ 0.0022139900000000, -0.0001197400000000, 0.0011872100000000 ] - [ -0.0021983700000000, -0.0016004200000000, -0.0009680900000000 ] - [ 0.0010006100000000, 0.0001587400000000, 0.0006928700000000 ] - [ 0.0003168700000000, -0.0109819000000000, -0.0026050400000000 ] - [ -0.0000046200000000, 0.0000898000000000, -0.0001814000000000 ] - [ -0.0812642500000000, 0.1477820200000000, -0.1075898600000000 ] - [ 0.0001401700000000, 0.0001384300000000, 0.0006070000000000 ] - [ -0.0007815700000000, 0.0001829800000000, 0.0006298600000000 ] - [ 0.0011978100000000, 0.0004027100000000, 0.0013803000000000 ] - [ -0.0002908400000000, -0.0003399000000000, 0.0000785700000000 ] - [ 0.0015814600000000, -0.0000660200000000, 0.0014322300000000 ] - [ -0.0007104300000000, 0.0007298400000000, 0.0004013700000000 ] - [ 0.0027389800000000, -0.0005696900000000, 0.0045766900000000 ] - [ -0.0009005700000000, -0.0002642700000000, 0.0017194900000000 ] - [ 0.0009297700000000, -0.0003149100000000, 0.0041895100000000 ] - [ 0.0040084100000000, 0.0001703800000000, 0.0004870300000000 ] - [ -0.0001561000000000, -0.0001437500000000, -0.0007942200000000 ] - [ 0.0021432800000000, -0.0023200200000000, -0.0013298200000000 ] - [ 0.0005698500000000, -0.0001465300000000, -0.0012826300000000 ] - [ -0.0013548300000000, 0.0009119300000000, 0.0002093300000000 ] - [ 0.0013135900000000, -0.0002502800000000, 0.0006447900000000 ] - [ 0.0000964100000000, 0.0011575200000000, -0.0010535400000000 ] - [ 0.0044065800000000, 0.0049227100000000, 0.0008370500000000 ] - [ -0.0013718600000000, 0.0112979900000000, -0.0028217600000000 ] - [ 0.0003544100000000, -0.0003818400000000, -0.0000657700000000 ] - [ -0.0120740200000000, -0.0190015200000000, 0.0029359800000000 ] - [ 0.0010951100000000, -0.0003803200000000, 0.0004297900000000 ] - [ -0.0021494700000000, 0.0016099100000000, 0.0010137000000000 ] - [ 0.0027008000000000, 0.0008279300000000, 0.0019720400000000 ] - [ -0.0018858400000000, -0.0001885700000000, 0.0003206500000000 ] - [ 0.0015768900000000, 0.0000477400000000, 0.0011532700000000 ] - [ 0.0006801100000000, -0.0024608400000000, 0.0022217400000000 ] - [ 0.0000977000000000, -0.0004663600000000, 0.0018771600000000 ] - [ -0.0035838100000000, 0.0018307900000000, 0.0048755000000000 ] - [ 0.0002905100000000, -0.0003224100000000, 0.0014467500000000 ] - [ -0.0008528600000000, -0.0012746300000000, -0.0029000200000000 ] - [ 0.0014097500000000, 0.0003878000000000, -0.0003182100000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000023900000000, 0.0000826200000000, -0.0002399500000000 ] - [ -0.0000443600000000, -0.0000148100000000, -0.0005029900000000 ] - [ 0.0001345100000000, -0.0002914100000000, -0.0003598800000000 ] - [ 0.0002404500000000, 0.0000902000000000, -0.0004168500000000 ] - [ 0.0001938500000000, -0.0000144400000000, 0.0003788200000000 ] - [ -0.0017997500000000, 0.0005696200000000, 0.0005664700000000 ] - [ 0.0004079100000000, -0.0000656800000000, 0.0004945400000000 ] - [ -0.0008017800000000, 0.0001257000000000, 0.0001364100000000 ] - [ 0.0070482200000000, -0.0439338000000000, 0.0221577000000000 ] - [ 0.0007654000000000, 0.0001560300000000, -0.0001425900000000 ] - [ -0.0018176300000000, 0.0047098500000000, -0.0028215500000000 ] - [ 0.0008852800000000, 0.0003713500000000, -0.0006617600000000 ] - [ -0.0029687500000000, -0.0031172200000000, 0.0019014000000000 ] - [ -0.0001637300000000, 0.0007354300000000, 0.0006625600000000 ] - [ -0.0031390900000000, 0.0005919400000000, 0.0025118200000000 ] - [ -0.0000882600000000, -0.0007525200000000, 0.0007178000000000 ] - [ -0.0007495000000000, -0.0011646200000000, 0.0001898000000000 ] - [ 0.0010872000000000, -0.0004597200000000, -0.0004492700000000 ] - [ -0.1147470500000000, 0.1872528300000000, -0.1607576900000000 ] - [ 0.0000797600000000, -0.0000596900000000, -0.0003350400000000 ] - [ -0.0024516400000000, -0.0043409900000000, -0.0046427000000000 ] - [ 0.0001035900000000, 0.0000099200000000, 0.0005561700000000 ] - [ -0.0000745500000000, -0.0000145000000000, 0.0008484900000000 ] - [ 0.0009937100000000, -0.0004967000000000, 0.0020302400000000 ] - [ 0.0012693700000000, -0.0037340400000000, -0.0003746900000000 ] - [ -0.0002310700000000, 0.0002490100000000, 0.0001145000000000 ] - [ -0.0015628100000000, -0.0004465800000000, 0.0004448400000000 ] - [ 0.0017452800000000, 0.0000015400000000, 0.0011303500000000 ] - [ -0.0001426000000000, -0.0002229900000000, 0.0000382300000000 ] - [ 0.0016738500000000, -0.0007677100000000, 0.0003871000000000 ] - [ -0.0068025900000000, -0.0058633100000000, 0.0073757200000000 ] - [ 0.0003858500000000, 0.0001940300000000, 0.0000355900000000 ] - [ -0.0032550600000000, 0.0008415700000000, 0.0012742200000000 ] - [ 0.0006628400000000, -0.0002289600000000, -0.0001086200000000 ] - [ -0.0005235800000000, -0.0000060000000000, 0.0000882800000000 ] - [ 0.0005710400000000, 0.0001685900000000, 0.0000400900000000 ] - [ -0.0007894600000000, -0.0000461000000000, 0.0002639400000000 ] - [ 0.0005633600000000, -0.0002375100000000, 0.0002457200000000 ] - [ 0.0046032800000000, -0.0097226200000000, 0.0023894700000000 ] - [ -0.0005407300000000, 0.0000081800000000, 0.0001830100000000 ] - [ -0.0002455300000000, 0.0000119600000000, -0.0002803200000000 ] - [ 0.0007093400000000, 0.0004620900000000, 0.0007200800000000 ] - [ 0.0048232600000000, 0.0039638200000000, -0.0014735700000000 ] - [ 0.0007308200000000, 0.0003562000000000, -0.0003867900000000 ] - [ 0.0001243500000000, 0.0004555000000000, -0.0000025100000000 ] - [ 0.0009897000000000, 0.0001205200000000, 0.0001190700000000 ] - [ -0.0009678100000000, -0.0004151000000000, 0.0003763700000000 ] - [ -0.0001972600000000, 0.0001733300000000, 0.0005354900000000 ] - [ -0.0003106000000000, 0.0002378800000000, -0.0006357700000000 ] - [ -0.0000430100000000, 0.0007454300000000, 0.0002499500000000 ] - [ -0.0000157000000000, 0.0001256000000000, 0.0007708000000000 ] - [ 0.0004674200000000, 0.0002242600000000, 0.0010350000000000 ] - [ 0.0009844200000000, 0.0066286400000000, 0.0105905400000000 ] - [ 0.0001505900000000, -0.0001359500000000, 0.0011172500000000 ] - [ -0.0005094700000000, -0.0022262300000000, -0.0001441500000000 ] - [ -0.0003223600000000, -0.0002552500000000, -0.0004050800000000 ] - [ 0.0002500200000000, -0.0004153500000000, -0.0006452000000000 ] - [ -0.0001027500000000, -0.0006009600000000, -0.0012026900000000 ] - [ 0.0001146100000000, -0.0006600200000000, -0.0004268900000000 ] - [ 0.0008706000000000, 0.0005782800000000, 0.0000446100000000 ] - [ -0.0001361400000000, 0.0001974500000000, 0.0013543900000000 ] - [ -0.0001967300000000, 0.0003403800000000, 0.0007298100000000 ] - [ 0.0001372100000000, -0.0007487600000000, 0.0008922900000000 ] - [ -0.0000960400000000, 0.0004612000000000, 0.0000063000000000 ] - [ -0.0010727800000000, -0.0011342600000000, -0.0013385700000000 ] - [ 0.0011602300000000, 0.0005562300000000, 0.0004192900000000 ] - [ -0.0005980100000000, 0.0003279800000000, -0.0005144300000000 ] - [ 0.0011318700000000, -0.0006861300000000, 0.0008041400000000 ] - [ 0.0040069900000000, -0.0014405300000000, 0.0112050100000000 ] - [ 0.0000772900000000, 0.0001766700000000, 0.0009114000000000 ] - [ -0.0003446900000000, -0.0015793500000000, 0.0011802600000000 ] - [ 0.0001339900000000, 0.0000736000000000, -0.0000221000000000 ] - [ 0.0105245600000000, 0.0083383400000000, 0.0062396500000000 ] - [ -0.0002509400000000, 0.0002254500000000, 0.0001925200000000 ] - [ 0.0017268900000000, -0.0019562000000000, -0.0006398600000000 ] - [ 0.0000857000000000, 0.0001200100000000, -0.0004732100000000 ] - [ 0.0001607200000000, -0.0001615800000000, -0.0000219700000000 ] - [ 0.0011710900000000, 0.0006156400000000, 0.0005551100000000 ] - [ -0.0007473100000000, -0.0000652700000000, 0.0004465400000000 ] - [ 0.0005523300000000, -0.0004735800000000, 0.0006584800000000 ] - [ 0.0014361300000000, -0.0001056600000000, -0.0009697400000000 ] - [ 0.0008451200000000, 0.0001103300000000, -0.0012773700000000 ] - [ 0.0006496300000000, -0.0007081900000000, -0.0014167900000000 ] - [ -0.0000759800000000, 0.0001976800000000, -0.0006197700000000 ] - [ -0.0009631200000000, 0.0005305000000000, 0.0015175100000000 ] - [ -0.0004756400000000, 0.0006673200000000, 0.0025016200000000 ] - [ -0.0000265200000000, -0.0005593400000000, 0.0011740400000000 ] - [ 0.0001388000000000, -0.0006451600000000, 0.0017587200000000 ] - [ -0.0013812400000000, 0.0003835800000000, -0.0006430300000000 ] - [ 0.0015450100000000, -0.0014242400000000, 0.0006578000000000 ] - [ -0.0023157400000000, -0.0030376200000000, -0.0005405200000000 ] - [ 0.0006473200000000, -0.0004935200000000, 0.0002341800000000 ] - [ -0.0007344800000000, 0.0013660200000000, -0.0002250200000000 ] - [ 0.0007555800000000, 0.0003833400000000, 0.0006582700000000 ] - [ -0.0005344000000000, 0.0004672400000000, 0.0000629700000000 ] - [ 0.0003117700000000, 0.0009437100000000, 0.0004122900000000 ] - [ -0.0001454900000000, -0.0002735400000000, 0.0000156000000000 ] - [ 0.0006014500000000, -0.0004743800000000, 0.0007032700000000 ] - [ -0.0005487400000000, 0.0001121900000000, -0.0012425500000000 ] - [ 0.0009617500000000, -0.0002100000000000, 0.0003925400000000 ] - [ 0.0001564600000000, -0.0005864400000000, 0.0029961300000000 ] - [ 0.0000615900000000, 0.0001813300000000, 0.0002152200000000 ] - [ -0.0010589100000000, 0.0002347100000000, 0.0005099900000000 ] - [ 0.0014508000000000, 0.0008291500000000, 0.0011800300000000 ] - [ 0.0068417600000000, 0.0048845000000000, -0.0046735800000000 ] - [ -0.0013873200000000, 0.0004386800000000, -0.0005325300000000 ] - [ 0.0041487800000000, -0.0008535600000000, -0.0008678800000000 ] - [ -0.0014842100000000, 0.0005814100000000, -0.0008368400000000 ] - [ 0.0014904100000000, 0.0011529500000000, 0.0005998300000000 ] - [ -0.0017278000000000, -0.0006268900000000, -0.0010356200000000 ] - [ -0.0000799400000000, 0.0111483500000000, 0.0019648800000000 ] - [ 0.0002260800000000, 0.0000537200000000, -0.0004881200000000 ] - [ 0.0849575500000000, -0.1502263900000000, 0.1135006600000000 ] - [ -0.0003608200000000, 0.0000036500000000, 0.0000592500000000 ] - [ 0.0005605200000000, -0.0003301200000000, 0.0000351600000000 ] - [ -0.0014237100000000, -0.0005503200000000, -0.0007129500000000 ] - [ 0.0005172800000000, 0.0001997800000000, -0.0007493900000000 ] - [ -0.0013591800000000, -0.0000691700000000, -0.0020974400000000 ] - [ 0.0014130200000000, -0.0005381200000000, -0.0017366600000000 ] - [ -0.0020484900000000, 0.0007736700000000, -0.0059389600000000 ] - [ 0.0002025600000000, 0.0004497200000000, -0.0003863000000000 ] - [ -0.0016441300000000, 0.0004825900000000, -0.0028919000000000 ] - [ -0.0047530000000000, -0.0003586500000000, 0.0008593200000000 ] - [ -0.0005416600000000, -0.0000466800000000, 0.0021273100000000 ] - [ -0.0014975800000000, 0.0021401800000000, -0.0000057900000000 ] - [ 0.0001358300000000, -0.0000411700000000, -0.0000508900000000 ] - [ 0.0021217500000000, -0.0014359500000000, 0.0001015200000000 ] - [ -0.0005903500000000, -0.0002251000000000, -0.0003007100000000 ] - [ 0.0001471000000000, -0.0002404700000000, 0.0020735400000000 ] - [ -0.0041474900000000, -0.0039600800000000, 0.0001781100000000 ] - [ 0.0008902500000000, -0.0122310200000000, 0.0023323300000000 ] - [ -0.0008453600000000, -0.0003818600000000, -0.0004813800000000 ] - [ 0.0126766800000000, 0.0183550000000000, -0.0024492100000000 ] - [ -0.0006009100000000, -0.0003864300000000, 0.0001148900000000 ] - [ 0.0026494600000000, -0.0008381700000000, -0.0004719100000000 ] - [ -0.0022161700000000, -0.0000631900000000, -0.0014318900000000 ] - [ 0.0014052800000000, 0.0009523600000000, -0.0008724900000000 ] - [ -0.0020813100000000, 0.0007171400000000, -0.0017109100000000 ] - [ -0.0004467000000000, 0.0015366800000000, -0.0012059800000000 ] - [ 0.0001396300000000, -0.0004487600000000, -0.0008724900000000 ] - [ 0.0033102500000000, -0.0027322400000000, -0.0058433300000000 ] - [ -0.0005227300000000, -0.0005924500000000, -0.0024625300000000 ] - [ 0.0006172700000000, 0.0021802800000000, 0.0019043400000000 ] - [ -0.0016437600000000, 0.0005186500000000, -0.0006898000000000 ]- atom: 19 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0001529900000000, -0.0004846400000000, -0.0007357400000000 ] - [ 0.0000689600000000, -0.0000318100000000, -0.0006706500000000 ] - [ -0.0002276900000000, -0.0003862100000000, -0.0009137400000000 ] - [ 0.0004424600000000, 0.0003514000000000, -0.0009692900000000 ] - [ 0.0003696300000000, 0.0001079400000000, 0.0005732100000000 ] - [ -0.0006513400000000, -0.0000855300000000, 0.0005551300000000 ] - [ 0.0004791600000000, 0.0000384400000000, 0.0006297000000000 ] - [ -0.0006120100000000, 0.0000149300000000, 0.0003591000000000 ] - [ 0.0076498100000000, -0.0133332900000000, -0.0028799600000000 ] - [ 0.0004662400000000, -0.0000470200000000, -0.0000503500000000 ] - [ -0.0053533600000000, 0.0108543800000000, 0.0119466800000000 ] - [ 0.0007600400000000, 0.0005165500000000, -0.0004643600000000 ] - [ -0.0015525100000000, 0.0007249400000000, 0.0003831500000000 ] - [ -0.0003619500000000, 0.0004954000000000, 0.0007362600000000 ] - [ -0.0034311400000000, 0.0006026600000000, 0.0028028300000000 ] - [ 0.0000923400000000, -0.0008674400000000, 0.0007231100000000 ] - [ -0.0014972500000000, -0.0021802800000000, 0.0003845500000000 ] - [ 0.0013656300000000, 0.0000123800000000, -0.0008589700000000 ] - [ -0.0309617600000000, 0.0641787300000000, -0.1597734600000000 ] - [ -0.0001558000000000, -0.0000578600000000, -0.0002802100000000 ] - [ -0.0015688000000000, -0.0027520200000000, -0.0039834800000000 ] - [ -0.0001109600000000, 0.0000173700000000, 0.0006128100000000 ] - [ -0.0001303700000000, -0.0003576700000000, 0.0017597400000000 ] - [ 0.0019184700000000, -0.0007119000000000, 0.0025958600000000 ] - [ 0.0016869200000000, -0.0009209800000000, -0.0005718600000000 ] - [ -0.0008480600000000, 0.0004682000000000, 0.0001597600000000 ] - [ -0.0031032200000000, -0.0007007400000000, 0.0009931900000000 ] - [ 0.0029162700000000, 0.0001869500000000, 0.0012905600000000 ] - [ -0.0009835400000000, 0.0000377800000000, 0.0002977800000000 ] - [ 0.0026457100000000, -0.0014364100000000, 0.0000425200000000 ] - [ -0.0074088000000000, -0.0079119500000000, 0.0070369900000000 ] - [ 0.0002368700000000, 0.0000734200000000, 0.0001560100000000 ] - [ -0.0014294300000000, -0.0010384200000000, -0.0001096900000000 ] - [ 0.0002553700000000, 0.0001182900000000, -0.0000758300000000 ] - [ -0.0036123200000000, -0.0006881000000000, 0.0022220700000000 ] - [ 0.0008241300000000, 0.0002739200000000, 0.0001213500000000 ] - [ -0.0020899400000000, 0.0011475400000000, 0.0008522600000000 ] - [ 0.0009119200000000, -0.0005180300000000, 0.0000112400000000 ] - [ 0.0035014700000000, -0.0077774500000000, -0.0026619600000000 ] - [ -0.0008568100000000, 0.0001966500000000, 0.0003486300000000 ] - [ -0.0002985500000000, 0.0002883900000000, 0.0005013600000000 ] - [ 0.0010520200000000, 0.0005583700000000, 0.0008539800000000 ] - [ 0.0080167400000000, 0.0033721200000000, -0.0034889000000000 ] - [ -0.0002461000000000, 0.0000798700000000, -0.0002105600000000 ] - [ -0.0005656500000000, 0.0007927700000000, 0.0004746900000000 ] - [ 0.0013611100000000, -0.0000530600000000, 0.0000770400000000 ] - [ -0.0013734400000000, -0.0007259500000000, 0.0006950000000000 ] - [ 0.0007104200000000, 0.0008804900000000, 0.0003419100000000 ] - [ -0.0010335100000000, 0.0003496500000000, 0.0003885300000000 ] - [ 0.0017160100000000, 0.0002011000000000, -0.0017449400000000 ] - [ -0.0007621700000000, 0.0000515900000000, 0.0019172800000000 ] - [ 0.0008086200000000, 0.0003110800000000, 0.0006290500000000 ] - [ 0.0080026000000000, -0.0108834600000000, 0.0490108700000000 ] - [ -0.0002510400000000, -0.0000691600000000, 0.0016722700000000 ] - [ 0.0003379900000000, -0.0011242100000000, -0.0016880600000000 ] - [ -0.0007221600000000, -0.0003217100000000, 0.0002476000000000 ] - [ -0.0001974500000000, 0.0000986600000000, -0.0007916900000000 ] - [ 0.0007037300000000, -0.0007942200000000, -0.0013182500000000 ] - [ -0.0005540900000000, -0.0008667100000000, -0.0002421700000000 ] - [ 0.0011831700000000, 0.0005619300000000, -0.0002202300000000 ] - [ 0.0003984900000000, -0.0029242900000000, 0.0027688900000000 ] - [ -0.0003774900000000, 0.0004468100000000, 0.0010737000000000 ] - [ 0.0003331500000000, -0.0008195400000000, 0.0012802300000000 ] - [ -0.0002705000000000, 0.0009502100000000, 0.0006469700000000 ] - [ -0.0031768500000000, -0.0006470200000000, -0.0012623500000000 ] - [ 0.0003372200000000, -0.0001235500000000, -0.0002713900000000 ] - [ -0.0029846100000000, 0.0024095200000000, -0.0005159700000000 ] - [ 0.0012061200000000, -0.0006872800000000, 0.0008537600000000 ] - [ 0.0056255300000000, -0.0022399100000000, 0.0143462000000000 ] - [ 0.0000430300000000, 0.0002435700000000, 0.0020212500000000 ] - [ -0.0002296900000000, -0.0016049700000000, 0.0014802000000000 ] - [ 0.0002401800000000, -0.0000003100000000, 0.0001468200000000 ] - [ -0.0024542000000000, 0.0025724700000000, -0.0115953700000000 ] - [ -0.0011827400000000, -0.0001117300000000, 0.0001205000000000 ] - [ 0.0017526100000000, -0.0012713800000000, -0.0007374500000000 ] - [ -0.0008040000000000, 0.0005124200000000, -0.0004764600000000 ] - [ -0.0004137800000000, -0.0003570700000000, 0.0002248400000000 ] - [ 0.0037564600000000, 0.0021356700000000, 0.0016742800000000 ] - [ -0.0013953000000000, 0.0000290500000000, 0.0007778900000000 ] - [ 0.0013992300000000, -0.0005698100000000, 0.0007405300000000 ] - [ 0.0015094500000000, -0.0006853800000000, -0.0020505700000000 ] - [ 0.0003122900000000, -0.0000507800000000, -0.0011171800000000 ] - [ 0.0006952700000000, 0.0003178300000000, -0.0020688800000000 ] - [ -0.0001630500000000, 0.0002980700000000, -0.0008066900000000 ] - [ -0.0019510200000000, 0.0013453300000000, 0.0046924600000000 ] - [ -0.0003637800000000, 0.0007549500000000, 0.0035737700000000 ] - [ -0.0002115300000000, -0.0006127200000000, 0.0017952000000000 ] - [ 0.0001805900000000, -0.0009977200000000, 0.0017854900000000 ] - [ -0.0021499100000000, -0.0000329300000000, -0.0010056200000000 ] - [ 0.0002709800000000, -0.0008354400000000, -0.0000290800000000 ] - [ -0.0025787100000000, -0.0028952900000000, -0.0006083600000000 ] - [ 0.0006594800000000, -0.0004690800000000, 0.0001951800000000 ] - [ -0.0024488600000000, 0.0037874000000000, -0.0000449100000000 ] - [ 0.0006713800000000, 0.0002788300000000, 0.0006505800000000 ] - [ 0.0003929400000000, 0.0035930100000000, 0.0021623100000000 ] - [ 0.0004346100000000, 0.0009710000000000, 0.0007178600000000 ] - [ -0.0004640800000000, -0.0002159000000000, -0.0000466500000000 ] - [ 0.0007645000000000, -0.0002296200000000, 0.0001704200000000 ] - [ -0.0010008100000000, -0.0000461800000000, -0.0009118500000000 ] - [ 0.0013927700000000, -0.0002144600000000, 0.0002676100000000 ] - [ 0.0002504400000000, -0.0008352900000000, 0.0000223600000000 ] - [ -0.0000696800000000, 0.0002189300000000, 0.0004718400000000 ] - [ -0.0037460300000000, -0.0018337300000000, 0.0000039300000000 ] - [ 0.0012145300000000, 0.0008623400000000, 0.0009872200000000 ] - [ 0.0075019700000000, 0.0051715300000000, -0.0053512200000000 ] - [ -0.0014638300000000, 0.0006073500000000, -0.0006827700000000 ] - [ 0.0059963800000000, 0.0029051800000000, 0.0007221800000000 ] - [ -0.0008713600000000, -0.0003158000000000, 0.0000073200000000 ] - [ 0.0042789900000000, -0.0025341400000000, 0.0002539600000000 ] - [ -0.0016465400000000, 0.0000369200000000, -0.0006747800000000 ] - [ -0.0007053600000000, 0.0071441800000000, 0.0027468200000000 ] - [ 0.0011700800000000, -0.0000420700000000, -0.0010062800000000 ] - [ -0.0022908900000000, -0.0320261000000000, 0.0734388400000000 ] - [ 0.0005881000000000, 0.0001244300000000, -0.0003082000000000 ] - [ 0.0015658900000000, -0.0007092300000000, -0.0013992600000000 ] - [ -0.0024485900000000, -0.0005290300000000, -0.0005346900000000 ] - [ 0.0013049700000000, 0.0005571900000000, -0.0020877800000000 ] - [ -0.0052643000000000, -0.0007399700000000, -0.0017151300000000 ] - [ 0.0029360500000000, -0.0019197200000000, -0.0039276100000000 ] - [ -0.0039557200000000, 0.0017335400000000, -0.0079383800000000 ] - [ 0.0009812500000000, 0.0004555600000000, -0.0011241700000000 ] - [ -0.0027211700000000, 0.0038958100000000, -0.0011191800000000 ] - [ -0.0061074500000000, 0.0002580800000000, 0.0024215200000000 ] - [ 0.0009837000000000, 0.0002702300000000, 0.0016731800000000 ] - [ -0.0027334100000000, 0.0001848300000000, 0.0011361600000000 ] - [ 0.0009344800000000, -0.0005127700000000, 0.0000462700000000 ] - [ 0.0082110400000000, -0.0087644700000000, -0.0061810400000000 ] - [ -0.0007814000000000, -0.0003772800000000, -0.0006605000000000 ] - [ 0.0034806200000000, 0.0000386400000000, 0.0026491700000000 ] - [ -0.0020650100000000, 0.0007920800000000, 0.0030181900000000 ] - [ 0.0054139300000000, -0.0099362600000000, 0.0454763600000000 ] - [ -0.0001048100000000, -0.0001697200000000, -0.0012777400000000 ] - [ 0.0034914400000000, 0.0065982000000000, 0.0032206100000000 ] - [ 0.0001998600000000, -0.0005073300000000, -0.0001870900000000 ] - [ 0.0055003700000000, 0.0005451300000000, -0.0023692200000000 ] - [ -0.0035428000000000, -0.0001304400000000, -0.0017912000000000 ] - [ 0.0032211700000000, 0.0006494800000000, -0.0020415600000000 ] - [ -0.0034161400000000, 0.0004498600000000, -0.0010222800000000 ] - [ -0.0019784600000000, 0.0001583400000000, -0.0014762900000000 ] - [ 0.0004521900000000, -0.0007101200000000, -0.0019455500000000 ] - [ 0.0096479800000000, -0.0045124400000000, -0.0202452700000000 ] - [ 0.0001257400000000, -0.0005011600000000, -0.0033378300000000 ] - [ 0.0031973400000000, 0.0007904400000000, 0.0019663600000000 ] - [ -0.0018705200000000, 0.0003173100000000, -0.0001751300000000 ]- atom: 19 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0000684000000000, 0.0005054000000000, 0.0007214100000000 ] - [ -0.0002876900000000, 0.0000554700000000, 0.0006594200000000 ] - [ 0.0004505000000000, 0.0004114600000000, 0.0009372900000000 ] - [ -0.0002241100000000, -0.0003279400000000, 0.0009857700000000 ] - [ -0.0001505400000000, -0.0001307200000000, -0.0005581100000000 ] - [ 0.0008922400000000, 0.0000425900000000, -0.0005496000000000 ] - [ -0.0006998000000000, -0.0000581900000000, -0.0006559800000000 ] - [ 0.0003952200000000, -0.0000383000000000, -0.0003762700000000 ] - [ -0.0064057100000000, 0.0135672300000000, 0.0023673600000000 ] - [ 0.0007341000000000, 0.0000900100000000, -0.0003007200000000 ] - [ 0.0066220400000000, -0.0100356400000000, -0.0134741500000000 ] - [ 0.0004392500000000, 0.0004497000000000, -0.0008762800000000 ] - [ 0.0003724200000000, 0.0002654900000000, 0.0009417400000000 ] - [ -0.0008477200000000, 0.0004639200000000, 0.0006060800000000 ] - [ 0.0022476500000000, -0.0015731900000000, -0.0014722800000000 ] - [ -0.0012968200000000, -0.0000965800000000, 0.0006182700000000 ] - [ 0.0027038400000000, 0.0012156000000000, -0.0017316700000000 ] - [ -0.0001686000000000, -0.0009740800000000, -0.0004892000000000 ] - [ 0.0309692200000000, -0.0645282200000000, 0.1604279400000000 ] - [ 0.0000272600000000, 0.0000514000000000, -0.0007262200000000 ] - [ 0.0017155400000000, 0.0027720900000000, 0.0050269600000000 ] - [ 0.0002368300000000, -0.0000233400000000, 0.0003946100000000 ] - [ 0.0002564200000000, 0.0003659800000000, -0.0007598400000000 ] - [ -0.0017962100000000, 0.0007227600000000, -0.0016059400000000 ] - [ -0.0027012500000000, 0.0015696900000000, 0.0009602900000000 ] - [ -0.0001641900000000, 0.0001738900000000, 0.0002295600000000 ] - [ 0.0021026500000000, 0.0000618800000000, -0.0006040700000000 ] - [ -0.0039490100000000, -0.0008310000000000, -0.0009105700000000 ] - [ 0.0019942100000000, -0.0006794400000000, -0.0006900400000000 ] - [ -0.0016372100000000, 0.0007946000000000, -0.0004390200000000 ] - [ 0.0075148900000000, 0.0081964100000000, -0.0070016200000000 ] - [ -0.0002091800000000, 0.0001135800000000, -0.0000391100000000 ] - [ 0.0014254900000000, 0.0012103600000000, -0.0000189600000000 ] - [ -0.0002979000000000, 0.0000771000000000, -0.0000393700000000 ] - [ 0.0036096500000000, 0.0005022700000000, -0.0023523200000000 ] - [ -0.0008577300000000, -0.0004636700000000, -0.0002374500000000 ] - [ 0.0021259100000000, -0.0013357600000000, -0.0007407600000000 ] - [ -0.0008860600000000, 0.0003282800000000, 0.0000998000000000 ] - [ -0.0047260700000000, 0.0078726200000000, 0.0030501500000000 ] - [ -0.0003483900000000, -0.0001512900000000, 0.0000039800000000 ] - [ 0.0001731200000000, -0.0002827800000000, -0.0015089800000000 ] - [ -0.0011868600000000, -0.0005570300000000, -0.0018735800000000 ] - [ -0.0070124900000000, -0.0027485200000000, 0.0031447000000000 ] - [ 0.0012474000000000, 0.0005610300000000, -0.0001732400000000 ] - [ 0.0017743300000000, -0.0008434800000000, -0.0008264400000000 ] - [ -0.0001622000000000, 0.0000071800000000, -0.0004306000000000 ] - [ 0.0001713700000000, 0.0006832600000000, -0.0003464500000000 ] - [ -0.0019124100000000, -0.0009260900000000, 0.0000017800000000 ] - [ 0.0006336000000000, 0.0000709700000000, -0.0018290800000000 ] - [ -0.0021100200000000, 0.0002108900000000, 0.0002760800000000 ] - [ 0.0011640700000000, 0.0003686900000000, -0.0004763800000000 ] - [ -0.0004113400000000, 0.0001094000000000, 0.0008067400000000 ] - [ -0.0073777800000000, 0.0103305600000000, -0.0469936500000000 ] - [ 0.0006507100000000, -0.0003525800000000, -0.0002391500000000 ] - [ -0.0007437800000000, 0.0007077700000000, 0.0002639700000000 ] - [ 0.0003212800000000, -0.0000993700000000, -0.0016827900000000 ] - [ 0.0003983400000000, -0.0008329600000000, 0.0001149400000000 ] - [ -0.0005058700000000, 0.0000446900000000, 0.0006456900000000 ] - [ 0.0003484100000000, 0.0001388700000000, 0.0009342600000000 ] - [ -0.0013913100000000, -0.0013018200000000, 0.0008976400000000 ] - [ -0.0005961400000000, 0.0036424700000000, -0.0020925500000000 ] - [ 0.0001737400000000, 0.0002905300000000, -0.0004020600000000 ] - [ -0.0001324900000000, 0.0015625800000000, -0.0019703000000000 ] - [ 0.0004753700000000, -0.0002118200000000, -0.0013250500000000 ] - [ 0.0023322900000000, -0.0001086800000000, 0.0004022600000000 ] - [ -0.0012123600000000, -0.0006551800000000, -0.0006064800000000 ] - [ 0.0038596400000000, -0.0031956100000000, 0.0013926100000000 ] - [ -0.0003621700000000, -0.0000731600000000, 0.0000064500000000 ] - [ -0.0055145400000000, 0.0025379300000000, -0.0136878700000000 ] - [ 0.0001092000000000, 0.0000443000000000, -0.0012479100000000 ] - [ -0.0006185500000000, 0.0023858400000000, -0.0023583500000000 ] - [ -0.0010897200000000, 0.0007638800000000, -0.0010106400000000 ] - [ 0.0016313900000000, -0.0022438900000000, 0.0121047800000000 ] - [ 0.0005164400000000, 0.0004126500000000, 0.0004367500000000 ] - [ -0.0010934900000000, 0.0015828700000000, 0.0001822400000000 ] - [ 0.0014696300000000, -0.0002114600000000, -0.0000770700000000 ] - [ 0.0010749600000000, 0.0000538100000000, -0.0007863800000000 ] - [ -0.0030801600000000, -0.0024302500000000, -0.0022350100000000 ] - [ 0.0007359400000000, -0.0003336500000000, -0.0002202000000000 ] - [ -0.0020756700000000, 0.0002702600000000, -0.0001865200000000 ] - [ -0.0008761100000000, 0.0008590800000000, 0.0022408300000000 ] - [ 0.0003116000000000, 0.0002267400000000, 0.0013288200000000 ] - [ -0.0013432400000000, -0.0001444100000000, 0.0019022200000000 ] - [ -0.0004771000000000, -0.0001271100000000, 0.0006226800000000 ] - [ 0.0013153600000000, -0.0015184300000000, -0.0048767900000000 ] - [ -0.0002740500000000, -0.0009339000000000, -0.0037881000000000 ] - [ 0.0008515300000000, 0.0004440100000000, -0.0016208600000000 ] - [ 0.0004608400000000, 0.0008276600000000, -0.0016115700000000 ] - [ 0.0019628400000000, -0.0013981100000000, 0.0009822700000000 ] - [ -0.0004948800000000, -0.0005737500000000, -0.0000108200000000 ] - [ 0.0027903400000000, 0.0014877100000000, 0.0006428600000000 ] - [ -0.0004718400000000, -0.0009578100000000, -0.0001718800000000 ] - [ 0.0026385100000000, -0.0023504700000000, 0.0000617000000000 ] - [ -0.0004916100000000, 0.0011513200000000, -0.0006359800000000 ] - [ -0.0005877300000000, -0.0021990200000000, -0.0022066500000000 ] - [ -0.0006261200000000, 0.0004536200000000, -0.0007432900000000 ] - [ 0.0006141300000000, -0.0000723600000000, 0.0008152100000000 ] - [ -0.0006208000000000, -0.0000602500000000, 0.0005880900000000 ] - [ 0.0008573400000000, -0.0002444100000000, 0.0001610900000000 ] - [ -0.0015434300000000, -0.0000765600000000, -0.0010367400000000 ] - [ -0.0004002200000000, 0.0011254800000000, -0.0008230900000000 ] - [ -0.0000846700000000, 0.0000682200000000, -0.0012507000000000 ] - [ 0.0045896300000000, 0.0025878500000000, 0.0008514500000000 ] - [ -0.0003838200000000, -0.0001057000000000, -0.0001373800000000 ] - [ -0.0082936400000000, -0.0047372200000000, 0.0050346500000000 ] - [ 0.0007427400000000, -0.0001355100000000, 0.0003395900000000 ] - [ -0.0052820100000000, -0.0024128500000000, -0.0003660500000000 ] - [ 0.0016267900000000, 0.0007759000000000, 0.0003564100000000 ] - [ -0.0050154100000000, 0.0020425300000000, -0.0005877800000000 ] - [ 0.0009416100000000, -0.0004988700000000, 0.0003461600000000 ] - [ 0.0009263500000000, -0.0070533800000000, -0.0034385300000000 ] - [ -0.0009469500000000, 0.0001854100000000, 0.0003344500000000 ] - [ 0.0026320700000000, 0.0320601000000000, -0.0733010600000000 ] - [ -0.0008067600000000, 0.0000200000000000, 0.0009781200000000 ] - [ -0.0017949400000000, 0.0005716200000000, 0.0020658000000000 ] - [ 0.0022420100000000, 0.0003905200000000, 0.0012112100000000 ] - [ -0.0010816700000000, -0.0007032000000000, 0.0014270500000000 ] - [ 0.0054730100000000, 0.0005947300000000, 0.0010818700000000 ] - [ -0.0022411600000000, 0.0021048600000000, 0.0025893700000000 ] - [ 0.0046816500000000, -0.0015527600000000, 0.0066462700000000 ] - [ -0.0016845600000000, -0.0002717600000000, 0.0024740600000000 ] - [ 0.0020164900000000, -0.0036955200000000, 0.0024870900000000 ] - [ 0.0054152100000000, -0.0004431100000000, -0.0010817200000000 ] - [ -0.0016790000000000, -0.0004657200000000, -0.0003705800000000 ] - [ 0.0034529200000000, -0.0003631800000000, -0.0024709700000000 ] - [ -0.0002283800000000, 0.0003252700000000, -0.0013828700000000 ] - [ -0.0075609300000000, 0.0083715900000000, 0.0065600500000000 ] - [ 0.0015112300000000, -0.0000958900000000, 0.0010049500000000 ] - [ -0.0032419200000000, 0.0008773500000000, -0.0016405000000000 ] - [ 0.0024042800000000, 0.0001952700000000, -0.0019740800000000 ] - [ -0.0067267400000000, 0.0095884800000000, -0.0472767600000000 ] - [ -0.0003806100000000, -0.0005932200000000, 0.0007255800000000 ] - [ -0.0031056400000000, -0.0074625900000000, -0.0026476000000000 ] - [ 0.0003065200000000, -0.0002572000000000, 0.0007343500000000 ] - [ -0.0050374300000000, 0.0002203000000000, 0.0029181500000000 ] - [ 0.0040528100000000, 0.0009004300000000, 0.0023468500000000 ] - [ -0.0037224900000000, 0.0001139600000000, 0.0015015400000000 ] - [ 0.0029333500000000, 0.0003139500000000, 0.0004991300000000 ] - [ 0.0022345100000000, -0.0010750500000000, 0.0024985900000000 ] - [ -0.0002179900000000, -0.0002052500000000, 0.0029619500000000 ] - [ -0.0098832400000000, 0.0035963100000000, 0.0192300000000000 ] - [ -0.0003510700000000, -0.0004133400000000, 0.0023503800000000 ] - [ -0.0034520000000000, 0.0001154000000000, -0.0030168800000000 ] - [ 0.0016398600000000, 0.0005976500000000, -0.0008368900000000 ]- atom: 25 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0010068200000000, -0.0005053400000000, 0.0015565300000000 ] - [ -0.0007677500000000, -0.0000970100000000, -0.0005158600000000 ] - [ 0.0000533100000000, 0.0000033500000000, -0.0003141000000000 ] - [ -0.0001489600000000, -0.0001165300000000, 0.0009305000000000 ] - [ -0.0011691200000000, -0.0000200100000000, -0.0005074500000000 ] - [ 0.0014698100000000, -0.0044432800000000, -0.0007458700000000 ] - [ -0.0015623000000000, 0.0007352700000000, 0.0043649600000000 ] - [ -0.0009816500000000, -0.0003208600000000, -0.0003987400000000 ] - [ -0.0091712800000000, -0.0157095300000000, 0.0016274700000000 ] - [ 0.0022365200000000, 0.0011571000000000, -0.0003450000000000 ] - [ -0.0017357200000000, 0.0024098200000000, 0.0007687200000000 ] - [ 0.0016036300000000, -0.0004460900000000, -0.0013093000000000 ] - [ 0.0140016400000000, 0.0116077500000000, -0.0095806800000000 ] - [ 0.0021242200000000, 0.0019076000000000, 0.0000505600000000 ] - [ -0.0012660800000000, -0.0012982400000000, -0.0003181400000000 ] - [ -0.0005115900000000, -0.0001595800000000, 0.0012162000000000 ] - [ 0.0047258900000000, 0.0012156200000000, -0.0045202600000000 ] - [ 0.0032360400000000, 0.0021485700000000, 0.0004643000000000 ] - [ -0.0017138400000000, -0.0017580400000000, 0.0010236400000000 ] - [ 0.0012092000000000, -0.0002762100000000, -0.0000290500000000 ] - [ 0.0134371300000000, 0.0042768500000000, 0.0189732500000000 ] - [ 0.0016512300000000, 0.0002233400000000, 0.0007034500000000 ] - [ 0.0000140300000000, 0.0006452100000000, -0.0013438900000000 ] - [ -0.0000417200000000, -0.0011608300000000, 0.0030402100000000 ] - [ -0.4993008100000000, 0.0239241800000000, 0.0085296500000000 ] - [ 0.0030676000000000, -0.0005652000000000, 0.0000945300000000 ] - [ 0.0005083200000000, -0.0000687100000000, -0.0008000000000000 ] - [ -0.0001389300000000, -0.0002667300000000, 0.0009030700000000 ] - [ 0.0031953500000000, -0.0010967900000000, -0.0004200200000000 ] - [ -0.0093267100000000, 0.0023243300000000, 0.0002893200000000 ] - [ -0.0034544200000000, -0.0014601600000000, 0.0009677300000000 ] - [ 0.0012900500000000, 0.0008625900000000, -0.0003487400000000 ] - [ 0.0196038100000000, -0.0168565300000000, -0.0106438600000000 ] - [ 0.0028842200000000, -0.0006372000000000, -0.0004526800000000 ] - [ -0.0006394400000000, 0.0004802100000000, -0.0005900700000000 ] - [ -0.0000778600000000, -0.0003908800000000, 0.0001999800000000 ] - [ 0.0046482400000000, -0.0008366100000000, -0.0039163600000000 ] - [ 0.0030834200000000, -0.0012515200000000, 0.0015760600000000 ] - [ -0.0009077700000000, 0.0047384200000000, 0.0029632500000000 ] - [ 0.0012194300000000, -0.0011676900000000, -0.0005578500000000 ] - [ -0.0006805800000000, -0.0010525300000000, -0.0041051900000000 ] - [ 0.0020584800000000, 0.0022523600000000, 0.0051754000000000 ] - [ 0.0005642300000000, 0.0000561300000000, 0.0007384800000000 ] - [ 0.0035855200000000, 0.0011920200000000, -0.0013391400000000 ] - [ 0.0008647700000000, 0.0000511400000000, -0.0015920500000000 ] - [ 0.0006974600000000, 0.0005857800000000, 0.0008543600000000 ] - [ 0.0008090500000000, 0.0012599300000000, -0.0005921500000000 ] - [ -0.0030554800000000, -0.0033430900000000, 0.0027774400000000 ] - [ 0.0015091800000000, -0.0000457700000000, -0.0029104300000000 ] - [ -0.0030580800000000, -0.0006141000000000, 0.0045784700000000 ] - [ 0.0029286700000000, 0.0014650400000000, -0.0061873900000000 ] - [ -0.0001219500000000, -0.0001158000000000, 0.0038708100000000 ] - [ -0.0019891600000000, -0.0019939100000000, 0.0001231700000000 ] - [ 0.0015364800000000, -0.0003174200000000, -0.0000706800000000 ] - [ -0.0015724000000000, -0.0002569300000000, 0.0067051700000000 ] - [ 0.0020039000000000, 0.0002837400000000, -0.0039604400000000 ] - [ 0.0016689900000000, -0.0015793700000000, -0.0000505600000000 ] - [ 0.0339119400000000, -0.0279480900000000, -0.0021884600000000 ] - [ 0.0015387800000000, 0.0027958000000000, -0.0019303400000000 ] - [ 0.0005626600000000, -0.0003203200000000, 0.0013880300000000 ] - [ -0.0017900200000000, -0.0008505900000000, -0.0026862000000000 ] - [ 0.0008285500000000, -0.0005338200000000, 0.0007417300000000 ] - [ 0.0001938000000000, 0.0006621800000000, 0.0006137700000000 ] - [ 0.0002460600000000, 0.0002224400000000, -0.0014992900000000 ] - [ 0.0039158700000000, 0.0029748500000000, 0.0000982400000000 ] - [ 0.0030504000000000, -0.0000965700000000, 0.0019635700000000 ] - [ -0.0043747000000000, 0.0026367600000000, -0.0025099000000000 ] - [ 0.0018561700000000, -0.0012614300000000, 0.0012771500000000 ] - [ 0.0003379800000000, 0.0001176800000000, 0.0024977100000000 ] - [ 0.0000404600000000, 0.0002864900000000, -0.0015009300000000 ] - [ -0.0026973300000000, 0.0008569200000000, -0.0012793600000000 ] - [ -0.0001048100000000, 0.0005036000000000, -0.0004435100000000 ] - [ -0.0095388400000000, -0.0048063600000000, -0.0001406100000000 ] - [ 0.0031254200000000, 0.0011865800000000, 0.0006246000000000 ] - [ 0.0057148500000000, 0.0002993600000000, 0.0023620400000000 ] - [ 0.0048503800000000, -0.0008379500000000, -0.0022223000000000 ] - [ 0.0025160200000000, 0.0007011600000000, -0.0003027600000000 ] - [ -0.0047543200000000, -0.0020883600000000, -0.0004756500000000 ] - [ 0.0007465000000000, -0.0002305000000000, -0.0011037000000000 ] - [ 0.0006996400000000, -0.0004493300000000, 0.0014306200000000 ] - [ 0.0007457500000000, 0.0004175500000000, 0.0012836100000000 ] - [ 0.0019007500000000, -0.0027758100000000, -0.0032074700000000 ] - [ 0.0313024700000000, 0.0192674300000000, -0.0246855000000000 ] - [ 0.0009309800000000, 0.0001862300000000, 0.0001354800000000 ] - [ 0.0001262200000000, -0.0009091700000000, -0.0027235100000000 ] - [ -0.0002877100000000, 0.0003040200000000, 0.0012621200000000 ] - [ 0.0007259100000000, -0.0002282100000000, 0.0009064000000000 ] - [ -0.0006787000000000, 0.0007964900000000, -0.0043233000000000 ] - [ 0.0047076100000000, -0.0045587700000000, 0.0002260300000000 ] - [ 0.0019643800000000, -0.0024071300000000, 0.0011652900000000 ] - [ -0.0032375000000000, -0.0035469100000000, -0.0038423200000000 ] - [ 0.0015606900000000, 0.0002515200000000, 0.0009398300000000 ] - [ -0.0013467000000000, 0.0043651300000000, -0.0035841800000000 ] - [ 0.0027372100000000, -0.0007551000000000, 0.0014568400000000 ] - [ -0.0013706500000000, 0.0003901700000000, -0.0002809700000000 ] - [ 0.0000603300000000, 0.0005955700000000, -0.0004036900000000 ] - [ 0.0016720000000000, 0.0000201800000000, 0.0009940100000000 ] - [ 0.0340093500000000, 0.0084019100000000, 0.0325943600000000 ] - [ -0.0006188300000000, 0.0006538100000000, -0.0042128900000000 ] - [ 0.0007926400000000, -0.0004574300000000, 0.0020245600000000 ] - [ -0.0068119300000000, -0.0063342100000000, -0.0208401700000000 ] - [ 0.0013773000000000, 0.0003371900000000, 0.0010924200000000 ] - [ -0.0012317300000000, -0.0027780300000000, -0.0032168600000000 ] - [ 0.0034082200000000, 0.0019527700000000, 0.0019323600000000 ] - [ 0.0059395800000000, 0.0029767700000000, 0.0024827900000000 ] - [ -0.0018871500000000, -0.0009506700000000, -0.0008679900000000 ] - [ -0.0087953400000000, 0.0069970100000000, 0.0103380900000000 ] - [ -0.0051103200000000, -0.0019063900000000, -0.0008015600000000 ] - [ -0.0091502900000000, -0.0111808100000000, 0.0111041100000000 ] - [ -0.0072003100000000, -0.0002999400000000, -0.0020073000000000 ] - [ -0.0083821200000000, -0.0099586800000000, -0.0153857300000000 ] - [ -0.0058752000000000, 0.0005531100000000, 0.0020593400000000 ] - [ 0.0117004500000000, 0.0115218000000000, 0.0007241100000000 ] - [ -0.0042058900000000, -0.0005082000000000, 0.0006059500000000 ] - [ -0.0010948900000000, 0.0001370100000000, 0.0067650200000000 ] - [ -0.0019104100000000, -0.0016312400000000, -0.0044241100000000 ] - [ -0.0023298800000000, -0.0013939400000000, 0.0022574700000000 ] - [ 0.0061208900000000, 0.0033804800000000, -0.0057172400000000 ] - [ -0.0006390100000000, 0.0007714400000000, 0.0025481600000000 ] - [ -0.0002683600000000, -0.0003101900000000, -0.0031753900000000 ] - [ -0.0033491300000000, 0.0006416400000000, -0.0004329700000000 ] - [ 0.0128673500000000, 0.0020476700000000, 0.0143490500000000 ] - [ -0.0016365600000000, 0.0000602200000000, -0.0021773000000000 ] - [ -0.0034209700000000, -0.0011122600000000, 0.0058160000000000 ] - [ 0.3414787300000000, 0.0095977200000000, 0.0005626900000000 ] - [ -0.0041385500000000, 0.0003237600000000, -0.0010922300000000 ] - [ 0.0049702700000000, -0.0034229900000000, 0.0012893400000000 ] - [ -0.0005730200000000, 0.0010838600000000, 0.0001364700000000 ] - [ -0.0064296800000000, 0.0011742400000000, -0.0009443400000000 ] - [ -0.0011509300000000, 0.0194682700000000, -0.0070722200000000 ] - [ 0.0043273300000000, -0.0024895300000000, -0.0055998400000000 ] - [ -0.0040775900000000, -0.0003122500000000, 0.0016140700000000 ] - [ 0.0393310200000000, -0.0130540800000000, 0.0005695800000000 ] - [ -0.0062928800000000, -0.0006908700000000, 0.0002759500000000 ] - [ 0.0002784400000000, -0.0001659900000000, 0.0046110800000000 ] - [ -0.0002201500000000, 0.0005325600000000, -0.0032556300000000 ] - [ -0.0065507900000000, 0.0004076300000000, 0.0041442000000000 ] - [ -0.0020431500000000, -0.0049854100000000, -0.0254670200000000 ] - [ 0.0025964300000000, 0.0004688200000000, -0.0038333700000000 ] - [ -0.0014898000000000, -0.0006793000000000, 0.0047041000000000 ] - [ 0.0054291100000000, 0.0008935800000000, 0.0043034200000000 ] - [ -0.0043754200000000, -0.0000545300000000, -0.0024707900000000 ] - [ -0.0028449600000000, -0.0023161000000000, 0.0216617400000000 ] - [ -0.0040133600000000, 0.0017982600000000, -0.0042053700000000 ]- atom: 25 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0012367300000000, 0.0005268000000000, -0.0015639900000000 ] - [ 0.0005503400000000, 0.0001205800000000, 0.0004991700000000 ] - [ 0.0001661100000000, 0.0000191600000000, 0.0003288000000000 ] - [ 0.0003675400000000, 0.0001396800000000, -0.0009135700000000 ] - [ 0.0013948000000000, -0.0000039200000000, 0.0005274600000000 ] - [ -0.0012349100000000, 0.0044360600000000, 0.0007583000000000 ] - [ 0.0013518400000000, -0.0007660800000000, -0.0043788000000000 ] - [ 0.0007634100000000, 0.0002998800000000, 0.0003853400000000 ] - [ 0.0104908000000000, 0.0157124300000000, -0.0020013900000000 ] - [ -0.0010372900000000, -0.0011139200000000, -0.0000055100000000 ] - [ 0.0029407200000000, -0.0014426000000000, -0.0021050000000000 ] - [ -0.0004029800000000, 0.0014118000000000, -0.0000335600000000 ] - [ -0.0153614200000000, -0.0107685500000000, 0.0110341000000000 ] - [ -0.0033308300000000, -0.0009441700000000, 0.0012927400000000 ] - [ 0.0000551100000000, 0.0003415000000000, 0.0016730400000000 ] - [ -0.0006902100000000, -0.0008073100000000, 0.0001222000000000 ] - [ -0.0035495200000000, -0.0021888100000000, 0.0032082500000000 ] - [ -0.0020357200000000, -0.0031131000000000, -0.0018093700000000 ] - [ 0.0015981200000000, 0.0017511700000000, -0.0020111800000000 ] - [ -0.0013398100000000, 0.0002707700000000, -0.0009799800000000 ] - [ -0.0134412500000000, -0.0043133500000000, -0.0181938700000000 ] - [ -0.0015301200000000, -0.0002315600000000, 0.0002982000000000 ] - [ 0.0001142600000000, -0.0006421500000000, 0.0023600900000000 ] - [ 0.0001642400000000, 0.0011721700000000, -0.0020459600000000 ] - [ 0.4753363900000000, -0.0262023100000000, -0.0087297500000000 ] - [ -0.0040853900000000, 0.0012089000000000, 0.0002943400000000 ] - [ -0.0015166900000000, -0.0005730800000000, 0.0011907500000000 ] - [ -0.0008670900000000, -0.0003743000000000, -0.0005146100000000 ] - [ -0.0021994000000000, 0.0004586800000000, 0.0000335800000000 ] - [ 0.0103363100000000, -0.0029648200000000, -0.0006839700000000 ] - [ 0.0034907700000000, 0.0016594300000000, -0.0008273100000000 ] - [ -0.0012614500000000, -0.0006752100000000, 0.0004633400000000 ] - [ -0.0198631900000000, 0.0172257600000000, 0.0106114300000000 ] - [ -0.0029199400000000, 0.0008269600000000, 0.0003376200000000 ] - [ 0.0006057000000000, -0.0006719900000000, 0.0004811300000000 ] - [ 0.0000475300000000, 0.0002038800000000, -0.0003183800000000 ] - [ -0.0046379100000000, 0.0006453100000000, 0.0040594000000000 ] - [ -0.0030554100000000, 0.0010626000000000, -0.0014616300000000 ] - [ -0.0002792700000000, -0.0047336200000000, -0.0026173300000000 ] - [ -0.0024265700000000, 0.0012166700000000, 0.0009087500000000 ] - [ 0.0005584000000000, 0.0010637800000000, 0.0031149400000000 ] - [ -0.0021845500000000, -0.0022469300000000, -0.0061828900000000 ] - [ 0.0004594500000000, 0.0005915600000000, -0.0011307700000000 ] - [ -0.0025824500000000, -0.0005529900000000, 0.0009503100000000 ] - [ 0.0003378900000000, -0.0000937400000000, 0.0012453800000000 ] - [ 0.0005054300000000, -0.0006289200000000, -0.0012077800000000 ] - [ -0.0020192500000000, -0.0013126200000000, 0.0009479000000000 ] - [ 0.0018412400000000, 0.0032915600000000, -0.0024313700000000 ] - [ -0.0019161000000000, 0.0004682300000000, 0.0014839100000000 ] - [ 0.0026392200000000, 0.0010451100000000, -0.0060092200000000 ] - [ -0.0025303600000000, -0.0010456400000000, 0.0076349000000000 ] - [ 0.0005246800000000, 0.0005389600000000, -0.0024429500000000 ] - [ 0.0024049700000000, 0.0015710200000000, 0.0012834800000000 ] - [ -0.0011399000000000, -0.0001033700000000, 0.0015106300000000 ] - [ 0.0011815500000000, -0.0001704400000000, -0.0081778300000000 ] - [ -0.0024080600000000, -0.0007049600000000, 0.0025258400000000 ] - [ -0.0014718300000000, 0.0008493000000000, -0.0006288500000000 ] - [ -0.0332006400000000, 0.0268307400000000, 0.0014185700000000 ] - [ -0.0017456700000000, -0.0035355600000000, 0.0026096800000000 ] - [ -0.0007640900000000, -0.0004098300000000, -0.0007170200000000 ] - [ 0.0015932200000000, 0.0015743600000000, 0.0033608400000000 ] - [ -0.0010337700000000, 0.0012705900000000, -0.0000630000000000 ] - [ 0.0000094300000000, 0.0000704500000000, -0.0012904600000000 ] - [ -0.0000419500000000, 0.0005134000000000, 0.0008218900000000 ] - [ -0.0047781600000000, -0.0037572600000000, -0.0009601200000000 ] - [ -0.0038953300000000, -0.0006612500000000, -0.0028211800000000 ] - [ 0.0052183100000000, -0.0034039900000000, 0.0033813600000000 ] - [ -0.0010157500000000, 0.0005037500000000, -0.0004205600000000 ] - [ -0.0001812100000000, 0.0001694800000000, -0.0017198200000000 ] - [ 0.0001094900000000, 0.0000022200000000, 0.0022696600000000 ] - [ 0.0018626300000000, -0.0001038000000000, 0.0004311500000000 ] - [ -0.0007457400000000, 0.0002599300000000, -0.0004219200000000 ] - [ 0.0088645900000000, 0.0051060400000000, 0.0006957800000000 ] - [ -0.0038010100000000, -0.0008876000000000, -0.0000689000000000 ] - [ -0.0050747300000000, -0.0000080700000000, -0.0029324300000000 ] - [ -0.0042024100000000, 0.0011427900000000, 0.0016712100000000 ] - [ -0.0018579200000000, -0.0010061100000000, -0.0002527900000000 ] - [ 0.0054247900000000, 0.0017954000000000, -0.0000895800000000 ] - [ -0.0014074100000000, -0.0000717500000000, 0.0016635100000000 ] - [ -0.0013616100000000, 0.0001476200000000, -0.0008748600000000 ] - [ -0.0001043200000000, -0.0002475000000000, -0.0011077500000000 ] - [ -0.0012629700000000, 0.0029406400000000, 0.0033866900000000 ] - [ -0.0316667500000000, -0.0188495400000000, 0.0242972200000000 ] - [ -0.0015734000000000, -0.0000151000000000, -0.0003245000000000 ] - [ -0.0007615200000000, 0.0007365600000000, 0.0025382700000000 ] - [ -0.0003512400000000, -0.0004752100000000, -0.0014444500000000 ] - [ -0.0000894700000000, 0.0000553500000000, -0.0007177900000000 ] - [ 0.0013196500000000, -0.0009665500000000, 0.0045006700000000 ] - [ -0.0049320100000000, 0.0031658600000000, -0.0002494800000000 ] - [ -0.0021548300000000, 0.0009708900000000, -0.0011893900000000 ] - [ 0.0034140900000000, 0.0021159100000000, 0.0038809700000000 ] - [ -0.0013770700000000, -0.0016822500000000, -0.0009208900000000 ] - [ 0.0015637400000000, -0.0029636400000000, 0.0036298000000000 ] - [ -0.0025504000000000, 0.0021831800000000, -0.0014336500000000 ] - [ 0.0011882100000000, 0.0010404700000000, 0.0002632200000000 ] - [ -0.0002519600000000, 0.0008293700000000, 0.0003768000000000 ] - [ -0.0015279700000000, -0.0003100300000000, -0.0002276000000000 ] - [ -0.0335351000000000, -0.0085651300000000, -0.0315304200000000 ] - [ 0.0004664200000000, -0.0009428900000000, 0.0034449900000000 ] - [ -0.0009431000000000, 0.0001699300000000, -0.0028016400000000 ] - [ 0.0067821200000000, 0.0065953900000000, 0.0200963600000000 ] - [ -0.0015312700000000, -0.0000490600000000, -0.0018628300000000 ] - [ 0.0021059700000000, 0.0035726700000000, 0.0041115500000000 ] - [ -0.0025658700000000, -0.0011930500000000, -0.0010722200000000 ] - [ -0.0066556400000000, -0.0025040200000000, -0.0028741500000000 ] - [ 0.0011676900000000, 0.0014261200000000, 0.0005325300000000 ] - [ 0.0095610300000000, -0.0065846700000000, -0.0100660500000000 ] - [ 0.0058448700000000, 0.0023823600000000, 0.0011456700000000 ] - [ 0.0084438600000000, 0.0107965100000000, -0.0115295100000000 ] - [ 0.0064818200000000, -0.0001765800000000, 0.0016610500000000 ] - [ 0.0086341300000000, 0.0102043800000000, 0.0147982000000000 ] - [ 0.0061139000000000, -0.0004131500000000, -0.0027249900000000 ] - [ -0.0119073200000000, -0.0113728500000000, -0.0000382600000000 ] - [ 0.0039965800000000, 0.0006517100000000, 0.0000616100000000 ] - [ 0.0008691000000000, -0.0002841500000000, -0.0061160100000000 ] - [ 0.0016893700000000, 0.0014874100000000, 0.0051031800000000 ] - [ 0.0025596100000000, 0.0012584200000000, -0.0029392900000000 ] - [ -0.0058864500000000, -0.0035363100000000, 0.0050753800000000 ] - [ 0.0013414600000000, -0.0005850300000000, -0.0038848500000000 ] - [ 0.0009686200000000, 0.0004997300000000, 0.0018337500000000 ] - [ 0.0026580300000000, -0.0004545800000000, 0.0017665500000000 ] - [ -0.0135733700000000, -0.0018455000000000, -0.0129759300000000 ] - [ 0.0009232600000000, -0.0002515600000000, 0.0035282100000000 ] - [ 0.0027263600000000, 0.0009325900000000, -0.0044802100000000 ] - [ -0.3159813100000000, -0.0089983500000000, -0.0017832800000000 ] - [ 0.0048569300000000, -0.0005119300000000, -0.0002397000000000 ] - [ -0.0042517200000000, 0.0029543500000000, -0.0009646100000000 ] - [ 0.0013037400000000, -0.0015597100000000, 0.0002145200000000 ] - [ 0.0066901600000000, -0.0002680600000000, 0.0019651300000000 ] - [ 0.0014131900000000, -0.0185159500000000, 0.0080445400000000 ] - [ -0.0048750000000000, 0.0017141600000000, 0.0050266400000000 ] - [ 0.0035934400000000, -0.0004528800000000, -0.0021584000000000 ] - [ -0.0416034300000000, 0.0143382500000000, 0.0004608800000000 ] - [ 0.0068009700000000, -0.0000744000000000, 0.0002725400000000 ] - [ 0.0002237700000000, 0.0009259200000000, -0.0040799900000000 ] - [ 0.0007149000000000, 0.0002296700000000, 0.0038163500000000 ] - [ 0.0060876700000000, 0.0003617700000000, -0.0047137300000000 ] - [ 0.0015649000000000, 0.0057580200000000, 0.0249304900000000 ] - [ -0.0023799800000000, -0.0013830700000000, 0.0048479900000000 ] - [ 0.0017268300000000, -0.0002358900000000, -0.0036868300000000 ] - [ -0.0057257200000000, -0.0018125500000000, -0.0053059800000000 ] - [ 0.0041477600000000, -0.0008601600000000, 0.0014579100000000 ] - [ 0.0026374100000000, 0.0032530500000000, -0.0226862100000000 ] - [ 0.0037913200000000, -0.0008900700000000, 0.0032114000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005927100000000, 0.0004074700000000, 0.0002250300000000 ] - [ 0.0000775700000000, 0.0000756900000000, 0.0001210500000000 ] - [ 0.0001503700000000, -0.0000416800000000, 0.0001076600000000 ] - [ 0.0001662400000000, -0.0000457600000000, -0.0002966600000000 ] - [ 0.0005103200000000, -0.0000093200000000, 0.0002069000000000 ] - [ -0.0009869300000000, -0.0009912100000000, -0.0003288600000000 ] - [ 0.0011046300000000, 0.0004036300000000, -0.0029495200000000 ] - [ 0.0000050200000000, 0.0000847400000000, 0.0000833100000000 ] - [ 0.0022688400000000, 0.0161414300000000, -0.0008456600000000 ] - [ 0.0002011300000000, -0.0002346300000000, -0.0001118200000000 ] - [ 0.0006948700000000, 0.0008153700000000, -0.0008260100000000 ] - [ 0.0003705400000000, 0.0007552700000000, -0.0004809100000000 ] - [ -0.0021434500000000, -0.0051500000000000, 0.0029182700000000 ] - [ -0.0015458600000000, -0.0003624400000000, 0.0008357800000000 ] - [ -0.0009015500000000, -0.0001599000000000, 0.0012465600000000 ] - [ -0.0005147500000000, -0.0006828700000000, 0.0004370200000000 ] - [ -0.0009046200000000, -0.0011196900000000, 0.0006826000000000 ] - [ 0.0002561800000000, -0.0005584300000000, -0.0012179300000000 ] - [ 0.0003897000000000, 0.0040532200000000, -0.0017195500000000 ] - [ -0.0003970200000000, 0.0000682600000000, -0.0005562600000000 ] - [ -0.0032693300000000, -0.0036619500000000, -0.0055904000000000 ] - [ -0.0000885400000000, -0.0000393000000000, 0.0006920700000000 ] - [ 0.0000221000000000, -0.0000940600000000, 0.0009143400000000 ] - [ -0.0001240000000000, 0.0004531600000000, -0.0009923900000000 ] - [ 0.0259585000000000, -0.0858823100000000, -0.0086337200000000 ] - [ -0.0013965700000000, 0.0005232100000000, 0.0002258100000000 ] - [ -0.0007584000000000, -0.0003716400000000, 0.0004361500000000 ] - [ -0.0005583700000000, -0.0003339900000000, 0.0000384400000000 ] - [ -0.0002787100000000, -0.0001255200000000, -0.0001409300000000 ] - [ 0.0031700700000000, -0.0008219700000000, 0.0004041600000000 ] - [ 0.0007078200000000, 0.0006635500000000, 0.0011366400000000 ] - [ -0.0002572800000000, -0.0001222900000000, 0.0001637700000000 ] - [ -0.0077070800000000, 0.0067851500000000, 0.0040871000000000 ] - [ -0.0008002100000000, 0.0005308900000000, 0.0001102600000000 ] - [ 0.0001417800000000, 0.0001329500000000, -0.0001158200000000 ] - [ 0.0001466000000000, 0.0001161300000000, -0.0001626000000000 ] - [ -0.0005396600000000, -0.0001916700000000, 0.0005642900000000 ] - [ 0.0002239200000000, -0.0007406500000000, -0.0004413900000000 ] - [ 0.0000102900000000, -0.0015265000000000, -0.0000199900000000 ] - [ -0.0009242500000000, -0.0000435600000000, 0.0004916700000000 ] - [ -0.0000321500000000, 0.0001303700000000, -0.0000103400000000 ] - [ -0.0002150100000000, -0.0003242800000000, -0.0012404300000000 ] - [ 0.0007685100000000, 0.0006396300000000, -0.0004643400000000 ] - [ -0.0003734900000000, 0.0005045800000000, 0.0002859500000000 ] - [ 0.0004369200000000, 0.0003286400000000, 0.0000719000000000 ] - [ 0.0005645300000000, 0.0000338300000000, -0.0003945100000000 ] - [ -0.0009901900000000, -0.0004335500000000, 0.0003626200000000 ] - [ -0.0004945900000000, -0.0003607700000000, -0.0006693800000000 ] - [ -0.0006169700000000, 0.0002996100000000, -0.0002042900000000 ] - [ 0.0003734800000000, 0.0006839800000000, -0.0039823800000000 ] - [ 0.0003325000000000, 0.0002134000000000, 0.0007461600000000 ] - [ 0.0002971200000000, 0.0003237100000000, 0.0000827000000000 ] - [ 0.0009153900000000, 0.0023387900000000, 0.0019121800000000 ] - [ -0.0001956900000000, -0.0001450100000000, 0.0009974900000000 ] - [ 0.0000776400000000, -0.0004720800000000, -0.0024458100000000 ] - [ -0.0004964800000000, -0.0003836000000000, 0.0000332000000000 ] - [ -0.0002437500000000, -0.0000868800000000, -0.0004343200000000 ] - [ -0.0346904300000000, 0.0146745100000000, 0.0030161000000000 ] - [ 0.0002925000000000, 0.0011609200000000, 0.0006235800000000 ] - [ -0.0002202300000000, -0.0002738000000000, 0.0000105500000000 ] - [ 0.0002101500000000, 0.0016139200000000, 0.0013727600000000 ] - [ -0.0003872700000000, 0.0006650900000000, 0.0002151600000000 ] - [ 0.0000689000000000, 0.0002001300000000, -0.0005298400000000 ] - [ 0.0000614800000000, 0.0002429300000000, -0.0001503100000000 ] - [ -0.0010444000000000, -0.0009311700000000, -0.0004746000000000 ] - [ -0.0030806400000000, -0.0010806900000000, -0.0024727800000000 ] - [ 0.0005105300000000, -0.0003307700000000, 0.0001464800000000 ] - [ 0.0001545600000000, -0.0001689700000000, 0.0002637700000000 ] - [ 0.0001314900000000, 0.0002213600000000, 0.0001530300000000 ] - [ 0.0000941500000000, 0.0000898100000000, 0.0008845500000000 ] - [ 0.0001589700000000, -0.0001080600000000, 0.0000716500000000 ] - [ -0.0002999700000000, 0.0001967800000000, -0.0003327700000000 ] - [ 0.0037550000000000, 0.0046272400000000, 0.0006750000000000 ] - [ -0.0012275700000000, -0.0000581900000000, 0.0001861100000000 ] - [ -0.0008626700000000, -0.0001655000000000, -0.0010003800000000 ] - [ 0.0005129100000000, -0.0009285600000000, 0.0001251900000000 ] - [ -0.0003320700000000, -0.0003832400000000, -0.0002885400000000 ] - [ 0.0020097200000000, 0.0007947200000000, -0.0007598600000000 ] - [ -0.0003746700000000, -0.0001486900000000, 0.0004865800000000 ] - [ -0.0004550900000000, -0.0000833200000000, 0.0000514800000000 ] - [ 0.0002861500000000, 0.0000768300000000, -0.0002716900000000 ] - [ -0.0009245800000000, 0.0027689300000000, 0.0026507300000000 ] - [ 0.0160950900000000, -0.0028650000000000, -0.0084812600000000 ] - [ -0.0006332400000000, 0.0000288900000000, -0.0001811300000000 ] - [ -0.0003710400000000, 0.0002546000000000, 0.0004922700000000 ] - [ -0.0003561200000000, -0.0001327500000000, -0.0003548200000000 ] - [ 0.0001769600000000, -0.0001045900000000, -0.0000492800000000 ] - [ 0.0005331000000000, -0.0007929000000000, 0.0019743800000000 ] - [ -0.0018922300000000, 0.0008567000000000, -0.0001117700000000 ] - [ -0.0013701300000000, 0.0016333400000000, -0.0006324500000000 ] - [ 0.0000190800000000, -0.0017119400000000, 0.0010252900000000 ] - [ -0.0002118800000000, -0.0009825900000000, -0.0002004000000000 ] - [ 0.0009057000000000, 0.0001997400000000, 0.0006197500000000 ] - [ -0.0007834000000000, 0.0009427500000000, -0.0006461800000000 ] - [ -0.0000870600000000, 0.0007129900000000, -0.0001345800000000 ] - [ 0.0000005500000000, 0.0008582800000000, 0.0001938900000000 ] - [ -0.0003490300000000, -0.0002563200000000, 0.0001533400000000 ] - [ 0.0018455400000000, -0.0110124500000000, -0.0001771800000000 ] - [ 0.0000528900000000, 0.0001661400000000, 0.0007719300000000 ] - [ -0.0002606000000000, -0.0000250100000000, -0.0010385000000000 ] - [ 0.0002529800000000, 0.0019883000000000, 0.0097107000000000 ] - [ -0.0004647500000000, 0.0000793000000000, -0.0007394200000000 ] - [ 0.0011354300000000, 0.0018731100000000, 0.0018911200000000 ] - [ -0.0003872100000000, 0.0002020700000000, -0.0000109000000000 ] - [ -0.0004909100000000, 0.0005434100000000, -0.0022580200000000 ] - [ -0.0001981100000000, 0.0007344400000000, -0.0000107400000000 ] - [ 0.0044156600000000, -0.0025187500000000, -0.0039886900000000 ] - [ 0.0019782300000000, -0.0003268600000000, 0.0009114700000000 ] - [ 0.0003232900000000, 0.0019492700000000, -0.0020896700000000 ] - [ 0.0019730900000000, 0.0016579500000000, 0.0018425700000000 ] - [ 0.0015684100000000, 0.0041822900000000, 0.0031774500000000 ] - [ 0.0005933800000000, 0.0003966600000000, -0.0012060700000000 ] - [ -0.0058427400000000, -0.0131326000000000, -0.0005199200000000 ] - [ 0.0009707300000000, 0.0001559100000000, 0.0001764700000000 ] - [ 0.0000256100000000, -0.0004141400000000, -0.0002351600000000 ] - [ 0.0000944400000000, -0.0000640400000000, 0.0012415800000000 ] - [ 0.0008325300000000, 0.0002646200000000, -0.0009241800000000 ] - [ -0.0012593100000000, -0.0003001000000000, 0.0038331400000000 ] - [ 0.0005708500000000, -0.0000074100000000, -0.0014092800000000 ] - [ 0.0004485900000000, 0.0002581400000000, -0.0003123800000000 ] - [ 0.0005456300000000, -0.0000503200000000, 0.0009212400000000 ] - [ -0.0043058600000000, -0.0009817000000000, -0.0055305300000000 ] - [ -0.0002322500000000, -0.0003180600000000, 0.0014668800000000 ] - [ 0.0004252400000000, -0.0026072500000000, -0.0016881600000000 ] - [ 0.0323133100000000, 0.0506362300000000, -0.0007735400000000 ] - [ 0.0014610200000000, -0.0000978600000000, -0.0005111000000000 ] - [ 0.0002523300000000, -0.0005987700000000, 0.0005878000000000 ] - [ 0.0003787800000000, -0.0007282200000000, 0.0000904200000000 ] - [ 0.0015162500000000, -0.0002771400000000, 0.0009284700000000 ] - [ 0.0042261100000000, -0.0135908300000000, 0.0054933600000000 ] - [ -0.0022146700000000, -0.0021164800000000, -0.0000367700000000 ] - [ 0.0007491400000000, -0.0003317500000000, -0.0008655300000000 ] - [ -0.0325032800000000, 0.0304263300000000, 0.0044881700000000 ] - [ 0.0018304000000000, -0.0001412200000000, -0.0000218600000000 ] - [ 0.0004199800000000, -0.0000542600000000, -0.0009702100000000 ] - [ 0.0003500300000000, 0.0001123600000000, 0.0015507600000000 ] - [ 0.0014254800000000, 0.0009987900000000, -0.0011849800000000 ] - [ -0.0009966500000000, 0.0020032700000000, 0.0023626700000000 ] - [ -0.0005211800000000, -0.0002166600000000, 0.0013680800000000 ] - [ 0.0002987300000000, -0.0001195500000000, -0.0007745400000000 ] - [ -0.0022398300000000, -0.0030259500000000, -0.0014824900000000 ] - [ 0.0011967800000000, -0.0007426300000000, 0.0000227900000000 ] - [ -0.0012883600000000, 0.0016596300000000, 0.0019123100000000 ] - [ 0.0007166000000000, 0.0002092100000000, 0.0003466000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003705800000000, -0.0003838400000000, -0.0002478300000000 ] - [ -0.0002940200000000, -0.0000518600000000, -0.0001360900000000 ] - [ 0.0000695300000000, 0.0000654500000000, -0.0000892300000000 ] - [ 0.0000539200000000, 0.0000698100000000, 0.0003101400000000 ] - [ -0.0002869100000000, -0.0000134000000000, -0.0001882000000000 ] - [ 0.0011961200000000, 0.0009960100000000, 0.0003501900000000 ] - [ -0.0013174800000000, -0.0004322000000000, 0.0029167000000000 ] - [ -0.0002215800000000, -0.0001072300000000, -0.0000987900000000 ] - [ -0.0010688200000000, -0.0158437700000000, 0.0004800700000000 ] - [ 0.0009966000000000, 0.0002762500000000, -0.0002381100000000 ] - [ 0.0005174600000000, 0.0001394100000000, -0.0005253000000000 ] - [ 0.0008287600000000, 0.0002122100000000, -0.0008589600000000 ] - [ 0.0009355300000000, 0.0060688800000000, -0.0015602200000000 ] - [ 0.0003337800000000, 0.0013246100000000, 0.0005095900000000 ] - [ -0.0002976500000000, -0.0008001800000000, 0.0000986600000000 ] - [ -0.0006876000000000, -0.0002822700000000, 0.0009031400000000 ] - [ 0.0020896400000000, 0.0001475300000000, -0.0020095800000000 ] - [ 0.0009284900000000, -0.0004263500000000, -0.0001269300000000 ] - [ -0.0005186800000000, -0.0040329600000000, 0.0006859200000000 ] - [ 0.0002669400000000, -0.0000743600000000, -0.0004497000000000 ] - [ 0.0033845200000000, 0.0036182600000000, 0.0065438000000000 ] - [ 0.0002092100000000, 0.0000328600000000, 0.0003136400000000 ] - [ 0.0001037500000000, 0.0000993600000000, 0.0000957600000000 ] - [ 0.0002521800000000, -0.0004418500000000, 0.0019937800000000 ] - [ -0.0241951300000000, 0.0863250400000000, 0.0089992300000000 ] - [ 0.0003773600000000, 0.0001209900000000, 0.0001633200000000 ] - [ -0.0002531600000000, -0.0002696500000000, -0.0000439600000000 ] - [ -0.0004508600000000, -0.0003063300000000, 0.0003468800000000 ] - [ 0.0012767400000000, -0.0005126200000000, -0.0002472500000000 ] - [ -0.0021183300000000, 0.0001674200000000, -0.0007988400000000 ] - [ -0.0006619400000000, -0.0004643700000000, -0.0010285100000000 ] - [ 0.0002848800000000, 0.0003091800000000, -0.0000467700000000 ] - [ 0.0076018600000000, -0.0065360400000000, -0.0041726700000000 ] - [ 0.0007579400000000, -0.0003405700000000, -0.0002231300000000 ] - [ -0.0001702500000000, -0.0003244500000000, 0.0000016800000000 ] - [ -0.0001774400000000, -0.0003040700000000, 0.0000460600000000 ] - [ 0.0005601400000000, 0.0000065200000000, -0.0004425900000000 ] - [ -0.0002114800000000, 0.0005637100000000, 0.0005523700000000 ] - [ -0.0012161000000000, 0.0015661800000000, 0.0003630100000000 ] - [ -0.0002856700000000, 0.0000948000000000, -0.0001380800000000 ] - [ -0.0000924400000000, -0.0001205400000000, -0.0009832500000000 ] - [ 0.0000775700000000, 0.0003197700000000, 0.0002065100000000 ] - [ 0.0002332800000000, 0.0000014500000000, 0.0000719700000000 ] - [ 0.0013716400000000, 0.0001324300000000, -0.0006713800000000 ] - [ 0.0007658500000000, -0.0003752300000000, -0.0004181700000000 ] - [ 0.0006390900000000, -0.0000836700000000, 0.0000388700000000 ] - [ -0.0002182900000000, 0.0003843600000000, -0.0000092800000000 ] - [ -0.0006956400000000, 0.0003412800000000, 0.0010093200000000 ] - [ 0.0002105700000000, 0.0001228000000000, -0.0012257700000000 ] - [ -0.0007618200000000, -0.0002571500000000, 0.0025406700000000 ] - [ 0.0000585900000000, 0.0002029600000000, 0.0007166300000000 ] - [ 0.0001048000000000, 0.0000981600000000, 0.0013416500000000 ] - [ -0.0005125400000000, -0.0027443200000000, -0.0004474000000000 ] - [ 0.0005915000000000, -0.0002755900000000, 0.0004425100000000 ] - [ -0.0004748700000000, 0.0000529600000000, 0.0009879400000000 ] - [ 0.0000878900000000, -0.0000386300000000, -0.0014582200000000 ] - [ 0.0004405900000000, -0.0006428800000000, -0.0002435500000000 ] - [ 0.0351486600000000, -0.0154443700000000, -0.0037848800000000 ] - [ -0.0005027200000000, -0.0019144300000000, 0.0000626100000000 ] - [ 0.0000147800000000, -0.0004620600000000, 0.0006626300000000 ] - [ -0.0004028700000000, -0.0008806900000000, -0.0006851900000000 ] - [ 0.0001816100000000, 0.0000728100000000, 0.0004606900000000 ] - [ 0.0001330400000000, 0.0005352800000000, -0.0001511500000000 ] - [ 0.0001403300000000, 0.0004939800000000, -0.0005225300000000 ] - [ 0.0001829300000000, 0.0001620000000000, -0.0003889000000000 ] - [ 0.0022348600000000, 0.0003267900000000, 0.0016129800000000 ] - [ 0.0003544900000000, -0.0004447400000000, 0.0007277700000000 ] - [ 0.0006886600000000, -0.0005903800000000, 0.0005953900000000 ] - [ 0.0000161200000000, 0.0000685100000000, 0.0006043600000000 ] - [ 0.0000567600000000, 0.0001984500000000, -0.0001074900000000 ] - [ -0.0009991000000000, 0.0008710800000000, -0.0009313400000000 ] - [ -0.0005477600000000, 0.0005653800000000, -0.0005288100000000 ] - [ -0.0043753700000000, -0.0043047300000000, -0.0001157100000000 ] - [ 0.0005518800000000, 0.0003569600000000, 0.0003704900000000 ] - [ 0.0015133500000000, 0.0004703700000000, 0.0004351400000000 ] - [ 0.0001349700000000, 0.0012365000000000, -0.0006758000000000 ] - [ 0.0009884100000000, 0.0000783100000000, -0.0002693000000000 ] - [ -0.0013264800000000, -0.0010880300000000, 0.0002077100000000 ] - [ -0.0002931900000000, -0.0001533900000000, 0.0000758100000000 ] - [ -0.0002144200000000, -0.0002181200000000, 0.0005014800000000 ] - [ 0.0003493900000000, 0.0000946200000000, 0.0004545300000000 ] - [ 0.0015609000000000, -0.0025926700000000, -0.0024611300000000 ] - [ -0.0166787400000000, 0.0029708100000000, 0.0082559300000000 ] - [ -0.0000093000000000, 0.0001415400000000, -0.0000054400000000 ] - [ -0.0002699500000000, -0.0004224600000000, -0.0006660100000000 ] - [ -0.0002820500000000, -0.0000400100000000, 0.0001627800000000 ] - [ 0.0004598500000000, -0.0000656500000000, 0.0002323600000000 ] - [ 0.0001119400000000, 0.0006186300000000, -0.0017720900000000 ] - [ 0.0016860300000000, -0.0022692800000000, 0.0000866000000000 ] - [ 0.0011806000000000, -0.0030661200000000, 0.0006095700000000 ] - [ 0.0001826200000000, 0.0003010300000000, -0.0009852600000000 ] - [ 0.0003976500000000, -0.0004453800000000, 0.0002214800000000 ] - [ -0.0007165100000000, 0.0012199200000000, -0.0005857900000000 ] - [ 0.0009635800000000, 0.0004903900000000, 0.0006659100000000 ] - [ -0.0000987300000000, 0.0007121400000000, 0.0001111200000000 ] - [ -0.0001901900000000, 0.0005680200000000, -0.0002160500000000 ] - [ 0.0004938300000000, -0.0000325000000000, 0.0006135200000000 ] - [ -0.0018560300000000, 0.0106628400000000, 0.0008379600000000 ] - [ -0.0002013300000000, -0.0004585500000000, -0.0015293400000000 ] - [ 0.0001061400000000, -0.0002624200000000, 0.0002608200000000 ] - [ -0.0003914000000000, -0.0016891500000000, -0.0103707000000000 ] - [ 0.0003090700000000, 0.0002084400000000, -0.0000349200000000 ] - [ -0.0002869100000000, -0.0011014600000000, -0.0010170200000000 ] - [ 0.0012229800000000, 0.0005519900000000, 0.0008684800000000 ] - [ -0.0002613200000000, -0.0000880600000000, 0.0019059500000000 ] - [ -0.0005237500000000, -0.0002587900000000, -0.0003314100000000 ] - [ -0.0036537900000000, 0.0029715300000000, 0.0043059300000000 ] - [ -0.0012314800000000, 0.0008213900000000, -0.0005742500000000 ] - [ -0.0010203100000000, -0.0024103800000000, 0.0017248300000000 ] - [ -0.0026744600000000, -0.0021437200000000, -0.0021909700000000 ] - [ -0.0013269500000000, -0.0040241800000000, -0.0038085800000000 ] - [ -0.0003494700000000, -0.0002573800000000, 0.0005293800000000 ] - [ 0.0055505600000000, 0.0131949500000000, 0.0011696300000000 ] - [ -0.0011800000000000, -0.0000097500000000, 0.0004892200000000 ] - [ -0.0002439000000000, 0.0002724100000000, 0.0008802500000000 ] - [ -0.0003077400000000, -0.0000685300000000, -0.0005533700000000 ] - [ -0.0006011600000000, -0.0004038900000000, 0.0002488500000000 ] - [ 0.0014561800000000, 0.0001333900000000, -0.0045016300000000 ] - [ 0.0001357000000000, 0.0001906200000000, 0.0000611000000000 ] - [ 0.0002568200000000, -0.0000705000000000, -0.0010111800000000 ] - [ -0.0012372700000000, 0.0002363700000000, 0.0004187700000000 ] - [ 0.0035417300000000, 0.0011649900000000, 0.0068187400000000 ] - [ -0.0004602200000000, 0.0001307800000000, -0.0001221000000000 ] - [ -0.0011191400000000, 0.0024328700000000, 0.0030099200000000 ] - [ -0.0332436000000000, -0.0511367700000000, -0.0005545200000000 ] - [ -0.0007438000000000, -0.0000907500000000, -0.0008231700000000 ] - [ 0.0004540100000000, 0.0001447400000000, -0.0002452500000000 ] - [ 0.0003492400000000, 0.0002526600000000, 0.0002534000000000 ] - [ -0.0012572000000000, 0.0011894200000000, 0.0000864400000000 ] - [ -0.0040146700000000, 0.0144572700000000, -0.0044708900000000 ] - [ 0.0017198800000000, 0.0013515900000000, -0.0004680400000000 ] - [ -0.0012299200000000, -0.0004327800000000, 0.0003111500000000 ] - [ 0.0317793300000000, -0.0307682500000000, -0.0037613500000000 ] - [ -0.0013141900000000, -0.0006226600000000, 0.0005668200000000 ] - [ 0.0000728400000000, 0.0008212300000000, 0.0015037400000000 ] - [ 0.0001418800000000, 0.0006543900000000, -0.0009927700000000 ] - [ -0.0018973900000000, -0.0002299300000000, 0.0006250400000000 ] - [ 0.0005232600000000, -0.0012166600000000, -0.0027650300000000 ] - [ 0.0007525400000000, -0.0007019800000000, -0.0003436200000000 ] - [ -0.0000568800000000, -0.0007958000000000, 0.0017711200000000 ] - [ 0.0019958200000000, 0.0021057800000000, 0.0004353400000000 ] - [ -0.0014184200000000, -0.0001730800000000, -0.0010261200000000 ] - [ 0.0010692900000000, -0.0007310900000000, -0.0030220000000000 ] - [ -0.0009430800000000, 0.0007041000000000, -0.0013449000000000 ]- atom: 25 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0003602800000000, 0.0007330000000000, -0.0015917000000000 ] - [ 0.0001782400000000, 0.0000556000000000, 0.0001408800000000 ] - [ -0.0000444800000000, 0.0000266300000000, 0.0000156600000000 ] - [ 0.0005580000000000, 0.0000764800000000, -0.0009366100000000 ] - [ 0.0008920100000000, 0.0000062900000000, 0.0003861800000000 ] - [ -0.0006756800000000, 0.0036497400000000, 0.0018108500000000 ] - [ 0.0013243900000000, -0.0008850000000000, -0.0027620200000000 ] - [ 0.0002380700000000, 0.0001105900000000, 0.0002596100000000 ] - [ 0.0069236800000000, 0.0084018000000000, -0.0030805700000000 ] - [ -0.0003614500000000, -0.0006282300000000, -0.0001229700000000 ] - [ 0.0023102700000000, -0.0008844000000000, -0.0014090000000000 ] - [ -0.0002230500000000, 0.0012600800000000, -0.0000229700000000 ] - [ -0.0112705500000000, -0.0064131000000000, 0.0064484800000000 ] - [ -0.0018270000000000, -0.0003088200000000, 0.0005815000000000 ] - [ -0.0006443100000000, 0.0006542100000000, 0.0020615000000000 ] - [ -0.0006858300000000, -0.0006138500000000, 0.0006044400000000 ] - [ -0.0022817200000000, -0.0017094700000000, 0.0018128800000000 ] - [ 0.0007518100000000, -0.0000143200000000, -0.0019029200000000 ] - [ 0.0008747500000000, 0.0014683700000000, -0.0021471900000000 ] - [ -0.0009495800000000, 0.0002187300000000, -0.0009179300000000 ] - [ -0.0040400400000000, -0.0035312000000000, -0.0109858700000000 ] - [ -0.0013694500000000, -0.0002912900000000, 0.0000059100000000 ] - [ 0.0002106100000000, -0.0005564200000000, 0.0021442000000000 ] - [ 0.0005079100000000, 0.0002018400000000, -0.0004498100000000 ] - [ 0.2830899600000000, -0.0219577900000000, -0.0556259000000000 ] - [ -0.0026415800000000, 0.0008563000000000, 0.0002160600000000 ] - [ -0.0019011700000000, -0.0006621500000000, 0.0010537100000000 ] - [ -0.0001320600000000, -0.0002247200000000, -0.0000618300000000 ] - [ -0.0012361200000000, 0.0001707100000000, 0.0000604800000000 ] - [ 0.0065721400000000, -0.0013540300000000, 0.0007592300000000 ] - [ 0.0025814700000000, 0.0018113400000000, 0.0003438300000000 ] - [ -0.0009770700000000, -0.0005275500000000, 0.0005192100000000 ] - [ -0.0125915900000000, 0.0106930900000000, 0.0064295000000000 ] - [ -0.0014132200000000, 0.0005556400000000, -0.0003579000000000 ] - [ 0.0001223900000000, -0.0008418100000000, 0.0007615100000000 ] - [ -0.0000110900000000, 0.0000741700000000, 0.0000600900000000 ] - [ -0.0033609200000000, 0.0005480400000000, 0.0027179000000000 ] - [ 0.0001391300000000, -0.0007647700000000, -0.0010865300000000 ] - [ 0.0000959200000000, -0.0026037200000000, -0.0012952200000000 ] - [ -0.0021768600000000, 0.0010252800000000, 0.0006867800000000 ] - [ 0.0002782400000000, 0.0008164100000000, 0.0023593700000000 ] - [ -0.0001740600000000, -0.0005269200000000, -0.0018962900000000 ] - [ 0.0012412700000000, 0.0006943200000000, -0.0007708400000000 ] - [ -0.0022043000000000, -0.0005717000000000, 0.0005905600000000 ] - [ 0.0001310900000000, 0.0000150900000000, 0.0010310600000000 ] - [ 0.0007675200000000, -0.0001798700000000, -0.0005077600000000 ] - [ -0.0015425500000000, -0.0009280700000000, 0.0007960300000000 ] - [ 0.0007996400000000, 0.0004294900000000, -0.0007968000000000 ] - [ -0.0013188300000000, 0.0003792400000000, 0.0008420000000000 ] - [ 0.0023125700000000, -0.0001050900000000, -0.0053151700000000 ] - [ -0.0024963400000000, -0.0009302300000000, 0.0067994000000000 ] - [ 0.0004673100000000, 0.0003765800000000, -0.0004628500000000 ] - [ 0.0018997600000000, 0.0004610600000000, -0.0006242600000000 ] - [ -0.0005437300000000, -0.0001590600000000, 0.0011225400000000 ] - [ 0.0008165200000000, -0.0002381700000000, -0.0045688500000000 ] - [ -0.0022857800000000, -0.0006667100000000, 0.0021853700000000 ] - [ -0.0008544200000000, 0.0004113900000000, -0.0005863500000000 ] - [ -0.0274685700000000, 0.0217508000000000, -0.0067049400000000 ] - [ -0.0019382200000000, -0.0039903600000000, 0.0020332800000000 ] - [ -0.0003092000000000, -0.0003347600000000, -0.0002703100000000 ] - [ 0.0004414800000000, 0.0032240200000000, 0.0033353900000000 ] - [ -0.0005690200000000, 0.0007657600000000, 0.0002602700000000 ] - [ 0.0003204100000000, 0.0004321200000000, -0.0005955500000000 ] - [ -0.0003217800000000, 0.0002180600000000, 0.0007170200000000 ] - [ -0.0035759300000000, -0.0027831100000000, -0.0010455900000000 ] - [ -0.0031944100000000, -0.0011118900000000, -0.0028829000000000 ] - [ 0.0039328100000000, -0.0030784600000000, 0.0032200600000000 ] - [ -0.0002380000000000, 0.0000338000000000, 0.0001615600000000 ] - [ 0.0003759400000000, 0.0001319800000000, -0.0001695000000000 ] - [ -0.0000205200000000, 0.0000008100000000, 0.0019142900000000 ] - [ 0.0016661400000000, -0.0002297400000000, 0.0008922500000000 ] - [ -0.0005549400000000, 0.0001779000000000, -0.0000948600000000 ] - [ 0.0053647400000000, 0.0030869200000000, -0.0001069200000000 ] - [ -0.0025002000000000, -0.0004900400000000, 0.0000273300000000 ] - [ -0.0015959500000000, -0.0000691500000000, -0.0015286900000000 ] - [ -0.0042063100000000, 0.0014415700000000, 0.0011202700000000 ] - [ -0.0008098700000000, -0.0006186000000000, -0.0001243900000000 ] - [ 0.0032586100000000, 0.0004393900000000, -0.0001318700000000 ] - [ -0.0018954300000000, 0.0000992800000000, 0.0014797500000000 ] - [ 0.0000706700000000, -0.0001980300000000, -0.0000220700000000 ] - [ 0.0002609700000000, -0.0001494600000000, -0.0008030200000000 ] - [ -0.0007794100000000, 0.0017077900000000, 0.0016525200000000 ] - [ -0.0372109400000000, -0.0201340600000000, 0.0160225500000000 ] - [ -0.0010007500000000, 0.0000367300000000, -0.0002977200000000 ] - [ -0.0010050900000000, 0.0006837600000000, 0.0020929600000000 ] - [ -0.0002331100000000, -0.0002243300000000, -0.0005546000000000 ] - [ 0.0000652500000000, -0.0001266400000000, 0.0000808700000000 ] - [ 0.0003424700000000, -0.0012433900000000, 0.0050452100000000 ] - [ -0.0032058000000000, 0.0016866100000000, -0.0003570000000000 ] - [ -0.0018747400000000, 0.0011784500000000, -0.0016413300000000 ] - [ 0.0020190100000000, 0.0015523600000000, 0.0034828500000000 ] - [ -0.0005865400000000, -0.0011909200000000, -0.0003483100000000 ] - [ 0.0004315200000000, -0.0016123300000000, 0.0021526700000000 ] - [ -0.0010651700000000, 0.0011657900000000, -0.0008940500000000 ] - [ 0.0011679400000000, 0.0010269000000000, 0.0006595000000000 ] - [ -0.0001829100000000, 0.0008687000000000, 0.0005827300000000 ] - [ -0.0009649100000000, -0.0002531700000000, -0.0000041600000000 ] - [ 0.0037593200000000, -0.0007173000000000, -0.0106805000000000 ] - [ 0.0000989800000000, -0.0008949100000000, 0.0023389200000000 ] - [ -0.0003003900000000, -0.0000062000000000, -0.0013952200000000 ] - [ 0.0010193500000000, 0.0093792200000000, 0.0196426600000000 ] - [ -0.0008617000000000, 0.0000363700000000, -0.0011219800000000 ] - [ 0.0009479300000000, 0.0022279500000000, 0.0024195400000000 ] - [ -0.0008729000000000, -0.0000835900000000, -0.0005376900000000 ] - [ -0.0044621300000000, -0.0021283300000000, -0.0042149800000000 ] - [ 0.0005241000000000, 0.0010234500000000, -0.0003596300000000 ] - [ 0.0067800800000000, -0.0038099700000000, -0.0054606900000000 ] - [ 0.0026391200000000, -0.0002355900000000, 0.0027575600000000 ] - [ 0.0064247000000000, 0.0070407700000000, -0.0071977600000000 ] - [ 0.0024362000000000, 0.0013624500000000, 0.0025566100000000 ] - [ 0.0031565600000000, 0.0052463300000000, 0.0071186300000000 ] - [ 0.0057194500000000, -0.0003103900000000, -0.0021033800000000 ] - [ -0.0072482200000000, -0.0066097500000000, 0.0022949900000000 ] - [ 0.0024320800000000, 0.0003536300000000, 0.0003253400000000 ] - [ 0.0015812300000000, -0.0002184300000000, -0.0052127400000000 ] - [ -0.0003639700000000, 0.0001947000000000, 0.0017780600000000 ] - [ 0.0014423900000000, 0.0009185700000000, -0.0024024300000000 ] - [ -0.0040328500000000, 0.0000845800000000, 0.0030295700000000 ] - [ 0.0018561500000000, -0.0003105200000000, -0.0034166100000000 ] - [ -0.0001001500000000, 0.0001926000000000, 0.0000589500000000 ] - [ 0.0014221200000000, -0.0000327800000000, 0.0009249700000000 ] - [ -0.0093905400000000, -0.0026882800000000, -0.0138718900000000 ] - [ -0.0004153500000000, -0.0001228600000000, 0.0022224900000000 ] - [ 0.0026113400000000, 0.0017447900000000, -0.0026531800000000 ] - [ -0.1792571900000000, -0.0055913900000000, 0.0410781000000000 ] - [ 0.0030759900000000, -0.0003813700000000, -0.0002918100000000 ] - [ -0.0032409300000000, 0.0026215400000000, -0.0018352600000000 ] - [ 0.0009577600000000, -0.0011115900000000, -0.0004689600000000 ] - [ 0.0044631700000000, 0.0000417800000000, 0.0016790500000000 ] - [ 0.0015199700000000, -0.0126195600000000, 0.0085521200000000 ] - [ -0.0045797700000000, -0.0003029000000000, 0.0027359700000000 ] - [ 0.0029203700000000, -0.0003980700000000, -0.0017614700000000 ] - [ -0.0295421900000000, 0.0117964500000000, 0.0117459900000000 ] - [ 0.0039167500000000, -0.0002467700000000, 0.0008321900000000 ] - [ 0.0011903400000000, 0.0007150200000000, -0.0035015900000000 ] - [ -0.0000356500000000, 0.0001500100000000, 0.0013757300000000 ] - [ 0.0042251600000000, 0.0003245000000000, -0.0035993700000000 ] - [ -0.0033971200000000, 0.0025717400000000, 0.0066050900000000 ] - [ -0.0025821700000000, -0.0007536800000000, 0.0015820200000000 ] - [ 0.0022383500000000, -0.0002140500000000, -0.0040118700000000 ] - [ -0.0026559500000000, -0.0018366700000000, -0.0026660700000000 ] - [ 0.0018834500000000, -0.0006361200000000, 0.0002702200000000 ] - [ 0.0046606400000000, 0.0032714500000000, -0.0199955300000000 ] - [ 0.0015363100000000, -0.0000108900000000, 0.0011596500000000 ]- atom: 25 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0001355400000000, -0.0007057100000000, 0.0015717200000000 ] - [ -0.0003937800000000, -0.0000322400000000, -0.0001559300000000 ] - [ 0.0002657500000000, -0.0000038200000000, 0.0000023200000000 ] - [ -0.0003385000000000, -0.0000540400000000, 0.0009503800000000 ] - [ -0.0006694500000000, -0.0000295800000000, -0.0003669600000000 ] - [ 0.0009032700000000, -0.0036663300000000, -0.0018090500000000 ] - [ -0.0015413200000000, 0.0008637400000000, 0.0027333500000000 ] - [ -0.0004567900000000, -0.0001334400000000, -0.0002738800000000 ] - [ -0.0056713700000000, -0.0083854200000000, 0.0027122300000000 ] - [ 0.0015608300000000, 0.0006711900000000, -0.0002263300000000 ] - [ -0.0011097400000000, 0.0018515300000000, 0.0000687000000000 ] - [ 0.0014270100000000, -0.0002956300000000, -0.0013194200000000 ] - [ 0.0099612300000000, 0.0073247200000000, -0.0050581800000000 ] - [ 0.0006119400000000, 0.0012681700000000, 0.0007688100000000 ] - [ -0.0005621500000000, -0.0016178100000000, -0.0007168300000000 ] - [ -0.0005138100000000, -0.0003536300000000, 0.0007343000000000 ] - [ 0.0034710900000000, 0.0007412400000000, -0.0031438800000000 ] - [ 0.0004258300000000, -0.0009792800000000, 0.0005619300000000 ] - [ -0.0009950800000000, -0.0014787200000000, 0.0011493700000000 ] - [ 0.0008222300000000, -0.0002268200000000, -0.0000852600000000 ] - [ 0.0041828200000000, 0.0035041700000000, 0.0119354800000000 ] - [ 0.0014963700000000, 0.0002854700000000, 0.0010053500000000 ] - [ -0.0000867200000000, 0.0005633900000000, -0.0011378300000000 ] - [ -0.0003820300000000, -0.0001874400000000, 0.0014449900000000 ] - [ -0.2901198000000000, 0.0212514500000000, 0.0543676500000000 ] - [ 0.0016258500000000, -0.0002125800000000, 0.0001729900000000 ] - [ 0.0008939800000000, 0.0000204600000000, -0.0006632500000000 ] - [ -0.0008761300000000, -0.0004162900000000, 0.0004483200000000 ] - [ 0.0022313700000000, -0.0008090400000000, -0.0004486200000000 ] - [ -0.0055036100000000, 0.0006947900000000, -0.0011571800000000 ] - [ -0.0025531800000000, -0.0016240100000000, -0.0002218600000000 ] - [ 0.0010098000000000, 0.0007165600000000, -0.0004043000000000 ] - [ 0.0124740400000000, -0.0104424100000000, -0.0065083800000000 ] - [ 0.0013709200000000, -0.0003647900000000, 0.0002499600000000 ] - [ -0.0001564600000000, 0.0006525400000000, -0.0008758300000000 ] - [ -0.0000159900000000, -0.0002608900000000, -0.0001778700000000 ] - [ 0.0033782100000000, -0.0007369700000000, -0.0025883500000000 ] - [ -0.0001369500000000, 0.0005924500000000, 0.0011982900000000 ] - [ -0.0012966600000000, 0.0026382200000000, 0.0016427000000000 ] - [ 0.0009729600000000, -0.0009791200000000, -0.0003330700000000 ] - [ -0.0004043200000000, -0.0008080500000000, -0.0033620300000000 ] - [ 0.0000340000000000, 0.0005201200000000, 0.0008575600000000 ] - [ -0.0002316800000000, -0.0000518600000000, 0.0003802000000000 ] - [ 0.0032111800000000, 0.0012150700000000, -0.0009769600000000 ] - [ 0.0010715800000000, -0.0000582700000000, -0.0013811400000000 ] - [ 0.0004360900000000, 0.0001285200000000, 0.0001518900000000 ] - [ 0.0003326600000000, 0.0008769600000000, -0.0004432400000000 ] - [ -0.0019912700000000, -0.0004507300000000, 0.0011332300000000 ] - [ 0.0009131300000000, 0.0000426700000000, -0.0022737500000000 ] - [ -0.0027141500000000, 0.0005368500000000, 0.0038784700000000 ] - [ 0.0029013800000000, 0.0013534200000000, -0.0053676200000000 ] - [ -0.0000644200000000, 0.0000452800000000, 0.0018852700000000 ] - [ -0.0014882300000000, -0.0008856300000000, 0.0020402300000000 ] - [ 0.0009395600000000, -0.0002618900000000, 0.0003185000000000 ] - [ -0.0012164700000000, -0.0001843700000000, 0.0031201600000000 ] - [ 0.0018838500000000, 0.0002443200000000, -0.0036153800000000 ] - [ 0.0010525300000000, -0.0011417100000000, -0.0000925400000000 ] - [ 0.0279460000000000, -0.0227192800000000, 0.0061558700000000 ] - [ 0.0017408700000000, 0.0032749100000000, -0.0013556000000000 ] - [ 0.0001066500000000, -0.0003990800000000, 0.0009432300000000 ] - [ -0.0006316100000000, -0.0024639600000000, -0.0026342700000000 ] - [ 0.0003623200000000, -0.0000279200000000, 0.0004162400000000 ] - [ -0.0001201500000000, 0.0003000800000000, -0.0000838700000000 ] - [ 0.0005249900000000, 0.0005160300000000, -0.0013919500000000 ] - [ 0.0027154600000000, 0.0020067500000000, 0.0001811100000000 ] - [ 0.0023503100000000, 0.0003591200000000, 0.0020289900000000 ] - [ -0.0030966800000000, 0.0023223700000000, -0.0023604400000000 ] - [ 0.0010852200000000, -0.0007944200000000, 0.0006987700000000 ] - [ -0.0002264700000000, 0.0001566700000000, 0.0009356600000000 ] - [ 0.0001723900000000, 0.0002871000000000, -0.0011413700000000 ] - [ -0.0025157400000000, 0.0009910000000000, -0.0017538800000000 ] - [ -0.0002871500000000, 0.0005810500000000, -0.0007651400000000 ] - [ -0.0060254300000000, -0.0027825200000000, 0.0006650500000000 ] - [ 0.0018267300000000, 0.0007889200000000, 0.0005290800000000 ] - [ 0.0022591700000000, 0.0003716000000000, 0.0009685100000000 ] - [ 0.0048738900000000, -0.0011469000000000, -0.0016706100000000 ] - [ 0.0014648900000000, 0.0003129400000000, -0.0004332100000000 ] - [ -0.0025738000000000, -0.0007319700000000, -0.0004263700000000 ] - [ 0.0012331800000000, -0.0004022000000000, -0.0009210800000000 ] - [ -0.0007441200000000, -0.0001032100000000, 0.0005746200000000 ] - [ 0.0003784100000000, 0.0003190900000000, 0.0009820300000000 ] - [ 0.0014136100000000, -0.0015272300000000, -0.0014562900000000 ] - [ 0.0371552900000000, 0.0207197900000000, -0.0163209700000000 ] - [ 0.0003598300000000, 0.0001342100000000, 0.0001087700000000 ] - [ 0.0003670800000000, -0.0008533700000000, -0.0022753200000000 ] - [ -0.0004067100000000, 0.0000526300000000, 0.0003670100000000 ] - [ 0.0005705100000000, -0.0000445300000000, 0.0001037400000000 ] - [ 0.0003061400000000, 0.0010671000000000, -0.0048394100000000 ] - [ 0.0030022500000000, -0.0030997100000000, 0.0003310600000000 ] - [ 0.0016885900000000, -0.0026151600000000, 0.0016256100000000 ] - [ -0.0018351500000000, -0.0029872300000000, -0.0034586500000000 ] - [ 0.0007754300000000, -0.0002362000000000, 0.0003703700000000 ] - [ -0.0002335200000000, 0.0030247600000000, -0.0021185500000000 ] - [ 0.0012429800000000, 0.0002688600000000, 0.0009153800000000 ] - [ -0.0013595400000000, 0.0003987600000000, -0.0006846300000000 ] - [ -0.0000023400000000, 0.0005597100000000, -0.0006039700000000 ] - [ 0.0011092700000000, -0.0000363700000000, 0.0007677300000000 ] - [ -0.0039416800000000, 0.0003851600000000, 0.0112448900000000 ] - [ -0.0002491300000000, 0.0006087500000000, -0.0031038000000000 ] - [ 0.0001488500000000, -0.0002822000000000, 0.0006201200000000 ] - [ -0.0011667300000000, -0.0089451600000000, -0.0201516900000000 ] - [ 0.0007063100000000, 0.0002513500000000, 0.0003507900000000 ] - [ -0.0000928400000000, -0.0014520800000000, -0.0015459000000000 ] - [ 0.0017077000000000, 0.0008364900000000, 0.0013973200000000 ] - [ 0.0037479600000000, 0.0026064000000000, 0.0038678300000000 ] - [ -0.0012541800000000, -0.0005469000000000, 0.0000191400000000 ] - [ -0.0060316800000000, 0.0042581200000000, 0.0057891000000000 ] - [ -0.0018893700000000, 0.0007325800000000, -0.0024351100000000 ] - [ -0.0071273000000000, -0.0074636600000000, 0.0068126100000000 ] - [ -0.0031305700000000, -0.0018537400000000, -0.0029162700000000 ] - [ -0.0029203500000000, -0.0050868600000000, -0.0077658100000000 ] - [ -0.0054992300000000, 0.0004528000000000, 0.0014283800000000 ] - [ 0.0070237500000000, 0.0067621500000000, -0.0016148900000000 ] - [ -0.0026449900000000, -0.0002081000000000, 0.0003376800000000 ] - [ -0.0018056100000000, 0.0000719700000000, 0.0058796100000000 ] - [ 0.0001536600000000, -0.0003258700000000, -0.0010881300000000 ] - [ -0.0012083300000000, -0.0010576800000000, 0.0017311600000000 ] - [ 0.0042351900000000, -0.0002564600000000, -0.0036821600000000 ] - [ -0.0011547100000000, 0.0004975400000000, 0.0020751600000000 ] - [ 0.0008065900000000, -0.0000041900000000, -0.0013895700000000 ] - [ -0.0021113800000000, 0.0002185100000000, 0.0004133800000000 ] - [ 0.0085781900000000, 0.0028642000000000, 0.0151185800000000 ] - [ -0.0002883900000000, -0.0000642900000000, -0.0008768300000000 ] - [ -0.0033145200000000, -0.0019450600000000, 0.0039789600000000 ] - [ 0.1867423100000000, 0.0055762200000000, -0.0407873700000000 ] - [ -0.0023611400000000, 0.0001922400000000, -0.0010386700000000 ] - [ 0.0039744400000000, -0.0030979600000000, 0.0021794300000000 ] - [ -0.0002375600000000, 0.0006357900000000, 0.0008139900000000 ] - [ -0.0042071100000000, 0.0008718900000000, -0.0006588500000000 ] - [ -0.0012793200000000, 0.0135146000000000, -0.0075572500000000 ] - [ 0.0040763500000000, -0.0004626900000000, -0.0032899300000000 ] - [ -0.0034119000000000, -0.0003670800000000, 0.0012095300000000 ] - [ 0.0288480500000000, -0.0116820900000000, -0.0113442900000000 ] - [ -0.0034052100000000, -0.0005165900000000, -0.0002949300000000 ] - [ -0.0006938500000000, 0.0000479200000000, 0.0040430100000000 ] - [ 0.0005240400000000, 0.0006158600000000, -0.0008140000000000 ] - [ -0.0046936100000000, 0.0004411700000000, 0.0030468700000000 ] - [ 0.0029375600000000, -0.0017679300000000, -0.0069738800000000 ] - [ 0.0028255100000000, -0.0001624000000000, -0.0005613900000000 ] - [ -0.0020052600000000, -0.0006987200000000, 0.0050120200000000 ] - [ 0.0023894700000000, 0.0009082700000000, 0.0016600500000000 ] - [ -0.0021029500000000, -0.0002802700000000, -0.0012767000000000 ] - [ -0.0049034300000000, -0.0023531300000000, 0.0190235200000000 ] - [ -0.0017736500000000, 0.0009241300000000, -0.0021583800000000 ]- atom: 31 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0003078000000000, 0.0000822900000000, 0.0004731100000000 ] - [ 0.0006028900000000, 0.0000670100000000, -0.0003722700000000 ] - [ 0.0007476600000000, -0.0008402700000000, -0.0007578300000000 ] - [ -0.0006248800000000, -0.0000042200000000, 0.0002919900000000 ] - [ -0.0004487300000000, -0.0000698400000000, 0.0007694900000000 ] - [ 0.0008534200000000, -0.0006280800000000, -0.0009913200000000 ] - [ -0.0035022000000000, 0.0008882600000000, -0.0035391700000000 ] - [ -0.0016959400000000, 0.0003487300000000, 0.0002649700000000 ] - [ -0.0005469400000000, 0.0026056000000000, -0.0014444800000000 ] - [ 0.0012014700000000, 0.0003675300000000, -0.0001152200000000 ] - [ -0.0105001300000000, 0.0138059000000000, 0.0072272500000000 ] - [ 0.0022054100000000, -0.0005505000000000, -0.0012810000000000 ] - [ -0.0001109100000000, 0.0008603000000000, -0.0006534500000000 ] - [ -0.0005558300000000, 0.0003306000000000, 0.0011440200000000 ] - [ 0.0228516500000000, -0.0070680800000000, -0.0334471100000000 ] - [ 0.0009451800000000, -0.0014404300000000, 0.0003314500000000 ] - [ 0.0015704800000000, 0.0005009900000000, -0.0020963500000000 ] - [ 0.0004497000000000, -0.0007240200000000, -0.0000603400000000 ] - [ -0.0062636200000000, 0.0067887800000000, -0.0139158700000000 ] - [ 0.0008638500000000, -0.0003735600000000, 0.0004206000000000 ] - [ -0.0014669700000000, -0.0032140900000000, -0.0023190800000000 ] - [ 0.0018599300000000, 0.0006763300000000, 0.0021006900000000 ] - [ -0.0014682600000000, 0.0005036300000000, -0.0049711600000000 ] - [ 0.0009616000000000, -0.0005806800000000, 0.0021557400000000 ] - [ -0.0039718300000000, 0.0010004600000000, 0.0008911900000000 ] - [ 0.0007676300000000, 0.0000506200000000, -0.0001221500000000 ] - [ 0.0041257100000000, 0.0002278400000000, -0.0006636500000000 ] - [ 0.0025593700000000, -0.0005313700000000, 0.0025010300000000 ] - [ -0.0001235700000000, -0.0001654300000000, -0.0004556000000000 ] - [ 0.0004437300000000, -0.0001595900000000, -0.0002354100000000 ] - [ -0.2506486900000000, -0.1563542500000000, 0.1560353000000000 ] - [ 0.0019227900000000, 0.0008716400000000, -0.0004630200000000 ] - [ 0.0006253900000000, -0.0000857000000000, -0.0012345200000000 ] - [ 0.0000536000000000, 0.0002356200000000, 0.0004292200000000 ] - [ -0.0056918800000000, -0.0032904800000000, 0.0025226400000000 ] - [ 0.0017139600000000, 0.0006634500000000, -0.0003177000000000 ] - [ 0.0011765000000000, -0.0008164600000000, -0.0012449200000000 ] - [ -0.0001427400000000, 0.0000866100000000, 0.0006530900000000 ] - [ 0.0144291100000000, -0.0114751800000000, -0.0042439900000000 ] - [ 0.0009659600000000, -0.0009337500000000, 0.0002201800000000 ] - [ -0.0004888600000000, -0.0007979500000000, -0.0033698600000000 ] - [ 0.0003567400000000, 0.0005483100000000, 0.0008854700000000 ] - [ 0.0201227300000000, 0.0079167000000000, -0.0016603400000000 ] - [ 0.0034010600000000, 0.0010995500000000, 0.0001367300000000 ] - [ 0.0022514700000000, -0.0028846700000000, -0.0015093700000000 ] - [ 0.0006237800000000, 0.0007920400000000, 0.0004300300000000 ] - [ -0.0006742500000000, 0.0007799200000000, -0.0013394800000000 ] - [ -0.0005893100000000, -0.0003751000000000, 0.0005950700000000 ] - [ 0.0006479500000000, -0.0001240700000000, -0.0040766400000000 ] - [ -0.0008747000000000, 0.0001997200000000, 0.0008460100000000 ] - [ 0.0021010500000000, 0.0016205800000000, -0.0024601600000000 ] - [ 0.0002457200000000, 0.0002562200000000, 0.0018849800000000 ] - [ 0.0002266000000000, -0.0000409600000000, -0.0031767700000000 ] - [ 0.0002118500000000, -0.0001667100000000, 0.0011284800000000 ] - [ -0.0024943200000000, -0.0037552000000000, 0.0048547200000000 ] - [ 0.0014757000000000, 0.0000192700000000, -0.0019291000000000 ] - [ 0.0008992800000000, -0.0008821100000000, -0.0011663600000000 ] - [ -0.0003958200000000, -0.0007270400000000, 0.0024823000000000 ] - [ 0.0010682100000000, 0.0028629200000000, 0.0021724300000000 ] - [ 0.0034866300000000, 0.0025659600000000, -0.0000614000000000 ] - [ 0.0000991700000000, 0.0005598800000000, -0.0002997200000000 ] - [ -0.0006462900000000, 0.0008872500000000, 0.0005862400000000 ] - [ -0.0016516500000000, -0.0037507100000000, 0.0019880700000000 ] - [ 0.0013790400000000, 0.0010958600000000, -0.0007674800000000 ] - [ -0.0001980800000000, -0.0007169400000000, -0.0015346300000000 ] - [ -0.0000153200000000, -0.0001576100000000, 0.0003131100000000 ] - [ -0.0059235500000000, 0.0049621000000000, -0.0011745100000000 ] - [ 0.0025321400000000, -0.0012091400000000, 0.0013600800000000 ] - [ 0.0104257300000000, 0.0019103400000000, 0.0179103100000000 ] - [ 0.0014671500000000, -0.0000601900000000, 0.0008915600000000 ] - [ -0.0155361400000000, 0.0060462900000000, -0.0063774000000000 ] - [ 0.0014852300000000, -0.0003979100000000, 0.0002582300000000 ] - [ -0.0050662000000000, -0.0002139800000000, -0.0003629600000000 ] - [ 0.0010469700000000, 0.0004054500000000, 0.0000343500000000 ] - [ 0.0036856600000000, -0.0033702100000000, 0.0004720900000000 ] - [ 0.0052926500000000, -0.0001261600000000, 0.0009834500000000 ] - [ -0.0015739600000000, -0.0005672000000000, -0.0010304600000000 ] - [ 0.0005044500000000, -0.0003785300000000, -0.0003663200000000 ] - [ 0.0020834500000000, -0.0010481500000000, -0.0001927000000000 ] - [ -0.0017312600000000, 0.0006499200000000, 0.0007294200000000 ] - [ 0.0035320300000000, -0.0011102100000000, -0.0030969900000000 ] - [ 0.0006571300000000, 0.0000713700000000, 0.0031392900000000 ] - [ -0.0016587100000000, 0.0001608200000000, 0.0044508800000000 ] - [ 0.0006634400000000, 0.0006887400000000, -0.0015512600000000 ] - [ 0.0012655000000000, -0.0008924900000000, -0.0021800700000000 ] - [ -0.0013694600000000, 0.0010326400000000, 0.0049561300000000 ] - [ -0.0005114900000000, -0.0000615000000000, 0.0004627900000000 ] - [ 0.0008605600000000, 0.0003102700000000, -0.0010413700000000 ] - [ 0.0000580100000000, -0.0004604400000000, -0.0010187200000000 ] - [ 0.0000030700000000, -0.0009682300000000, 0.0007764500000000 ] - [ 0.0333020000000000, 0.0396792500000000, -0.0051375500000000 ] - [ 0.0018028700000000, 0.0000908500000000, 0.0005925100000000 ] - [ 0.0001538100000000, 0.0007326400000000, -0.0008336400000000 ] - [ 0.0002211700000000, 0.0004604400000000, 0.0006391600000000 ] - [ -0.0025935700000000, 0.0025335600000000, 0.0011070500000000 ] - [ 0.0013844500000000, 0.0014577000000000, 0.0004038200000000 ] - [ -0.0000027500000000, -0.0002906800000000, -0.0012806000000000 ] - [ -0.0000676700000000, 0.0000939600000000, 0.0024523100000000 ] - [ 0.0019804600000000, -0.0016933900000000, 0.0018096200000000 ] - [ 0.0032920100000000, -0.0006753600000000, 0.0025057500000000 ] - [ -0.0005757000000000, 0.0001534600000000, -0.0018177900000000 ] - [ -0.0000903100000000, 0.0002173800000000, -0.0001952000000000 ] - [ 0.0005646000000000, 0.0002872900000000, -0.0004251800000000 ] - [ 0.0007679300000000, 0.0007010300000000, 0.0010252400000000 ] - [ 0.1513327300000000, 0.0788482100000000, -0.1002399500000000 ] - [ -0.0038763100000000, 0.0005684600000000, -0.0002558600000000 ] - [ -0.0007436600000000, -0.0001877100000000, 0.0029018000000000 ] - [ -0.0000176100000000, 0.0001145600000000, -0.0012905900000000 ] - [ -0.0014015100000000, 0.0001975300000000, 0.0026926800000000 ] - [ -0.0007587000000000, -0.0003524000000000, -0.0016587100000000 ] - [ -0.0026745700000000, 0.0164033200000000, -0.0033554300000000 ] - [ -0.0054446100000000, 0.0004551000000000, -0.0004951100000000 ] - [ 0.0084348200000000, -0.0059899900000000, 0.0084273500000000 ] - [ -0.0018900400000000, 0.0001135100000000, -0.0001844000000000 ] - [ -0.0024955900000000, 0.0014249200000000, 0.0043585100000000 ] - [ 0.0002235600000000, -0.0011217600000000, -0.0017306600000000 ] - [ 0.0028263300000000, -0.0014424800000000, 0.0054641100000000 ] - [ -0.0002452000000000, 0.0006875100000000, -0.0020296200000000 ] - [ -0.0048325700000000, 0.0004707200000000, 0.0004804300000000 ] - [ -0.0028923500000000, 0.0047945000000000, -0.0160575300000000 ] - [ 0.0006462900000000, -0.0003341500000000, 0.0005374400000000 ] - [ -0.0003718000000000, -0.0003661600000000, 0.0021384300000000 ] - [ -0.0126574200000000, 0.0006358000000000, 0.0011975800000000 ] - [ -0.0038820900000000, -0.0005860700000000, -0.0021491300000000 ] - [ 0.0043108600000000, 0.0001738600000000, -0.0055950300000000 ] - [ -0.0012345500000000, -0.0000675500000000, 0.0014428300000000 ] - [ 0.0136542800000000, -0.0078692800000000, -0.0068602000000000 ] - [ -0.0029986000000000, 0.0001651800000000, 0.0000929100000000 ] - [ -0.0027146700000000, 0.0008218900000000, 0.0052785300000000 ] - [ 0.0022253100000000, 0.0026314900000000, -0.0036745900000000 ] - [ 0.0370520500000000, 0.0180047300000000, -0.0098584100000000 ] - [ -0.0047548100000000, -0.0002092900000000, -0.0006072200000000 ] - [ 0.0025958100000000, -0.0015541700000000, 0.0042948800000000 ] - [ -0.0012737000000000, -0.0005104900000000, -0.0010293200000000 ] - [ -0.0089444000000000, 0.0169383700000000, 0.0085901500000000 ] - [ -0.0041084100000000, -0.0002879700000000, -0.0028409700000000 ] - [ -0.0009111000000000, -0.0002681400000000, 0.0040445200000000 ] - [ -0.0004435000000000, 0.0002589600000000, -0.0026221900000000 ] - [ 0.0120820100000000, -0.0009263700000000, -0.0012104800000000 ] - [ -0.0037945000000000, -0.0007297900000000, 0.0013069200000000 ] - [ -0.0014544300000000, -0.0001305100000000, 0.0033867800000000 ] - [ 0.0016222500000000, -0.0003857600000000, -0.0028464300000000 ] - [ -0.0044200600000000, -0.0176019800000000, -0.0055607000000000 ] - [ -0.0044956000000000, -0.0003897100000000, -0.0017997800000000 ]- atom: 31 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ 0.0000895100000000, -0.0000600900000000, -0.0004923200000000 ] - [ -0.0008261000000000, -0.0000487600000000, 0.0003472800000000 ] - [ -0.0005359000000000, 0.0008733600000000, 0.0007771600000000 ] - [ 0.0008463900000000, 0.0000267200000000, -0.0002746000000000 ] - [ 0.0006709600000000, 0.0000480400000000, -0.0007567400000000 ] - [ -0.0006369700000000, 0.0006072500000000, 0.0010114000000000 ] - [ 0.0032908400000000, -0.0009105700000000, 0.0035216800000000 ] - [ 0.0014878500000000, -0.0003766200000000, -0.0002832400000000 ] - [ 0.0017569800000000, -0.0025878800000000, 0.0011023600000000 ] - [ -0.0000020000000000, -0.0003257400000000, -0.0002332500000000 ] - [ 0.0118081300000000, -0.0128523700000000, -0.0086180400000000 ] - [ -0.0010099200000000, 0.0015193200000000, -0.0000583000000000 ] - [ -0.0010900800000000, 0.0001062100000000, 0.0019991000000000 ] - [ -0.0006466200000000, 0.0006340400000000, 0.0001992200000000 ] - [ -0.0240184500000000, 0.0061107800000000, 0.0344077200000000 ] - [ -0.0021527000000000, 0.0004791900000000, 0.0010097700000000 ] - [ -0.0003762400000000, -0.0014737700000000, 0.0007632600000000 ] - [ 0.0007526500000000, -0.0002409200000000, -0.0012822800000000 ] - [ 0.0062298400000000, -0.0068399800000000, 0.0130344400000000 ] - [ -0.0009935900000000, 0.0003669500000000, -0.0014261200000000 ] - [ 0.0016128300000000, 0.0032284500000000, 0.0033247400000000 ] - [ -0.0017349400000000, -0.0006825600000000, -0.0010934500000000 ] - [ 0.0015946200000000, -0.0004986500000000, 0.0059846500000000 ] - [ -0.0008387200000000, 0.0005902800000000, -0.0011591500000000 ] - [ 0.0029733300000000, -0.0003720100000000, -0.0005140800000000 ] - [ -0.0017833500000000, 0.0005924700000000, 0.0005150200000000 ] - [ -0.0051537400000000, -0.0008696800000000, 0.0010565100000000 ] - [ -0.0035769300000000, -0.0000975000000000, -0.0021312400000000 ] - [ 0.0011223300000000, -0.0004769900000000, 0.0000743000000000 ] - [ 0.0005681900000000, -0.0004833100000000, -0.0001541300000000 ] - [ 0.2486257900000000, 0.1533873300000000, -0.1505074200000000 ] - [ -0.0018998300000000, -0.0006864100000000, 0.0005811900000000 ] - [ -0.0006561300000000, 0.0002710400000000, 0.0011235500000000 ] - [ -0.0000839700000000, -0.0000475600000000, -0.0005447900000000 ] - [ 0.0056651500000000, 0.0031076700000000, -0.0026477800000000 ] - [ -0.0017508900000000, -0.0008547900000000, 0.0002008700000000 ] - [ -0.0011539800000000, 0.0006338800000000, 0.0013679800000000 ] - [ 0.0001753900000000, -0.0002763800000000, -0.0005381100000000 ] - [ -0.0158707400000000, 0.0116973400000000, 0.0046869900000000 ] - [ -0.0021727500000000, 0.0009806100000000, 0.0001315600000000 ] - [ 0.0003565800000000, 0.0008026800000000, 0.0023676000000000 ] - [ -0.0004783000000000, -0.0005435800000000, -0.0018948800000000 ] - [ -0.0193226500000000, -0.0073816800000000, 0.0012942600000000 ] - [ -0.0024009300000000, -0.0004592200000000, -0.0005269700000000 ] - [ -0.0010536600000000, 0.0028479800000000, 0.0011567600000000 ] - [ 0.0005879300000000, -0.0008507400000000, -0.0007865000000000 ] - [ -0.0005344300000000, -0.0008238800000000, 0.0017016400000000 ] - [ -0.0006122300000000, 0.0003340400000000, -0.0002464700000000 ] - [ -0.0010569300000000, 0.0005496100000000, 0.0026600100000000 ] - [ 0.0004775200000000, 0.0002219100000000, -0.0022898100000000 ] - [ -0.0017010700000000, -0.0011985000000000, 0.0038880200000000 ] - [ 0.0001641900000000, 0.0001640900000000, -0.0004642000000000 ] - [ 0.0001737400000000, -0.0003832900000000, 0.0046411600000000 ] - [ 0.0001861200000000, -0.0002541300000000, 0.0003132000000000 ] - [ 0.0021400100000000, 0.0033627300000000, -0.0063637200000000 ] - [ -0.0018799000000000, -0.0004407800000000, 0.0004952800000000 ] - [ -0.0007023700000000, 0.0001524000000000, 0.0004943000000000 ] - [ 0.0005922000000000, -0.0000084100000000, -0.0031737000000000 ] - [ -0.0012667700000000, -0.0035803700000000, -0.0014923300000000 ] - [ -0.0037206900000000, -0.0033305700000000, 0.0007416000000000 ] - [ -0.0003012000000000, 0.0001724600000000, 0.0009799500000000 ] - [ 0.0004464200000000, -0.0001643900000000, 0.0000975800000000 ] - [ 0.0018879800000000, 0.0045481900000000, -0.0026713600000000 ] - [ -0.0011811900000000, -0.0003630500000000, 0.0000906100000000 ] - [ -0.0006491400000000, -0.0000415100000000, 0.0006802900000000 ] - [ -0.0008311100000000, -0.0006036100000000, -0.0011753800000000 ] - [ 0.0067556100000000, -0.0057352000000000, 0.0020220200000000 ] - [ -0.0016938700000000, 0.0004500300000000, -0.0005031200000000 ] - [ -0.0103852900000000, -0.0016454700000000, -0.0173773100000000 ] - [ -0.0013217400000000, 0.0003491000000000, -0.0001237800000000 ] - [ 0.0147233500000000, -0.0056310700000000, 0.0058409600000000 ] - [ -0.0023396500000000, 0.0011636400000000, -0.0011235800000000 ] - [ 0.0044379500000000, 0.0005177800000000, 0.0009248900000000 ] - [ -0.0017201900000000, -0.0001058800000000, 0.0005262600000000 ] - [ -0.0030327500000000, 0.0037054200000000, -0.0010447600000000 ] - [ -0.0046342900000000, 0.0004259800000000, -0.0015412700000000 ] - [ 0.0022398900000000, 0.0002696900000000, 0.0004798600000000 ] - [ 0.0001610800000000, 0.0000782900000000, -0.0001909300000000 ] - [ -0.0027554800000000, 0.0007485900000000, 0.0007495200000000 ] - [ 0.0011086300000000, -0.0009758800000000, -0.0001686100000000 ] - [ -0.0029234100000000, 0.0012941500000000, 0.0033098300000000 ] - [ -0.0000225100000000, 0.0001057400000000, -0.0029578900000000 ] - [ 0.0010170300000000, 0.0000067400000000, -0.0046356700000000 ] - [ -0.0013068000000000, -0.0005210100000000, 0.0013732400000000 ] - [ -0.0019095400000000, 0.0007227200000000, 0.0020013100000000 ] - [ 0.0007413700000000, -0.0012072500000000, -0.0051765300000000 ] - [ 0.0011515300000000, -0.0001268100000000, -0.0002403700000000 ] - [ -0.0002227700000000, -0.0004831000000000, 0.0012294700000000 ] - [ -0.0002484400000000, -0.0009684800000000, 0.0010019800000000 ] - [ -0.0001919100000000, -0.0004575400000000, -0.0008007800000000 ] - [ -0.0326835400000000, -0.0405142400000000, 0.0050813300000000 ] - [ -0.0016194600000000, -0.0015195800000000, -0.0005710000000000 ] - [ 0.0000354900000000, 0.0006950500000000, 0.0008608300000000 ] - [ -0.0000293600000000, 0.0009664100000000, -0.0006141000000000 ] - [ 0.0024079500000000, -0.0011478900000000, -0.0011390300000000 ] - [ -0.0015803000000000, -0.0000350700000000, -0.0004301100000000 ] - [ 0.0001530600000000, 0.0000041500000000, 0.0020619000000000 ] - [ 0.0002164400000000, -0.0003856700000000, -0.0016897100000000 ] - [ -0.0021421100000000, 0.0014131300000000, -0.0025875200000000 ] - [ -0.0034741300000000, 0.0003927300000000, -0.0033062500000000 ] - [ 0.0004276300000000, 0.0001331800000000, 0.0010509000000000 ] - [ -0.0000582900000000, 0.0000693300000000, -0.0005587300000000 ] - [ 0.0002814200000000, 0.0004739100000000, 0.0012911200000000 ] - [ 0.0000807700000000, 0.0000612100000000, -0.0001625600000000 ] - [ -0.1481350400000000, -0.0735373200000000, 0.0939358700000000 ] - [ 0.0031641400000000, -0.0000985500000000, -0.0000867700000000 ] - [ 0.0014745200000000, 0.0006673300000000, -0.0025727500000000 ] - [ 0.0007421300000000, 0.0003586300000000, 0.0016347000000000 ] - [ 0.0006792200000000, -0.0006786600000000, -0.0030506800000000 ] - [ 0.0000311900000000, -0.0001196100000000, 0.0013144000000000 ] - [ 0.0028434500000000, -0.0164144200000000, 0.0027776100000000 ] - [ 0.0056745200000000, -0.0003135700000000, -0.0001743700000000 ] - [ -0.0087234100000000, 0.0061873900000000, -0.0078176300000000 ] - [ 0.0016784800000000, 0.0000314600000000, 0.0008467700000000 ] - [ 0.0022852400000000, -0.0015707900000000, -0.0036864200000000 ] - [ -0.0004798400000000, 0.0009917800000000, 0.0024151500000000 ] - [ -0.0026009300000000, 0.0012923700000000, -0.0061575600000000 ] - [ 0.0004663100000000, -0.0008366900000000, 0.0013707200000000 ] - [ 0.0055558300000000, -0.0002844700000000, -0.0018183600000000 ] - [ 0.0035915900000000, -0.0046873700000000, 0.0148452000000000 ] - [ -0.0013403200000000, 0.0005469600000000, 0.0007677900000000 ] - [ -0.0003342200000000, 0.0005565100000000, -0.0008052300000000 ] - [ 0.0120587600000000, -0.0008202500000000, 0.0001364500000000 ] - [ 0.0031920500000000, 0.0003893900000000, 0.0034982300000000 ] - [ -0.0036038700000000, -0.0003452600000000, 0.0042779100000000 ] - [ 0.0019462900000000, -0.0001227700000000, -0.0027929400000000 ] - [ -0.0129299700000000, 0.0074301600000000, 0.0072446600000000 ] - [ 0.0037374300000000, -0.0006388600000000, 0.0002529100000000 ] - [ 0.0029725200000000, 0.0000896000000000, -0.0043023800000000 ] - [ -0.0019949300000000, -0.0017342300000000, 0.0047000500000000 ] - [ -0.0394014400000000, -0.0206540500000000, 0.0100252500000000 ] - [ 0.0042784700000000, -0.0005554700000000, 0.0000598500000000 ] - [ -0.0021218300000000, 0.0008106800000000, -0.0037508800000000 ] - [ 0.0017697300000000, -0.0002547100000000, 0.0015651300000000 ] - [ 0.0094782100000000, -0.0162151200000000, -0.0080696700000000 ] - [ 0.0046158300000000, 0.0010572100000000, 0.0034183000000000 ] - [ 0.0004385300000000, 0.0010344000000000, -0.0046157400000000 ] - [ -0.0000538900000000, 0.0005056200000000, 0.0020828800000000 ] - [ -0.0120932000000000, 0.0000978900000000, 0.0021552300000000 ] - [ 0.0040443800000000, -0.0001845100000000, -0.0002945900000000 ] - [ 0.0012226900000000, -0.0007867800000000, -0.0044182900000000 ] - [ -0.0018702300000000, -0.0005263000000000, 0.0018368700000000 ] - [ 0.0041979200000000, 0.0185028600000000, 0.0045636100000000 ] - [ 0.0042739900000000, 0.0013159400000000, 0.0008043300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001650800000000, 0.0001161000000000, 0.0001914100000000 ] - [ 0.0002786100000000, 0.0004806600000000, 0.0004252700000000 ] - [ 0.0002113700000000, -0.0008881800000000, -0.0006326900000000 ] - [ -0.0001658900000000, -0.0001008700000000, 0.0001749800000000 ] - [ -0.0002637700000000, -0.0001368000000000, 0.0004849900000000 ] - [ 0.0006811100000000, -0.0007586500000000, -0.0004180300000000 ] - [ -0.0014803100000000, 0.0020291900000000, -0.0021182800000000 ] - [ -0.0006050500000000, 0.0004619200000000, 0.0000475100000000 ] - [ 0.0003049200000000, 0.0032012700000000, -0.0013041300000000 ] - [ 0.0009852000000000, 0.0004065300000000, -0.0002563700000000 ] - [ -0.0040552300000000, 0.0235862000000000, 0.0082556700000000 ] - [ 0.0012568400000000, 0.0000912400000000, -0.0009395000000000 ] - [ -0.0004737200000000, 0.0004588300000000, 0.0003259700000000 ] - [ -0.0006912200000000, 0.0002944700000000, 0.0008411500000000 ] - [ -0.0023664300000000, -0.0103846100000000, 0.0023851300000000 ] - [ 0.0000908300000000, -0.0010046800000000, 0.0005534000000000 ] - [ 0.0012945500000000, 0.0002609300000000, -0.0014855800000000 ] - [ 0.0004688800000000, -0.0004680800000000, -0.0005181000000000 ] - [ -0.0026059100000000, 0.0059327500000000, -0.0120659300000000 ] - [ 0.0003113400000000, -0.0001027500000000, -0.0002651200000000 ] - [ -0.0009154100000000, -0.0007360700000000, 0.0011945200000000 ] - [ 0.0011952400000000, 0.0003208400000000, 0.0012698800000000 ] - [ -0.0000931200000000, -0.0000865600000000, -0.0003171800000000 ] - [ 0.0003817000000000, -0.0002578000000000, 0.0011740000000000 ] - [ -0.0020604400000000, 0.0008807200000000, 0.0011967400000000 ] - [ 0.0002634400000000, 0.0001050500000000, -0.0000252500000000 ] - [ 0.0002179300000000, -0.0004217800000000, -0.0000677400000000 ] - [ 0.0006485900000000, -0.0009727400000000, 0.0018291700000000 ] - [ 0.0010846000000000, -0.0000921900000000, -0.0007030300000000 ] - [ 0.0002067500000000, -0.0001106000000000, -0.0001982000000000 ] - [ -0.1561074600000000, -0.1827751200000000, 0.1258361600000000 ] - [ 0.0007904500000000, 0.0003348500000000, -0.0001771700000000 ] - [ 0.0001618800000000, 0.0004080300000000, -0.0005437800000000 ] - [ -0.0001569700000000, 0.0003109900000000, 0.0001307200000000 ] - [ -0.0031870700000000, 0.0002210800000000, 0.0023646800000000 ] - [ 0.0007406100000000, 0.0002958900000000, -0.0001094900000000 ] - [ 0.0007382900000000, -0.0006488900000000, -0.0005732100000000 ] - [ -0.0001660300000000, -0.0000918900000000, 0.0002112200000000 ] - [ 0.0024129700000000, -0.0102153600000000, 0.0003570200000000 ] - [ 0.0003599200000000, -0.0008817200000000, 0.0001215000000000 ] - [ 0.0000557100000000, -0.0000436300000000, -0.0019319700000000 ] - [ -0.0004038000000000, 0.0001430500000000, -0.0002269900000000 ] - [ 0.0174797400000000, 0.0069402500000000, -0.0011529300000000 ] - [ 0.0012302500000000, 0.0007560200000000, -0.0002459200000000 ] - [ 0.0005927300000000, 0.0003053500000000, -0.0006270800000000 ] - [ 0.0000050400000000, 0.0011305300000000, 0.0002317500000000 ] - [ -0.0003309200000000, -0.0003207200000000, -0.0005822300000000 ] - [ -0.0007752400000000, -0.0004923600000000, 0.0003408200000000 ] - [ 0.0003876500000000, -0.0001617900000000, -0.0021766000000000 ] - [ -0.0005409100000000, 0.0000231200000000, -0.0003180700000000 ] - [ 0.0017389600000000, 0.0017888000000000, -0.0018714600000000 ] - [ -0.0004110100000000, 0.0003777000000000, 0.0017968400000000 ] - [ 0.0003912700000000, 0.0000046100000000, -0.0027513600000000 ] - [ 0.0003318900000000, -0.0001641900000000, 0.0006637600000000 ] - [ -0.0039713900000000, -0.0014561600000000, 0.0041084300000000 ] - [ 0.0008735300000000, -0.0001170900000000, -0.0016721200000000 ] - [ 0.0005560900000000, -0.0009018500000000, -0.0006952600000000 ] - [ 0.0000459400000000, -0.0015710000000000, 0.0011518300000000 ] - [ 0.0007011300000000, 0.0028061400000000, 0.0012628900000000 ] - [ 0.0029830200000000, 0.0023188100000000, 0.0001192700000000 ] - [ -0.0001195700000000, 0.0007768500000000, -0.0000199800000000 ] - [ -0.0003388800000000, 0.0015249000000000, 0.0002123600000000 ] - [ -0.0023174500000000, -0.0044577200000000, 0.0003245300000000 ] - [ 0.0004105200000000, 0.0003221500000000, -0.0005783600000000 ] - [ -0.0003266900000000, -0.0007212600000000, -0.0009586900000000 ] - [ -0.0007177900000000, -0.0006355600000000, -0.0004089400000000 ] - [ -0.0046860300000000, 0.0059728900000000, -0.0007805000000000 ] - [ 0.0012174100000000, -0.0005810000000000, 0.0008373900000000 ] - [ 0.0063418400000000, -0.0024183600000000, 0.0118312000000000 ] - [ 0.0003928100000000, 0.0000381500000000, 0.0002671700000000 ] - [ -0.0066166800000000, 0.0252944400000000, -0.0362044000000000 ] - [ 0.0003790200000000, 0.0000057300000000, -0.0001834600000000 ] - [ -0.0037319600000000, 0.0001749200000000, -0.0009465000000000 ] - [ 0.0005636000000000, 0.0003766100000000, 0.0001080500000000 ] - [ 0.0004194200000000, -0.0011017400000000, 0.0005248100000000 ] - [ 0.0041602300000000, 0.0000289900000000, 0.0007266800000000 ] - [ 0.0000495000000000, -0.0005709000000000, -0.0006055900000000 ] - [ 0.0001818200000000, -0.0004427000000000, -0.0004419400000000 ] - [ 0.0008419300000000, -0.0002907800000000, -0.0000939200000000 ] - [ -0.0034474100000000, 0.0019989800000000, -0.0000583700000000 ] - [ 0.0026759100000000, -0.0011605700000000, -0.0020312000000000 ] - [ -0.0001467400000000, 0.0002043800000000, 0.0009081800000000 ] - [ -0.0007962200000000, 0.0004450900000000, 0.0027969900000000 ] - [ 0.0001024700000000, 0.0004765300000000, -0.0007170400000000 ] - [ 0.0001611200000000, -0.0003950400000000, -0.0010198400000000 ] - [ -0.0007209600000000, 0.0000767700000000, 0.0025612000000000 ] - [ 0.0001874100000000, 0.0014718600000000, -0.0027638100000000 ] - [ 0.0005267800000000, 0.0001036000000000, -0.0004400900000000 ] - [ 0.0000379300000000, -0.0005080700000000, -0.0005656200000000 ] - [ -0.0004529000000000, -0.0005051900000000, 0.0000773400000000 ] - [ 0.0333527200000000, 0.0203109600000000, -0.0038936500000000 ] - [ 0.0006972600000000, -0.0004361100000000, 0.0002274300000000 ] - [ 0.0002859700000000, 0.0004187100000000, -0.0002818500000000 ] - [ 0.0000147500000000, 0.0005088300000000, 0.0000790000000000 ] - [ 0.0002408100000000, 0.0078016100000000, 0.0035506500000000 ] - [ 0.0005437300000000, 0.0010890400000000, 0.0001387200000000 ] - [ 0.0001145200000000, -0.0002738000000000, -0.0004669800000000 ] - [ 0.0001582500000000, -0.0001202700000000, 0.0015569400000000 ] - [ -0.0002123500000000, -0.0002688300000000, -0.0001990500000000 ] - [ 0.0025300500000000, -0.0006951400000000, 0.0020708800000000 ] - [ -0.0002901400000000, 0.0003403000000000, -0.0008155000000000 ] - [ -0.0001471000000000, 0.0003419700000000, -0.0012957700000000 ] - [ 0.0007115700000000, 0.0005503200000000, 0.0000961600000000 ] - [ 0.0003998700000000, 0.0005242600000000, 0.0005398000000000 ] - [ 0.0810045600000000, 0.1113417700000000, -0.0807007400000000 ] - [ -0.0018055100000000, 0.0006048200000000, -0.0001278600000000 ] - [ -0.0003710800000000, -0.0004689000000000, 0.0015159200000000 ] - [ 0.0006282500000000, -0.0001627600000000, -0.0001307800000000 ] - [ -0.0009180800000000, 0.0005274900000000, 0.0009343800000000 ] - [ -0.0001503900000000, 0.0000587200000000, -0.0004569500000000 ] - [ 0.0031202000000000, 0.0071322400000000, -0.0060977900000000 ] - [ -0.0036999900000000, 0.0007998200000000, -0.0000713700000000 ] - [ 0.0057651600000000, -0.0062168300000000, 0.0080743900000000 ] - [ -0.0011925300000000, -0.0001675700000000, 0.0003821200000000 ] - [ -0.0016077300000000, -0.0011361200000000, 0.0032109700000000 ] - [ 0.0022773600000000, -0.0011708000000000, -0.0008176900000000 ] - [ 0.0001454000000000, 0.0007074400000000, 0.0013935500000000 ] - [ 0.0002671700000000, 0.0005989900000000, -0.0007814100000000 ] - [ -0.0008403600000000, 0.0005400800000000, -0.0000113600000000 ] - [ -0.0005651300000000, 0.0056126000000000, -0.0103195600000000 ] - [ -0.0009623600000000, -0.0022969600000000, 0.0026195200000000 ] - [ -0.0000943000000000, -0.0004361500000000, 0.0012558600000000 ] - [ -0.0110818900000000, 0.0010348400000000, 0.0008235700000000 ] - [ -0.0006626000000000, -0.0018074300000000, 0.0007519400000000 ] - [ 0.0013860900000000, 0.0007681900000000, -0.0039632100000000 ] - [ -0.0005739500000000, 0.0001289600000000, 0.0003966400000000 ] - [ 0.0106307500000000, -0.0160785700000000, -0.0108565700000000 ] - [ -0.0010687500000000, -0.0002331300000000, 0.0001476600000000 ] - [ -0.0015613000000000, 0.0009208100000000, 0.0030754800000000 ] - [ 0.0023155500000000, 0.0025393500000000, -0.0001761500000000 ] - [ 0.0180290100000000, 0.0277070400000000, -0.0091562300000000 ] - [ -0.0019455100000000, 0.0000445500000000, -0.0000516900000000 ] - [ 0.0010940500000000, -0.0029068200000000, 0.0005508600000000 ] - [ -0.0003848300000000, -0.0004847500000000, 0.0001678600000000 ] - [ 0.0006644200000000, 0.0036146900000000, 0.0008067200000000 ] - [ -0.0015477400000000, -0.0000337200000000, -0.0020356800000000 ] - [ -0.0014992900000000, 0.0003474900000000, 0.0021057000000000 ] - [ 0.0001372800000000, 0.0003780000000000, -0.0011428800000000 ] - [ 0.0197703900000000, -0.0098827300000000, 0.0064957600000000 ] - [ -0.0016850700000000, -0.0004235100000000, 0.0012599200000000 ] - [ -0.0010562100000000, -0.0001631400000000, 0.0020645700000000 ] - [ 0.0006199200000000, -0.0007301700000000, -0.0012977800000000 ] - [ -0.0043374500000000, -0.0153935600000000, -0.0039084600000000 ] - [ -0.0013404100000000, -0.0012378800000000, -0.0016695400000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000521200000000, -0.0000933800000000, -0.0002116200000000 ] - [ -0.0005000800000000, -0.0004542900000000, -0.0004415900000000 ] - [ 0.0000071800000000, 0.0009088700000000, 0.0006564400000000 ] - [ 0.0003885700000000, 0.0001226600000000, -0.0001583400000000 ] - [ 0.0004846800000000, 0.0001143700000000, -0.0004704900000000 ] - [ -0.0004666200000000, 0.0007372800000000, 0.0004379700000000 ] - [ 0.0012806900000000, -0.0020442900000000, 0.0021116900000000 ] - [ 0.0003880200000000, -0.0004867100000000, -0.0000659400000000 ] - [ 0.0009024400000000, -0.0031758300000000, 0.0009630500000000 ] - [ 0.0002162800000000, -0.0003615200000000, -0.0000945600000000 ] - [ 0.0052974400000000, -0.0230096900000000, -0.0097199100000000 ] - [ -0.0000615700000000, 0.0008783000000000, -0.0003998200000000 ] - [ -0.0007311900000000, 0.0005033000000000, 0.0010206500000000 ] - [ -0.0005111100000000, 0.0006703300000000, 0.0004995600000000 ] - [ 0.0008860900000000, 0.0094695700000000, -0.0007935000000000 ] - [ -0.0012983400000000, 0.0000433300000000, 0.0007891500000000 ] - [ -0.0000979700000000, -0.0012309000000000, 0.0001508800000000 ] - [ 0.0007330400000000, -0.0004959600000000, -0.0008257600000000 ] - [ 0.0025048100000000, -0.0059926100000000, 0.0111802300000000 ] - [ -0.0004416400000000, 0.0000978400000000, -0.0007441600000000 ] - [ 0.0010435400000000, 0.0007339100000000, -0.0001786700000000 ] - [ -0.0010710800000000, -0.0003285300000000, -0.0002672800000000 ] - [ 0.0002294400000000, 0.0000916200000000, 0.0013619000000000 ] - [ -0.0002579300000000, 0.0002664200000000, -0.0001738800000000 ] - [ 0.0010614200000000, -0.0002474300000000, -0.0008108700000000 ] - [ -0.0012745400000000, 0.0005362400000000, 0.0004158000000000 ] - [ -0.0012645100000000, -0.0002234600000000, 0.0004622200000000 ] - [ -0.0016611800000000, 0.0003314100000000, -0.0014459900000000 ] - [ -0.0000689600000000, -0.0005495000000000, 0.0003134900000000 ] - [ 0.0008013300000000, -0.0005309300000000, -0.0001906200000000 ] - [ 0.1538917800000000, 0.1826667800000000, -0.1224057300000000 ] - [ -0.0007677000000000, -0.0001500300000000, 0.0002951300000000 ] - [ -0.0001958700000000, -0.0002194800000000, 0.0004336300000000 ] - [ 0.0001266600000000, -0.0001226200000000, -0.0002481400000000 ] - [ 0.0032164600000000, -0.0003627700000000, -0.0025169900000000 ] - [ -0.0007775100000000, -0.0004864500000000, -0.0000057500000000 ] - [ -0.0007134000000000, 0.0004632600000000, 0.0006949000000000 ] - [ 0.0001972500000000, -0.0000982700000000, -0.0000975400000000 ] - [ -0.0035734300000000, 0.0103006600000000, -0.0000224800000000 ] - [ -0.0015658500000000, 0.0009258200000000, 0.0002287700000000 ] - [ -0.0001816300000000, 0.0000530100000000, 0.0009333600000000 ] - [ 0.0002727200000000, -0.0001396500000000, -0.0007862900000000 ] - [ -0.0166052600000000, -0.0063806900000000, 0.0007770300000000 ] - [ -0.0002339600000000, -0.0001158000000000, -0.0001473900000000 ] - [ 0.0005964800000000, -0.0003174800000000, 0.0002804000000000 ] - [ 0.0011956400000000, -0.0011746000000000, -0.0005852000000000 ] - [ -0.0008724600000000, 0.0002672000000000, 0.0009435500000000 ] - [ -0.0004282000000000, 0.0004485000000000, 0.0000086300000000 ] - [ -0.0007928300000000, 0.0005842500000000, 0.0007598100000000 ] - [ 0.0001431400000000, 0.0003982000000000, -0.0011244900000000 ] - [ -0.0013353300000000, -0.0013650400000000, 0.0032981500000000 ] - [ 0.0008083600000000, 0.0000420400000000, -0.0003606400000000 ] - [ 0.0000087100000000, -0.0004256800000000, 0.0042183700000000 ] - [ 0.0000682300000000, -0.0002559600000000, 0.0007735300000000 ] - [ 0.0035714100000000, 0.0010333300000000, -0.0055466100000000 ] - [ -0.0012770200000000, -0.0003046300000000, 0.0002355400000000 ] - [ -0.0003560200000000, 0.0001679700000000, 0.0000217000000000 ] - [ 0.0001550400000000, 0.0008319900000000, -0.0018421200000000 ] - [ -0.0008988900000000, -0.0035331300000000, -0.0005913300000000 ] - [ -0.0032067800000000, -0.0030715400000000, 0.0005604900000000 ] - [ -0.0000841000000000, -0.0000418000000000, 0.0007006900000000 ] - [ 0.0001383500000000, -0.0007852900000000, 0.0004619900000000 ] - [ 0.0025249300000000, 0.0051940100000000, -0.0010070900000000 ] - [ -0.0002167300000000, 0.0004074300000000, -0.0000974000000000 ] - [ -0.0005221400000000, -0.0000394300000000, 0.0001007800000000 ] - [ -0.0001308100000000, -0.0001275100000000, -0.0004554600000000 ] - [ 0.0055772000000000, -0.0067646500000000, 0.0016413400000000 ] - [ -0.0003774400000000, -0.0001786800000000, 0.0000215900000000 ] - [ -0.0061927300000000, 0.0027548400000000, -0.0111214700000000 ] - [ -0.0002515300000000, 0.0002514700000000, 0.0004971300000000 ] - [ 0.0057953200000000, -0.0243630300000000, 0.0348522000000000 ] - [ -0.0012339000000000, 0.0007599000000000, -0.0006817000000000 ] - [ 0.0030984500000000, 0.0001319900000000, 0.0015100600000000 ] - [ -0.0012318400000000, -0.0000741700000000, 0.0004514000000000 ] - [ 0.0002404700000000, 0.0014040400000000, -0.0010814300000000 ] - [ -0.0034958900000000, 0.0002704800000000, -0.0012833200000000 ] - [ 0.0006262600000000, 0.0002703400000000, 0.0000542200000000 ] - [ 0.0004810100000000, 0.0001409200000000, -0.0001148300000000 ] - [ -0.0015146900000000, -0.0000060500000000, 0.0006506300000000 ] - [ 0.0027777300000000, -0.0022994600000000, 0.0006112100000000 ] - [ -0.0020560300000000, 0.0013450000000000, 0.0022353600000000 ] - [ 0.0007820400000000, -0.0000287800000000, -0.0007373700000000 ] - [ 0.0001603300000000, -0.0002774800000000, -0.0029872200000000 ] - [ -0.0007439800000000, -0.0003077800000000, 0.0005365100000000 ] - [ -0.0008101900000000, 0.0002281500000000, 0.0008455600000000 ] - [ 0.0000862300000000, -0.0002521800000000, -0.0027593000000000 ] - [ 0.0004560000000000, -0.0016396000000000, 0.0029314500000000 ] - [ 0.0001093000000000, -0.0002773000000000, 0.0006314800000000 ] - [ -0.0002295900000000, -0.0009172000000000, 0.0005464700000000 ] - [ 0.0002630800000000, -0.0009187100000000, -0.0001035200000000 ] - [ -0.0327507000000000, -0.0216931800000000, 0.0038852300000000 ] - [ -0.0005127300000000, -0.0009926300000000, -0.0002047600000000 ] - [ -0.0000976000000000, 0.0010080000000000, 0.0003090100000000 ] - [ 0.0001759000000000, 0.0009164100000000, -0.0000564600000000 ] - [ -0.0004219800000000, -0.0064053700000000, -0.0036103400000000 ] - [ -0.0007396600000000, 0.0003333400000000, -0.0001645900000000 ] - [ 0.0000369600000000, -0.0000142700000000, 0.0012447000000000 ] - [ -0.0000078600000000, -0.0001708200000000, -0.0007924700000000 ] - [ 0.0000443300000000, -0.0000017500000000, -0.0005980600000000 ] - [ -0.0026996300000000, 0.0004122000000000, -0.0028582500000000 ] - [ 0.0001413500000000, -0.0000525900000000, 0.0000515500000000 ] - [ -0.0000031300000000, -0.0000532500000000, 0.0005215300000000 ] - [ 0.0001342000000000, 0.0002125300000000, 0.0007702100000000 ] - [ 0.0004482400000000, 0.0002388900000000, 0.0003215200000000 ] - [ -0.0782280500000000, -0.1097258700000000, 0.0769317600000000 ] - [ 0.0010923100000000, -0.0001339200000000, -0.0002162200000000 ] - [ 0.0011042800000000, 0.0009431200000000, -0.0011851900000000 ] - [ 0.0000982100000000, 0.0006342300000000, 0.0004785100000000 ] - [ 0.0001983700000000, -0.0010024800000000, -0.0012892700000000 ] - [ -0.0005749000000000, -0.0005284900000000, 0.0001170300000000 ] - [ -0.0028949700000000, -0.0069794900000000, 0.0054285300000000 ] - [ 0.0039287500000000, -0.0006543400000000, -0.0005931900000000 ] - [ -0.0060449000000000, 0.0064016400000000, -0.0074654700000000 ] - [ 0.0009757500000000, 0.0003088300000000, 0.0002863500000000 ] - [ 0.0013921300000000, 0.0009737500000000, -0.0025382700000000 ] - [ -0.0024904500000000, 0.0010300800000000, 0.0014928900000000 ] - [ 0.0000591500000000, -0.0008372000000000, -0.0021014000000000 ] - [ -0.0000433600000000, -0.0007442800000000, 0.0001191100000000 ] - [ 0.0015818400000000, -0.0003532800000000, -0.0013278400000000 ] - [ 0.0012629600000000, -0.0054281700000000, 0.0090035100000000 ] - [ 0.0002491400000000, 0.0024762300000000, -0.0012738100000000 ] - [ -0.0006075800000000, 0.0006256200000000, 0.0000727500000000 ] - [ 0.0104500000000000, -0.0012278300000000, 0.0005098900000000 ] - [ -0.0000250100000000, 0.0016055400000000, 0.0006133900000000 ] - [ -0.0006914600000000, -0.0009412800000000, 0.0026395900000000 ] - [ 0.0012799300000000, -0.0003153800000000, -0.0017409500000000 ] - [ -0.0100516200000000, 0.0156719700000000, 0.0113398600000000 ] - [ 0.0018082000000000, -0.0002408600000000, 0.0001966100000000 ] - [ 0.0018116300000000, -0.0000092300000000, -0.0020894200000000 ] - [ -0.0020891200000000, -0.0016378400000000, 0.0012049500000000 ] - [ -0.0199079200000000, -0.0291636300000000, 0.0090606800000000 ] - [ 0.0014717700000000, -0.0008075800000000, -0.0004902700000000 ] - [ -0.0006055000000000, 0.0021600600000000, -0.0000199300000000 ] - [ 0.0008806700000000, -0.0002788500000000, 0.0003831600000000 ] - [ -0.0000877500000000, -0.0030195900000000, -0.0003217900000000 ] - [ 0.0020530100000000, 0.0007959600000000, 0.0025971700000000 ] - [ 0.0010095700000000, 0.0004257200000000, -0.0026723300000000 ] - [ -0.0006280500000000, 0.0003875600000000, 0.0006051000000000 ] - [ -0.0195421200000000, 0.0089975800000000, -0.0054907000000000 ] - [ 0.0019372000000000, -0.0004888800000000, -0.0002478700000000 ] - [ 0.0008299500000000, -0.0007562200000000, -0.0031003400000000 ] - [ -0.0008667400000000, -0.0001915000000000, 0.0002914500000000 ] - [ 0.0040778300000000, 0.0163279900000000, 0.0029102900000000 ] - [ 0.0011181500000000, 0.0021636600000000, 0.0006605500000000 ]- atom: 31 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ 0.0001452100000000, -0.0000485300000000, -0.0006189100000000 ] - [ -0.0008737400000000, -0.0001787400000000, -0.0003730500000000 ] - [ -0.0005678900000000, 0.0006932000000000, 0.0004994300000000 ] - [ 0.0008696900000000, 0.0000030800000000, -0.0003347600000000 ] - [ 0.0007045800000000, 0.0000643200000000, -0.0007114900000000 ] - [ -0.0008486900000000, 0.0005719300000000, 0.0008127800000000 ] - [ 0.0008510500000000, -0.0009996200000000, 0.0029926500000000 ] - [ 0.0014437700000000, -0.0003780100000000, -0.0001975500000000 ] - [ 0.0014437800000000, -0.0034985700000000, 0.0014088300000000 ] - [ 0.0001278100000000, -0.0002248600000000, -0.0000701200000000 ] - [ 0.0108799500000000, -0.0120724000000000, -0.0110395000000000 ] - [ -0.0006806000000000, 0.0013360800000000, -0.0002241400000000 ] - [ -0.0017375600000000, -0.0002685500000000, 0.0023855600000000 ] - [ -0.0002970500000000, 0.0007485800000000, 0.0004250600000000 ] - [ -0.0388724800000000, 0.0072118900000000, 0.0362229500000000 ] - [ -0.0016854200000000, 0.0001728300000000, 0.0008132000000000 ] - [ -0.0008488300000000, -0.0017706700000000, 0.0010483900000000 ] - [ 0.0010769200000000, -0.0001850400000000, -0.0009756200000000 ] - [ 0.0034597700000000, -0.0099722500000000, 0.0142634100000000 ] - [ -0.0007556700000000, 0.0002276300000000, -0.0010458800000000 ] - [ 0.0006156000000000, 0.0029354400000000, 0.0018387500000000 ] - [ -0.0010814300000000, -0.0004350400000000, -0.0005098500000000 ] - [ 0.0014144400000000, -0.0004001900000000, 0.0062548800000000 ] - [ -0.0002791900000000, 0.0002585700000000, -0.0001476500000000 ] - [ 0.0022295600000000, 0.0008096900000000, 0.0005847400000000 ] - [ -0.0015722200000000, 0.0005631900000000, 0.0006065400000000 ] - [ -0.0064207700000000, -0.0010444800000000, 0.0010528300000000 ] - [ -0.0010037500000000, 0.0002121700000000, -0.0014002600000000 ] - [ 0.0004174400000000, -0.0004571800000000, 0.0004702700000000 ] - [ 0.0007549400000000, -0.0005001200000000, 0.0000958600000000 ] - [ 0.2641841700000000, 0.1862016600000000, -0.2490687700000000 ] - [ -0.0015100400000000, -0.0005470400000000, 0.0004174600000000 ] - [ -0.0013482300000000, 0.0005949600000000, 0.0014091000000000 ] - [ 0.0003430800000000, -0.0001415700000000, -0.0003557700000000 ] - [ 0.0053453000000000, 0.0037279200000000, -0.0033681700000000 ] - [ -0.0012200100000000, -0.0005707600000000, 0.0000476300000000 ] - [ -0.0017258700000000, 0.0008428400000000, 0.0016616400000000 ] - [ 0.0005947100000000, -0.0003257500000000, -0.0001911700000000 ] - [ -0.0167320700000000, 0.0119700100000000, 0.0021525600000000 ] - [ -0.0016161200000000, 0.0006475600000000, 0.0000566200000000 ] - [ -0.0000662400000000, 0.0006263800000000, 0.0017712100000000 ] - [ 0.0002640800000000, -0.0001561800000000, -0.0009491200000000 ] - [ -0.0195923000000000, -0.0074877900000000, 0.0010416100000000 ] - [ -0.0014866200000000, -0.0002641900000000, -0.0009124200000000 ] - [ -0.0017121000000000, 0.0039988700000000, 0.0008778400000000 ] - [ 0.0011527900000000, -0.0009305400000000, -0.0007262900000000 ] - [ -0.0009421000000000, -0.0010322500000000, 0.0021118100000000 ] - [ -0.0004654600000000, 0.0003600600000000, 0.0001101400000000 ] - [ -0.0013874400000000, 0.0006786800000000, 0.0032913500000000 ] - [ 0.0002912300000000, 0.0003174700000000, -0.0010708900000000 ] - [ -0.0008915100000000, -0.0003498500000000, 0.0018001400000000 ] - [ 0.0006983100000000, 0.0002638600000000, -0.0008779400000000 ] - [ -0.0002860200000000, -0.0002876400000000, 0.0060723200000000 ] - [ 0.0000178300000000, -0.0001391700000000, 0.0010357500000000 ] - [ 0.0036977100000000, 0.0032915200000000, -0.0093896700000000 ] - [ -0.0013789600000000, -0.0003682500000000, 0.0000056700000000 ] - [ -0.0007091400000000, 0.0002013900000000, 0.0004950300000000 ] - [ 0.0015675500000000, 0.0002584400000000, -0.0012665200000000 ] - [ -0.0005822500000000, -0.0022943700000000, -0.0016326100000000 ] - [ -0.0037941900000000, -0.0033349600000000, 0.0005551300000000 ] - [ -0.0003318200000000, 0.0002042900000000, 0.0012056500000000 ] - [ 0.0004044000000000, -0.0004763700000000, 0.0006029100000000 ] - [ 0.0028129100000000, 0.0047309400000000, -0.0015181900000000 ] - [ -0.0013705300000000, -0.0004946600000000, 0.0001148200000000 ] - [ -0.0011470300000000, -0.0002375900000000, 0.0005824500000000 ] - [ 0.0003298700000000, -0.0000905700000000, -0.0003238800000000 ] - [ 0.0043873300000000, -0.0043193700000000, 0.0000994500000000 ] - [ -0.0013789100000000, 0.0003467300000000, -0.0004506300000000 ] - [ -0.0028738900000000, 0.0016487000000000, -0.0128145000000000 ] - [ -0.0014572600000000, 0.0004012000000000, -0.0003700300000000 ] - [ 0.0111028500000000, -0.0269434900000000, 0.0194943100000000 ] - [ -0.0019846100000000, 0.0009857500000000, -0.0010149000000000 ] - [ 0.0046207300000000, 0.0001283600000000, 0.0016838900000000 ] - [ -0.0017182000000000, -0.0000939200000000, 0.0006312600000000 ] - [ -0.0029199300000000, 0.0038159600000000, -0.0015650800000000 ] - [ -0.0028540400000000, 0.0004031600000000, -0.0013549100000000 ] - [ 0.0020723600000000, 0.0004062500000000, 0.0009190300000000 ] - [ 0.0002511000000000, 0.0001078000000000, 0.0001313200000000 ] - [ -0.0028065900000000, 0.0008936700000000, 0.0004724700000000 ] - [ 0.0029208800000000, -0.0018909200000000, 0.0001128100000000 ] - [ -0.0029188500000000, 0.0012475600000000, 0.0030625800000000 ] - [ 0.0010061800000000, -0.0006030000000000, -0.0030356700000000 ] - [ 0.0012673000000000, 0.0006536100000000, -0.0041029200000000 ] - [ -0.0012263800000000, -0.0005002400000000, 0.0012597300000000 ] - [ -0.0022425000000000, 0.0008884800000000, 0.0024110500000000 ] - [ 0.0006257600000000, -0.0005484100000000, -0.0031902100000000 ] - [ 0.0009228700000000, -0.0010559300000000, 0.0017344100000000 ] - [ -0.0002498900000000, -0.0005768400000000, 0.0014965300000000 ] - [ -0.0005981300000000, -0.0007863200000000, 0.0009216000000000 ] - [ 0.0006419900000000, -0.0010805100000000, -0.0001525100000000 ] - [ -0.0167352200000000, -0.0225091200000000, -0.0041394400000000 ] - [ -0.0013809400000000, -0.0014462800000000, -0.0005579700000000 ] - [ -0.0002664900000000, 0.0008010400000000, 0.0009424400000000 ] - [ 0.0006481700000000, 0.0006133600000000, 0.0001151300000000 ] - [ 0.0016851000000000, -0.0034639900000000, -0.0022762700000000 ] - [ -0.0013183000000000, 0.0001202400000000, -0.0003365400000000 ] - [ 0.0001135200000000, 0.0000213600000000, 0.0022138600000000 ] - [ 0.0008382000000000, 0.0001332300000000, 0.0000897300000000 ] - [ -0.0024956300000000, 0.0017356600000000, -0.0046313400000000 ] - [ -0.0032489700000000, 0.0005062800000000, -0.0036501800000000 ] - [ 0.0004220700000000, 0.0002481600000000, 0.0016177100000000 ] - [ 0.0001997800000000, 0.0001036000000000, 0.0006245800000000 ] - [ -0.0001357700000000, 0.0003449100000000, 0.0012979600000000 ] - [ 0.0009539500000000, 0.0005018700000000, 0.0005343000000000 ] - [ -0.1731982500000000, -0.1120420300000000, 0.1840719300000000 ] - [ 0.0024475200000000, 0.0000901400000000, 0.0000559700000000 ] - [ 0.0024482600000000, 0.0006825200000000, -0.0028709500000000 ] - [ -0.0005504300000000, 0.0003287800000000, 0.0005703200000000 ] - [ 0.0017127000000000, -0.0004765600000000, -0.0034735000000000 ] - [ -0.0013258000000000, -0.0003565800000000, 0.0000614700000000 ] - [ 0.0032529400000000, -0.0167620200000000, 0.0070587900000000 ] - [ 0.0036628900000000, -0.0001945200000000, -0.0000077200000000 ] - [ -0.0089258400000000, 0.0080031700000000, -0.0103520900000000 ] - [ 0.0015217300000000, 0.0000260700000000, 0.0001348700000000 ] - [ 0.0024338600000000, -0.0023047400000000, -0.0015860900000000 ] - [ -0.0024535800000000, 0.0007129300000000, 0.0022377700000000 ] - [ -0.0020615400000000, 0.0011979500000000, -0.0071164700000000 ] - [ 0.0001266500000000, -0.0006484900000000, -0.0001950100000000 ] - [ 0.0065849100000000, -0.0003472000000000, -0.0017637900000000 ] - [ 0.0002847000000000, -0.0043307500000000, 0.0091352600000000 ] - [ -0.0006899000000000, 0.0015635800000000, -0.0011520600000000 ] - [ -0.0004881400000000, 0.0005413400000000, -0.0015065200000000 ] - [ 0.0119741500000000, -0.0009728300000000, 0.0011664000000000 ] - [ 0.0017836900000000, 0.0005537800000000, 0.0056334900000000 ] - [ -0.0043125600000000, -0.0023177300000000, 0.0015996000000000 ] - [ 0.0017930700000000, -0.0002104000000000, -0.0029006600000000 ] - [ -0.0104781400000000, 0.0074255700000000, 0.0106006800000000 ] - [ 0.0030447700000000, -0.0006720100000000, 0.0003568400000000 ] - [ 0.0035589900000000, -0.0000202600000000, -0.0043972900000000 ] - [ -0.0041390100000000, -0.0005739700000000, 0.0018608300000000 ] - [ -0.0211555000000000, -0.0111141600000000, 0.0178025100000000 ] - [ 0.0031679000000000, -0.0005148200000000, 0.0002917100000000 ] - [ 0.0003773600000000, 0.0002660900000000, -0.0042373000000000 ] - [ 0.0008524700000000, -0.0004222200000000, 0.0004573300000000 ] - [ 0.0131922600000000, -0.0202038000000000, -0.0078526300000000 ] - [ 0.0024246300000000, 0.0005324300000000, 0.0031644700000000 ] - [ 0.0018599200000000, 0.0012559800000000, -0.0051125900000000 ] - [ -0.0011532600000000, 0.0003090800000000, 0.0001343600000000 ] - [ -0.0212095000000000, 0.0057513600000000, -0.0004594600000000 ] - [ 0.0036468900000000, -0.0001631000000000, -0.0001685200000000 ] - [ 0.0019854300000000, -0.0009656200000000, -0.0055802600000000 ] - [ -0.0023388100000000, -0.0006261600000000, -0.0003154700000000 ] - [ 0.0024598500000000, 0.0116765100000000, 0.0052752100000000 ] - [ 0.0036959700000000, 0.0013224200000000, 0.0012607400000000 ]- atom: 31 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0003659300000000, 0.0000708900000000, 0.0006020500000000 ] - [ 0.0006579700000000, 0.0002010400000000, 0.0003515300000000 ] - [ 0.0007861700000000, -0.0006738900000000, -0.0004850600000000 ] - [ -0.0006524100000000, 0.0000207500000000, 0.0003522500000000 ] - [ -0.0004841900000000, -0.0000867900000000, 0.0007280500000000 ] - [ 0.0010668200000000, -0.0005938000000000, -0.0007926900000000 ] - [ -0.0010436300000000, 0.0009805600000000, -0.0030062700000000 ] - [ -0.0016573200000000, 0.0003529100000000, 0.0001815100000000 ] - [ -0.0002313500000000, 0.0035222200000000, -0.0017558500000000 ] - [ 0.0010721400000000, 0.0002676600000000, -0.0002792500000000 ] - [ -0.0096235200000000, 0.0131229100000000, 0.0096805200000000 ] - [ 0.0018812700000000, -0.0003701000000000, -0.0011165300000000 ] - [ 0.0005398000000000, 0.0012372400000000, -0.0010453000000000 ] - [ -0.0009084900000000, 0.0002136600000000, 0.0009189500000000 ] - [ 0.0384764300000000, -0.0082539100000000, -0.0356564500000000 ] - [ 0.0004859700000000, -0.0011402900000000, 0.0005251600000000 ] - [ 0.0020493400000000, 0.0008037700000000, -0.0023890500000000 ] - [ 0.0001240500000000, -0.0007797400000000, -0.0003668300000000 ] - [ -0.0035642200000000, 0.0098807500000000, -0.0151460000000000 ] - [ 0.0006273100000000, -0.0002346500000000, 0.0000419200000000 ] - [ -0.0004772600000000, -0.0029303200000000, -0.0008350300000000 ] - [ 0.0012034200000000, 0.0004281000000000, 0.0015155500000000 ] - [ -0.0012997400000000, 0.0004087000000000, -0.0052803000000000 ] - [ 0.0004084300000000, -0.0002513800000000, 0.0011521000000000 ] - [ -0.0032247400000000, -0.0001784300000000, -0.0002040100000000 ] - [ 0.0005574900000000, 0.0000795100000000, -0.0002162200000000 ] - [ 0.0054443400000000, 0.0004103300000000, -0.0006644800000000 ] - [ 0.0000254000000000, -0.0008519400000000, 0.0017990500000000 ] - [ 0.0005817600000000, -0.0001823800000000, -0.0008570200000000 ] - [ 0.0002591500000000, -0.0001429600000000, -0.0004861900000000 ] - [ -0.2740534100000000, -0.1951452900000000, 0.2594554300000000 ] - [ 0.0015391800000000, 0.0007343300000000, -0.0003008300000000 ] - [ 0.0013214100000000, -0.0004106700000000, -0.0015252800000000 ] - [ -0.0003769400000000, 0.0003317400000000, 0.0002410300000000 ] - [ -0.0054130100000000, -0.0039448500000000, 0.0032754700000000 ] - [ 0.0011923000000000, 0.0003850300000000, -0.0001660600000000 ] - [ 0.0017558200000000, -0.0010294600000000, -0.0015456300000000 ] - [ -0.0005640300000000, 0.0001355800000000, 0.0003067900000000 ] - [ 0.0153328700000000, -0.0118092200000000, -0.0017789500000000 ] - [ 0.0004077200000000, -0.0005980800000000, 0.0002968600000000 ] - [ -0.0000628100000000, -0.0006235900000000, -0.0027739400000000 ] - [ -0.0003900400000000, 0.0001615800000000, -0.0000598500000000 ] - [ 0.0204609400000000, 0.0080593200000000, -0.0013964600000000 ] - [ 0.0024889000000000, 0.0009038400000000, 0.0005298400000000 ] - [ 0.0029344600000000, -0.0040801600000000, -0.0012325500000000 ] - [ 0.0000531900000000, 0.0008857300000000, 0.0003728500000000 ] - [ -0.0002653200000000, 0.0009944000000000, -0.0017622100000000 ] - [ -0.0007351700000000, -0.0004035900000000, 0.0002392200000000 ] - [ 0.0009832800000000, -0.0002558100000000, -0.0047318400000000 ] - [ -0.0006875800000000, 0.0001033100000000, -0.0003730200000000 ] - [ 0.0012807100000000, 0.0007596100000000, -0.0003423500000000 ] - [ -0.0002933000000000, 0.0001578600000000, 0.0023053900000000 ] - [ 0.0006921600000000, -0.0001354700000000, -0.0046208300000000 ] - [ 0.0003776800000000, -0.0002812800000000, 0.0004077000000000 ] - [ -0.0040773200000000, -0.0037129100000000, 0.0079332100000000 ] - [ 0.0009735600000000, -0.0000532500000000, -0.0014348300000000 ] - [ 0.0009080200000000, -0.0009325000000000, -0.0011713700000000 ] - [ -0.0013704200000000, -0.0009964400000000, 0.0005719700000000 ] - [ 0.0003735400000000, 0.0015518700000000, 0.0023164600000000 ] - [ 0.0035722800000000, 0.0025831800000000, 0.0001210600000000 ] - [ 0.0001324800000000, 0.0005261400000000, -0.0005277900000000 ] - [ -0.0006099100000000, 0.0012118000000000, 0.0000778500000000 ] - [ -0.0026078900000000, -0.0040058400000000, 0.0008510600000000 ] - [ 0.0015791100000000, 0.0012358500000000, -0.0007914600000000 ] - [ 0.0003006300000000, -0.0005226500000000, -0.0014422600000000 ] - [ -0.0011805000000000, -0.0006726600000000, -0.0005400600000000 ] - [ -0.0035511300000000, 0.0035510200000000, 0.0007689100000000 ] - [ 0.0022223800000000, -0.0011067200000000, 0.0013095800000000 ] - [ 0.0031357600000000, -0.0013130100000000, 0.0136192200000000 ] - [ 0.0016145400000000, -0.0001144100000000, 0.0011498900000000 ] - [ -0.0120209700000000, 0.0279253200000000, -0.0203884700000000 ] - [ 0.0011376200000000, -0.0002239300000000, 0.0001531000000000 ] - [ -0.0052599500000000, 0.0001781900000000, -0.0011281500000000 ] - [ 0.0010470400000000, 0.0003933600000000, -0.0000729100000000 ] - [ 0.0035764300000000, -0.0034911300000000, 0.0009999500000000 ] - [ 0.0035007700000000, -0.0001002700000000, 0.0007965700000000 ] - [ -0.0014244400000000, -0.0007101100000000, -0.0014773500000000 ] - [ 0.0004210700000000, -0.0004074200000000, -0.0006887900000000 ] - [ 0.0021456500000000, -0.0012015600000000, 0.0000890700000000 ] - [ -0.0035786800000000, 0.0015876500000000, 0.0004448500000000 ] - [ 0.0035419800000000, -0.0010697700000000, -0.0028678100000000 ] - [ -0.0003797400000000, 0.0007850900000000, 0.0032254300000000 ] - [ -0.0019067600000000, -0.0004861100000000, 0.0039122900000000 ] - [ 0.0005854000000000, 0.0006707200000000, -0.0014440000000000 ] - [ 0.0016117100000000, -0.0010639100000000, -0.0026008600000000 ] - [ -0.0012671400000000, 0.0003802000000000, 0.0030234000000000 ] - [ -0.0002858800000000, 0.0008794600000000, -0.0015396700000000 ] - [ 0.0008904600000000, 0.0004055900000000, -0.0013117200000000 ] - [ 0.0004083400000000, -0.0006414400000000, -0.0009434100000000 ] - [ -0.0008342400000000, -0.0003430500000000, 0.0001269400000000 ] - [ 0.0169302900000000, 0.0211708500000000, 0.0042585000000000 ] - [ 0.0015685400000000, 0.0000176000000000, 0.0005800800000000 ] - [ 0.0004578800000000, 0.0006259200000000, -0.0009184100000000 ] - [ -0.0004606100000000, 0.0008131300000000, -0.0000900600000000 ] - [ -0.0018755900000000, 0.0048960500000000, 0.0022653400000000 ] - [ 0.0011286800000000, 0.0013060900000000, 0.0003127300000000 ] - [ 0.0000349500000000, -0.0003089700000000, -0.0014435800000000 ] - [ -0.0006888600000000, -0.0004258300000000, 0.0006704400000000 ] - [ 0.0023513300000000, -0.0020329000000000, 0.0039014300000000 ] - [ 0.0030859800000000, -0.0007898800000000, 0.0028580200000000 ] - [ -0.0005702800000000, 0.0000385200000000, -0.0023881000000000 ] - [ -0.0003524500000000, 0.0001843400000000, -0.0013916100000000 ] - [ 0.0009842300000000, 0.0004164000000000, -0.0004353200000000 ] - [ -0.0001083500000000, 0.0002604700000000, 0.0003282500000000 ] - [ 0.1831609000000000, 0.1225054100000000, -0.1943601100000000 ] - [ -0.0031729300000000, 0.0003852300000000, -0.0003962000000000 ] - [ -0.0017240300000000, -0.0002058500000000, 0.0032135500000000 ] - [ 0.0012798600000000, 0.0001416700000000, -0.0002257200000000 ] - [ -0.0024422500000000, -0.0000013600000000, 0.0031292100000000 ] - [ 0.0006038600000000, -0.0001126900000000, -0.0004052700000000 ] - [ -0.0030757400000000, 0.0168221000000000, -0.0076671300000000 ] - [ -0.0034235300000000, 0.0003338800000000, -0.0006667500000000 ] - [ 0.0086385100000000, -0.0078278300000000, 0.0109888000000000 ] - [ -0.0017357600000000, 0.0001185400000000, 0.0005291100000000 ] - [ -0.0026532400000000, 0.0021870500000000, 0.0022320100000000 ] - [ 0.0022229000000000, -0.0008557700000000, -0.0015603500000000 ] - [ 0.0023082600000000, -0.0013558300000000, 0.0064679800000000 ] - [ 0.0000854600000000, 0.0005042500000000, -0.0004671400000000 ] - [ -0.0059101200000000, 0.0005330700000000, 0.0004244300000000 ] - [ 0.0003844200000000, 0.0045376800000000, -0.0105521700000000 ] - [ -0.0000022000000000, -0.0013728600000000, 0.0024801000000000 ] - [ -0.0002223600000000, -0.0003511600000000, 0.0028447800000000 ] - [ -0.0126361900000000, 0.0007861800000000, 0.0001872800000000 ] - [ -0.0024726400000000, -0.0007431000000000, -0.0043298500000000 ] - [ 0.0050094800000000, 0.0021472200000000, -0.0029134500000000 ] - [ -0.0010829800000000, 0.0000205600000000, 0.0015634100000000 ] - [ 0.0112486900000000, -0.0079187400000000, -0.0103175700000000 ] - [ -0.0023189100000000, 0.0001965500000000, -0.0000098100000000 ] - [ -0.0033138700000000, 0.0009354000000000, 0.0054024300000000 ] - [ 0.0043783400000000, 0.0014725100000000, -0.0008300000000000 ] - [ 0.0193789400000000, 0.0090903200000000, -0.0181626700000000 ] - [ -0.0036549600000000, -0.0002497600000000, -0.0008481500000000 ] - [ 0.0000961400000000, -0.0010165000000000, 0.0047899700000000 ] - [ -0.0003510800000000, -0.0003419500000000, 0.0000871000000000 ] - [ -0.0127747300000000, 0.0211107900000000, 0.0084249700000000 ] - [ -0.0019495000000000, 0.0002222100000000, -0.0025998200000000 ] - [ -0.0023454500000000, -0.0004970800000000, 0.0045647200000000 ] - [ 0.0006572100000000, 0.0004576900000000, -0.0006728100000000 ] - [ 0.0214213800000000, -0.0066364300000000, 0.0014478400000000 ] - [ -0.0034120000000000, -0.0007547900000000, 0.0011749300000000 ] - [ -0.0022292700000000, 0.0000496600000000, 0.0045655500000000 ] - [ 0.0021153300000000, -0.0002880600000000, -0.0007073100000000 ] - [ -0.0026611900000000, -0.0107195200000000, -0.0062810100000000 ] - [ -0.0039276600000000, -0.0004021300000000, -0.0022593800000000 ]- atom: 49 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0005076300000000, -0.0001854700000000, -0.0005078200000000 ] - [ -0.0022579800000000, 0.0032122100000000, 0.0007098500000000 ] - [ -0.0002300000000000, -0.0005760300000000, 0.0007898800000000 ] - [ 0.0002210900000000, 0.0001013600000000, -0.0002651400000000 ] - [ 0.0013349500000000, 0.0007999800000000, 0.0004193300000000 ] - [ -0.0002572600000000, -0.0000444100000000, -0.0000488700000000 ] - [ -0.0001487600000000, 0.0000113600000000, 0.0000481800000000 ] - [ 0.0000312100000000, -0.0010485000000000, 0.0010259200000000 ] - [ 0.0014016400000000, 0.0006593600000000, -0.0004442700000000 ] - [ -0.0007724500000000, 0.0000570900000000, 0.0010002100000000 ] - [ 0.0013118100000000, -0.0001574900000000, -0.0016180700000000 ] - [ 0.0001430800000000, 0.0008572400000000, -0.0003749300000000 ] - [ 0.0019919900000000, 0.0038800100000000, 0.0004225700000000 ] - [ -0.0004596300000000, -0.0004095100000000, 0.0015665200000000 ] - [ -0.0006473800000000, -0.0005219900000000, -0.0000017700000000 ] - [ -0.0005760500000000, -0.0006306000000000, 0.0003094700000000 ] - [ -0.0012901200000000, -0.0038383000000000, 0.0021477400000000 ] - [ 0.0017731000000000, 0.0005702100000000, -0.0009924100000000 ] - [ 0.0003960100000000, 0.0001061700000000, -0.0011994400000000 ] - [ -0.0008180600000000, -0.0001608800000000, 0.0012984800000000 ] - [ 0.0001041300000000, -0.0002192200000000, -0.0006444700000000 ] - [ 0.0002077700000000, 0.0002636100000000, 0.0013479200000000 ] - [ -0.0098725600000000, -0.0007932600000000, 0.0029224100000000 ] - [ 0.0004728000000000, 0.0000514200000000, 0.0002407200000000 ] - [ 0.0012088200000000, -0.0000931500000000, 0.0000315100000000 ] - [ -0.0033471300000000, 0.0008853200000000, 0.0012650500000000 ] - [ -0.0018840900000000, -0.0005971100000000, 0.0004709300000000 ] - [ 0.0016974900000000, -0.0000283100000000, -0.0008027500000000 ] - [ -0.0016878400000000, 0.0003908000000000, 0.0003332300000000 ] - [ 0.0018413300000000, -0.0007139500000000, -0.0001624000000000 ] - [ 0.0008695100000000, 0.0006844800000000, -0.0007915200000000 ] - [ -0.0006609600000000, -0.0002482700000000, 0.0001830600000000 ] - [ 0.0018840300000000, -0.0014417800000000, -0.0000517800000000 ] - [ 0.0000269900000000, 0.0007008300000000, 0.0005720600000000 ] - [ 0.0000144300000000, 0.0000986000000000, -0.0006369500000000 ] - [ -0.0000033000000000, 0.0000369000000000, -0.0002670300000000 ] - [ -0.0023111800000000, 0.0036856000000000, 0.0031828200000000 ] - [ 0.0016904600000000, -0.0011673700000000, -0.0002026700000000 ] - [ 0.0001058100000000, 0.0000070200000000, -0.0007593700000000 ] - [ -0.0007437800000000, 0.0001791200000000, 0.0004652700000000 ] - [ -0.0008526900000000, -0.0003091400000000, -0.0003961900000000 ] - [ 0.0002013600000000, -0.0001184400000000, -0.0009526100000000 ] - [ 0.0032307500000000, 0.0001831600000000, -0.0015749400000000 ] - [ 0.0001819300000000, 0.0002246200000000, -0.0000969700000000 ] - [ 0.0000163700000000, 0.0004373100000000, -0.0000321100000000 ] - [ 0.0011982000000000, -0.0002922400000000, -0.0007524000000000 ] - [ -0.0125801400000000, -0.0088035300000000, -0.0042178600000000 ] - [ 0.0000725300000000, 0.0004915700000000, 0.0000338300000000 ] - [ -0.1115257300000000, 0.0297669300000000, 0.1336178000000000 ] - [ 0.0005337900000000, 0.0001423600000000, -0.0013714100000000 ] - [ 0.0000050800000000, 0.0002056800000000, 0.0008393600000000 ] - [ 0.0008296700000000, 0.0003573800000000, -0.0007343200000000 ] - [ 0.0010704700000000, -0.0003689400000000, 0.0000061100000000 ] - [ 0.0005955300000000, 0.0029205300000000, 0.0067425000000000 ] - [ 0.0007446600000000, 0.0001267800000000, -0.0029906400000000 ] - [ -0.0005174200000000, -0.0002917500000000, 0.0000249900000000 ] - [ -0.0042900000000000, 0.0061400000000000, -0.0016372200000000 ] - [ 0.0006794300000000, -0.0008053500000000, -0.0003133100000000 ] - [ -0.0000548200000000, -0.0002896200000000, 0.0003191000000000 ] - [ -0.0004040000000000, -0.0024808200000000, -0.0009465500000000 ] - [ 0.0004549600000000, -0.0003167700000000, 0.0007814100000000 ] - [ -0.0005697200000000, 0.0031610900000000, 0.0000180800000000 ] - [ 0.0011379000000000, -0.0005049300000000, -0.0021433000000000 ] - [ -0.0001228500000000, 0.0003895800000000, 0.0001496800000000 ] - [ 0.0156734800000000, 0.0073325400000000, -0.0023280900000000 ] - [ 0.0013672500000000, 0.0000390300000000, 0.0006837200000000 ] - [ 0.0003169200000000, -0.0002975200000000, 0.0000338000000000 ] - [ -0.0001905600000000, -0.0000776300000000, 0.0000335000000000 ] - [ -0.0000009600000000, 0.0003742000000000, -0.0023536200000000 ] - [ -0.0000962200000000, 0.0001315200000000, 0.0009590700000000 ] - [ -0.0005584600000000, 0.0004897900000000, -0.0012409100000000 ] - [ -0.0007255300000000, 0.0004362600000000, -0.0005553300000000 ] - [ 0.0011348800000000, 0.0006154000000000, 0.0002819700000000 ] - [ -0.0087868200000000, -0.0017932000000000, 0.0019060900000000 ] - [ 0.0007377700000000, 0.0004099400000000, -0.0009535600000000 ] - [ 0.0002885600000000, 0.0001774300000000, -0.0001569900000000 ] - [ 0.0322056500000000, 0.0000823900000000, -0.0295246100000000 ] - [ 0.0018868700000000, 0.0003221200000000, -0.0000532100000000 ] - [ -0.0010067500000000, 0.0000026000000000, 0.0004004500000000 ] - [ 0.0006731100000000, -0.0003104100000000, -0.0001860700000000 ] - [ 0.0041515200000000, -0.0040648800000000, -0.0127201600000000 ] - [ 0.0004284500000000, 0.0000879100000000, 0.0001000400000000 ] - [ 0.0001312900000000, 0.0002172200000000, -0.0004192700000000 ] - [ -0.0010624000000000, 0.0005843300000000, 0.0000064800000000 ] - [ -0.0006400000000000, 0.0002179300000000, 0.0011817300000000 ] - [ 0.0028751700000000, -0.0002901300000000, -0.0040374900000000 ] - [ 0.0003623200000000, -0.0003974000000000, -0.0007887000000000 ] - [ 0.0004600700000000, -0.0001919000000000, 0.0006353600000000 ] - [ 0.0047125300000000, -0.0091153700000000, 0.0003133600000000 ] - [ 0.0010321300000000, -0.0010069300000000, 0.0007114200000000 ] - [ -0.0000139200000000, -0.0008591400000000, -0.0003709100000000 ] - [ -0.0004802100000000, -0.0009055300000000, -0.0006047100000000 ] - [ 0.0025604400000000, 0.0003559200000000, 0.0022004600000000 ] - [ 0.0037232600000000, -0.0014330500000000, 0.0017790700000000 ] - [ -0.0002775600000000, 0.0004639900000000, -0.0007483800000000 ] - [ -0.0002541400000000, 0.0007202300000000, 0.0000327500000000 ] - [ -0.0012125900000000, 0.0005781300000000, 0.0024084000000000 ] - [ 0.0007379200000000, -0.0000679000000000, 0.0007926300000000 ] - [ -0.0004073200000000, -0.0000599400000000, -0.0008508400000000 ] - [ -0.0005715000000000, -0.0005537600000000, -0.0042717100000000 ] - [ 0.0007497700000000, 0.0003160900000000, 0.0004765300000000 ] - [ -0.0001392900000000, 0.0004478500000000, 0.0007603700000000 ] - [ 0.0025969700000000, 0.0000077700000000, 0.0019323400000000 ] - [ 0.0042585000000000, 0.0027896100000000, 0.0024037700000000 ] - [ -0.0006002500000000, 0.0000251500000000, 0.0016511000000000 ] - [ 0.0005446900000000, 0.0006154600000000, 0.0003686500000000 ] - [ -0.0045410100000000, 0.0061035800000000, -0.0047422300000000 ] - [ -0.0022159800000000, -0.0018448300000000, -0.0015762900000000 ] - [ -0.0081837900000000, -0.0104787400000000, -0.0085031300000000 ] - [ -0.0040598800000000, 0.0018534900000000, -0.0024176500000000 ] - [ -0.0008095900000000, -0.0002432600000000, 0.0022826100000000 ] - [ 0.0001734000000000, -0.0001542900000000, -0.0013236600000000 ] - [ -0.0019699800000000, -0.0002558600000000, 0.0012110000000000 ] - [ 0.0063118100000000, -0.0014276500000000, -0.0075060800000000 ] - [ 0.0008599300000000, -0.0002571200000000, 0.0002008800000000 ] - [ -0.0014616000000000, 0.0000482900000000, 0.0018651800000000 ] - [ 0.0645613800000000, -0.0119521300000000, -0.0481264000000000 ] - [ -0.0016199600000000, -0.0004434700000000, 0.0001432200000000 ] - [ 0.0016208300000000, -0.0002523700000000, -0.0019998300000000 ] - [ -0.0027660700000000, 0.0016163000000000, 0.0041739800000000 ] - [ 0.0015872800000000, -0.0018149500000000, -0.0002945000000000 ] - [ -0.0019003900000000, 0.0005077600000000, -0.0002017200000000 ] - [ -0.0028137400000000, 0.0057415200000000, 0.0068011000000000 ] - [ -0.0001461500000000, -0.0002273000000000, 0.0008178900000000 ] - [ -0.0015419600000000, -0.0000261400000000, -0.0006642400000000 ] - [ 0.0055735000000000, -0.0039092000000000, -0.0037956900000000 ] - [ 0.0001112400000000, 0.0000211800000000, 0.0018226200000000 ] - [ 0.0010017600000000, -0.0007070400000000, 0.0002916700000000 ] - [ 0.0324572400000000, -0.0048041200000000, -0.0314398800000000 ] - [ -0.0023983700000000, 0.0004753600000000, 0.0000339400000000 ] - [ -0.0028507700000000, -0.0010909400000000, 0.0031072700000000 ] - [ 0.0006169500000000, -0.0002066600000000, -0.0016810600000000 ] - [ -0.0032369900000000, -0.0010927500000000, 0.0015856900000000 ] - [ 0.0013544600000000, -0.0005830300000000, -0.0021484400000000 ] - [ 0.0024914700000000, -0.0003005500000000, 0.0020562800000000 ] - [ -0.0008790000000000, -0.0002267800000000, 0.0029326600000000 ] - [ 0.0091412800000000, 0.0040225400000000, -0.0057399600000000 ] - [ -0.0028162900000000, 0.0004674700000000, 0.0002987400000000 ] - [ -0.0009732900000000, 0.0006880400000000, 0.0036987000000000 ] - [ 0.0007747400000000, -0.0005824700000000, -0.0003117400000000 ] - [ -0.0035329500000000, 0.0004219000000000, -0.0026203500000000 ] - [ -0.0152643200000000, -0.0114630000000000, -0.0047831900000000 ] - [ -0.0000639500000000, 0.0004868300000000, -0.0001574100000000 ] - [ 0.0005361400000000, 0.0011458000000000, 0.0014669900000000 ]- atom: 49 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ 0.0002885600000000, 0.0002075300000000, 0.0004870400000000 ] - [ 0.0020309800000000, -0.0031951800000000, -0.0007309100000000 ] - [ 0.0004470300000000, 0.0006016900000000, -0.0007743400000000 ] - [ 0.0000005300000000, -0.0000783900000000, 0.0002812200000000 ] - [ -0.0011082600000000, -0.0008218300000000, -0.0004012500000000 ] - [ 0.0004748700000000, 0.0000216500000000, 0.0000686900000000 ] - [ -0.0000702500000000, -0.0000335600000000, -0.0000632900000000 ] - [ -0.0002475400000000, 0.0010210700000000, -0.0010417800000000 ] - [ -0.0001959900000000, -0.0006121900000000, 0.0000926000000000 ] - [ 0.0019815500000000, -0.0000126200000000, -0.0013563700000000 ] - [ -0.0001023100000000, 0.0011179900000000, 0.0002702500000000 ] - [ 0.0010560200000000, 0.0001091400000000, -0.0009658700000000 ] - [ -0.0031785500000000, -0.0028867300000000, 0.0009238200000000 ] - [ -0.0007418000000000, 0.0013784100000000, -0.0002279900000000 ] - [ -0.0005429300000000, -0.0004558500000000, 0.0013245800000000 ] - [ -0.0006288400000000, -0.0003326300000000, 0.0010332600000000 ] - [ 0.0024754000000000, 0.0028531200000000, -0.0034707300000000 ] - [ -0.0005740100000000, -0.0015376900000000, -0.0003498200000000 ] - [ -0.0005208800000000, -0.0001126100000000, 0.0001909300000000 ] - [ 0.0006939400000000, 0.0001547100000000, -0.0023106700000000 ] - [ 0.0000221000000000, 0.0002124900000000, 0.0016461100000000 ] - [ -0.0000830200000000, -0.0002709500000000, -0.0003449600000000 ] - [ 0.0099812600000000, 0.0007919100000000, -0.0020886000000000 ] - [ -0.0003468500000000, -0.0000448600000000, 0.0007641100000000 ] - [ -0.0022115800000000, 0.0007330600000000, 0.0003563500000000 ] - [ 0.0023412600000000, -0.0002421600000000, -0.0008744300000000 ] - [ 0.0008529800000000, -0.0000486800000000, -0.0000831500000000 ] - [ -0.0027082500000000, -0.0006111300000000, 0.0011927100000000 ] - [ 0.0027089800000000, -0.0010408500000000, -0.0007195700000000 ] - [ -0.0008340500000000, 0.0000729300000000, -0.0002260600000000 ] - [ -0.0008290600000000, -0.0004924800000000, 0.0009007500000000 ] - [ 0.0006878400000000, 0.0004350000000000, -0.0000663100000000 ] - [ -0.0019110600000000, 0.0016266400000000, -0.0000605100000000 ] - [ -0.0000561400000000, -0.0005156300000000, -0.0006910300000000 ] - [ -0.0000301000000000, -0.0002754500000000, 0.0005100800000000 ] - [ -0.0000306400000000, -0.0002268000000000, 0.0001522200000000 ] - [ 0.0023174800000000, -0.0038464100000000, -0.0030422900000000 ] - [ -0.0016628300000000, 0.0009808000000000, 0.0003180600000000 ] - [ -0.0013065300000000, 0.0000381800000000, 0.0011069300000000 ] - [ -0.0004613700000000, -0.0001339000000000, -0.0001151500000000 ] - [ 0.0007175400000000, 0.0003105600000000, -0.0006142400000000 ] - [ -0.0003283100000000, 0.0001247600000000, -0.0000531800000000 ] - [ -0.0022152600000000, 0.0004567800000000, 0.0011828500000000 ] - [ 0.0008201800000000, 0.0004155100000000, -0.0002949300000000 ] - [ 0.0011777300000000, -0.0004697400000000, -0.0003213700000000 ] - [ 0.0000049200000000, 0.0002459700000000, 0.0004012100000000 ] - [ 0.0114218500000000, 0.0086589800000000, 0.0044761400000000 ] - [ -0.0012762900000000, -0.0005363200000000, 0.0003167400000000 ] - [ 0.1105519000000000, -0.0292033900000000, -0.1347244900000000 ] - [ -0.0009336100000000, 0.0002781800000000, -0.0000680400000000 ] - [ 0.0003956400000000, 0.0002177300000000, 0.0005903600000000 ] - [ -0.0004296300000000, 0.0000629800000000, 0.0021719200000000 ] - [ -0.0006682900000000, -0.0000527800000000, 0.0014307700000000 ] - [ -0.0002264900000000, -0.0033736900000000, -0.0053353400000000 ] - [ -0.0011420600000000, -0.0005460900000000, 0.0015478400000000 ] - [ 0.0001150200000000, -0.0001291300000000, -0.0014627200000000 ] - [ 0.0044601800000000, -0.0068626800000000, 0.0009873100000000 ] - [ -0.0004763100000000, 0.0000703100000000, -0.0003663400000000 ] - [ -0.0001483100000000, -0.0004444100000000, 0.0003541200000000 ] - [ 0.0001983000000000, 0.0017383300000000, 0.0016208000000000 ] - [ -0.0006576500000000, 0.0010503600000000, -0.0001010100000000 ] - [ 0.0003757600000000, -0.0024423700000000, 0.0006627500000000 ] - [ -0.0009337600000000, 0.0012484700000000, 0.0014690200000000 ] - [ 0.0003197900000000, 0.0003430300000000, -0.0008253200000000 ] - [ -0.0162843500000000, -0.0080009700000000, 0.0013863100000000 ] - [ -0.0022191300000000, -0.0008023400000000, -0.0015493100000000 ] - [ 0.0005323200000000, -0.0004633900000000, 0.0008250700000000 ] - [ 0.0010351200000000, -0.0006838700000000, 0.0008278000000000 ] - [ 0.0001541000000000, -0.0000853200000000, 0.0031280400000000 ] - [ 0.0002405400000000, 0.0001576000000000, -0.0001927300000000 ] - [ -0.0002798500000000, 0.0002683300000000, 0.0003773600000000 ] - [ -0.0001262800000000, 0.0003280400000000, -0.0003083900000000 ] - [ -0.0017952500000000, -0.0003126200000000, 0.0002749100000000 ] - [ 0.0081300800000000, 0.0021248500000000, -0.0012986000000000 ] - [ -0.0000751200000000, -0.0001063100000000, 0.0003941500000000 ] - [ 0.0003717400000000, 0.0001262500000000, -0.0004024300000000 ] - [ -0.0320681500000000, -0.0003819500000000, 0.0295308900000000 ] - [ -0.0012214600000000, -0.0006243500000000, -0.0005034600000000 ] - [ 0.0003325600000000, -0.0003008600000000, 0.0001556000000000 ] - [ -0.0013328500000000, 0.0000061000000000, 0.0007440800000000 ] - [ -0.0034980500000000, 0.0042364800000000, 0.0128299400000000 ] - [ 0.0002102500000000, 0.0000819800000000, 0.0000768300000000 ] - [ -0.0007673100000000, -0.0000429500000000, 0.0002269100000000 ] - [ 0.0004230100000000, -0.0004138200000000, -0.0001864300000000 ] - [ -0.0000043200000000, -0.0003881200000000, -0.0013591200000000 ] - [ -0.0035260600000000, 0.0001171500000000, 0.0038692900000000 ] - [ 0.0002839200000000, 0.0002219000000000, 0.0009737900000000 ] - [ 0.0001762600000000, 0.0000187900000000, -0.0004449200000000 ] - [ -0.0048809200000000, 0.0076328000000000, -0.0003458800000000 ] - [ -0.0012257400000000, -0.0004185200000000, -0.0007388300000000 ] - [ 0.0002038800000000, -0.0005699700000000, 0.0003897900000000 ] - [ 0.0006679200000000, -0.0005208100000000, 0.0006285000000000 ] - [ -0.0023589000000000, 0.0010695000000000, -0.0021600000000000 ] - [ -0.0035410300000000, 0.0028670600000000, -0.0017599500000000 ] - [ 0.0000937400000000, 0.0009647900000000, 0.0007247400000000 ] - [ 0.0000607100000000, 0.0007039200000000, -0.0000574400000000 ] - [ 0.0013640700000000, -0.0008691300000000, -0.0016183400000000 ] - [ -0.0005875400000000, -0.0002203800000000, -0.0000247200000000 ] - [ 0.0002476300000000, -0.0002247800000000, 0.0000563800000000 ] - [ 0.0004182000000000, 0.0002628500000000, 0.0034908000000000 ] - [ -0.0008979400000000, -0.0000264700000000, -0.0012416600000000 ] - [ -0.0000062400000000, -0.0001608200000000, -0.0015262100000000 ] - [ -0.0017457600000000, 0.0007505900000000, -0.0010629000000000 ] - [ -0.0034253000000000, -0.0020362400000000, -0.0015482600000000 ] - [ -0.0001432900000000, 0.0004581200000000, -0.0019764600000000 ] - [ -0.0012652200000000, -0.0001446500000000, -0.0007128100000000 ] - [ 0.0052547600000000, -0.0056004800000000, 0.0050544600000000 ] - [ 0.0029482500000000, 0.0023248800000000, 0.0019282500000000 ] - [ 0.0074236500000000, 0.0099175900000000, 0.0080667900000000 ] - [ 0.0033418400000000, -0.0023320000000000, 0.0020813200000000 ] - [ 0.0010305600000000, 0.0003835800000000, -0.0029421200000000 ] - [ 0.0000530300000000, 0.0002975500000000, 0.0006591600000000 ] - [ 0.0017415900000000, 0.0003983100000000, -0.0005410500000000 ] - [ -0.0065824900000000, 0.0015687500000000, 0.0082017100000000 ] - [ -0.0010700800000000, 0.0001060200000000, 0.0004772100000000 ] - [ 0.0012359400000000, -0.0001892100000000, -0.0011975200000000 ] - [ -0.0636174700000000, 0.0119170800000000, 0.0479099700000000 ] - [ 0.0018413700000000, 0.0003000200000000, -0.0008094700000000 ] - [ -0.0008943000000000, 0.0004378400000000, 0.0006597100000000 ] - [ 0.0034706700000000, -0.0014402700000000, -0.0055201000000000 ] - [ -0.0023163400000000, 0.0020167800000000, 0.0016270600000000 ] - [ 0.0011973900000000, -0.0003191700000000, 0.0015312600000000 ] - [ 0.0021079400000000, -0.0059175800000000, -0.0054527000000000 ] - [ -0.0005505200000000, 0.0000384900000000, 0.0005343700000000 ] - [ 0.0022385300000000, -0.0001633100000000, -0.0006660200000000 ] - [ -0.0048780100000000, 0.0037220700000000, 0.0024406500000000 ] - [ 0.0005965500000000, -0.0004989100000000, -0.0014670000000000 ] - [ -0.0002703100000000, 0.0002346300000000, 0.0000513300000000 ] - [ -0.0320428400000000, 0.0055015800000000, 0.0314859500000000 ] - [ 0.0026349900000000, 0.0004395900000000, 0.0009851200000000 ] - [ 0.0023414700000000, 0.0003266300000000, -0.0036469900000000 ] - [ -0.0011020800000000, -0.0005563300000000, 0.0011380100000000 ] - [ 0.0037164500000000, 0.0003203700000000, -0.0010345900000000 ] - [ -0.0008681000000000, -0.0001826900000000, 0.0026973700000000 ] - [ -0.0019692000000000, 0.0010437000000000, -0.0014234000000000 ] - [ 0.0013758800000000, 0.0009921700000000, -0.0023835000000000 ] - [ -0.0095619100000000, -0.0031931600000000, 0.0051463400000000 ] - [ 0.0023259900000000, 0.0002965900000000, -0.0008453700000000 ] - [ 0.0011929000000000, -0.0016064800000000, -0.0026855800000000 ] - [ -0.0005274100000000, -0.0003336000000000, 0.0013227100000000 ] - [ 0.0032885700000000, -0.0013290800000000, 0.0015949700000000 ] - [ 0.0150644100000000, 0.0105916500000000, 0.0037901100000000 ] - [ -0.0001745800000000, 0.0004269400000000, -0.0008419700000000 ] - [ -0.0007678600000000, -0.0002280900000000, -0.0024782400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002326600000000, 0.0000738200000000, -0.0000009100000000 ] - [ 0.0012717400000000, 0.0001750600000000, -0.0002507300000000 ] - [ 0.0002209500000000, -0.0000115300000000, -0.0000999500000000 ] - [ 0.0000044900000000, -0.0000946100000000, 0.0000491700000000 ] - [ 0.0000267800000000, -0.0015653400000000, -0.0005677800000000 ] - [ 0.0001464000000000, -0.0000393700000000, -0.0000116000000000 ] - [ -0.0001438100000000, 0.0000503000000000, -0.0000684600000000 ] - [ -0.0003250000000000, 0.0006520100000000, 0.0000664300000000 ] - [ 0.0004730300000000, 0.0000346000000000, -0.0001503300000000 ] - [ 0.0020474900000000, 0.0019659300000000, -0.0004043200000000 ] - [ 0.0003554200000000, 0.0007496200000000, -0.0004065400000000 ] - [ 0.0006642000000000, 0.0005802800000000, -0.0004463700000000 ] - [ -0.0002205400000000, 0.0002992700000000, -0.0001545300000000 ] - [ -0.0007512700000000, 0.0005336700000000, 0.0005396900000000 ] - [ -0.0002352800000000, -0.0012294500000000, 0.0005694700000000 ] - [ -0.0005418900000000, -0.0006013300000000, 0.0007477800000000 ] - [ 0.0029139600000000, 0.0042500600000000, -0.0036156300000000 ] - [ 0.0005179900000000, -0.0005218000000000, -0.0006742500000000 ] - [ -0.0002107200000000, -0.0000302800000000, -0.0004369600000000 ] - [ 0.0013880700000000, -0.0005400300000000, 0.0005083500000000 ] - [ 0.0000456900000000, 0.0000811200000000, 0.0006828600000000 ] - [ -0.0000045900000000, -0.0000168500000000, 0.0003319600000000 ] - [ -0.0018395500000000, -0.0067655100000000, -0.0138189700000000 ] - [ 0.0000880800000000, -0.0000712500000000, 0.0006929700000000 ] - [ -0.0007599800000000, 0.0004084600000000, 0.0002200800000000 ] - [ -0.0013341200000000, 0.0007909400000000, -0.0007806700000000 ] - [ -0.0004659000000000, -0.0005848600000000, 0.0002577900000000 ] - [ -0.0009966900000000, -0.0004926800000000, 0.0004036400000000 ] - [ -0.0012870200000000, 0.0022243400000000, -0.0006195400000000 ] - [ 0.0003983700000000, -0.0002551800000000, -0.0002069800000000 ] - [ -0.0003220500000000, -0.0002794800000000, 0.0003919600000000 ] - [ 0.0000042900000000, -0.0000933400000000, 0.0001806900000000 ] - [ -0.0014180800000000, 0.0016678400000000, -0.0003695200000000 ] - [ -0.0000631000000000, 0.0002636000000000, -0.0001538600000000 ] - [ 0.0001581900000000, 0.0001245600000000, -0.0000335300000000 ] - [ 0.0000296400000000, -0.0000472800000000, 0.0000586500000000 ] - [ 0.0035869900000000, -0.0013442000000000, -0.0017275300000000 ] - [ -0.0002142200000000, -0.0000013000000000, 0.0000894100000000 ] - [ -0.0007617700000000, -0.0001667000000000, 0.0003349600000000 ] - [ -0.0004196900000000, -0.0003367500000000, 0.0001721800000000 ] - [ 0.0018118200000000, 0.0020256800000000, 0.0019352400000000 ] - [ -0.0001491200000000, 0.0000480600000000, -0.0004274000000000 ] - [ -0.0007527600000000, 0.0003267700000000, 0.0003199900000000 ] - [ 0.0008296800000000, 0.0004331900000000, -0.0001680300000000 ] - [ 0.0004717400000000, 0.0012759300000000, 0.0000609400000000 ] - [ 0.0004111900000000, 0.0002057700000000, -0.0000252200000000 ] - [ -0.0004820000000000, 0.0257006200000000, 0.0285923000000000 ] - [ -0.0006774600000000, -0.0001360200000000, 0.0002080600000000 ] - [ 0.0293534100000000, -0.0788285700000000, -0.0904841400000000 ] - [ -0.0002677300000000, 0.0001961900000000, -0.0006249600000000 ] - [ 0.0002045300000000, 0.0004302100000000, 0.0015697400000000 ] - [ 0.0000532200000000, 0.0002737800000000, 0.0009805400000000 ] - [ 0.0000429700000000, -0.0002369200000000, 0.0007993100000000 ] - [ 0.0033357200000000, -0.0002046200000000, -0.0007803300000000 ] - [ -0.0005374400000000, -0.0003380200000000, -0.0000506500000000 ] - [ -0.0001190700000000, -0.0002817200000000, -0.0006730000000000 ] - [ 0.0020121700000000, -0.0033485500000000, -0.0043031500000000 ] - [ 0.0000485000000000, -0.0003867400000000, -0.0002976400000000 ] - [ 0.0000004800000000, -0.0001329400000000, 0.0004067800000000 ] - [ -0.0000824900000000, 0.0007591900000000, 0.0011002200000000 ] - [ -0.0001914100000000, 0.0005205800000000, 0.0002373500000000 ] - [ -0.0004639900000000, 0.0012400200000000, 0.0001167200000000 ] - [ -0.0002739900000000, 0.0000698200000000, -0.0000645700000000 ] - [ 0.0002121000000000, 0.0002056900000000, -0.0002537500000000 ] - [ -0.0012795900000000, -0.0049451600000000, -0.0034811300000000 ] - [ -0.0006316600000000, -0.0005117200000000, -0.0005857700000000 ] - [ 0.0003823700000000, -0.0002486600000000, 0.0005315200000000 ] - [ 0.0004836300000000, -0.0002645600000000, 0.0005532400000000 ] - [ 0.0000047800000000, -0.0000109000000000, 0.0008464100000000 ] - [ 0.0002578600000000, 0.0000375100000000, 0.0006979700000000 ] - [ -0.0005654300000000, 0.0001952100000000, 0.0001354600000000 ] - [ -0.0001957800000000, 0.0002092500000000, -0.0002732600000000 ] - [ -0.0005340500000000, 0.0001055000000000, 0.0002877300000000 ] - [ 0.0045966300000000, 0.0032586400000000, 0.0062834300000000 ] - [ 0.0002426200000000, 0.0001617500000000, -0.0002318900000000 ] - [ 0.0004908500000000, 0.0000252400000000, -0.0002069400000000 ] - [ -0.0021059200000000, -0.0112217100000000, 0.0010673900000000 ] - [ 0.0001801900000000, -0.0002889300000000, -0.0003035700000000 ] - [ 0.0005844700000000, -0.0000409700000000, 0.0006151900000000 ] - [ -0.0008346500000000, 0.0000599100000000, 0.0003692900000000 ] - [ -0.0015479100000000, 0.0019684700000000, 0.0057595200000000 ] - [ 0.0003770300000000, 0.0000620100000000, 0.0000224400000000 ] - [ -0.0003972300000000, 0.0000476300000000, 0.0001024700000000 ] - [ 0.0000122600000000, 0.0009157500000000, -0.0016848500000000 ] - [ -0.0002313900000000, -0.0002190900000000, -0.0002884900000000 ] - [ -0.0007733600000000, -0.0001324200000000, 0.0001036400000000 ] - [ -0.0006039900000000, 0.0005506800000000, 0.0005643200000000 ] - [ 0.0004270300000000, 0.0000004500000000, -0.0000072700000000 ] - [ -0.0061031700000000, 0.0051857700000000, 0.0009766900000000 ] - [ -0.0001850800000000, -0.0006672600000000, -0.0000774300000000 ] - [ 0.0001518700000000, -0.0007828900000000, 0.0002050900000000 ] - [ 0.0001661000000000, -0.0007125600000000, -0.0000432700000000 ] - [ 0.0004409400000000, -0.0001768500000000, -0.0003019100000000 ] - [ -0.0002938800000000, 0.0005904700000000, -0.0001812300000000 ] - [ -0.0000478900000000, 0.0010036300000000, 0.0002376300000000 ] - [ 0.0001559900000000, 0.0009429900000000, 0.0001562900000000 ] - [ -0.0003290300000000, 0.0020318600000000, -0.0032296200000000 ] - [ 0.0000108200000000, -0.0001581900000000, 0.0003918600000000 ] - [ -0.0001122100000000, -0.0001280700000000, -0.0007282800000000 ] - [ 0.0000925100000000, 0.0000250300000000, 0.0012124100000000 ] - [ -0.0001764600000000, 0.0002175700000000, -0.0005685900000000 ] - [ -0.0007242200000000, 0.0005214800000000, -0.0012835900000000 ] - [ -0.0009471900000000, 0.0006088700000000, -0.0006254100000000 ] - [ 0.0001970700000000, 0.0001863000000000, 0.0000640300000000 ] - [ -0.0004685700000000, 0.0009646400000000, -0.0010935500000000 ] - [ -0.0004503900000000, 0.0005923100000000, -0.0003610200000000 ] - [ 0.0048558700000000, -0.0057185900000000, 0.0052749400000000 ] - [ 0.0004306300000000, 0.0002383600000000, 0.0003373500000000 ] - [ -0.0025345800000000, 0.0032335200000000, 0.0033411700000000 ] - [ 0.0001850100000000, -0.0001836400000000, 0.0000543800000000 ] - [ 0.0003254300000000, 0.0003016300000000, -0.0009272300000000 ] - [ -0.0000541000000000, 0.0004413600000000, -0.0003521000000000 ] - [ 0.0002291900000000, 0.0000736300000000, 0.0002304600000000 ] - [ -0.0073198800000000, -0.0013915100000000, -0.0001296200000000 ] - [ -0.0016375000000000, -0.0022719200000000, -0.0016631000000000 ] - [ 0.0004315400000000, -0.0002934400000000, 0.0000137200000000 ] - [ -0.0154454300000000, 0.0624886200000000, 0.0505274800000000 ] - [ 0.0002162400000000, 0.0000674200000000, -0.0004621000000000 ] - [ 0.0000066700000000, 0.0004801000000000, -0.0008173800000000 ] - [ 0.0010412700000000, 0.0003537200000000, -0.0013893400000000 ] - [ 0.0018676100000000, -0.0018333300000000, 0.0013569000000000 ] - [ -0.0002732700000000, -0.0001388900000000, 0.0008609100000000 ] - [ 0.0010130400000000, -0.0023162400000000, -0.0018286800000000 ] - [ -0.0006958600000000, -0.0003059500000000, 0.0006948800000000 ] - [ 0.0005764800000000, -0.0000008300000000, -0.0007759800000000 ] - [ 0.0012706400000000, -0.0007690600000000, 0.0055297500000000 ] - [ 0.0003712100000000, -0.0007306000000000, -0.0002199500000000 ] - [ 0.0001639800000000, -0.0005247300000000, -0.0002317300000000 ] - [ -0.0044344000000000, 0.0156434400000000, 0.0096658400000000 ] - [ 0.0003411800000000, 0.0005463900000000, 0.0005478800000000 ] - [ 0.0008771800000000, 0.0001491500000000, -0.0009632200000000 ] - [ -0.0009797100000000, 0.0000512800000000, -0.0012600000000000 ] - [ 0.0008132900000000, -0.0012366500000000, 0.0002943100000000 ] - [ 0.0007223200000000, -0.0021021400000000, 0.0014622000000000 ] - [ 0.0006212000000000, 0.0003349700000000, 0.0021042400000000 ] - [ 0.0003020900000000, 0.0005826800000000, -0.0007495600000000 ] - [ -0.0107426000000000, -0.0154956200000000, 0.0041075100000000 ] - [ 0.0000484300000000, 0.0003407200000000, -0.0003621600000000 ] - [ 0.0013730700000000, -0.0007519600000000, -0.0008129100000000 ] - [ -0.0006274400000000, -0.0003095200000000, 0.0002741000000000 ] - [ 0.0007711200000000, 0.0002275100000000, 0.0000107000000000 ] - [ 0.0001004400000000, 0.0014859600000000, 0.0028827100000000 ] - [ -0.0000609700000000, 0.0003413400000000, -0.0012681600000000 ] - [ -0.0004492600000000, -0.0006199400000000, -0.0004586100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000129700000000, -0.0000501600000000, -0.0000161500000000 ] - [ -0.0014933100000000, -0.0001351000000000, 0.0002315600000000 ] - [ -0.0000013100000000, 0.0000317800000000, 0.0001160200000000 ] - [ 0.0002146300000000, 0.0001168200000000, -0.0000325800000000 ] - [ 0.0001907400000000, 0.0015424500000000, 0.0005911000000000 ] - [ 0.0000723000000000, 0.0000164800000000, 0.0000286500000000 ] - [ -0.0000748400000000, -0.0000717500000000, 0.0000517000000000 ] - [ 0.0001053500000000, -0.0006727000000000, -0.0000848100000000 ] - [ 0.0007321300000000, 0.0000123500000000, -0.0002014200000000 ] - [ -0.0008482800000000, -0.0019217900000000, 0.0000543300000000 ] - [ 0.0008468700000000, 0.0002164700000000, -0.0009364300000000 ] - [ 0.0005379600000000, 0.0003849500000000, -0.0008963700000000 ] - [ -0.0009800000000000, 0.0006614900000000, 0.0014922700000000 ] - [ -0.0004543100000000, 0.0004266600000000, 0.0008058000000000 ] - [ -0.0009643200000000, 0.0002577100000000, 0.0007657300000000 ] - [ -0.0006580500000000, -0.0003648500000000, 0.0005930500000000 ] - [ -0.0016991900000000, -0.0052002100000000, 0.0022652300000000 ] - [ 0.0006836100000000, -0.0004418400000000, -0.0006671500000000 ] - [ 0.0000834700000000, 0.0000253600000000, -0.0005714100000000 ] - [ -0.0015197000000000, 0.0005364100000000, -0.0015171100000000 ] - [ 0.0000802600000000, -0.0000889400000000, 0.0003201800000000 ] - [ 0.0001291600000000, 0.0000098700000000, 0.0006720200000000 ] - [ 0.0019957800000000, 0.0068132800000000, 0.0147679600000000 ] - [ 0.0000397400000000, 0.0000776000000000, 0.0003134300000000 ] - [ -0.0002457100000000, 0.0002316600000000, 0.0001688400000000 ] - [ 0.0003236500000000, -0.0001507200000000, 0.0011632200000000 ] - [ -0.0005517900000000, -0.0000596900000000, 0.0001311700000000 ] - [ -0.0000068600000000, -0.0001477500000000, -0.0000160100000000 ] - [ 0.0022770500000000, -0.0028587500000000, 0.0002330400000000 ] - [ 0.0006117200000000, -0.0003857500000000, -0.0001823200000000 ] - [ 0.0003528300000000, 0.0004668500000000, -0.0002767300000000 ] - [ 0.0000272300000000, 0.0002820600000000, -0.0000654400000000 ] - [ 0.0013998000000000, -0.0014856600000000, 0.0002503700000000 ] - [ 0.0000286800000000, -0.0000719100000000, 0.0000400900000000 ] - [ -0.0001843400000000, -0.0003056500000000, -0.0000872800000000 ] - [ -0.0000578900000000, -0.0001391400000000, -0.0001754300000000 ] - [ -0.0035349500000000, 0.0011453900000000, 0.0018352300000000 ] - [ 0.0002462000000000, -0.0001889300000000, 0.0000268700000000 ] - [ -0.0004416000000000, 0.0002100600000000, 0.0000157000000000 ] - [ -0.0007845000000000, 0.0003819900000000, 0.0001786700000000 ] - [ -0.0019255100000000, -0.0020059800000000, -0.0029196000000000 ] - [ 0.0000224500000000, -0.0000410500000000, -0.0005787300000000 ] - [ 0.0017585400000000, 0.0003165100000000, -0.0007081500000000 ] - [ 0.0001745200000000, 0.0002077900000000, -0.0002218400000000 ] - [ 0.0007269300000000, -0.0013056900000000, -0.0004086400000000 ] - [ 0.0007926600000000, -0.0002490600000000, -0.0003261200000000 ] - [ -0.0007391200000000, -0.0253094500000000, -0.0276876200000000 ] - [ -0.0005250800000000, 0.0000912200000000, 0.0001426500000000 ] - [ -0.0298335400000000, 0.0795085200000000, 0.0887991100000000 ] - [ -0.0001320300000000, 0.0002247900000000, -0.0008125300000000 ] - [ 0.0001949700000000, -0.0000071500000000, -0.0001257400000000 ] - [ 0.0003484200000000, 0.0001481500000000, 0.0004545800000000 ] - [ 0.0003594500000000, -0.0001836300000000, 0.0006353100000000 ] - [ -0.0029614200000000, -0.0002149200000000, 0.0022248300000000 ] - [ 0.0001365200000000, -0.0000834600000000, -0.0013861600000000 ] - [ -0.0002819000000000, -0.0001392600000000, -0.0007635300000000 ] - [ -0.0018069000000000, 0.0025841600000000, 0.0036235800000000 ] - [ 0.0001544100000000, -0.0003492600000000, -0.0003796400000000 ] - [ -0.0002036700000000, -0.0006006600000000, 0.0002701600000000 ] - [ -0.0001177900000000, -0.0014878500000000, -0.0004241800000000 ] - [ -0.0000096500000000, 0.0002146900000000, 0.0004404900000000 ] - [ 0.0002531100000000, -0.0004930000000000, 0.0005641500000000 ] - [ 0.0004789100000000, 0.0006608200000000, -0.0006170500000000 ] - [ -0.0000106100000000, 0.0005285800000000, -0.0004233000000000 ] - [ 0.0004057200000000, 0.0041682800000000, 0.0026248000000000 ] - [ -0.0002145100000000, -0.0002507900000000, -0.0002742300000000 ] - [ 0.0004631600000000, -0.0005106700000000, 0.0003288200000000 ] - [ 0.0003645400000000, -0.0004973000000000, 0.0003081800000000 ] - [ 0.0001459700000000, 0.0002992800000000, -0.0000800500000000 ] - [ -0.0001091900000000, 0.0002513300000000, 0.0000706900000000 ] - [ -0.0002820100000000, 0.0005651400000000, -0.0009967300000000 ] - [ -0.0006502100000000, 0.0005528300000000, -0.0005885600000000 ] - [ -0.0001281000000000, 0.0001977800000000, 0.0002699100000000 ] - [ -0.0052780400000000, -0.0029694500000000, -0.0057845200000000 ] - [ 0.0004224200000000, 0.0001392100000000, -0.0003261700000000 ] - [ 0.0001710400000000, 0.0002779900000000, -0.0003507600000000 ] - [ 0.0028551200000000, 0.0108934800000000, -0.0017101800000000 ] - [ 0.0004863500000000, -0.0000125600000000, -0.0002541600000000 ] - [ -0.0012436200000000, -0.0002595700000000, -0.0000545900000000 ] - [ 0.0001708700000000, -0.0003617700000000, 0.0001885700000000 ] - [ 0.0021706500000000, -0.0017956900000000, -0.0055653400000000 ] - [ 0.0002604600000000, 0.0001100800000000, 0.0001625500000000 ] - [ -0.0002408100000000, 0.0001248200000000, -0.0002889100000000 ] - [ -0.0006482500000000, -0.0007470100000000, 0.0014877300000000 ] - [ -0.0004077400000000, 0.0000481100000000, 0.0001036700000000 ] - [ 0.0001451500000000, -0.0000364200000000, -0.0002961600000000 ] - [ 0.0012347100000000, -0.0007256900000000, -0.0003711200000000 ] - [ 0.0002124400000000, -0.0001717100000000, 0.0001935200000000 ] - [ 0.0059462000000000, -0.0066224000000000, -0.0010483900000000 ] - [ -0.0000053500000000, -0.0007574500000000, 0.0000543000000000 ] - [ 0.0000366600000000, -0.0006448600000000, -0.0001826000000000 ] - [ 0.0000252200000000, -0.0007137000000000, 0.0000676200000000 ] - [ -0.0002499900000000, 0.0015999800000000, 0.0003229900000000 ] - [ 0.0004917800000000, 0.0008305600000000, 0.0002115300000000 ] - [ -0.0001411000000000, 0.0004245000000000, -0.0002609300000000 ] - [ -0.0003449600000000, 0.0004834300000000, -0.0001801800000000 ] - [ 0.0004763700000000, -0.0022944700000000, 0.0039714700000000 ] - [ 0.0001402600000000, -0.0001298500000000, 0.0003786400000000 ] - [ -0.0000432100000000, -0.0001573200000000, -0.0000523800000000 ] - [ -0.0002417900000000, -0.0003114900000000, -0.0019802800000000 ] - [ 0.0000276500000000, 0.0000710100000000, -0.0002005700000000 ] - [ 0.0005674400000000, -0.0002329000000000, 0.0005128700000000 ] - [ 0.0018033400000000, 0.0001596400000000, 0.0014906500000000 ] - [ 0.0006557600000000, 0.0005817700000000, 0.0008035600000000 ] - [ -0.0002593300000000, -0.0004836700000000, 0.0007531600000000 ] - [ -0.0002784300000000, -0.0001185100000000, 0.0000178300000000 ] - [ -0.0041525300000000, 0.0061911100000000, -0.0049343900000000 ] - [ 0.0002964800000000, 0.0002292900000000, 0.0000017300000000 ] - [ 0.0018089800000000, -0.0036776800000000, -0.0036594200000000 ] - [ -0.0009132400000000, -0.0002807900000000, -0.0004059200000000 ] - [ -0.0001028400000000, -0.0001546300000000, 0.0002614100000000 ] - [ 0.0002791200000000, -0.0002968600000000, -0.0003150800000000 ] - [ -0.0004533700000000, 0.0000671300000000, 0.0004405000000000 ] - [ 0.0071191100000000, 0.0015339400000000, 0.0007958500000000 ] - [ 0.0014074700000000, 0.0021111900000000, 0.0023143200000000 ] - [ -0.0006546600000000, 0.0001492500000000, 0.0006555600000000 ] - [ 0.0158130200000000, -0.0634912500000000, -0.0516112800000000 ] - [ 0.0000034400000000, -0.0002095200000000, -0.0002053800000000 ] - [ 0.0007034500000000, -0.0002920000000000, -0.0005195300000000 ] - [ -0.0003468200000000, -0.0001605500000000, 0.0000630900000000 ] - [ -0.0025422300000000, 0.0020177100000000, -0.0000299200000000 ] - [ -0.0004327000000000, 0.0003264800000000, 0.0004744400000000 ] - [ -0.0017126900000000, 0.0021078300000000, 0.0031529100000000 ] - [ -0.0000022300000000, 0.0001166300000000, 0.0006452600000000 ] - [ 0.0001240500000000, -0.0001857700000000, -0.0005595800000000 ] - [ -0.0005710800000000, 0.0006111300000000, -0.0068228500000000 ] - [ 0.0003510700000000, 0.0002517900000000, 0.0005678000000000 ] - [ 0.0005598900000000, 0.0000514900000000, 0.0005773200000000 ] - [ 0.0045635100000000, -0.0145513800000000, -0.0083236700000000 ] - [ -0.0001054800000000, 0.0003694600000000, 0.0004630100000000 ] - [ -0.0013675200000000, -0.0009129400000000, 0.0004210000000000 ] - [ 0.0004906100000000, -0.0008154100000000, 0.0007174300000000 ] - [ -0.0003286300000000, 0.0004768700000000, 0.0002561300000000 ] - [ -0.0002179600000000, 0.0013390500000000, -0.0009137200000000 ] - [ -0.0001019500000000, 0.0004156800000000, -0.0015126500000000 ] - [ 0.0001837000000000, 0.0001815700000000, 0.0012951500000000 ] - [ 0.0102033600000000, 0.0162108200000000, -0.0046423700000000 ] - [ -0.0005428000000000, 0.0004246300000000, -0.0001845900000000 ] - [ -0.0011316400000000, -0.0001577000000000, 0.0018208800000000 ] - [ 0.0008619300000000, -0.0006033600000000, 0.0007363700000000 ] - [ -0.0010155600000000, -0.0011457300000000, -0.0010244100000000 ] - [ -0.0003660200000000, -0.0024514200000000, -0.0039359000000000 ] - [ -0.0001723200000000, 0.0005735100000000, 0.0002542700000000 ] - [ 0.0002075600000000, 0.0015352800000000, -0.0005476100000000 ]- atom: 49 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ 0.0001480100000000, 0.0002804900000000, 0.0008410600000000 ] - [ 0.0040033300000000, -0.0042330300000000, -0.0005285900000000 ] - [ 0.0011166300000000, 0.0007159900000000, -0.0009356100000000 ] - [ -0.0007009200000000, -0.0000191300000000, 0.0003109200000000 ] - [ -0.0006785200000000, -0.0026150000000000, -0.0005451700000000 ] - [ 0.0005987000000000, -0.0000189800000000, -0.0002686400000000 ] - [ -0.0002866800000000, -0.0001606400000000, -0.0006017700000000 ] - [ 0.0003374900000000, 0.0022070700000000, -0.0029114000000000 ] - [ -0.0007343400000000, -0.0010110500000000, 0.0002197700000000 ] - [ 0.0051561300000000, 0.0027388800000000, -0.0020624500000000 ] - [ -0.0021376200000000, 0.0022708600000000, 0.0019726300000000 ] - [ 0.0018110000000000, -0.0000868700000000, -0.0004808800000000 ] - [ -0.0041948700000000, -0.0045370300000000, 0.0001100800000000 ] - [ 0.0000646400000000, 0.0022553600000000, -0.0011362000000000 ] - [ -0.0029832800000000, 0.0026599200000000, 0.0054412600000000 ] - [ -0.0004189000000000, -0.0002881500000000, 0.0016697800000000 ] - [ 0.0047145100000000, 0.0072542500000000, -0.0080295700000000 ] - [ -0.0006491700000000, -0.0017737300000000, -0.0003664000000000 ] - [ -0.0010740900000000, -0.0001347900000000, 0.0004815300000000 ] - [ 0.0040794500000000, -0.0007066900000000, 0.0000600600000000 ] - [ -0.0005707600000000, 0.0001654700000000, 0.0019290900000000 ] - [ 0.0008657900000000, 0.0001044300000000, 0.0005510500000000 ] - [ 0.0118634400000000, -0.0076937100000000, 0.0514858900000000 ] - [ -0.0001142600000000, -0.0003482200000000, 0.0016452500000000 ] - [ -0.0032827100000000, 0.0009751900000000, 0.0005849200000000 ] - [ 0.0054608000000000, -0.0026780800000000, -0.0019651600000000 ] - [ 0.0063741800000000, 0.0012440500000000, 0.0004574100000000 ] - [ -0.0044250300000000, -0.0010969400000000, 0.0018038700000000 ] - [ 0.0012972000000000, 0.0002369300000000, -0.0021636700000000 ] - [ -0.0009109100000000, 0.0001325800000000, -0.0002645600000000 ] - [ -0.0032272600000000, -0.0014425300000000, 0.0026169900000000 ] - [ 0.0016799500000000, 0.0006183500000000, 0.0005386500000000 ] - [ -0.0037006800000000, 0.0030893200000000, -0.0008045800000000 ] - [ 0.0009287900000000, -0.0011412500000000, -0.0013396300000000 ] - [ -0.0032310900000000, -0.0030544100000000, 0.0033685300000000 ] - [ 0.0003060500000000, -0.0002165200000000, 0.0006095800000000 ] - [ 0.0059144900000000, -0.0062011100000000, -0.0071466500000000 ] - [ -0.0019379000000000, 0.0013031800000000, 0.0002303700000000 ] - [ -0.0026291400000000, 0.0002298000000000, 0.0018376500000000 ] - [ 0.0003902400000000, -0.0006422400000000, 0.0001966800000000 ] - [ 0.0018832500000000, 0.0006536200000000, -0.0004957900000000 ] - [ -0.0004777700000000, 0.0003273400000000, 0.0005334400000000 ] - [ -0.0066976300000000, 0.0003817400000000, 0.0027042600000000 ] - [ 0.0032724700000000, 0.0008907900000000, 0.0003851300000000 ] - [ 0.0033861500000000, -0.0039562200000000, 0.0000924100000000 ] - [ -0.0005544400000000, 0.0007316500000000, 0.0010011500000000 ] - [ 0.0082932900000000, 0.0359103700000000, 0.0159509500000000 ] - [ -0.0013255800000000, -0.0006930700000000, 0.0004868900000000 ] - [ 0.1750032600000000, -0.0922379200000000, -0.4386934800000000 ] - [ -0.0011553300000000, 0.0003261700000000, 0.0005553400000000 ] - [ 0.0004129300000000, -0.0004800500000000, 0.0020266200000000 ] - [ -0.0013537500000000, -0.0000901800000000, 0.0040678400000000 ] - [ -0.0008825200000000, -0.0000527600000000, 0.0013673100000000 ] - [ 0.0049499300000000, -0.0032329100000000, -0.0109746100000000 ] - [ -0.0026004600000000, -0.0009482900000000, 0.0037653500000000 ] - [ 0.0005888300000000, -0.0002010100000000, -0.0010152600000000 ] - [ 0.0051623000000000, -0.0186673700000000, 0.0069601400000000 ] - [ -0.0006872800000000, 0.0000964600000000, 0.0000167900000000 ] - [ 0.0001574600000000, -0.0006795500000000, 0.0012872500000000 ] - [ -0.0001764700000000, 0.0042567300000000, 0.0033410500000000 ] - [ -0.0005690400000000, 0.0010710300000000, -0.0004153800000000 ] - [ -0.0004185000000000, -0.0025582500000000, -0.0001753900000000 ] - [ -0.0020581400000000, 0.0007728100000000, 0.0021382100000000 ] - [ 0.0017255400000000, 0.0012911800000000, -0.0008115700000000 ] - [ -0.0265506200000000, -0.0142982400000000, -0.0066323100000000 ] - [ -0.0022279000000000, -0.0006218000000000, -0.0017320900000000 ] - [ 0.0004945100000000, -0.0011259500000000, 0.0018958900000000 ] - [ 0.0020891000000000, -0.0011495800000000, 0.0018515300000000 ] - [ -0.0004505900000000, -0.0003151900000000, 0.0041833700000000 ] - [ 0.0022011500000000, -0.0002178800000000, 0.0018870600000000 ] - [ -0.0020402600000000, 0.0012597200000000, 0.0008239200000000 ] - [ 0.0013606100000000, -0.0003995500000000, 0.0007200700000000 ] - [ -0.0024206900000000, -0.0004553700000000, 0.0004111800000000 ] - [ 0.0180344500000000, 0.0117700600000000, 0.0068206800000000 ] - [ -0.0017674600000000, -0.0002004600000000, 0.0010961800000000 ] - [ 0.0017498100000000, -0.0003282200000000, 0.0000813900000000 ] - [ -0.0466797100000000, -0.0014004400000000, 0.0276279300000000 ] - [ -0.0012655900000000, -0.0006820500000000, -0.0005548900000000 ] - [ 0.0028102100000000, -0.0014262800000000, 0.0005421600000000 ] - [ -0.0030253400000000, 0.0005357300000000, 0.0009992900000000 ] - [ -0.0090555500000000, 0.0092376600000000, 0.0294260200000000 ] - [ 0.0003179300000000, 0.0004757900000000, 0.0017580200000000 ] - [ -0.0011455800000000, -0.0003828100000000, 0.0013651200000000 ] - [ 0.0004785300000000, -0.0020296700000000, 0.0001294800000000 ] - [ 0.0014206500000000, -0.0008729600000000, -0.0025377400000000 ] - [ -0.0048154500000000, 0.0000857800000000, 0.0045103300000000 ] - [ -0.0008214200000000, 0.0009571600000000, 0.0010215300000000 ] - [ 0.0004993900000000, 0.0001828200000000, -0.0008209300000000 ] - [ -0.0120068000000000, 0.0170490900000000, -0.0053836600000000 ] - [ -0.0011109400000000, -0.0006578300000000, -0.0006713100000000 ] - [ 0.0003990200000000, 0.0004318000000000, 0.0016381500000000 ] - [ 0.0015663800000000, -0.0003450100000000, 0.0019716200000000 ] - [ -0.0034116500000000, 0.0009271900000000, -0.0041764900000000 ] - [ -0.0049445800000000, 0.0036516300000000, -0.0029951200000000 ] - [ -0.0012032300000000, 0.0002696700000000, 0.0009961300000000 ] - [ 0.0011622800000000, 0.0013476500000000, 0.0006385300000000 ] - [ 0.0001667900000000, -0.0032281100000000, -0.0087988100000000 ] - [ -0.0006735300000000, -0.0002152800000000, 0.0003950400000000 ] - [ 0.0025835500000000, -0.0011454500000000, 0.0060894900000000 ] - [ 0.0007861600000000, 0.0008760800000000, 0.0084329900000000 ] - [ -0.0012619000000000, -0.0001316100000000, -0.0018873300000000 ] - [ -0.0009128600000000, -0.0004310700000000, -0.0044184100000000 ] - [ -0.0031237100000000, 0.0005099900000000, -0.0033598800000000 ] - [ -0.0044207000000000, -0.0028716400000000, -0.0026685300000000 ] - [ 0.0032437300000000, -0.0020879600000000, -0.0063958400000000 ] - [ -0.0030748900000000, 0.0000495800000000, -0.0027436900000000 ] - [ 0.0106620800000000, -0.0107668800000000, 0.0133908300000000 ] - [ 0.0025954400000000, 0.0032774500000000, 0.0027082200000000 ] - [ 0.0098953100000000, 0.0169998000000000, 0.0169400600000000 ] - [ 0.0036206600000000, -0.0035781100000000, 0.0034056800000000 ] - [ 0.0037219800000000, 0.0007323900000000, -0.0049639900000000 ] - [ -0.0019180400000000, 0.0004398000000000, -0.0005164100000000 ] - [ 0.0027829100000000, 0.0005910000000000, -0.0007169000000000 ] - [ -0.0214571300000000, -0.0012525700000000, 0.0098621700000000 ] - [ -0.0038280300000000, 0.0029426700000000, -0.0011616000000000 ] - [ 0.0030268700000000, -0.0006307200000000, -0.0029711400000000 ] - [ -0.0858445200000000, 0.0478578600000000, 0.2305817600000000 ] - [ 0.0017331100000000, 0.0006004100000000, -0.0015582000000000 ] - [ -0.0070072500000000, 0.0006452500000000, 0.0002850900000000 ] - [ 0.0060685900000000, -0.0011279700000000, -0.0073286400000000 ] - [ 0.0005549400000000, 0.0016877900000000, 0.0047689700000000 ] - [ 0.0011975500000000, -0.0003844800000000, 0.0022303100000000 ] - [ 0.0072598600000000, -0.0130595200000000, -0.0129917600000000 ] - [ -0.0033151600000000, 0.0005559600000000, -0.0032061500000000 ] - [ 0.0032296000000000, 0.0001498000000000, -0.0016472100000000 ] - [ -0.0082832500000000, 0.0154800500000000, 0.0082430000000000 ] - [ 0.0044046100000000, 0.0010121400000000, -0.0049978300000000 ] - [ -0.0019578900000000, 0.0002940700000000, -0.0015119900000000 ] - [ -0.0407264500000000, 0.0100141900000000, 0.0722881700000000 ] - [ 0.0030719900000000, 0.0004756600000000, -0.0002159700000000 ] - [ 0.0077182200000000, 0.0011655500000000, -0.0063706700000000 ] - [ -0.0052969100000000, -0.0003884600000000, -0.0024496800000000 ] - [ 0.0061257800000000, 0.0003258600000000, -0.0011891600000000 ] - [ -0.0046582300000000, -0.0005751500000000, 0.0052273000000000 ] - [ -0.0095602400000000, 0.0052350600000000, -0.0212517100000000 ] - [ 0.0015638200000000, 0.0015426800000000, -0.0058939100000000 ] - [ -0.0195711400000000, -0.0155367100000000, 0.0174297700000000 ] - [ 0.0026057200000000, 0.0002055800000000, -0.0014576400000000 ] - [ 0.0049606400000000, -0.0019941400000000, -0.0043785600000000 ] - [ -0.0035088600000000, -0.0003885900000000, 0.0002328300000000 ] - [ 0.0035974300000000, -0.0015149100000000, 0.0036823100000000 ] - [ 0.0199956500000000, 0.0154024000000000, 0.0117841500000000 ] - [ -0.0009178100000000, 0.0008059700000000, -0.0033710000000000 ] - [ -0.0005963000000000, -0.0011325600000000, -0.0059572800000000 ]- atom: 49 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0003646900000000, -0.0002589700000000, -0.0008606000000000 ] - [ -0.0042434000000000, 0.0042472700000000, 0.0005175800000000 ] - [ -0.0009024300000000, -0.0006903500000000, 0.0009569200000000 ] - [ 0.0009240100000000, 0.0000413000000000, -0.0002935900000000 ] - [ 0.0009104400000000, 0.0026101600000000, 0.0005502700000000 ] - [ -0.0003823000000000, -0.0000035600000000, 0.0002869400000000 ] - [ 0.0000667700000000, 0.0001382200000000, 0.0005861000000000 ] - [ -0.0005512500000000, -0.0022560800000000, 0.0029081400000000 ] - [ 0.0019417500000000, 0.0010572900000000, -0.0005689500000000 ] - [ -0.0039706500000000, -0.0027055800000000, 0.0017219600000000 ] - [ 0.0033536500000000, -0.0013164800000000, -0.0033253800000000 ] - [ -0.0006186400000000, 0.0010570700000000, -0.0008570600000000 ] - [ 0.0030056500000000, 0.0055341800000000, 0.0012466900000000 ] - [ -0.0012584800000000, -0.0012867600000000, 0.0024749300000000 ] - [ 0.0017876700000000, -0.0036304600000000, -0.0041228500000000 ] - [ -0.0007905000000000, -0.0006725100000000, -0.0003294700000000 ] - [ -0.0035402800000000, -0.0082587900000000, 0.0067318500000000 ] - [ 0.0018539200000000, 0.0008102700000000, -0.0009787800000000 ] - [ 0.0009566500000000, 0.0001248300000000, -0.0014814500000000 ] - [ -0.0042165700000000, 0.0007025000000000, -0.0010509900000000 ] - [ 0.0007018900000000, -0.0001685700000000, -0.0009212400000000 ] - [ -0.0007364900000000, -0.0001090900000000, 0.0004612300000000 ] - [ -0.0115450000000000, 0.0076668500000000, -0.0501382100000000 ] - [ 0.0002363600000000, 0.0003586100000000, -0.0006511600000000 ] - [ 0.0022826500000000, -0.0003357900000000, -0.0001961700000000 ] - [ -0.0064846800000000, 0.0033166400000000, 0.0023811500000000 ] - [ -0.0073959500000000, -0.0018845800000000, -0.0000748400000000 ] - [ 0.0034224800000000, 0.0004601900000000, -0.0014205000000000 ] - [ -0.0002776500000000, -0.0008751600000000, 0.0017709000000000 ] - [ 0.0019196600000000, -0.0007740500000000, -0.0001243000000000 ] - [ 0.0032749000000000, 0.0016403700000000, -0.0025115900000000 ] - [ -0.0016624700000000, -0.0004345400000000, -0.0004198800000000 ] - [ 0.0036777900000000, -0.0029082200000000, 0.0007006300000000 ] - [ -0.0009519600000000, 0.0013257200000000, 0.0012213000000000 ] - [ 0.0032102000000000, 0.0028735400000000, -0.0034979500000000 ] - [ -0.0003457200000000, 0.0000244200000000, -0.0007258700000000 ] - [ -0.0059500900000000, 0.0060348900000000, 0.0073106600000000 ] - [ 0.0019738500000000, -0.0014934900000000, -0.0001184000000000 ] - [ 0.0014351600000000, -0.0001778300000000, -0.0014928700000000 ] - [ -0.0015957900000000, 0.0006899300000000, 0.0001561900000000 ] - [ -0.0020210800000000, -0.0006557900000000, -0.0005202900000000 ] - [ 0.0003498500000000, -0.0003240900000000, -0.0015470800000000 ] - [ 0.0077625200000000, 0.0002497300000000, -0.0031140400000000 ] - [ -0.0022677500000000, -0.0002508600000000, -0.0007748600000000 ] - [ -0.0021868000000000, 0.0039135600000000, -0.0004516900000000 ] - [ 0.0017608300000000, -0.0007836100000000, -0.0013580600000000 ] - [ -0.0093714200000000, -0.0358332600000000, -0.0155916500000000 ] - [ 0.0001229200000000, 0.0006506700000000, -0.0001382500000000 ] - [ -0.1733319300000000, 0.0886938300000000, 0.4246075800000000 ] - [ 0.0007570600000000, 0.0000944500000000, -0.0019982500000000 ] - [ -0.0000113100000000, 0.0009027600000000, -0.0005999900000000 ] - [ 0.0017571600000000, 0.0005100000000000, -0.0026401300000000 ] - [ 0.0012828100000000, -0.0003685800000000, 0.0000764700000000 ] - [ -0.0044992300000000, 0.0028416500000000, 0.0124254900000000 ] - [ 0.0022097900000000, 0.0005326400000000, -0.0052198600000000 ] - [ -0.0009928700000000, -0.0002201700000000, -0.0004179900000000 ] - [ -0.0050523000000000, 0.0181093200000000, -0.0076461600000000 ] - [ 0.0008923700000000, -0.0008329100000000, -0.0006952600000000 ] - [ -0.0003597400000000, -0.0000557100000000, -0.0006121500000000 ] - [ -0.0000331900000000, -0.0050437400000000, -0.0026787600000000 ] - [ 0.0003648200000000, -0.0003355000000000, 0.0010949400000000 ] - [ 0.0002326900000000, 0.0032784700000000, 0.0008477800000000 ] - [ 0.0022670300000000, -0.0000263800000000, -0.0028189200000000 ] - [ -0.0015293700000000, -0.0005593800000000, 0.0001337200000000 ] - [ 0.0260127500000000, 0.0137036500000000, 0.0058982800000000 ] - [ 0.0013847900000000, -0.0001382900000000, 0.0008696300000000 ] - [ 0.0003576400000000, 0.0003621200000000, -0.0010364000000000 ] - [ -0.0012528300000000, 0.0003905400000000, -0.0009945200000000 ] - [ 0.0006047300000000, 0.0006065900000000, -0.0034217700000000 ] - [ -0.0020570100000000, 0.0005070500000000, -0.0011211400000000 ] - [ 0.0012015900000000, -0.0004990200000000, -0.0016922700000000 ] - [ -0.0022199000000000, 0.0011670900000000, -0.0015877700000000 ] - [ 0.0017661600000000, 0.0007594100000000, 0.0001478000000000 ] - [ -0.0188546900000000, -0.0115437300000000, -0.0062356800000000 ] - [ 0.0024358000000000, 0.0005089100000000, -0.0016579500000000 ] - [ -0.0010863300000000, 0.0006318600000000, -0.0006393900000000 ] - [ 0.0465190900000000, 0.0011497800000000, -0.0276230800000000 ] - [ 0.0019281700000000, 0.0003792600000000, -0.0000031400000000 ] - [ -0.0034863500000000, 0.0011269600000000, 0.0000123200000000 ] - [ 0.0023719100000000, -0.0008421700000000, -0.0004450600000000 ] - [ 0.0098046600000000, -0.0091355800000000, -0.0296393200000000 ] - [ 0.0003212300000000, -0.0003047400000000, -0.0015757600000000 ] - [ 0.0005106100000000, 0.0005566000000000, -0.0015567000000000 ] - [ -0.0011298900000000, 0.0022084300000000, -0.0002856300000000 ] - [ -0.0020659400000000, 0.0007017600000000, 0.0023562100000000 ] - [ 0.0041696200000000, -0.0002657900000000, -0.0046917400000000 ] - [ 0.0014765600000000, -0.0011306600000000, -0.0008516400000000 ] - [ 0.0001363900000000, -0.0003556500000000, 0.0010099600000000 ] - [ 0.0118796400000000, -0.0186380200000000, 0.0054739600000000 ] - [ 0.0009229800000000, -0.0007697800000000, 0.0006465300000000 ] - [ -0.0002064100000000, -0.0018580300000000, -0.0016187300000000 ] - [ -0.0013865300000000, -0.0010814800000000, -0.0019537000000000 ] - [ 0.0036155300000000, 0.0005028700000000, 0.0042313100000000 ] - [ 0.0051356600000000, -0.0022188400000000, 0.0030087100000000 ] - [ 0.0010183700000000, 0.0011558600000000, -0.0010245300000000 ] - [ -0.0013608400000000, 0.0000737900000000, -0.0006657600000000 ] - [ -0.0000202700000000, 0.0029089300000000, 0.0096287100000000 ] - [ 0.0008260400000000, -0.0000726700000000, 0.0003743700000000 ] - [ -0.0027372300000000, 0.0008607100000000, -0.0068666200000000 ] - [ -0.0009484200000000, -0.0011780500000000, -0.0092775400000000 ] - [ 0.0011139600000000, 0.0004214600000000, 0.0011249500000000 ] - [ 0.0007728000000000, 0.0007176500000000, 0.0036542300000000 ] - [ 0.0039682800000000, 0.0002542600000000, 0.0042439400000000 ] - [ 0.0052648900000000, 0.0036287400000000, 0.0035225500000000 ] - [ -0.0039900400000000, 0.0025639700000000, 0.0060766700000000 ] - [ 0.0023715600000000, 0.0004194900000000, 0.0024056800000000 ] - [ -0.0099619200000000, 0.0112777200000000, -0.0131440500000000 ] - [ -0.0018798100000000, -0.0028025000000000, -0.0023581400000000 ] - [ -0.0106204500000000, -0.0176039100000000, -0.0174454800000000 ] - [ -0.0043611900000000, 0.0031013500000000, -0.0037420000000000 ] - [ -0.0035140500000000, -0.0006047100000000, 0.0043109400000000 ] - [ 0.0021409100000000, -0.0003000300000000, -0.0001569900000000 ] - [ -0.0030192300000000, -0.0004445300000000, 0.0013757100000000 ] - [ 0.0212922200000000, 0.0013651200000000, -0.0092892300000000 ] - [ 0.0036220700000000, -0.0030867600000000, 0.0018470800000000 ] - [ -0.0032590000000000, 0.0004960500000000, 0.0036527200000000 ] - [ 0.0813190100000000, -0.0429548300000000, -0.2133242800000000 ] - [ -0.0015080600000000, -0.0007483900000000, 0.0008991100000000 ] - [ 0.0077328400000000, -0.0004577400000000, -0.0016179500000000 ] - [ -0.0053740300000000, 0.0013042900000000, 0.0060021400000000 ] - [ -0.0012960200000000, -0.0014954400000000, -0.0034209100000000 ] - [ -0.0018993700000000, 0.0005715000000000, -0.0009012700000000 ] - [ -0.0080101500000000, 0.0129923500000000, 0.0144342100000000 ] - [ 0.0026155100000000, -0.0007437000000000, 0.0045519200000000 ] - [ -0.0025372200000000, -0.0003387200000000, 0.0003151000000000 ] - [ 0.0090316300000000, -0.0157069000000000, -0.0097388800000000 ] - [ -0.0036991500000000, -0.0014813400000000, 0.0053600500000000 ] - [ 0.0027028700000000, -0.0007672200000000, 0.0018582600000000 ] - [ 0.0438739000000000, -0.0103866200000000, -0.0772867200000000 ] - [ -0.0028461500000000, 0.0004388700000000, 0.0012307300000000 ] - [ -0.0082622500000000, -0.0019420400000000, 0.0058411700000000 ] - [ 0.0048207300000000, -0.0003755300000000, 0.0018926100000000 ] - [ -0.0056476000000000, -0.0010956800000000, 0.0017283600000000 ] - [ 0.0051300900000000, -0.0001798700000000, -0.0046985500000000 ] - [ 0.0100783700000000, -0.0044969700000000, 0.0218618300000000 ] - [ -0.0010592900000000, -0.0007810400000000, 0.0064803400000000 ] - [ 0.0191543800000000, 0.0164011200000000, -0.0179682200000000 ] - [ -0.0031041800000000, 0.0005583000000000, 0.0009187600000000 ] - [ -0.0047518100000000, 0.0010752600000000, 0.0054151700000000 ] - [ 0.0037659000000000, -0.0005266300000000, 0.0007819600000000 ] - [ -0.0038234900000000, 0.0006086200000000, -0.0047077400000000 ] - [ -0.0202397500000000, -0.0162401200000000, -0.0126859700000000 ] - [ 0.0006742500000000, 0.0001094200000000, 0.0023707100000000 ] - [ 0.0003774600000000, 0.0020656100000000, 0.0049535700000000 ]- atom: 57 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0004107400000000, -0.0001659500000000, -0.0004826100000000 ] - [ -0.0000551400000000, -0.0001919400000000, 0.0006402900000000 ] - [ 0.0000100300000000, 0.0000187000000000, 0.0003976500000000 ] - [ 0.0001015700000000, 0.0000896000000000, -0.0002916300000000 ] - [ 0.0013519200000000, 0.0014038400000000, 0.0002685000000000 ] - [ -0.0003213400000000, -0.0000056300000000, -0.0000616400000000 ] - [ -0.0004511000000000, -0.0000759200000000, -0.0000538100000000 ] - [ 0.0058815800000000, -0.0018161000000000, -0.0015649500000000 ] - [ 0.0012843400000000, 0.0005407600000000, -0.0002426600000000 ] - [ -0.0009430700000000, -0.0040777700000000, 0.0000433700000000 ] - [ 0.0012617300000000, -0.0001267400000000, -0.0012192600000000 ] - [ 0.0000274900000000, 0.0010586600000000, -0.0000088300000000 ] - [ 0.0014508100000000, 0.0025884000000000, 0.0007607600000000 ] - [ 0.0021540300000000, 0.0027059600000000, -0.0012828100000000 ] - [ -0.0003747600000000, -0.0005142000000000, 0.0005891100000000 ] - [ -0.0013831400000000, 0.0000185700000000, 0.0010970200000000 ] - [ -0.0008627000000000, -0.0024229400000000, 0.0006427200000000 ] - [ 0.0016646000000000, -0.0000021200000000, -0.0015046700000000 ] - [ 0.0005311900000000, -0.0001529600000000, -0.0004514100000000 ] - [ -0.0004009000000000, 0.0002093300000000, -0.0000034400000000 ] - [ 0.0006319600000000, 0.0002130800000000, 0.0003499200000000 ] - [ 0.0024548100000000, 0.0009625300000000, 0.0037435000000000 ] - [ -0.0001610800000000, 0.0000388500000000, 0.0009526400000000 ] - [ 0.0001833500000000, 0.0000971500000000, 0.0002525600000000 ] - [ 0.0010665400000000, -0.0000213200000000, 0.0001305800000000 ] - [ 0.0327406300000000, -0.0342926300000000, -0.0100396200000000 ] - [ -0.0004121200000000, -0.0002887200000000, 0.0005278600000000 ] - [ -0.0003618000000000, -0.0002818900000000, -0.0002207700000000 ] - [ -0.0011783500000000, -0.0000161300000000, -0.0007276900000000 ] - [ 0.0014354300000000, -0.0006050200000000, -0.0001105100000000 ] - [ 0.0008166000000000, 0.0005499800000000, -0.0003682100000000 ] - [ -0.0004745500000000, 0.0000420800000000, 0.0015041800000000 ] - [ 0.0011499000000000, -0.0007053300000000, 0.0001771600000000 ] - [ 0.0035821000000000, -0.0029906200000000, -0.0020246600000000 ] - [ 0.0001858700000000, -0.0001116100000000, -0.0002014600000000 ] - [ -0.0005616900000000, -0.0003342700000000, 0.0001799500000000 ] - [ -0.0017671100000000, 0.0023374000000000, 0.0021309100000000 ] - [ 0.0012941600000000, -0.0004074100000000, -0.0008428600000000 ] - [ 0.0004608600000000, -0.0001962200000000, -0.0006266300000000 ] - [ -0.0002332200000000, 0.0007099100000000, 0.0009156300000000 ] - [ -0.0002878700000000, 0.0000373200000000, -0.0003803800000000 ] - [ -0.0001286800000000, -0.0001929100000000, -0.0010012000000000 ] - [ 0.0021456300000000, -0.0000796300000000, -0.0012899800000000 ] - [ 0.0011694400000000, 0.0004387000000000, 0.0000155000000000 ] - [ 0.0006392400000000, -0.0001513100000000, 0.0000016300000000 ] - [ 0.0006474400000000, -0.0002165000000000, -0.0004807400000000 ] - [ -0.0011667600000000, 0.0006958000000000, 0.0002777400000000 ] - [ -0.0001223000000000, 0.0003916200000000, 0.0000613800000000 ] - [ -0.0045850000000000, 0.0021266900000000, 0.0024545800000000 ] - [ 0.0003780000000000, 0.0001575700000000, -0.0012762600000000 ] - [ 0.0002473700000000, 0.0001085000000000, 0.0010642400000000 ] - [ -0.0001058200000000, 0.0001908000000000, 0.0004308000000000 ] - [ 0.0007574000000000, -0.0003018800000000, 0.0005381400000000 ] - [ -0.0002692300000000, -0.0005690300000000, -0.0000107700000000 ] - [ 0.0008372400000000, 0.0001662600000000, -0.0026320400000000 ] - [ -0.0004223900000000, -0.0003217800000000, 0.0011077000000000 ] - [ -0.1158867800000000, 0.1246818500000000, 0.0264220600000000 ] - [ 0.0006983900000000, -0.0007747800000000, -0.0003033900000000 ] - [ 0.0002515700000000, -0.0002339400000000, 0.0005080900000000 ] - [ -0.0012099900000000, -0.0038759000000000, -0.0004582200000000 ] - [ 0.0002756000000000, -0.0001551800000000, 0.0007708700000000 ] - [ -0.0002247800000000, -0.0001910700000000, -0.0005728400000000 ] - [ 0.0001979900000000, 0.0004000700000000, -0.0008676100000000 ] - [ 0.0001766600000000, 0.0006059900000000, 0.0002540300000000 ] - [ 0.0087485300000000, -0.0008076700000000, 0.0084497800000000 ] - [ 0.0009065700000000, 0.0004717700000000, -0.0002043000000000 ] - [ 0.0009792800000000, -0.0006923700000000, 0.0005867900000000 ] - [ -0.0004608000000000, -0.0002183000000000, 0.0003638100000000 ] - [ -0.0000260600000000, 0.0002527200000000, -0.0007695700000000 ] - [ 0.0004645500000000, 0.0001070500000000, 0.0016409500000000 ] - [ -0.0002829600000000, 0.0004895300000000, -0.0006297300000000 ] - [ -0.0005806300000000, 0.0001849800000000, -0.0000557300000000 ] - [ 0.0010326100000000, 0.0005570800000000, 0.0003844200000000 ] - [ -0.0065324700000000, -0.0013321200000000, -0.0007321200000000 ] - [ 0.0010272000000000, 0.0027620400000000, -0.0027589800000000 ] - [ 0.0018932500000000, -0.0000380500000000, 0.0002980500000000 ] - [ -0.0011419000000000, -0.0003195100000000, -0.0003175000000000 ] - [ 0.0014216400000000, 0.0001920300000000, -0.0000842200000000 ] - [ -0.0002022800000000, -0.0003216900000000, 0.0005732300000000 ] - [ -0.0003105800000000, -0.0000969800000000, -0.0000539400000000 ] - [ 0.0036097900000000, -0.0091779600000000, -0.0077837100000000 ] - [ 0.0006576900000000, 0.0000892500000000, 0.0001496900000000 ] - [ 0.0002231000000000, 0.0002024100000000, -0.0002843300000000 ] - [ -0.0099368600000000, -0.0024223600000000, 0.0014574700000000 ] - [ -0.0004210600000000, 0.0001470600000000, 0.0009944800000000 ] - [ -0.0000886500000000, -0.0004422000000000, -0.0011810300000000 ] - [ 0.0004090400000000, 0.0003507600000000, -0.0016618200000000 ] - [ 0.0003626400000000, -0.0002646800000000, 0.0008864200000000 ] - [ 0.0038855300000000, -0.0078918100000000, 0.0022723500000000 ] - [ 0.0011144400000000, -0.0015553600000000, 0.0001221400000000 ] - [ 0.0006246500000000, -0.0003713100000000, 0.0001840000000000 ] - [ -0.0017445200000000, -0.0011736300000000, 0.0005425000000000 ] - [ 0.0022975800000000, 0.0003884800000000, 0.0021125500000000 ] - [ 0.0001477100000000, 0.0014121100000000, -0.0007894100000000 ] - [ -0.0000334400000000, 0.0006149600000000, -0.0003230500000000 ] - [ -0.0001945100000000, 0.0007050100000000, 0.0002727400000000 ] - [ -0.0107345200000000, -0.0012620500000000, -0.0016755600000000 ] - [ 0.0006767000000000, -0.0000689200000000, 0.0007191600000000 ] - [ 0.0002843600000000, -0.0002447100000000, 0.0002177300000000 ] - [ -0.0006740000000000, -0.0005456500000000, -0.0030780700000000 ] - [ 0.0006302300000000, 0.0003304700000000, 0.0006308900000000 ] - [ -0.0008028400000000, -0.0012422900000000, -0.0048151000000000 ] - [ 0.0014656500000000, 0.0001056200000000, 0.0015038700000000 ] - [ 0.0004202700000000, -0.0001273900000000, -0.0002403500000000 ] - [ -0.0012116000000000, -0.0002495500000000, 0.0001462700000000 ] - [ 0.0015369100000000, 0.0006449900000000, -0.0019382900000000 ] - [ -0.0012522900000000, 0.0030481400000000, -0.0036310400000000 ] - [ -0.0021201100000000, 0.0014813800000000, 0.0021228400000000 ] - [ -0.0058210100000000, -0.0070933500000000, -0.0077304500000000 ] - [ -0.0029404000000000, -0.0023723000000000, 0.0021337800000000 ] - [ -0.0024314000000000, -0.0005287000000000, 0.0016531500000000 ] - [ -0.0023512100000000, -0.0013799100000000, -0.0036390600000000 ] - [ -0.0018326800000000, -0.0000691100000000, 0.0004074400000000 ] - [ 0.0039949500000000, 0.0022196200000000, 0.0009707600000000 ] - [ -0.0002577200000000, 0.0000736200000000, -0.0002853000000000 ] - [ -0.0001158500000000, 0.0002287000000000, 0.0011442100000000 ] - [ 0.0022665500000000, -0.0009462900000000, -0.0023583100000000 ] - [ -0.0010308100000000, -0.0004586400000000, 0.0000897600000000 ] - [ 0.0001350800000000, -0.0002202800000000, -0.0022653800000000 ] - [ 0.0001531300000000, 0.0002684700000000, 0.0009194700000000 ] - [ 0.0016440100000000, 0.0007465300000000, 0.0048471300000000 ] - [ -0.0014425400000000, 0.0004793700000000, -0.0003987400000000 ] - [ -0.0016174100000000, 0.0047039800000000, 0.0063205200000000 ] - [ -0.0013364400000000, -0.0000456800000000, 0.0001376800000000 ] - [ -0.0015160900000000, -0.0000432500000000, -0.0007213900000000 ] - [ 0.0811918700000000, -0.0656917300000000, -0.0217894200000000 ] - [ -0.0002729900000000, 0.0003627100000000, 0.0006933200000000 ] - [ 0.0012827000000000, -0.0004758100000000, -0.0006263300000000 ] - [ 0.0176031700000000, -0.0081738400000000, 0.0052478600000000 ] - [ -0.0021333700000000, 0.0005306500000000, 0.0002270700000000 ] - [ -0.0025629400000000, -0.0001460900000000, 0.0013332900000000 ] - [ -0.0009021400000000, -0.0016360100000000, -0.0026612200000000 ] - [ -0.0027182400000000, -0.0013845500000000, 0.0003274800000000 ] - [ -0.0129446400000000, 0.0094990600000000, 0.0034252400000000 ] - [ -0.0000277900000000, 0.0005417500000000, -0.0003988800000000 ] - [ 0.0012078000000000, 0.0000820800000000, 0.0017971700000000 ] - [ 0.0043802600000000, -0.0003647200000000, 0.0016048700000000 ] - [ -0.0021676000000000, 0.0003894400000000, 0.0004480600000000 ] - [ -0.0005857900000000, -0.0007788500000000, 0.0027437500000000 ] - [ 0.0002956900000000, -0.0002699400000000, -0.0014290700000000 ] - [ -0.0022561900000000, 0.0005074800000000, -0.0022593300000000 ] - [ 0.0003960100000000, -0.0000459600000000, 0.0014300800000000 ] - [ -0.0015917100000000, 0.0007151400000000, -0.0010460500000000 ] - [ 0.0048568600000000, 0.0003864500000000, -0.0015250200000000 ]- atom: 57 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ 0.0001920600000000, 0.0001881100000000, 0.0004638900000000 ] - [ -0.0001659700000000, 0.0002154600000000, -0.0006590800000000 ] - [ 0.0002091100000000, 0.0000045300000000, -0.0003803500000000 ] - [ 0.0001180900000000, -0.0000662800000000, 0.0003085600000000 ] - [ -0.0011275700000000, -0.0014044600000000, -0.0002477500000000 ] - [ 0.0005406800000000, -0.0000175700000000, 0.0000796300000000 ] - [ 0.0002328300000000, 0.0000538900000000, 0.0000363800000000 ] - [ -0.0060326500000000, 0.0017538400000000, 0.0013420400000000 ] - [ -0.0000811700000000, -0.0004956700000000, -0.0001076700000000 ] - [ 0.0021642200000000, 0.0041434200000000, -0.0003971100000000 ] - [ -0.0000583400000000, 0.0010902800000000, -0.0001244100000000 ] - [ 0.0011780300000000, -0.0000974000000000, -0.0013342900000000 ] - [ -0.0026458500000000, -0.0016125300000000, 0.0005839400000000 ] - [ -0.0033681600000000, -0.0017541700000000, 0.0026352500000000 ] - [ -0.0008254600000000, -0.0004523300000000, 0.0007502200000000 ] - [ 0.0001811800000000, -0.0009789400000000, 0.0002481000000000 ] - [ 0.0020471500000000, 0.0014478600000000, -0.0019870400000000 ] - [ -0.0004667500000000, -0.0009641600000000, 0.0001664300000000 ] - [ -0.0006569700000000, 0.0001456400000000, -0.0005545400000000 ] - [ 0.0002777500000000, -0.0002168300000000, -0.0010023400000000 ] - [ -0.0005042000000000, -0.0002175800000000, 0.0006564100000000 ] - [ -0.0023388600000000, -0.0009750400000000, -0.0027565700000000 ] - [ 0.0002858100000000, -0.0000284300000000, 0.0000443800000000 ] - [ -0.0000561400000000, -0.0000915700000000, 0.0007555300000000 ] - [ -0.0020746900000000, 0.0006629100000000, 0.0002586700000000 ] - [ -0.0343944400000000, 0.0355435800000000, 0.0106129700000000 ] - [ -0.0005974600000000, -0.0003528900000000, -0.0001392700000000 ] - [ -0.0006475500000000, -0.0003596400000000, 0.0006094900000000 ] - [ 0.0022095200000000, -0.0006319300000000, 0.0003277800000000 ] - [ -0.0004290500000000, -0.0000356000000000, -0.0002778900000000 ] - [ -0.0007842200000000, -0.0003611000000000, 0.0004826500000000 ] - [ 0.0005104900000000, 0.0001481800000000, -0.0013911300000000 ] - [ -0.0011892600000000, 0.0008967000000000, -0.0002887800000000 ] - [ -0.0036303700000000, 0.0031994200000000, 0.0019187000000000 ] - [ -0.0002144200000000, -0.0000757200000000, 0.0000836300000000 ] - [ 0.0005303800000000, 0.0001431600000000, -0.0002935700000000 ] - [ 0.0017723700000000, -0.0025038700000000, -0.0020050500000000 ] - [ -0.0012676300000000, 0.0002193100000000, 0.0009625100000000 ] - [ -0.0016611100000000, 0.0002416100000000, 0.0009736200000000 ] - [ -0.0009699000000000, -0.0006698400000000, -0.0005677000000000 ] - [ 0.0001532500000000, -0.0000375800000000, -0.0006432900000000 ] - [ 0.0000028300000000, 0.0002004500000000, -0.0000001700000000 ] - [ -0.0011367600000000, 0.0007154300000000, 0.0008980900000000 ] - [ -0.0001612800000000, 0.0002027900000000, -0.0004055900000000 ] - [ 0.0005636800000000, 0.0001035100000000, -0.0003550400000000 ] - [ 0.0005555700000000, 0.0001704100000000, 0.0001311800000000 ] - [ -0.0000321600000000, -0.0007280700000000, 0.0000635000000000 ] - [ -0.0010817200000000, -0.0004373300000000, 0.0002902300000000 ] - [ 0.0041754600000000, -0.0016829500000000, -0.0039005200000000 ] - [ -0.0007794000000000, 0.0002635200000000, -0.0001587100000000 ] - [ 0.0001543300000000, 0.0003127700000000, 0.0003653900000000 ] - [ 0.0004984500000000, 0.0002279200000000, 0.0010203000000000 ] - [ -0.0003569300000000, -0.0001198300000000, 0.0008999000000000 ] - [ 0.0006741700000000, 0.0001486700000000, 0.0014476900000000 ] - [ -0.0012353500000000, -0.0005861200000000, 0.0011905200000000 ] - [ 0.0000234100000000, -0.0000989600000000, -0.0025527500000000 ] - [ 0.1162323200000000, -0.1270555200000000, -0.0275821600000000 ] - [ -0.0004965200000000, 0.0000402600000000, -0.0003739800000000 ] - [ -0.0004545600000000, -0.0005012400000000, 0.0001678600000000 ] - [ 0.0009942600000000, 0.0031106200000000, 0.0011395300000000 ] - [ -0.0004783800000000, 0.0008897100000000, -0.0000924200000000 ] - [ 0.0000274100000000, 0.0009256900000000, 0.0012534600000000 ] - [ 0.0000050300000000, 0.0003358500000000, 0.0001898200000000 ] - [ 0.0000258600000000, 0.0001301500000000, -0.0009310900000000 ] - [ -0.0094915300000000, 0.0000053300000000, -0.0092066200000000 ] - [ -0.0017577900000000, -0.0012374400000000, -0.0006577500000000 ] - [ -0.0001320800000000, -0.0000696300000000, 0.0002740800000000 ] - [ 0.0013161200000000, -0.0005503500000000, 0.0005065700000000 ] - [ 0.0001764700000000, 0.0000356300000000, 0.0015375000000000 ] - [ -0.0003138200000000, 0.0001811700000000, -0.0008721100000000 ] - [ -0.0005639300000000, 0.0002730700000000, -0.0002337300000000 ] - [ -0.0002610000000000, 0.0005771800000000, -0.0008035000000000 ] - [ -0.0016965000000000, -0.0002551000000000, 0.0001734900000000 ] - [ 0.0058779900000000, 0.0016475200000000, 0.0012817500000000 ] - [ -0.0003633500000000, -0.0024331300000000, 0.0021765000000000 ] - [ -0.0012348100000000, 0.0003409500000000, -0.0008585900000000 ] - [ 0.0018140800000000, 0.0000208400000000, -0.0002397000000000 ] - [ -0.0007568100000000, -0.0004954800000000, -0.0004727500000000 ] - [ -0.0004644600000000, 0.0000194600000000, -0.0000175100000000 ] - [ -0.0003553900000000, -0.0002050200000000, 0.0006126100000000 ] - [ -0.0029588400000000, 0.0092705000000000, 0.0079144100000000 ] - [ -0.0000196300000000, 0.0000819200000000, 0.0000348000000000 ] - [ -0.0008613400000000, -0.0000301400000000, 0.0000965700000000 ] - [ 0.0093359800000000, 0.0024561700000000, -0.0016089000000000 ] - [ -0.0002174700000000, -0.0003197100000000, -0.0011796100000000 ] - [ -0.0005487600000000, 0.0002700300000000, 0.0009946900000000 ] - [ 0.0002344600000000, -0.0005212900000000, 0.0018491200000000 ] - [ 0.0002752400000000, 0.0000931700000000, -0.0006987700000000 ] - [ -0.0040719500000000, 0.0064687300000000, -0.0023160000000000 ] - [ -0.0013090100000000, 0.0001325400000000, -0.0001461100000000 ] - [ -0.0004351800000000, -0.0010542900000000, -0.0001613500000000 ] - [ 0.0019428100000000, -0.0002507500000000, -0.0004931000000000 ] - [ -0.0020962000000000, 0.0010395800000000, -0.0020753900000000 ] - [ 0.0000445700000000, 0.0000089800000000, 0.0008173400000000 ] - [ -0.0001559600000000, 0.0008108700000000, 0.0002981700000000 ] - [ 0.0000069900000000, 0.0007208600000000, -0.0002952500000000 ] - [ 0.0109200000000000, 0.0008387200000000, 0.0023119300000000 ] - [ -0.0005265700000000, -0.0002193700000000, 0.0000512100000000 ] - [ -0.0004360300000000, -0.0000435600000000, -0.0009908000000000 ] - [ 0.0005218100000000, 0.0002527900000000, 0.0023040300000000 ] - [ -0.0007805200000000, -0.0000408900000000, -0.0013984400000000 ] - [ 0.0006645300000000, 0.0015378600000000, 0.0040726800000000 ] - [ -0.0006261400000000, 0.0006476200000000, -0.0006434800000000 ] - [ 0.0004305500000000, 0.0008940800000000, 0.0011075000000000 ] - [ 0.0004838500000000, 0.0007223900000000, -0.0004859300000000 ] - [ -0.0022800200000000, -0.0001846100000000, 0.0015857500000000 ] - [ 0.0020113100000000, -0.0025598300000000, 0.0039733000000000 ] - [ 0.0028535400000000, -0.0010151000000000, -0.0017882200000000 ] - [ 0.0050776600000000, 0.0065609600000000, 0.0073346300000000 ] - [ 0.0022223900000000, 0.0019107800000000, -0.0024896800000000 ] - [ 0.0026471800000000, 0.0006657100000000, -0.0023127400000000 ] - [ 0.0025821500000000, 0.0015322800000000, 0.0029869900000000 ] - [ 0.0016102200000000, 0.0002134300000000, 0.0002590800000000 ] - [ -0.0042462100000000, -0.0020865000000000, -0.0003044800000000 ] - [ 0.0000417100000000, -0.0002107300000000, 0.0009645000000000 ] - [ -0.0001040800000000, -0.0003705000000000, -0.0004855900000000 ] - [ -0.0020550400000000, 0.0007913100000000, 0.0017044200000000 ] - [ 0.0012529500000000, 0.0003164400000000, -0.0007603400000000 ] - [ 0.0005694600000000, 0.0004070800000000, 0.0009298900000000 ] - [ 0.0005502900000000, -0.0000815100000000, -0.0022534400000000 ] - [ -0.0023798400000000, -0.0005623800000000, -0.0035247500000000 ] - [ 0.0007413200000000, -0.0002920700000000, 0.0017321100000000 ] - [ 0.0009180500000000, -0.0048659700000000, -0.0049748800000000 ] - [ 0.0006345300000000, -0.0001416800000000, 0.0012018200000000 ] - [ 0.0022189100000000, -0.0001450700000000, -0.0006138800000000 ] - [ -0.0801774200000000, 0.0671342300000000, 0.0209621400000000 ] - [ 0.0009965100000000, -0.0008351600000000, -0.0003459100000000 ] - [ -0.0005651400000000, 0.0000119200000000, 0.0009643700000000 ] - [ -0.0174983900000000, 0.0089196000000000, -0.0041441400000000 ] - [ 0.0023741100000000, 0.0003845400000000, 0.0007847000000000 ] - [ 0.0020660900000000, -0.0006142600000000, -0.0018758100000000 ] - [ 0.0004040500000000, 0.0008762900000000, 0.0021198700000000 ] - [ 0.0032108100000000, 0.0006091300000000, 0.0002164100000000 ] - [ 0.0134762500000000, -0.0103225900000000, -0.0028996000000000 ] - [ 0.0005210200000000, 0.0002234600000000, 0.0009548900000000 ] - [ -0.0007121100000000, 0.0006833100000000, -0.0012520800000000 ] - [ -0.0048277500000000, 0.0011284900000000, -0.0020562500000000 ] - [ 0.0016797300000000, 0.0003741100000000, -0.0010004300000000 ] - [ 0.0008213500000000, -0.0001383500000000, -0.0017285500000000 ] - [ -0.0000618600000000, -0.0006482900000000, 0.0024424500000000 ] - [ 0.0020199000000000, -0.0014137500000000, 0.0012449900000000 ] - [ -0.0006433900000000, -0.0008691600000000, -0.0024447300000000 ] - [ 0.0013558200000000, 0.0001984500000000, 0.0000419800000000 ] - [ -0.0050508000000000, 0.0005297200000000, 0.0004436500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001719600000000, 0.0002887700000000, 0.0004519000000000 ] - [ -0.0002874400000000, 0.0007124400000000, -0.0003350700000000 ] - [ 0.0000828500000000, -0.0002358300000000, -0.0002286500000000 ] - [ 0.0001928800000000, -0.0002303200000000, 0.0003785700000000 ] - [ -0.0017227000000000, -0.0079273600000000, -0.0027719700000000 ] - [ 0.0004292800000000, -0.0000694700000000, 0.0000605100000000 ] - [ 0.0001047100000000, 0.0001129400000000, 0.0000118600000000 ] - [ -0.0014271300000000, 0.0083511200000000, -0.0009755200000000 ] - [ 0.0000668500000000, -0.0001674100000000, -0.0000336100000000 ] - [ 0.0032771300000000, 0.0071482100000000, 0.0000083800000000 ] - [ 0.0000785800000000, 0.0010555300000000, -0.0001730400000000 ] - [ -0.0000370100000000, 0.0016403100000000, -0.0003605500000000 ] - [ -0.0026574800000000, -0.0027582100000000, 0.0009553800000000 ] - [ -0.0029338400000000, -0.0015980800000000, 0.0022780200000000 ] - [ -0.0004638000000000, -0.0008806400000000, 0.0003849800000000 ] - [ -0.0002753600000000, -0.0017501900000000, 0.0000481100000000 ] - [ 0.0041128400000000, 0.0057735700000000, -0.0041692500000000 ] - [ -0.0000197800000000, -0.0005597100000000, -0.0002376300000000 ] - [ -0.0005996600000000, 0.0000451600000000, -0.0003115300000000 ] - [ 0.0030237100000000, 0.0002323600000000, 0.0011460400000000 ] - [ 0.0011717800000000, 0.0002870900000000, 0.0018910200000000 ] - [ -0.0021661700000000, -0.0009460800000000, -0.0021962700000000 ] - [ -0.0003316300000000, 0.0001785100000000, -0.0037702700000000 ] - [ -0.0001475600000000, 0.0000312700000000, 0.0004505400000000 ] - [ -0.0017149200000000, 0.0005972400000000, 0.0002914100000000 ] - [ -0.0279216300000000, 0.0153172200000000, 0.0081783900000000 ] - [ -0.0007962200000000, -0.0004873200000000, -0.0000916500000000 ] - [ -0.0003595800000000, -0.0004452300000000, 0.0004776800000000 ] - [ -0.0007180400000000, 0.0009273600000000, 0.0024238500000000 ] - [ -0.0003966500000000, -0.0000255200000000, -0.0003413900000000 ] - [ -0.0005015200000000, -0.0004390700000000, 0.0003873800000000 ] - [ -0.0003343100000000, -0.0011003000000000, 0.0005811900000000 ] - [ -0.0032156800000000, 0.0032478300000000, 0.0000311100000000 ] - [ -0.0029597600000000, 0.0027831900000000, 0.0014845400000000 ] - [ 0.0001771900000000, 0.0003133800000000, -0.0001174600000000 ] - [ 0.0005100000000000, 0.0010621100000000, -0.0007200400000000 ] - [ 0.0041663800000000, -0.0049175600000000, -0.0023662100000000 ] - [ -0.0007126700000000, -0.0001377100000000, 0.0006010200000000 ] - [ -0.0001781500000000, -0.0017081100000000, 0.0008051900000000 ] - [ -0.0005849400000000, -0.0011746700000000, -0.0002734300000000 ] - [ 0.0012725800000000, 0.0011196500000000, 0.0018916000000000 ] - [ -0.0002800200000000, -0.0000924900000000, -0.0013650000000000 ] - [ -0.0026457800000000, 0.0018583200000000, 0.0020121100000000 ] - [ 0.0004617400000000, 0.0004157200000000, -0.0002649500000000 ] - [ 0.0004078100000000, 0.0009921400000000, -0.0002126100000000 ] - [ 0.0004645400000000, 0.0010922900000000, -0.0003023200000000 ] - [ -0.0013240000000000, -0.0058586300000000, -0.0001868800000000 ] - [ -0.0010886500000000, -0.0005038300000000, 0.0001656600000000 ] - [ 0.0062829400000000, -0.0027144400000000, -0.0185249600000000 ] - [ -0.0006369500000000, 0.0001919500000000, -0.0004582000000000 ] - [ 0.0001223200000000, 0.0004438300000000, 0.0010472800000000 ] - [ 0.0023181500000000, 0.0013322900000000, -0.0034855900000000 ] - [ -0.0004814200000000, -0.0000581000000000, 0.0010959700000000 ] - [ 0.0029923900000000, 0.0006569100000000, -0.0008761300000000 ] - [ 0.0006694600000000, -0.0005071300000000, -0.0005851100000000 ] - [ -0.0002211300000000, -0.0003732700000000, -0.0018598600000000 ] - [ 0.1289940800000000, -0.3660793100000000, -0.0554619100000000 ] - [ -0.0003050300000000, -0.0001833100000000, -0.0003632400000000 ] - [ -0.0002340600000000, -0.0002029700000000, 0.0002320300000000 ] - [ 0.0033939200000000, 0.0099972700000000, 0.0012826800000000 ] - [ -0.0006212600000000, 0.0011436500000000, -0.0001852300000000 ] - [ -0.0006614100000000, 0.0022412500000000, 0.0008087000000000 ] - [ 0.0000686900000000, -0.0001811700000000, -0.0001650100000000 ] - [ -0.0001343200000000, -0.0002837700000000, -0.0008420500000000 ] - [ -0.0145050100000000, -0.0085590900000000, -0.0104910300000000 ] - [ -0.0012855700000000, -0.0011569000000000, -0.0005947900000000 ] - [ 0.0000921700000000, -0.0000416600000000, 0.0003501800000000 ] - [ -0.0019869300000000, 0.0020381300000000, -0.0022635300000000 ] - [ 0.0001995700000000, -0.0001730900000000, 0.0012784200000000 ] - [ -0.0001307500000000, 0.0001183000000000, -0.0001372100000000 ] - [ -0.0000088000000000, -0.0000817400000000, -0.0001279500000000 ] - [ -0.0011957500000000, 0.0001218400000000, -0.0010194800000000 ] - [ -0.0014404500000000, -0.0001388900000000, 0.0002297900000000 ] - [ 0.0115342000000000, 0.0129028100000000, 0.0008201500000000 ] - [ 0.0048673700000000, -0.0020016000000000, -0.0010517700000000 ] - [ -0.0008635300000000, 0.0001112900000000, -0.0006819200000000 ] - [ 0.0033571900000000, -0.0003700000000000, -0.0017670500000000 ] - [ -0.0009662200000000, -0.0006080400000000, -0.0005685400000000 ] - [ -0.0002807900000000, 0.0001769700000000, 0.0001419100000000 ] - [ 0.0003162200000000, -0.0001217000000000, 0.0000475400000000 ] - [ -0.0101483500000000, 0.0158602400000000, 0.0179636300000000 ] - [ 0.0001672700000000, 0.0000480000000000, -0.0000463900000000 ] - [ -0.0007255500000000, 0.0000022200000000, 0.0000882800000000 ] - [ -0.0023928000000000, 0.0481233200000000, -0.0174529900000000 ] - [ -0.0003097900000000, -0.0003064800000000, -0.0011006700000000 ] - [ -0.0000797200000000, 0.0000573100000000, -0.0000286300000000 ] - [ -0.0001284600000000, -0.0006600500000000, 0.0015641900000000 ] - [ 0.0002840200000000, 0.0001071200000000, -0.0007384500000000 ] - [ -0.0121586800000000, 0.0219843100000000, -0.0063903900000000 ] - [ -0.0009523900000000, 0.0000356900000000, -0.0001086600000000 ] - [ -0.0002375600000000, -0.0010886300000000, -0.0001041600000000 ] - [ -0.0010528300000000, -0.0038905100000000, -0.0027674900000000 ] - [ -0.0020223400000000, 0.0002668600000000, -0.0023083500000000 ] - [ 0.0005982300000000, -0.0003440800000000, 0.0006863100000000 ] - [ 0.0001962800000000, 0.0011848400000000, 0.0003788700000000 ] - [ -0.0007507700000000, 0.0008268000000000, -0.0006889000000000 ] - [ 0.0007568900000000, 0.0212335400000000, 0.0379310200000000 ] - [ -0.0004090400000000, -0.0002390900000000, -0.0000275100000000 ] - [ -0.0003232700000000, -0.0000030600000000, -0.0010665000000000 ] - [ 0.0006962900000000, 0.0014465700000000, 0.0039363900000000 ] - [ -0.0007265500000000, 0.0000829000000000, -0.0012148500000000 ] - [ -0.0004460500000000, 0.0014914800000000, 0.0026556500000000 ] - [ -0.0020076300000000, 0.0010367600000000, -0.0018210000000000 ] - [ 0.0011135200000000, 0.0012427300000000, 0.0010331000000000 ] - [ -0.0002534600000000, 0.0012352200000000, -0.0003556700000000 ] - [ 0.0018775500000000, 0.0035422300000000, 0.0012092300000000 ] - [ 0.0073888500000000, -0.0090974200000000, 0.0100733500000000 ] - [ 0.0018701900000000, -0.0014221300000000, -0.0013982400000000 ] - [ 0.0049535700000000, 0.0112160600000000, 0.0091535700000000 ] - [ 0.0011266800000000, 0.0022108200000000, -0.0021125600000000 ] - [ -0.0043929200000000, 0.0021334000000000, -0.0016693100000000 ] - [ 0.0021593000000000, 0.0022059600000000, 0.0020708400000000 ] - [ 0.0014442900000000, -0.0000440200000000, -0.0000409600000000 ] - [ -0.0140792800000000, -0.0080220300000000, 0.0006817400000000 ] - [ -0.0006443100000000, -0.0016103600000000, -0.0001179400000000 ] - [ -0.0008039900000000, -0.0012436900000000, 0.0027498300000000 ] - [ -0.0043464900000000, 0.0067280800000000, 0.0128432900000000 ] - [ 0.0013889300000000, 0.0003448100000000, -0.0003199200000000 ] - [ 0.0007520900000000, 0.0008075300000000, 0.0003999900000000 ] - [ 0.0001126900000000, 0.0006826700000000, -0.0015337500000000 ] - [ 0.0013893000000000, -0.0015089900000000, -0.0031695500000000 ] - [ 0.0007697000000000, -0.0005590100000000, 0.0017279000000000 ] - [ 0.0015698300000000, -0.0137280500000000, -0.0104124800000000 ] - [ -0.0000620300000000, -0.0003289000000000, 0.0011841900000000 ] - [ 0.0017107600000000, 0.0000068300000000, -0.0005610900000000 ] - [ -0.0703299200000000, 0.2179441600000000, 0.0474400800000000 ] - [ 0.0004042800000000, -0.0012711000000000, -0.0003554800000000 ] - [ 0.0023498100000000, -0.0034325500000000, 0.0021484000000000 ] - [ -0.0060619200000000, 0.0305274900000000, -0.0119093200000000 ] - [ 0.0016386000000000, 0.0005090600000000, 0.0008220100000000 ] - [ 0.0020198500000000, 0.0009546000000000, -0.0018040500000000 ] - [ -0.0010305800000000, 0.0002626500000000, -0.0015721200000000 ] - [ 0.0024427000000000, -0.0005647500000000, -0.0012430600000000 ] - [ 0.0126470100000000, -0.0097973200000000, -0.0016592100000000 ] - [ 0.0009025900000000, -0.0003686800000000, 0.0024599400000000 ] - [ -0.0010534000000000, 0.0001311900000000, -0.0016057400000000 ] - [ -0.0110955000000000, -0.0000988400000000, -0.0184032600000000 ] - [ 0.0013469000000000, 0.0005268400000000, 0.0000505500000000 ] - [ -0.0003855200000000, 0.0000865700000000, -0.0005476400000000 ] - [ 0.0006191100000000, -0.0000443300000000, 0.0023215300000000 ] - [ 0.0029893900000000, -0.0011120400000000, 0.0015569500000000 ] - [ -0.0029371700000000, -0.0018913700000000, 0.0003361700000000 ] - [ 0.0009966600000000, 0.0001679600000000, -0.0004807700000000 ] - [ -0.0089548400000000, -0.0037876300000000, 0.0202548300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003921400000000, -0.0002662000000000, -0.0004698500000000 ] - [ 0.0000699200000000, -0.0006921000000000, 0.0003211400000000 ] - [ 0.0001370400000000, 0.0002590600000000, 0.0002455600000000 ] - [ 0.0000260900000000, 0.0002535100000000, -0.0003646500000000 ] - [ 0.0019509500000000, 0.0079287800000000, 0.0027879700000000 ] - [ -0.0002115900000000, 0.0000463100000000, -0.0000445400000000 ] - [ -0.0003260500000000, -0.0001363700000000, -0.0000285200000000 ] - [ 0.0012558200000000, -0.0084191300000000, 0.0008931800000000 ] - [ 0.0011403900000000, 0.0002128400000000, -0.0003182300000000 ] - [ -0.0021034600000000, -0.0071504300000000, -0.0003588000000000 ] - [ 0.0011250500000000, -0.0000919500000000, -0.0011701100000000 ] - [ 0.0012342200000000, -0.0006671200000000, -0.0009792400000000 ] - [ 0.0014626900000000, 0.0037361000000000, 0.0003806700000000 ] - [ 0.0017411900000000, 0.0025695700000000, -0.0009436000000000 ] - [ -0.0007400300000000, -0.0000814500000000, 0.0009602600000000 ] - [ -0.0009369600000000, 0.0008033400000000, 0.0013098500000000 ] - [ -0.0029231000000000, -0.0067767000000000, 0.0028538800000000 ] - [ 0.0012237000000000, -0.0004050800000000, -0.0011070100000000 ] - [ 0.0004757900000000, -0.0000509400000000, -0.0006955200000000 ] - [ -0.0031733100000000, -0.0002189600000000, -0.0021706500000000 ] - [ -0.0010594300000000, -0.0003012600000000, -0.0008982800000000 ] - [ 0.0023019800000000, 0.0009389900000000, 0.0032100100000000 ] - [ 0.0004609900000000, -0.0001750700000000, 0.0048020800000000 ] - [ 0.0002744000000000, -0.0000235900000000, 0.0005555800000000 ] - [ 0.0007126400000000, 0.0000417300000000, 0.0000969700000000 ] - [ 0.0268714100000000, -0.0148004500000000, -0.0077308400000000 ] - [ -0.0002056700000000, -0.0001523000000000, 0.0004829300000000 ] - [ -0.0006503500000000, -0.0001942100000000, -0.0000897000000000 ] - [ 0.0017149500000000, -0.0015664900000000, -0.0028179100000000 ] - [ 0.0014076700000000, -0.0006174000000000, -0.0000471300000000 ] - [ 0.0005329500000000, 0.0006302500000000, -0.0002717600000000 ] - [ 0.0003849500000000, 0.0013022100000000, -0.0004461900000000 ] - [ 0.0032276600000000, -0.0030912900000000, -0.0001509000000000 ] - [ 0.0029414800000000, -0.0026075700000000, -0.0016086000000000 ] - [ -0.0002095700000000, -0.0005040200000000, 0.0000036500000000 ] - [ -0.0005425300000000, -0.0012469700000000, 0.0006029800000000 ] - [ -0.0041392500000000, 0.0047350300000000, 0.0024831500000000 ] - [ 0.0007470300000000, -0.0000515200000000, -0.0004888000000000 ] - [ -0.0010401300000000, 0.0017680100000000, -0.0004503100000000 ] - [ -0.0006133300000000, 0.0012216200000000, 0.0006269700000000 ] - [ -0.0013980500000000, -0.0011110000000000, -0.0028892800000000 ] - [ 0.0001525100000000, 0.0000976000000000, 0.0003560300000000 ] - [ 0.0036910500000000, -0.0012165700000000, -0.0024185400000000 ] - [ 0.0005520200000000, 0.0002279000000000, -0.0001235200000000 ] - [ 0.0007974700000000, -0.0010393400000000, -0.0001357700000000 ] - [ 0.0007379600000000, -0.0011367500000000, -0.0000506400000000 ] - [ 0.0001199700000000, 0.0058332600000000, 0.0005439800000000 ] - [ -0.0001130300000000, 0.0004599100000000, 0.0001854000000000 ] - [ -0.0067632000000000, 0.0032187600000000, 0.0172381400000000 ] - [ 0.0002385500000000, 0.0002293200000000, -0.0009797300000000 ] - [ 0.0002784900000000, -0.0000237300000000, 0.0003942400000000 ] - [ -0.0019106300000000, -0.0009148900000000, 0.0049081700000000 ] - [ 0.0008865800000000, -0.0003635000000000, 0.0003376800000000 ] - [ -0.0026138900000000, -0.0010755900000000, 0.0023229300000000 ] - [ -0.0010843100000000, 0.0000844400000000, -0.0008375700000000 ] - [ -0.0001781300000000, -0.0000497300000000, 0.0004294100000000 ] - [ -0.1230202000000000, 0.3536609600000000, 0.0482947000000000 ] - [ 0.0005091100000000, -0.0005524500000000, -0.0003137200000000 ] - [ 0.0000332600000000, -0.0005313200000000, 0.0004464500000000 ] - [ -0.0035901300000000, -0.0107498800000000, -0.0006297900000000 ] - [ 0.0004226600000000, -0.0004137900000000, 0.0008649400000000 ] - [ 0.0004573900000000, -0.0015120700000000, -0.0001335100000000 ] - [ 0.0001330300000000, 0.0009183000000000, -0.0005120200000000 ] - [ 0.0003397800000000, 0.0010221400000000, 0.0001680900000000 ] - [ 0.0137189100000000, 0.0079505900000000, 0.0096429100000000 ] - [ 0.0004418700000000, 0.0003980800000000, -0.0002669400000000 ] - [ 0.0007571000000000, -0.0007226100000000, 0.0005133200000000 ] - [ 0.0028211900000000, -0.0027984600000000, 0.0031117800000000 ] - [ -0.0000497700000000, 0.0004642200000000, -0.0005115300000000 ] - [ 0.0002868900000000, 0.0001712500000000, 0.0009155900000000 ] - [ -0.0008416500000000, 0.0008458400000000, -0.0007342100000000 ] - [ 0.0003675900000000, 0.0006308000000000, 0.0001752000000000 ] - [ 0.0007828200000000, 0.0004428800000000, 0.0003279300000000 ] - [ -0.0123334900000000, -0.0127133400000000, -0.0002718000000000 ] - [ -0.0042357700000000, 0.0022573200000000, 0.0005302700000000 ] - [ 0.0015356400000000, 0.0001893000000000, 0.0001268400000000 ] - [ -0.0027157900000000, 0.0000663800000000, 0.0012179200000000 ] - [ 0.0016372700000000, 0.0003088300000000, 0.0000126900000000 ] - [ -0.0003765600000000, -0.0004831100000000, 0.0004184200000000 ] - [ -0.0009786600000000, -0.0001820700000000, 0.0005091800000000 ] - [ 0.0109344400000000, -0.0158271400000000, -0.0180107100000000 ] - [ 0.0004725400000000, 0.0001238400000000, 0.0002333300000000 ] - [ 0.0000887700000000, 0.0001691500000000, -0.0002744700000000 ] - [ 0.0016714900000000, -0.0469773900000000, 0.0169454700000000 ] - [ -0.0003277600000000, 0.0001374700000000, 0.0009214100000000 ] - [ -0.0005610800000000, -0.0002283600000000, -0.0001557600000000 ] - [ 0.0007652000000000, 0.0004887900000000, -0.0013809000000000 ] - [ 0.0003547600000000, -0.0002809000000000, 0.0009299200000000 ] - [ 0.0120957300000000, -0.0236715400000000, 0.0063994600000000 ] - [ 0.0007658700000000, -0.0014647500000000, 0.0000844500000000 ] - [ 0.0004286900000000, -0.0003348100000000, 0.0001293900000000 ] - [ 0.0012508400000000, 0.0024144500000000, 0.0028588100000000 ] - [ 0.0022150600000000, 0.0011622700000000, 0.0023341300000000 ] - [ -0.0004122000000000, 0.0017765700000000, -0.0006676600000000 ] - [ -0.0003873800000000, 0.0002380600000000, -0.0004034300000000 ] - [ 0.0005588600000000, 0.0005962500000000, 0.0006646800000000 ] - [ -0.0006744600000000, -0.0214432300000000, -0.0368672500000000 ] - [ 0.0005611300000000, -0.0000493500000000, 0.0007979500000000 ] - [ 0.0001758600000000, -0.0002864000000000, 0.0003041100000000 ] - [ -0.0008554300000000, -0.0017300900000000, -0.0047406400000000 ] - [ 0.0005795500000000, 0.0002042300000000, 0.0004492300000000 ] - [ 0.0002960400000000, -0.0012132300000000, -0.0034443000000000 ] - [ 0.0028854400000000, -0.0002687900000000, 0.0027050600000000 ] - [ -0.0002714800000000, -0.0004853800000000, -0.0001753200000000 ] - [ -0.0004708400000000, -0.0007676600000000, 0.0000094100000000 ] - [ -0.0026279700000000, -0.0030884400000000, -0.0016154700000000 ] - [ -0.0067497400000000, 0.0096342800000000, -0.0098091800000000 ] - [ -0.0011497000000000, 0.0019023500000000, 0.0017524200000000 ] - [ -0.0056760300000000, -0.0117158500000000, -0.0095003600000000 ] - [ -0.0018598500000000, -0.0026941600000000, 0.0017798900000000 ] - [ 0.0046760700000000, -0.0019948700000000, 0.0009941500000000 ] - [ -0.0019511600000000, -0.0020635200000000, -0.0027494200000000 ] - [ -0.0016759400000000, 0.0001863400000000, 0.0007116200000000 ] - [ 0.0139877300000000, 0.0081726600000000, -0.0000087600000000 ] - [ 0.0004149700000000, 0.0014687300000000, 0.0007767000000000 ] - [ 0.0005810200000000, 0.0011028300000000, -0.0020765400000000 ] - [ 0.0045956700000000, -0.0069012600000000, -0.0135782700000000 ] - [ -0.0011723200000000, -0.0004896400000000, -0.0003482700000000 ] - [ -0.0000574200000000, -0.0006248900000000, -0.0017466200000000 ] - [ 0.0005934300000000, -0.0004994000000000, 0.0001992000000000 ] - [ -0.0020813400000000, 0.0017052900000000, 0.0045238700000000 ] - [ -0.0014778200000000, 0.0007519200000000, -0.0003976200000000 ] - [ -0.0022775500000000, 0.0135550400000000, 0.0118064900000000 ] - [ -0.0006471200000000, 0.0001419700000000, 0.0001469100000000 ] - [ -0.0010132800000000, -0.0001941700000000, -0.0007751200000000 ] - [ 0.0641547600000000, -0.2042315400000000, -0.0438459600000000 ] - [ 0.0003224400000000, 0.0008039600000000, 0.0006990100000000 ] - [ -0.0016118000000000, 0.0029500200000000, -0.0017999100000000 ] - [ 0.0074371700000000, -0.0324738100000000, 0.0144383700000000 ] - [ -0.0014085000000000, 0.0004060800000000, 0.0001875500000000 ] - [ -0.0025205900000000, -0.0017423400000000, 0.0012605700000000 ] - [ 0.0005158500000000, -0.0010569900000000, 0.0010247500000000 ] - [ -0.0019635200000000, -0.0001806300000000, 0.0018025700000000 ] - [ -0.0122203400000000, 0.0090926400000000, 0.0022176800000000 ] - [ -0.0004154000000000, 0.0011337500000000, -0.0019304000000000 ] - [ 0.0015591800000000, 0.0006168200000000, 0.0021592900000000 ] - [ 0.0106326800000000, 0.0008727100000000, 0.0178964300000000 ] - [ -0.0018442100000000, 0.0002387300000000, -0.0005956600000000 ] - [ 0.0006287900000000, -0.0010003700000000, 0.0015521100000000 ] - [ -0.0003946600000000, -0.0008616800000000, -0.0013250900000000 ] - [ -0.0032487600000000, 0.0001876000000000, -0.0025798600000000 ] - [ 0.0027191400000000, 0.0009786200000000, -0.0013477800000000 ] - [ -0.0012401200000000, 0.0007504600000000, -0.0005350200000000 ] - [ 0.0086766500000000, 0.0048320600000000, -0.0211599800000000 ]- atom: 57 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0002488600000000, 0.0000242200000000, -0.0000320900000000 ] - [ 0.0003936200000000, 0.0000522700000000, -0.0006463300000000 ] - [ 0.0004858500000000, 0.0000552900000000, -0.0004981200000000 ] - [ -0.0001807500000000, 0.0000073900000000, -0.0000881700000000 ] - [ -0.0004036100000000, 0.0000866600000000, 0.0019094800000000 ] - [ 0.0003543500000000, -0.0000123500000000, 0.0000478700000000 ] - [ 0.0000228100000000, 0.0000179100000000, -0.0000126900000000 ] - [ -0.0041710900000000, 0.0007051000000000, 0.0057427000000000 ] - [ 0.0003626800000000, -0.0000946800000000, -0.0003556200000000 ] - [ 0.0015449200000000, 0.0025355000000000, -0.0008354700000000 ] - [ -0.0003736000000000, 0.0012415400000000, 0.0000304300000000 ] - [ 0.0016320500000000, -0.0001463300000000, -0.0011257100000000 ] - [ -0.0003977900000000, 0.0004052400000000, -0.0003902100000000 ] - [ -0.0024461300000000, -0.0009192700000000, 0.0017595800000000 ] - [ -0.0011614400000000, -0.0000660000000000, 0.0013233400000000 ] - [ -0.0003508300000000, 0.0005429800000000, 0.0018527900000000 ] - [ 0.0032827900000000, 0.0017642900000000, -0.0013253200000000 ] - [ -0.0002715100000000, -0.0010003900000000, 0.0000566400000000 ] - [ -0.0007175900000000, 0.0003320700000000, -0.0012046100000000 ] - [ -0.0001691200000000, 0.0005821300000000, -0.0019823200000000 ] - [ -0.0016123300000000, -0.0007531400000000, -0.0009419900000000 ] - [ -0.0014171500000000, -0.0007997800000000, -0.0019955400000000 ] - [ 0.0007633800000000, -0.0008479200000000, 0.0030808800000000 ] - [ 0.0004224100000000, -0.0003702700000000, 0.0016844300000000 ] - [ -0.0011675100000000, 0.0004388000000000, 0.0001505800000000 ] - [ -0.0213699500000000, 0.0232755800000000, -0.0013968700000000 ] - [ 0.0002244500000000, -0.0001836000000000, 0.0002931900000000 ] - [ -0.0015373300000000, -0.0004955000000000, 0.0008203200000000 ] - [ -0.0010031500000000, 0.0003447100000000, 0.0013555700000000 ] - [ 0.0002974600000000, -0.0002576200000000, -0.0000897200000000 ] - [ -0.0011236300000000, -0.0004607100000000, 0.0006584800000000 ] - [ 0.0026112300000000, 0.0013495000000000, -0.0000680300000000 ] - [ 0.0008121300000000, -0.0002034600000000, -0.0011132400000000 ] - [ -0.0024146800000000, 0.0020531900000000, 0.0010603700000000 ] - [ -0.0006552400000000, -0.0003796400000000, 0.0005237600000000 ] - [ 0.0004963100000000, -0.0000614900000000, 0.0002098400000000 ] - [ 0.0029398500000000, -0.0020299500000000, -0.0009801300000000 ] - [ -0.0010714400000000, 0.0002824600000000, 0.0007822300000000 ] - [ -0.0025447300000000, 0.0008157200000000, 0.0006994900000000 ] - [ -0.0003003500000000, -0.0008107400000000, -0.0003873600000000 ] - [ 0.0012350600000000, 0.0009911900000000, 0.0018677500000000 ] - [ 0.0001222800000000, 0.0003989800000000, 0.0008747500000000 ] - [ -0.0022985700000000, 0.0003157200000000, 0.0008245900000000 ] - [ 0.0009847200000000, 0.0005199300000000, -0.0003179300000000 ] - [ 0.0008488900000000, 0.0002101300000000, 0.0001427100000000 ] - [ 0.0002874600000000, 0.0001798000000000, 0.0005130200000000 ] - [ -0.0008256000000000, -0.0008882500000000, 0.0016701800000000 ] - [ -0.0007585100000000, -0.0002966600000000, 0.0004917100000000 ] - [ 0.0012290000000000, -0.0041516200000000, 0.0040496800000000 ] - [ -0.0005112300000000, 0.0002745000000000, -0.0000261700000000 ] - [ 0.0001584100000000, 0.0002131700000000, 0.0014567100000000 ] - [ -0.0006840900000000, -0.0004032300000000, 0.0031648400000000 ] - [ 0.0002422900000000, -0.0002415600000000, 0.0003210000000000 ] - [ 0.0002090500000000, -0.0001889700000000, 0.0004373400000000 ] - [ -0.0022724800000000, -0.0006522400000000, 0.0018158700000000 ] - [ 0.0003268100000000, -0.0002161800000000, -0.0019606100000000 ] - [ 0.0889972500000000, -0.1167566900000000, -0.1070930700000000 ] - [ -0.0002129000000000, -0.0001534500000000, -0.0003411800000000 ] - [ -0.0001644500000000, -0.0003560500000000, 0.0003359100000000 ] - [ -0.0001297500000000, 0.0008414800000000, 0.0008096600000000 ] - [ 0.0000357100000000, 0.0002369100000000, 0.0003660300000000 ] - [ -0.0007768100000000, 0.0010727100000000, 0.0010307500000000 ] - [ -0.0003874000000000, 0.0002066300000000, 0.0003634300000000 ] - [ 0.0005429900000000, 0.0006446100000000, -0.0002317400000000 ] - [ -0.0010294100000000, -0.0005083100000000, -0.0044605900000000 ] - [ -0.0013895400000000, -0.0009173000000000, -0.0006445200000000 ] - [ -0.0000800100000000, -0.0001930200000000, 0.0004592000000000 ] - [ 0.0024071300000000, -0.0016992600000000, 0.0015143400000000 ] - [ -0.0001449700000000, 0.0000767200000000, 0.0014578300000000 ] - [ 0.0005491800000000, 0.0001228400000000, 0.0005863300000000 ] - [ -0.0010143500000000, 0.0004778800000000, -0.0001710800000000 ] - [ 0.0020460600000000, -0.0003702200000000, 0.0010638200000000 ] - [ -0.0010754000000000, -0.0000079600000000, 0.0001302900000000 ] - [ 0.0017281900000000, 0.0001543800000000, -0.0009624100000000 ] - [ -0.0039536400000000, -0.0026651700000000, 0.0023879400000000 ] - [ -0.0001901900000000, 0.0000305000000000, -0.0005976400000000 ] - [ -0.0008794700000000, -0.0007358800000000, 0.0002684000000000 ] - [ 0.0005421100000000, -0.0001184200000000, -0.0001054900000000 ] - [ 0.0009148300000000, -0.0003981700000000, 0.0005808300000000 ] - [ -0.0012971700000000, 0.0000218200000000, 0.0008736900000000 ] - [ -0.0044377100000000, 0.0113397600000000, 0.0033238800000000 ] - [ 0.0002569300000000, 0.0000962000000000, 0.0001105700000000 ] - [ -0.0006035200000000, -0.0000061400000000, 0.0001067200000000 ] - [ 0.0060960000000000, -0.0148264800000000, -0.0051308900000000 ] - [ -0.0000608300000000, -0.0000895000000000, -0.0001331000000000 ] - [ -0.0010628600000000, 0.0003970600000000, 0.0013932500000000 ] - [ -0.0006676800000000, -0.0007041100000000, 0.0021899200000000 ] - [ 0.0004407900000000, -0.0001348000000000, 0.0002100400000000 ] - [ 0.0004591200000000, -0.0003528200000000, -0.0001695400000000 ] - [ -0.0009452300000000, -0.0001830900000000, -0.0001152400000000 ] - [ -0.0003276100000000, -0.0009070200000000, 0.0000458800000000 ] - [ 0.0030688500000000, -0.0021974000000000, 0.0059022500000000 ] - [ 0.0002137700000000, 0.0003741800000000, -0.0005331500000000 ] - [ -0.0004515600000000, 0.0005583100000000, 0.0003611300000000 ] - [ -0.0005127000000000, 0.0005965900000000, 0.0003385900000000 ] - [ 0.0008146100000000, 0.0009621500000000, 0.0004393700000000 ] - [ 0.0053263400000000, 0.0242942800000000, 0.0162455800000000 ] - [ -0.0001912300000000, -0.0001739500000000, 0.0004440000000000 ] - [ 0.0000527700000000, -0.0001660800000000, 0.0000068800000000 ] - [ 0.0000768900000000, 0.0001754500000000, 0.0020375400000000 ] - [ -0.0001688800000000, 0.0000608400000000, -0.0007264200000000 ] - [ -0.0004818300000000, 0.0007855200000000, 0.0013687800000000 ] - [ 0.0012559500000000, 0.0010567300000000, 0.0002783100000000 ] - [ -0.0001185900000000, 0.0004207100000000, 0.0006439000000000 ] - [ 0.0009591000000000, 0.0003228400000000, -0.0011017800000000 ] - [ -0.0058174300000000, -0.0021349900000000, -0.0039239100000000 ] - [ -0.0022876300000000, -0.0018513100000000, 0.0029939600000000 ] - [ 0.0023466600000000, -0.0002386800000000, -0.0010588500000000 ] - [ -0.0015967900000000, 0.0024044400000000, 0.0037650900000000 ] - [ 0.0018262500000000, 0.0008331500000000, -0.0014857700000000 ] - [ 0.0067235200000000, 0.0004120700000000, -0.0015091200000000 ] - [ 0.0008976800000000, 0.0015312800000000, 0.0020028300000000 ] - [ 0.0008115800000000, -0.0001116400000000, 0.0010932900000000 ] - [ -0.0014778100000000, -0.0014648600000000, 0.0018838700000000 ] - [ -0.0016427200000000, -0.0008155500000000, -0.0010914800000000 ] - [ 0.0009652900000000, -0.0002459200000000, -0.0024194200000000 ] - [ 0.0015048500000000, 0.0008317800000000, -0.0052476400000000 ] - [ -0.0001097700000000, 0.0003598700000000, -0.0014587800000000 ] - [ -0.0007211700000000, 0.0000066000000000, -0.0008594000000000 ] - [ 0.0017352800000000, -0.0001913000000000, -0.0026059900000000 ] - [ 0.0017635200000000, -0.0001330100000000, -0.0021989200000000 ] - [ -0.0003484800000000, 0.0002551000000000, 0.0007056200000000 ] - [ 0.0022742800000000, -0.0034082600000000, -0.0042678200000000 ] - [ -0.0005639100000000, -0.0000995800000000, 0.0005679800000000 ] - [ 0.0012542400000000, -0.0000978200000000, -0.0007796500000000 ] - [ -0.0706630900000000, 0.0941249100000000, 0.0740654700000000 ] - [ 0.0016292900000000, -0.0005480500000000, -0.0008219100000000 ] - [ -0.0018329100000000, 0.0007088300000000, -0.0005634000000000 ] - [ -0.0049708200000000, -0.0114705200000000, 0.0184583900000000 ] - [ 0.0015401600000000, 0.0003408400000000, 0.0005780700000000 ] - [ 0.0032339700000000, -0.0007772500000000, -0.0013413700000000 ] - [ -0.0027544700000000, -0.0007629400000000, 0.0016560000000000 ] - [ 0.0008866500000000, 0.0002073900000000, 0.0021272500000000 ] - [ 0.0087254900000000, -0.0063617900000000, -0.0002404900000000 ] - [ -0.0000105300000000, 0.0003428500000000, -0.0016850600000000 ] - [ 0.0004003100000000, 0.0000835200000000, -0.0027815300000000 ] - [ -0.0063530600000000, -0.0009102900000000, -0.0110383700000000 ] - [ 0.0008665300000000, 0.0003902000000000, -0.0017610900000000 ] - [ 0.0023168900000000, -0.0002094300000000, -0.0025121600000000 ] - [ -0.0025100500000000, -0.0001411000000000, 0.0001234900000000 ] - [ -0.0008896400000000, -0.0006834200000000, -0.0003902600000000 ] - [ 0.0015748700000000, -0.0003076300000000, -0.0016377500000000 ] - [ 0.0007819500000000, 0.0004622800000000, -0.0007887100000000 ] - [ -0.0013677800000000, 0.0058800200000000, -0.0046075400000000 ]- atom: 57 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0000309300000000, -0.0000007300000000, 0.0000160700000000 ] - [ -0.0006126200000000, -0.0000297500000000, 0.0006300200000000 ] - [ -0.0002666200000000, -0.0000323200000000, 0.0005156500000000 ] - [ 0.0004002700000000, 0.0000152600000000, 0.0001053400000000 ] - [ 0.0006282400000000, -0.0000889700000000, -0.0018854600000000 ] - [ -0.0001354800000000, -0.0000110100000000, -0.0000311300000000 ] - [ -0.0002422100000000, -0.0000402500000000, -0.0000049600000000 ] - [ 0.0044633500000000, -0.0008426200000000, -0.0067494200000000 ] - [ 0.0008405500000000, 0.0001395900000000, 0.0000061000000000 ] - [ -0.0003318000000000, -0.0024860800000000, 0.0004823600000000 ] - [ 0.0015775900000000, -0.0002785400000000, -0.0013735000000000 ] - [ -0.0004294700000000, 0.0011091500000000, -0.0002155000000000 ] - [ -0.0008105000000000, 0.0005536600000000, 0.0017363700000000 ] - [ 0.0012435700000000, 0.0018822700000000, -0.0004167700000000 ] - [ -0.0000399400000000, -0.0008988200000000, 0.0000184500000000 ] - [ -0.0008522500000000, -0.0015131500000000, -0.0005153700000000 ] - [ -0.0020764600000000, -0.0027192600000000, -0.0000254000000000 ] - [ 0.0014736100000000, 0.0000360100000000, -0.0013993200000000 ] - [ 0.0005930900000000, -0.0003407700000000, 0.0002033700000000 ] - [ 0.0000476000000000, -0.0005907300000000, 0.0009819500000000 ] - [ 0.0017476200000000, 0.0007512700000000, 0.0019580600000000 ] - [ 0.0015438800000000, 0.0007932900000000, 0.0030014100000000 ] - [ -0.0006348300000000, 0.0008545700000000, -0.0020646400000000 ] - [ -0.0002976400000000, 0.0003776400000000, -0.0006822900000000 ] - [ 0.0001594500000000, 0.0002024100000000, 0.0002392800000000 ] - [ 0.0200839200000000, -0.0223657700000000, 0.0016849600000000 ] - [ -0.0012299400000000, -0.0004572100000000, 0.0000951600000000 ] - [ 0.0005306100000000, -0.0001461200000000, -0.0004331900000000 ] - [ 0.0020145200000000, -0.0009882200000000, -0.0017506300000000 ] - [ 0.0007084800000000, -0.0003827000000000, -0.0002997400000000 ] - [ 0.0011567000000000, 0.0006497900000000, -0.0005433000000000 ] - [ -0.0025894400000000, -0.0011658000000000, 0.0001867700000000 ] - [ -0.0008528600000000, 0.0003977300000000, 0.0009997100000000 ] - [ 0.0023823700000000, -0.0018603300000000, -0.0011766200000000 ] - [ 0.0006252400000000, 0.0001909300000000, -0.0006398500000000 ] - [ -0.0005296400000000, -0.0001308700000000, -0.0003237100000000 ] - [ -0.0029108100000000, 0.0018395300000000, 0.0010898100000000 ] - [ 0.0011025800000000, -0.0004716000000000, -0.0006672000000000 ] - [ 0.0013507000000000, -0.0007744200000000, -0.0003501700000000 ] - [ -0.0009032900000000, 0.0008561900000000, 0.0007392800000000 ] - [ -0.0013626800000000, -0.0009856100000000, -0.0028780900000000 ] - [ -0.0002492900000000, -0.0003926600000000, -0.0018815800000000 ] - [ 0.0033071300000000, 0.0003198500000000, -0.0012151700000000 ] - [ 0.0000227600000000, 0.0001209800000000, -0.0000706700000000 ] - [ 0.0003554100000000, -0.0002574400000000, -0.0004947200000000 ] - [ 0.0009163000000000, -0.0002271400000000, -0.0008647200000000 ] - [ -0.0003769600000000, 0.0008480500000000, -0.0013186200000000 ] - [ -0.0004456400000000, 0.0002509000000000, -0.0001416800000000 ] - [ -0.0016307500000000, 0.0045327100000000, -0.0054061300000000 ] - [ 0.0001102300000000, 0.0001464700000000, -0.0014109000000000 ] - [ 0.0002427600000000, 0.0002078100000000, -0.0000218900000000 ] - [ 0.0010786200000000, 0.0008250100000000, -0.0017195300000000 ] - [ 0.0001570100000000, -0.0001793100000000, 0.0011182900000000 ] - [ 0.0001948400000000, -0.0002339600000000, 0.0009935700000000 ] - [ 0.0018814200000000, 0.0002324700000000, -0.0032625000000000 ] - [ -0.0007282600000000, -0.0002050000000000, 0.0005252200000000 ] - [ -0.0886667300000000, 0.1126757300000000, 0.1077774700000000 ] - [ 0.0004149700000000, -0.0005812000000000, -0.0003355100000000 ] - [ -0.0000377600000000, -0.0003784500000000, 0.0003416700000000 ] - [ -0.0000847000000000, -0.0015991600000000, -0.0001240900000000 ] - [ -0.0002388700000000, 0.0004992000000000, 0.0003103100000000 ] - [ 0.0005760300000000, -0.0003398600000000, -0.0003547700000000 ] - [ 0.0005902300000000, 0.0005280200000000, -0.0010423100000000 ] - [ -0.0003411600000000, 0.0000893700000000, -0.0004468400000000 ] - [ 0.0001505100000000, -0.0002492100000000, 0.0035809000000000 ] - [ 0.0005423200000000, 0.0001551500000000, -0.0002174100000000 ] - [ 0.0009286500000000, -0.0005698100000000, 0.0004032000000000 ] - [ -0.0015574000000000, 0.0009362000000000, -0.0006452600000000 ] - [ 0.0002959100000000, 0.0002110400000000, -0.0006905700000000 ] - [ -0.0003986800000000, 0.0001650600000000, 0.0001825900000000 ] - [ 0.0001686800000000, 0.0002840500000000, -0.0006912900000000 ] - [ -0.0029042800000000, 0.0011352300000000, -0.0019324800000000 ] - [ 0.0004117800000000, 0.0003098500000000, 0.0004281400000000 ] - [ -0.0023812900000000, 0.0001546700000000, 0.0015171400000000 ] - [ 0.0046466100000000, 0.0030092700000000, -0.0029762600000000 ] - [ 0.0008550100000000, 0.0002719700000000, 0.0000404800000000 ] - [ 0.0015405100000000, 0.0004339400000000, -0.0008256000000000 ] - [ 0.0001194200000000, -0.0001850900000000, -0.0004532300000000 ] - [ -0.0015799900000000, 0.0000962600000000, -0.0000243500000000 ] - [ 0.0006312000000000, -0.0003234400000000, -0.0003169900000000 ] - [ 0.0051121400000000, -0.0112580300000000, -0.0031444700000000 ] - [ 0.0003813500000000, 0.0000753800000000, 0.0000759600000000 ] - [ -0.0000349800000000, 0.0001775400000000, -0.0002920300000000 ] - [ -0.0067429400000000, 0.0148796700000000, 0.0050133100000000 ] - [ -0.0005767700000000, -0.0000832400000000, -0.0000554200000000 ] - [ 0.0004257200000000, -0.0005701300000000, -0.0015822900000000 ] - [ 0.0013085000000000, 0.0005346700000000, -0.0020086300000000 ] - [ 0.0001978200000000, -0.0000355700000000, -0.0000261300000000 ] - [ -0.0006741400000000, -0.0010280500000000, 0.0001094200000000 ] - [ 0.0007548300000000, -0.0012429600000000, 0.0000914000000000 ] - [ 0.0005184900000000, -0.0005174600000000, -0.0000215700000000 ] - [ -0.0028987900000000, 0.0007991100000000, -0.0059273900000000 ] - [ -0.0000298900000000, 0.0010521500000000, 0.0005521600000000 ] - [ 0.0006408800000000, 0.0008676600000000, -0.0003384400000000 ] - [ 0.0003241000000000, 0.0008301100000000, -0.0003629900000000 ] - [ -0.0010035300000000, 0.0004644300000000, -0.0004625700000000 ] - [ -0.0050382100000000, -0.0242667900000000, -0.0153396900000000 ] - [ 0.0003415400000000, -0.0001144500000000, 0.0003253400000000 ] - [ -0.0002023500000000, -0.0001227800000000, -0.0007742500000000 ] - [ -0.0002267300000000, -0.0004707800000000, -0.0028072100000000 ] - [ 0.0000179300000000, 0.0002279700000000, -0.0000421400000000 ] - [ 0.0003354500000000, -0.0004982100000000, -0.0021397900000000 ] - [ -0.0004147100000000, -0.0002954400000000, 0.0005785900000000 ] - [ 0.0009661100000000, 0.0003413900000000, 0.0002177600000000 ] - [ -0.0016879800000000, 0.0001488000000000, 0.0007581000000000 ] - [ 0.0051164200000000, 0.0026191500000000, 0.0035922700000000 ] - [ 0.0030335900000000, 0.0023198100000000, -0.0026338400000000 ] - [ -0.0016211800000000, 0.0007112900000000, 0.0014029000000000 ] - [ 0.0008912300000000, -0.0028615500000000, -0.0040970600000000 ] - [ -0.0025524200000000, -0.0013053200000000, 0.0011423200000000 ] - [ -0.0065363600000000, -0.0002718800000000, 0.0008431300000000 ] - [ -0.0006757100000000, -0.0013882500000000, -0.0026723400000000 ] - [ -0.0010344500000000, 0.0002559800000000, -0.0004308100000000 ] - [ 0.0012385900000000, 0.0016093500000000, -0.0012111400000000 ] - [ 0.0014217900000000, 0.0006757700000000, 0.0017624600000000 ] - [ -0.0011861400000000, 0.0001043600000000, 0.0030863300000000 ] - [ -0.0012739800000000, -0.0009934900000000, 0.0045576200000000 ] - [ 0.0003354700000000, -0.0005031800000000, 0.0007933900000000 ] - [ 0.0014225400000000, 0.0001822000000000, -0.0004739300000000 ] - [ -0.0010342600000000, 0.0003799700000000, 0.0012744500000000 ] - [ -0.0024737500000000, 0.0003204300000000, 0.0035412600000000 ] - [ -0.0003524600000000, -0.0000696900000000, 0.0006313000000000 ] - [ -0.0029785800000000, 0.0032487700000000, 0.0056074100000000 ] - [ -0.0001397900000000, -0.0000877600000000, 0.0007663100000000 ] - [ -0.0005516300000000, -0.0000894600000000, -0.0005568100000000 ] - [ 0.0708396300000000, -0.0914475400000000, -0.0755718400000000 ] - [ -0.0009056700000000, 0.0000766200000000, 0.0011661500000000 ] - [ 0.0025562700000000, -0.0011754000000000, 0.0009017400000000 ] - [ 0.0051949800000000, 0.0125456100000000, -0.0176411000000000 ] - [ -0.0013028400000000, 0.0005746300000000, 0.0004322500000000 ] - [ -0.0037335100000000, 0.0000203800000000, 0.0007942300000000 ] - [ 0.0022643200000000, 0.0000026800000000, -0.0022096500000000 ] - [ -0.0003898900000000, -0.0009748800000000, -0.0015925800000000 ] - [ -0.0082472400000000, 0.0055876700000000, 0.0007826300000000 ] - [ 0.0004991600000000, 0.0004230000000000, 0.0022301400000000 ] - [ 0.0000924300000000, 0.0006882700000000, 0.0033350700000000 ] - [ 0.0058606300000000, 0.0016720200000000, 0.0105086800000000 ] - [ -0.0013576700000000, 0.0003735000000000, 0.0012158900000000 ] - [ -0.0020835700000000, -0.0007086100000000, 0.0035325500000000 ] - [ 0.0027523400000000, -0.0007776700000000, 0.0008907200000000 ] - [ 0.0006596600000000, -0.0002332400000000, -0.0006173300000000 ] - [ -0.0018126400000000, -0.0006039900000000, 0.0006324900000000 ] - [ -0.0010217300000000, 0.0004525200000000, -0.0002230600000000 ] - [ 0.0011796500000000, -0.0050122400000000, 0.0035130200000000 ]- atom: 65 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0025310900000000, -0.0021666300000000, -0.0033086900000000 ] - [ -0.0007184200000000, 0.0004751000000000, 0.0004370800000000 ] - [ 0.0000365100000000, -0.0001576400000000, 0.0004120900000000 ] - [ 0.0002316500000000, 0.0004511800000000, -0.0010436900000000 ] - [ 0.0010806000000000, -0.0018170200000000, -0.0006143500000000 ] - [ -0.0006896800000000, -0.0000296200000000, 0.0001509800000000 ] - [ -0.0004562900000000, -0.0000093700000000, 0.0002798400000000 ] - [ 0.0011837900000000, 0.0013600500000000, -0.0023570200000000 ] - [ 0.0023072700000000, 0.0031427200000000, -0.0013024400000000 ] - [ 0.0049045400000000, 0.0039704800000000, -0.0003566800000000 ] - [ 0.0006527600000000, 0.0001869200000000, -0.0014610500000000 ] - [ 0.0008215000000000, 0.0008858200000000, 0.0005288500000000 ] - [ 0.0234163700000000, 0.0438929300000000, -0.0005113800000000 ] - [ 0.0011819900000000, 0.0015881600000000, -0.0001370900000000 ] - [ -0.0004718100000000, -0.0008324900000000, -0.0000709400000000 ] - [ -0.0004134700000000, -0.0003447700000000, 0.0016908800000000 ] - [ -0.0028576300000000, 0.0005885300000000, -0.0020299900000000 ] - [ 0.0022692500000000, 0.0005793800000000, -0.0013181700000000 ] - [ -0.0004612500000000, 0.0006412200000000, -0.0041398000000000 ] - [ 0.0039754400000000, -0.0015819500000000, 0.0032704100000000 ] - [ -0.0021161700000000, -0.0010188200000000, -0.0051943300000000 ] - [ 0.0013262400000000, 0.0007037000000000, 0.0023427100000000 ] - [ -0.0019071500000000, 0.0014864300000000, -0.0059477700000000 ] - [ 0.0023515600000000, -0.0010234500000000, 0.0030796500000000 ] - [ 0.0038360200000000, -0.0002924700000000, -0.0005984200000000 ] - [ 0.0029663800000000, -0.0023292500000000, -0.0007502300000000 ] - [ -0.0027834900000000, -0.0008970500000000, 0.0011457800000000 ] - [ -0.0001831100000000, -0.0004433100000000, 0.0002556300000000 ] - [ -0.0011426900000000, 0.0003822900000000, -0.0007283000000000 ] - [ 0.0034828200000000, -0.0011245900000000, 0.0003203100000000 ] - [ 0.0002405400000000, 0.0001919500000000, -0.0006651900000000 ] - [ 0.0004214100000000, -0.0001975100000000, 0.0012612300000000 ] - [ -0.0063486400000000, 0.0052180200000000, 0.0003508700000000 ] - [ 0.0020938000000000, -0.0007020500000000, -0.0007744500000000 ] - [ 0.0001271100000000, 0.0001935900000000, -0.0006414400000000 ] - [ 0.0003266100000000, -0.0001188300000000, 0.0008278200000000 ] - [ -0.0150985300000000, 0.0059559100000000, 0.0034226600000000 ] - [ 0.0019240800000000, -0.0008989500000000, -0.0005067100000000 ] - [ -0.0014977200000000, -0.0006990000000000, -0.0015229400000000 ] - [ 0.0001201500000000, -0.0004625100000000, 0.0007669800000000 ] - [ -0.0010246200000000, 0.0000716800000000, -0.0009556400000000 ] - [ 0.0007779100000000, 0.0005589800000000, 0.0008969600000000 ] - [ -0.0042781800000000, 0.0002421600000000, 0.0007348700000000 ] - [ 0.0019337700000000, 0.0005861100000000, 0.0000022100000000 ] - [ -0.0001781300000000, 0.0005703100000000, -0.0001222500000000 ] - [ 0.0007767400000000, 0.0001763100000000, 0.0003381600000000 ] - [ -0.0025550500000000, -0.0052239800000000, -0.0023875200000000 ] - [ 0.0010991700000000, 0.0009318700000000, 0.0003764300000000 ] - [ 0.0156784700000000, -0.0006350500000000, -0.0214334900000000 ] - [ 0.0015917500000000, 0.0000022800000000, -0.0016669200000000 ] - [ 0.0000934400000000, 0.0002506900000000, 0.0007191500000000 ] - [ -0.0004128900000000, 0.0001505800000000, 0.0023257800000000 ] - [ 0.0023723900000000, -0.0015857100000000, -0.0020890700000000 ] - [ 0.0040286400000000, -0.0004397500000000, -0.0024855600000000 ] - [ -0.0003379000000000, -0.0000710400000000, -0.0027858300000000 ] - [ -0.0005022900000000, -0.0004365700000000, 0.0012503300000000 ] - [ 0.0091780200000000, -0.0143888600000000, 0.0052864900000000 ] - [ 0.0014301300000000, -0.0012286500000000, -0.0005841600000000 ] - [ 0.0004523700000000, -0.0000368900000000, 0.0001119000000000 ] - [ -0.0009882000000000, 0.0020296400000000, 0.0021304700000000 ] - [ 0.0009404900000000, -0.0020809700000000, 0.0020864400000000 ] - [ -0.0001022000000000, 0.0010534300000000, -0.0003238000000000 ] - [ 0.0002424600000000, -0.0000463100000000, -0.0009598100000000 ] - [ -0.0000642500000000, 0.0011509700000000, 0.0025641300000000 ] - [ -0.2333775000000000, -0.1591572400000000, -0.1307043000000000 ] - [ 0.0017537500000000, 0.0004716000000000, 0.0003165400000000 ] - [ 0.0002645700000000, -0.0001296900000000, -0.0001167600000000 ] - [ 0.0013850000000000, -0.0008322100000000, 0.0017164000000000 ] - [ -0.0004242600000000, 0.0000560000000000, -0.0010289500000000 ] - [ 0.0008289600000000, -0.0002179300000000, 0.0038159600000000 ] - [ -0.0007167500000000, 0.0005997900000000, -0.0010819200000000 ] - [ 0.0012164200000000, -0.0005708000000000, 0.0011916200000000 ] - [ 0.0024054100000000, 0.0011786500000000, -0.0001408600000000 ] - [ 0.0201347400000000, 0.0122491300000000, 0.0036017900000000 ] - [ -0.0030523700000000, 0.0004806700000000, -0.0006878700000000 ] - [ 0.0014369500000000, -0.0001334100000000, 0.0000276800000000 ] - [ 0.0040033300000000, -0.0002697400000000, -0.0031535000000000 ] - [ 0.0064107200000000, 0.0001829800000000, 0.0010142100000000 ] - [ -0.0010378500000000, -0.0000155900000000, 0.0007712500000000 ] - [ -0.0002774500000000, 0.0000496700000000, 0.0002975200000000 ] - [ -0.0045235000000000, 0.0049532200000000, 0.0132063900000000 ] - [ 0.0011103200000000, -0.0002238500000000, -0.0007526400000000 ] - [ 0.0011115900000000, 0.0006875000000000, -0.0014745800000000 ] - [ -0.0009947200000000, -0.0024416700000000, 0.0020271100000000 ] - [ -0.0012664600000000, -0.0002275100000000, 0.0046453700000000 ] - [ 0.0004687800000000, -0.0004804900000000, -0.0017320600000000 ] - [ 0.0005882600000000, 0.0001701200000000, -0.0011445700000000 ] - [ 0.0005574300000000, -0.0002038400000000, 0.0029270000000000 ] - [ -0.0093524200000000, 0.0144833900000000, -0.0049370800000000 ] - [ 0.0016082800000000, -0.0015788900000000, 0.0005133200000000 ] - [ 0.0000305300000000, -0.0009040000000000, -0.0004719900000000 ] - [ 0.0007692800000000, -0.0006334400000000, 0.0016393500000000 ] - [ 0.0277510300000000, 0.0019583800000000, 0.0331770300000000 ] - [ 0.0017780500000000, -0.0002033100000000, 0.0003392900000000 ] - [ -0.0003692300000000, 0.0005441900000000, -0.0006147700000000 ] - [ 0.0010398700000000, 0.0016036800000000, 0.0014449400000000 ] - [ -0.0018240200000000, -0.0029149300000000, -0.0046314300000000 ] - [ 0.0015537300000000, 0.0000699700000000, 0.0012735800000000 ] - [ -0.0000676400000000, -0.0001443100000000, -0.0008534200000000 ] - [ 0.0000564400000000, 0.0002489500000000, 0.0037692300000000 ] - [ 0.0023557900000000, 0.0019516900000000, 0.0025767800000000 ] - [ -0.0000477700000000, 0.0001379000000000, -0.0015417300000000 ] - [ -0.0055848300000000, -0.0050074700000000, -0.0017840700000000 ] - [ 0.0026303000000000, 0.0013154500000000, 0.0009804000000000 ] - [ -0.0005566700000000, 0.0002382900000000, 0.0013945200000000 ] - [ -0.0019285200000000, 0.0008596600000000, -0.0034191300000000 ] - [ 0.0177798900000000, -0.0042885300000000, 0.0080929700000000 ] - [ -0.0033913200000000, -0.0001245200000000, 0.0002868100000000 ] - [ 0.1023980200000000, 0.0674051300000000, 0.0593656100000000 ] - [ -0.0040467800000000, -0.0004640000000000, -0.0000435000000000 ] - [ 0.0049776300000000, 0.0013785900000000, 0.0046875400000000 ] - [ -0.0015504000000000, 0.0000613600000000, -0.0028031800000000 ] - [ -0.0030296300000000, -0.0010093800000000, 0.0045882700000000 ] - [ -0.0148825200000000, -0.0006910000000000, 0.0010347800000000 ] - [ 0.0011698600000000, -0.0004935700000000, 0.0002122600000000 ] - [ -0.0004626500000000, -0.0006591800000000, -0.0014422800000000 ] - [ -0.0038236500000000, 0.0051434700000000, 0.0196271500000000 ] - [ -0.0062646100000000, -0.0003405100000000, -0.0011386000000000 ] - [ 0.0024971200000000, -0.0005007100000000, -0.0065944300000000 ] - [ 0.0000367400000000, 0.0008549600000000, 0.0008984400000000 ] - [ 0.0001605900000000, -0.0005531300000000, 0.0023783600000000 ] - [ -0.0039566300000000, 0.0008513800000000, -0.0029692800000000 ] - [ 0.0060523600000000, -0.0068255100000000, -0.0072233500000000 ] - [ -0.0019793500000000, -0.0000011700000000, 0.0012209500000000 ] - [ -0.0047139000000000, -0.0002161700000000, -0.0000988600000000 ] - [ -0.0041622700000000, 0.0135863800000000, 0.0040605500000000 ] - [ 0.0003947400000000, -0.0003674300000000, 0.0016642100000000 ] - [ -0.0011484700000000, -0.0005729300000000, -0.0027415300000000 ] - [ 0.0708093300000000, 0.0243770200000000, 0.0266101000000000 ] - [ -0.0042906000000000, 0.0006942000000000, 0.0008585200000000 ] - [ 0.0025551800000000, 0.0013259600000000, 0.0042688100000000 ] - [ -0.0034389300000000, 0.0002163600000000, -0.0056346200000000 ] - [ -0.0084003800000000, -0.0159993300000000, 0.0090962900000000 ] - [ -0.0051765100000000, -0.0014672700000000, 0.0010690400000000 ] - [ 0.0031799200000000, 0.0001798400000000, 0.0032969200000000 ] - [ -0.0014356900000000, 0.0007973100000000, -0.0040826200000000 ] - [ 0.0117073500000000, -0.0011790100000000, 0.0018863600000000 ] - [ -0.0048638900000000, 0.0001303300000000, -0.0011349300000000 ] - [ -0.0000724900000000, -0.0004293100000000, 0.0028568000000000 ] - [ -0.0007735800000000, -0.0015854300000000, -0.0043602500000000 ] - [ -0.0066689200000000, 0.0178670600000000, -0.0063059700000000 ] - [ -0.0053367100000000, -0.0013303400000000, 0.0023816700000000 ] - [ -0.0010601900000000, 0.0004759600000000, 0.0005817500000000 ] - [ 0.0016104700000000, -0.0007958100000000, -0.0044383800000000 ]- atom: 65 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ 0.0023333200000000, 0.0021910200000000, 0.0033122100000000 ] - [ 0.0005002600000000, -0.0004576000000000, -0.0004577700000000 ] - [ 0.0001819000000000, 0.0001822900000000, -0.0003974900000000 ] - [ -0.0000096700000000, -0.0004280500000000, 0.0010660100000000 ] - [ -0.0008747200000000, 0.0018174500000000, 0.0006315200000000 ] - [ 0.0009120400000000, 0.0000069400000000, -0.0001337600000000 ] - [ 0.0002392200000000, -0.0000137400000000, -0.0002971900000000 ] - [ -0.0014222300000000, -0.0013956900000000, 0.0023475500000000 ] - [ -0.0011098200000000, -0.0031055300000000, 0.0009560400000000 ] - [ -0.0037393200000000, -0.0039665400000000, 0.0000075900000000 ] - [ 0.0005515300000000, 0.0007779700000000, 0.0001206000000000 ] - [ 0.0003798300000000, 0.0000744900000000, -0.0018807300000000 ] - [ -0.0246132500000000, -0.0425396700000000, 0.0018711700000000 ] - [ -0.0023948800000000, -0.0006293100000000, 0.0014845000000000 ] - [ -0.0007296400000000, -0.0001312300000000, 0.0014143800000000 ] - [ -0.0007904900000000, -0.0006199300000000, -0.0003547500000000 ] - [ 0.0040666400000000, -0.0016054900000000, 0.0007200400000000 ] - [ -0.0010763200000000, -0.0015501900000000, -0.0000207400000000 ] - [ 0.0003340300000000, -0.0006492500000000, 0.0031454600000000 ] - [ -0.0041421900000000, 0.0015887900000000, -0.0043096300000000 ] - [ 0.0022462100000000, 0.0010121000000000, 0.0062193600000000 ] - [ -0.0012083700000000, -0.0007151500000000, -0.0013489600000000 ] - [ 0.0020548800000000, -0.0014871900000000, 0.0070071800000000 ] - [ -0.0022346600000000, 0.0010349500000000, -0.0020861500000000 ] - [ -0.0048608000000000, 0.0009342100000000, 0.0009914300000000 ] - [ -0.0039867100000000, 0.0029923500000000, 0.0011550700000000 ] - [ 0.0017813100000000, 0.0002619300000000, -0.0007665100000000 ] - [ -0.0008230700000000, -0.0001959800000000, 0.0001325700000000 ] - [ 0.0022008500000000, -0.0010443500000000, 0.0003388300000000 ] - [ -0.0024928600000000, 0.0004869800000000, -0.0007114300000000 ] - [ -0.0002090300000000, -0.0000019500000000, 0.0007826800000000 ] - [ -0.0003926500000000, 0.0003897300000000, -0.0011550000000000 ] - [ 0.0063353500000000, -0.0050481600000000, -0.0004567700000000 ] - [ -0.0021367000000000, 0.0008947300000000, 0.0006632600000000 ] - [ -0.0001562700000000, -0.0003835700000000, 0.0005266600000000 ] - [ -0.0003604400000000, -0.0000711500000000, -0.0009484600000000 ] - [ 0.0151838300000000, -0.0065397200000000, -0.0036538800000000 ] - [ -0.0019032300000000, 0.0007144100000000, 0.0006250400000000 ] - [ 0.0002927800000000, 0.0007488600000000, 0.0018902700000000 ] - [ -0.0013308300000000, 0.0005150200000000, -0.0004202000000000 ] - [ 0.0008982600000000, -0.0000910000000000, -0.0000882300000000 ] - [ -0.0009077600000000, -0.0005546600000000, -0.0019093900000000 ] - [ 0.0053235000000000, 0.0003979500000000, -0.0011295500000000 ] - [ -0.0009404500000000, 0.0000521300000000, -0.0003937000000000 ] - [ 0.0013854300000000, -0.0006316600000000, -0.0002355300000000 ] - [ 0.0004273300000000, -0.0002250200000000, -0.0006923100000000 ] - [ 0.0013973100000000, 0.0052587700000000, 0.0027563900000000 ] - [ -0.0023102800000000, -0.0009800800000000, -0.0000269700000000 ] - [ -0.0163251800000000, 0.0010572300000000, 0.0203451600000000 ] - [ -0.0019990200000000, 0.0004201000000000, 0.0002322500000000 ] - [ 0.0003095300000000, 0.0001704800000000, 0.0007000500000000 ] - [ 0.0008175400000000, 0.0002704000000000, -0.0008971800000000 ] - [ -0.0019798600000000, 0.0011670100000000, 0.0035315200000000 ] - [ -0.0036678700000000, 0.0000192600000000, 0.0039567800000000 ] - [ -0.0000625700000000, -0.0003533200000000, 0.0013614100000000 ] - [ 0.0001023100000000, 0.0000177700000000, -0.0027007500000000 ] - [ -0.0090695800000000, 0.0138611600000000, -0.0060428800000000 ] - [ -0.0012341600000000, 0.0004993900000000, -0.0000929700000000 ] - [ -0.0006590600000000, -0.0007013400000000, 0.0005639600000000 ] - [ 0.0007932800000000, -0.0027835500000000, -0.0014659100000000 ] - [ -0.0011494200000000, 0.0028175800000000, -0.0014155300000000 ] - [ -0.0000915000000000, -0.0003337300000000, 0.0010068000000000 ] - [ -0.0000392100000000, 0.0007862400000000, 0.0002865500000000 ] - [ 0.0002617500000000, -0.0004145600000000, -0.0032551000000000 ] - [ 0.2343997700000000, 0.1564525500000000, 0.1280332600000000 ] - [ -0.0026130000000000, -0.0012377000000000, -0.0011825000000000 ] - [ 0.0005845000000000, -0.0006337500000000, 0.0009797300000000 ] - [ -0.0005423300000000, 0.0000714500000000, -0.0008624100000000 ] - [ 0.0005787000000000, 0.0002336700000000, 0.0018076900000000 ] - [ -0.0006869400000000, 0.0005105800000000, -0.0030702500000000 ] - [ -0.0001273000000000, 0.0001610200000000, 0.0002224300000000 ] - [ -0.0020770700000000, 0.0013411000000000, -0.0020654100000000 ] - [ -0.0030809700000000, -0.0008811400000000, 0.0006984200000000 ] - [ -0.0210327900000000, -0.0121279700000000, -0.0031005500000000 ] - [ 0.0037370600000000, -0.0001858600000000, 0.0001394200000000 ] - [ -0.0007820400000000, 0.0004394300000000, -0.0005885300000000 ] - [ -0.0033680200000000, -0.0000195100000000, 0.0026308900000000 ] - [ -0.0057664900000000, -0.0004870500000000, -0.0015763100000000 ] - [ 0.0003633000000000, -0.0002877300000000, -0.0002245300000000 ] - [ -0.0003833500000000, -0.0003544700000000, 0.0002597100000000 ] - [ 0.0052469800000000, -0.0048006700000000, -0.0131359400000000 ] - [ -0.0004763700000000, 0.0003961600000000, 0.0009392100000000 ] - [ -0.0017557200000000, -0.0005174500000000, 0.0012915100000000 ] - [ 0.0003619200000000, 0.0026347800000000, -0.0022147300000000 ] - [ 0.0006259700000000, 0.0000518100000000, -0.0048417000000000 ] - [ -0.0011124400000000, 0.0003111100000000, 0.0015595900000000 ] - [ 0.0000563500000000, -0.0003413300000000, 0.0013331100000000 ] - [ 0.0000751900000000, 0.0000311700000000, -0.0027545900000000 ] - [ 0.0092845400000000, -0.0160095800000000, 0.0049750100000000 ] - [ -0.0018077700000000, 0.0001568800000000, -0.0005409800000000 ] - [ 0.0001593100000000, -0.0005204500000000, 0.0004966200000000 ] - [ -0.0005823200000000, -0.0007908100000000, -0.0016252900000000 ] - [ -0.0273284400000000, -0.0004615200000000, -0.0326695900000000 ] - [ -0.0015989400000000, 0.0016361700000000, -0.0003169500000000 ] - [ 0.0001827000000000, 0.0008828300000000, 0.0005930500000000 ] - [ -0.0012393500000000, -0.0001857700000000, -0.0014794400000000 ] - [ 0.0020180000000000, 0.0026473400000000, 0.0054780100000000 ] - [ -0.0014106500000000, -0.0003590700000000, -0.0005096600000000 ] - [ -0.0000851400000000, -0.0001440300000000, 0.0000814400000000 ] - [ -0.0002083300000000, -0.0005419100000000, -0.0045660400000000 ] - [ -0.0025200500000000, -0.0016757300000000, -0.0033536200000000 ] - [ -0.0000939600000000, 0.0001509000000000, 0.0007894200000000 ] - [ 0.0064238000000000, 0.0057943100000000, 0.0026572600000000 ] - [ -0.0017971500000000, -0.0005599900000000, -0.0001209900000000 ] - [ -0.0001713800000000, 0.0002339000000000, -0.0017419300000000 ] - [ 0.0012118200000000, -0.0003956400000000, 0.0030974600000000 ] - [ -0.0171291300000000, 0.0047939600000000, -0.0078366400000000 ] - [ 0.0041387600000000, 0.0006003600000000, 0.0000564500000000 ] - [ -0.1012207100000000, -0.0638365200000000, -0.0562246900000000 ] - [ 0.0033414500000000, -0.0000089400000000, -0.0003010100000000 ] - [ -0.0047732500000000, -0.0012304900000000, -0.0053875400000000 ] - [ 0.0017857700000000, 0.0000779100000000, 0.0021537800000000 ] - [ 0.0028207900000000, 0.0011584200000000, -0.0039311300000000 ] - [ 0.0147930100000000, 0.0008583900000000, -0.0003741800000000 ] - [ -0.0013776200000000, 0.0003786200000000, 0.0004917900000000 ] - [ 0.0002380900000000, 0.0005212200000000, 0.0021184400000000 ] - [ 0.0040524900000000, -0.0053889900000000, -0.0205156600000000 ] - [ 0.0065130800000000, 0.0001970400000000, 0.0004754700000000 ] - [ -0.0017882400000000, 0.0006808800000000, 0.0052872300000000 ] - [ 0.0006638800000000, -0.0006753100000000, -0.0022456300000000 ] - [ -0.0009003900000000, 0.0007476700000000, -0.0010556200000000 ] - [ 0.0032777600000000, -0.0006619500000000, 0.0043218000000000 ] - [ -0.0068035600000000, 0.0066942400000000, 0.0086158900000000 ] - [ 0.0012912300000000, -0.0001846000000000, 0.0001179500000000 ] - [ 0.0054380700000000, 0.0000269100000000, -0.0012373300000000 ] - [ 0.0048740900000000, -0.0139076900000000, -0.0054989900000000 ] - [ 0.0003264300000000, -0.0001031900000000, -0.0013242600000000 ] - [ 0.0018843900000000, 0.0001072500000000, 0.0031050600000000 ] - [ -0.0741591000000000, -0.0256295000000000, -0.0274456100000000 ] - [ 0.0045497900000000, 0.0002195600000000, 0.0001537900000000 ] - [ -0.0030602800000000, -0.0021084900000000, -0.0048401300000000 ] - [ 0.0029742300000000, -0.0009860600000000, 0.0051308300000000 ] - [ 0.0089404600000000, 0.0152947700000000, -0.0086029300000000 ] - [ 0.0056974300000000, 0.0007159100000000, -0.0005358100000000 ] - [ -0.0027103800000000, 0.0005882300000000, -0.0027567300000000 ] - [ 0.0019342700000000, -0.0000343400000000, 0.0046542100000000 ] - [ -0.0124608400000000, 0.0020812400000000, -0.0024032900000000 ] - [ 0.0043957500000000, 0.0006333100000000, 0.0005922700000000 ] - [ 0.0003040900000000, -0.0004871900000000, -0.0018570700000000 ] - [ 0.0010314700000000, 0.0006701700000000, 0.0054046100000000 ] - [ 0.0064821400000000, -0.0187810400000000, 0.0053306800000000 ] - [ 0.0051367000000000, 0.0004258800000000, -0.0034245200000000 ] - [ 0.0008247800000000, 0.0004383100000000, -0.0015839600000000 ] - [ -0.0018647000000000, 0.0017246800000000, 0.0034463000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012059000000000, 0.0001428100000000, -0.0012297100000000 ] - [ -0.0001749100000000, 0.0003266000000000, 0.0001638500000000 ] - [ 0.0001776000000000, -0.0001263200000000, 0.0000973500000000 ] - [ 0.0000502200000000, -0.0000694500000000, -0.0002590500000000 ] - [ -0.0001024200000000, -0.0019474400000000, -0.0008665100000000 ] - [ -0.0002401800000000, -0.0001561400000000, 0.0000196900000000 ] - [ -0.0002826400000000, 0.0000467400000000, 0.0001027900000000 ] - [ 0.0002651800000000, 0.0014483200000000, -0.0006480900000000 ] - [ 0.0022300900000000, 0.0042432100000000, -0.0006831700000000 ] - [ 0.0035174800000000, 0.0029429500000000, -0.0003924200000000 ] - [ 0.0002269700000000, 0.0007469900000000, -0.0006667100000000 ] - [ 0.0008005900000000, 0.0006938200000000, -0.0000924500000000 ] - [ 0.0349059500000000, 0.0355572100000000, 0.0004998400000000 ] - [ 0.0000797000000000, 0.0008907600000000, 0.0003356000000000 ] - [ -0.0006536400000000, -0.0006672200000000, 0.0004839800000000 ] - [ -0.0003486300000000, -0.0006661700000000, 0.0010449000000000 ] - [ 0.0008659500000000, 0.0056035400000000, -0.0041595700000000 ] - [ 0.0013145400000000, 0.0000033600000000, -0.0009186800000000 ] - [ -0.0010082000000000, 0.0007472000000000, -0.0014925800000000 ] - [ 0.0024528700000000, -0.0009419700000000, 0.0015840400000000 ] - [ -0.0013078000000000, -0.0007092900000000, -0.0038891600000000 ] - [ 0.0005830100000000, 0.0003021300000000, 0.0012417700000000 ] - [ -0.0006621900000000, 0.0001539500000000, -0.0027065000000000 ] - [ 0.0007795200000000, -0.0004439700000000, 0.0015958300000000 ] - [ 0.0028744300000000, -0.0002291700000000, -0.0003721100000000 ] - [ -0.0002121900000000, -0.0003911100000000, -0.0005086700000000 ] - [ -0.0009822000000000, -0.0008100300000000, 0.0006020900000000 ] - [ -0.0006268600000000, -0.0005048800000000, 0.0003548800000000 ] - [ -0.0026786800000000, 0.0011696400000000, -0.0001715900000000 ] - [ 0.0020778800000000, -0.0004957800000000, 0.0003468300000000 ] - [ -0.0003227500000000, -0.0002471700000000, -0.0000042900000000 ] - [ 0.0002378600000000, -0.0001596400000000, 0.0005697300000000 ] - [ -0.0053663300000000, 0.0064695000000000, 0.0010032900000000 ] - [ 0.0008155500000000, -0.0001078000000000, -0.0003646600000000 ] - [ -0.0001077800000000, 0.0000754100000000, -0.0001673300000000 ] - [ 0.0003040900000000, 0.0000486000000000, 0.0003125700000000 ] - [ -0.0058792900000000, 0.0248503600000000, 0.0297017700000000 ] - [ 0.0007965100000000, -0.0004717900000000, -0.0001334400000000 ] - [ -0.0009733800000000, -0.0014985600000000, -0.0005434700000000 ] - [ -0.0001544600000000, -0.0004448500000000, 0.0004206900000000 ] - [ -0.0000401700000000, 0.0019717800000000, 0.0019570900000000 ] - [ 0.0003141300000000, 0.0003098900000000, 0.0002280100000000 ] - [ -0.0025158800000000, 0.0003775500000000, 0.0009849400000000 ] - [ 0.0013873000000000, 0.0005316700000000, -0.0000824000000000 ] - [ 0.0003660400000000, 0.0011802200000000, -0.0000036500000000 ] - [ 0.0005484500000000, 0.0003473100000000, 0.0001569000000000 ] - [ -0.0033325600000000, -0.0044706300000000, -0.0006729000000000 ] - [ -0.0001687500000000, -0.0000949400000000, 0.0003496100000000 ] - [ 0.0074938800000000, -0.0043231500000000, -0.0124276800000000 ] - [ 0.0002184900000000, 0.0000801400000000, -0.0007160100000000 ] - [ 0.0001167400000000, 0.0003418700000000, 0.0015696600000000 ] - [ -0.0001042100000000, 0.0003266000000000, 0.0014459800000000 ] - [ -0.0001740900000000, 0.0000188200000000, 0.0006214200000000 ] - [ 0.0026150700000000, -0.0004077000000000, -0.0015571000000000 ] - [ -0.0003104200000000, -0.0003968400000000, -0.0018699400000000 ] - [ -0.0002551300000000, -0.0003826400000000, 0.0001995000000000 ] - [ -0.0002671200000000, -0.0086478000000000, -0.0007670600000000 ] - [ 0.0009581100000000, -0.0011474300000000, -0.0003948000000000 ] - [ 0.0002105500000000, -0.0000262100000000, 0.0003273800000000 ] - [ -0.0002697500000000, 0.0020493700000000, 0.0018288800000000 ] - [ -0.0003740000000000, 0.0010266700000000, 0.0009754000000000 ] - [ -0.0006129600000000, 0.0012331200000000, 0.0000301200000000 ] - [ -0.0000069300000000, -0.0000964000000000, -0.0005335600000000 ] - [ 0.0002966400000000, 0.0001115100000000, 0.0007121400000000 ] - [ -0.1604302900000000, -0.2283325300000000, -0.1425387000000000 ] - [ 0.0004315500000000, -0.0000940500000000, -0.0001107800000000 ] - [ 0.0001713100000000, -0.0001060000000000, 0.0001857900000000 ] - [ 0.0008739200000000, -0.0004258800000000, 0.0010073100000000 ] - [ -0.0001899100000000, -0.0000385800000000, 0.0001340800000000 ] - [ 0.0005544100000000, -0.0001678800000000, 0.0017688300000000 ] - [ -0.0006424300000000, 0.0003888900000000, -0.0006093800000000 ] - [ 0.0005324000000000, -0.0002240500000000, 0.0003812400000000 ] - [ 0.0003922300000000, 0.0008990200000000, 0.0002982600000000 ] - [ 0.0125520100000000, 0.0086084200000000, 0.0025426800000000 ] - [ -0.0014625600000000, 0.0003026100000000, -0.0009228600000000 ] - [ 0.0009644100000000, -0.0000917400000000, -0.0000903300000000 ] - [ 0.0016376900000000, -0.0007121600000000, -0.0018731600000000 ] - [ 0.0013372500000000, -0.0004994100000000, 0.0000136800000000 ] - [ 0.0002016700000000, 0.0001058100000000, 0.0008555100000000 ] - [ -0.0005640700000000, 0.0000798500000000, 0.0003063200000000 ] - [ -0.0009096200000000, 0.0032018900000000, 0.0098886800000000 ] - [ 0.0006502200000000, -0.0000348100000000, -0.0001423500000000 ] - [ 0.0005994500000000, 0.0004645400000000, -0.0007873100000000 ] - [ -0.0004502800000000, -0.0001362500000000, -0.0003409300000000 ] - [ -0.0004325600000000, -0.0004493200000000, 0.0006597300000000 ] - [ -0.0000788300000000, -0.0002033600000000, -0.0006820100000000 ] - [ 0.0000063800000000, -0.0000935800000000, -0.0001341100000000 ] - [ 0.0006547700000000, -0.0000191500000000, 0.0017033200000000 ] - [ -0.0010521800000000, 0.0179545100000000, -0.0024239500000000 ] - [ 0.0005692700000000, -0.0010161900000000, 0.0002187700000000 ] - [ -0.0000468100000000, -0.0009343900000000, -0.0001769200000000 ] - [ 0.0004129100000000, -0.0007138200000000, 0.0005758400000000 ] - [ 0.0027895500000000, -0.0090788100000000, 0.0020785300000000 ] - [ 0.0007767500000000, 0.0002573800000000, 0.0001338100000000 ] - [ -0.0002856000000000, 0.0007627700000000, -0.0001677600000000 ] - [ 0.0006417400000000, 0.0013535400000000, 0.0007160300000000 ] - [ -0.0025060100000000, -0.0006305700000000, -0.0038946500000000 ] - [ 0.0010494200000000, -0.0000344900000000, 0.0011590300000000 ] - [ 0.0000115400000000, -0.0001217900000000, -0.0004200200000000 ] - [ 0.0001832900000000, 0.0001562600000000, 0.0028644300000000 ] - [ 0.0022012800000000, 0.0024093500000000, 0.0028276700000000 ] - [ -0.0005548300000000, 0.0001762000000000, -0.0013183100000000 ] - [ -0.0049534400000000, 0.0036930100000000, -0.0034087600000000 ] - [ 0.0013604900000000, 0.0008206900000000, 0.0006187500000000 ] - [ -0.0000829500000000, 0.0005471700000000, 0.0001740500000000 ] - [ -0.0012368400000000, 0.0009450600000000, -0.0014914700000000 ] - [ 0.0103869900000000, -0.0144362700000000, 0.0073087200000000 ] - [ -0.0012028500000000, -0.0000492600000000, 0.0002079100000000 ] - [ 0.0861919700000000, 0.1564245300000000, 0.0943870600000000 ] - [ -0.0018175900000000, -0.0001713400000000, -0.0001676300000000 ] - [ 0.0026619100000000, 0.0023447900000000, 0.0032371400000000 ] - [ -0.0007941100000000, 0.0003307200000000, -0.0014621100000000 ] - [ 0.0002126000000000, -0.0028785200000000, 0.0006978300000000 ] - [ -0.0101062700000000, -0.0006256900000000, 0.0011110000000000 ] - [ -0.0010009300000000, -0.0023160800000000, -0.0016854200000000 ] - [ -0.0000046600000000, -0.0006541400000000, -0.0005793000000000 ] - [ -0.0012598200000000, 0.0055389600000000, 0.0100987800000000 ] - [ -0.0014378100000000, 0.0003250500000000, -0.0009827700000000 ] - [ 0.0003375700000000, 0.0009657000000000, -0.0024942300000000 ] - [ 0.0005477000000000, 0.0006737000000000, -0.0003786800000000 ] - [ 0.0017559100000000, -0.0003496800000000, 0.0014406800000000 ] - [ -0.0022963400000000, -0.0013301200000000, -0.0029164100000000 ] - [ 0.0031593000000000, -0.0055965000000000, -0.0058927400000000 ] - [ -0.0013239000000000, -0.0002348100000000, 0.0007302400000000 ] - [ -0.0032291500000000, 0.0000937400000000, -0.0005665500000000 ] - [ 0.0007911500000000, 0.0041256400000000, 0.0043384100000000 ] - [ 0.0008109100000000, -0.0007247300000000, 0.0004646600000000 ] - [ -0.0005957100000000, -0.0006951500000000, -0.0011951100000000 ] - [ 0.0211101400000000, 0.0190443600000000, 0.0104474300000000 ] - [ -0.0014331800000000, 0.0008765300000000, 0.0002771600000000 ] - [ 0.0022481400000000, 0.0012360500000000, 0.0002248000000000 ] - [ -0.0020895800000000, 0.0001154200000000, -0.0028977400000000 ] - [ -0.0082799000000000, -0.0169537600000000, 0.0076706700000000 ] - [ -0.0016910500000000, -0.0017826300000000, 0.0011105500000000 ] - [ 0.0015567600000000, 0.0001108600000000, 0.0014727000000000 ] - [ -0.0006102800000000, 0.0006492900000000, -0.0023067800000000 ] - [ 0.0161249300000000, -0.0110523100000000, -0.0018974200000000 ] - [ -0.0023215600000000, 0.0005013200000000, -0.0010874100000000 ] - [ 0.0004199200000000, -0.0004114500000000, 0.0013526400000000 ] - [ -0.0010870600000000, -0.0006273200000000, -0.0020468300000000 ] - [ 0.0026298000000000, 0.0052429100000000, 0.0006869200000000 ] - [ -0.0023320500000000, -0.0009365100000000, 0.0014014300000000 ] - [ -0.0003982000000000, 0.0004544700000000, -0.0004197700000000 ] - [ 0.0005305800000000, -0.0014830600000000, -0.0018417400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009965700000000, -0.0001048100000000, 0.0012228100000000 ] - [ -0.0000442800000000, -0.0003022300000000, -0.0001798300000000 ] - [ 0.0000422700000000, 0.0001490000000000, -0.0000805500000000 ] - [ 0.0001687600000000, 0.0000901800000000, 0.0002756700000000 ] - [ 0.0003266500000000, 0.0019267500000000, 0.0008879200000000 ] - [ 0.0004576500000000, 0.0001320900000000, -0.0000032200000000 ] - [ 0.0000624400000000, -0.0000691800000000, -0.0001190400000000 ] - [ -0.0004837000000000, -0.0014740100000000, 0.0006182700000000 ] - [ -0.0010110300000000, -0.0041696400000000, 0.0003325200000000 ] - [ -0.0023198700000000, -0.0029040000000000, 0.0000410700000000 ] - [ 0.0009741300000000, 0.0002194200000000, -0.0006751600000000 ] - [ 0.0004005400000000, 0.0002719400000000, -0.0012492300000000 ] - [ -0.0354363700000000, -0.0341063100000000, 0.0008493000000000 ] - [ -0.0012800500000000, 0.0000751100000000, 0.0010052300000000 ] - [ -0.0005469600000000, -0.0002991100000000, 0.0008566300000000 ] - [ -0.0008538900000000, -0.0002978300000000, 0.0002971400000000 ] - [ 0.0003399600000000, -0.0065684100000000, 0.0028255900000000 ] - [ -0.0001126900000000, -0.0009680700000000, -0.0004231400000000 ] - [ 0.0008796100000000, -0.0007482600000000, 0.0004876300000000 ] - [ -0.0025796700000000, 0.0009366900000000, -0.0025902800000000 ] - [ 0.0014248900000000, 0.0006944200000000, 0.0048688600000000 ] - [ -0.0004545900000000, -0.0003083700000000, -0.0002344200000000 ] - [ 0.0007892800000000, -0.0001482000000000, 0.0037078600000000 ] - [ -0.0006577200000000, 0.0004515600000000, -0.0005929000000000 ] - [ -0.0038606800000000, 0.0008635600000000, 0.0007590200000000 ] - [ -0.0007781300000000, 0.0010160900000000, 0.0008904000000000 ] - [ -0.0000209700000000, 0.0001694700000000, -0.0002150600000000 ] - [ -0.0003829400000000, -0.0001364800000000, 0.0000334800000000 ] - [ 0.0036732300000000, -0.0018047700000000, -0.0002163500000000 ] - [ -0.0010661700000000, -0.0001451500000000, -0.0007322600000000 ] - [ 0.0003524200000000, 0.0004347400000000, 0.0001202300000000 ] - [ -0.0002068200000000, 0.0003485000000000, -0.0004527200000000 ] - [ 0.0053332200000000, -0.0062678500000000, -0.0011113200000000 ] - [ -0.0008437800000000, 0.0002947200000000, 0.0002474700000000 ] - [ 0.0000787600000000, -0.0002617400000000, 0.0000504900000000 ] - [ -0.0003349400000000, -0.0002365100000000, -0.0004287200000000 ] - [ 0.0058705500000000, -0.0248065600000000, -0.0290623400000000 ] - [ -0.0007651900000000, 0.0002827400000000, 0.0002490700000000 ] - [ -0.0002342600000000, 0.0015380700000000, 0.0008982100000000 ] - [ -0.0010477900000000, 0.0004893200000000, -0.0000696700000000 ] - [ -0.0000828500000000, -0.0019554900000000, -0.0029456900000000 ] - [ -0.0004410900000000, -0.0003035400000000, -0.0012340900000000 ] - [ 0.0035273000000000, 0.0002641200000000, -0.0013751600000000 ] - [ -0.0003769300000000, 0.0001106800000000, -0.0003070300000000 ] - [ 0.0008377600000000, -0.0012193200000000, -0.0003462200000000 ] - [ 0.0006539800000000, -0.0003910700000000, -0.0005081900000000 ] - [ 0.0021226300000000, 0.0044109400000000, 0.0010207700000000 ] - [ -0.0010381200000000, 0.0000458400000000, 0.0000020300000000 ] - [ -0.0078667700000000, 0.0047902900000000, 0.0109983400000000 ] - [ -0.0006228600000000, 0.0003409800000000, -0.0007158600000000 ] - [ 0.0002847700000000, 0.0000799100000000, -0.0001291700000000 ] - [ 0.0005034000000000, 0.0000938700000000, -0.0000072200000000 ] - [ 0.0005682600000000, -0.0004300200000000, 0.0008303900000000 ] - [ -0.0022158000000000, -0.0000120000000000, 0.0029952100000000 ] - [ -0.0000921600000000, -0.0000266100000000, 0.0004301900000000 ] - [ -0.0001445000000000, -0.0000387100000000, -0.0016366300000000 ] - [ 0.0005441600000000, 0.0078608800000000, 0.0001185300000000 ] - [ -0.0007510700000000, 0.0004072800000000, -0.0002823900000000 ] - [ -0.0004121300000000, -0.0007073600000000, 0.0003504400000000 ] - [ 0.0000655200000000, -0.0027868100000000, -0.0011542800000000 ] - [ 0.0001692200000000, -0.0002785100000000, -0.0002953300000000 ] - [ 0.0004079900000000, -0.0004951700000000, 0.0006472100000000 ] - [ 0.0002091600000000, 0.0008309900000000, -0.0001449900000000 ] - [ -0.0000931500000000, 0.0006202400000000, -0.0013980900000000 ] - [ 0.1548574700000000, 0.2229654400000000, 0.1361569500000000 ] - [ -0.0012777600000000, -0.0006676600000000, -0.0007504200000000 ] - [ 0.0006760200000000, -0.0006556600000000, 0.0006757300000000 ] - [ -0.0000268300000000, -0.0003368000000000, -0.0001451100000000 ] - [ 0.0003400500000000, 0.0003271800000000, 0.0006354700000000 ] - [ -0.0004035600000000, 0.0004566600000000, -0.0010021800000000 ] - [ -0.0002052600000000, 0.0003733600000000, -0.0002532700000000 ] - [ -0.0013789100000000, 0.0009858600000000, -0.0012429300000000 ] - [ -0.0010522400000000, -0.0005915700000000, 0.0002618700000000 ] - [ -0.0132198100000000, -0.0083565400000000, -0.0019984000000000 ] - [ 0.0021181600000000, -0.0000037300000000, 0.0003655400000000 ] - [ -0.0002977600000000, 0.0003934900000000, -0.0004671000000000 ] - [ -0.0009703300000000, 0.0004069500000000, 0.0013121200000000 ] - [ -0.0006923400000000, 0.0001989100000000, -0.0005742000000000 ] - [ -0.0008589300000000, -0.0004083400000000, -0.0002959600000000 ] - [ -0.0001009000000000, -0.0003814900000000, 0.0002512100000000 ] - [ 0.0015459300000000, -0.0030247700000000, -0.0097339300000000 ] - [ -0.0000116500000000, 0.0002073100000000, 0.0003288300000000 ] - [ -0.0012326900000000, -0.0002902500000000, 0.0005981400000000 ] - [ -0.0001907600000000, 0.0002947100000000, 0.0001585500000000 ] - [ -0.0002042200000000, 0.0002810500000000, -0.0008554800000000 ] - [ -0.0005589200000000, 0.0000308900000000, 0.0004947100000000 ] - [ 0.0006300500000000, -0.0000793300000000, 0.0003202000000000 ] - [ -0.0000171900000000, -0.0001569700000000, -0.0015117500000000 ] - [ 0.0007991900000000, -0.0195666500000000, 0.0023790500000000 ] - [ -0.0007591000000000, -0.0004099900000000, -0.0002425800000000 ] - [ 0.0002373100000000, -0.0004914700000000, 0.0002006300000000 ] - [ -0.0002225900000000, -0.0007133600000000, -0.0005481900000000 ] - [ -0.0027394200000000, 0.0104484000000000, -0.0021642000000000 ] - [ -0.0005860200000000, 0.0011688400000000, -0.0001101900000000 ] - [ 0.0000949900000000, 0.0006633000000000, 0.0001430000000000 ] - [ -0.0008319200000000, 0.0000720000000000, -0.0007404600000000 ] - [ 0.0026488900000000, 0.0003259200000000, 0.0046387400000000 ] - [ -0.0008940300000000, -0.0002531300000000, -0.0003832200000000 ] - [ -0.0001615300000000, -0.0001658700000000, -0.0003502300000000 ] - [ -0.0003349100000000, -0.0004449800000000, -0.0036402200000000 ] - [ -0.0023403500000000, -0.0021124200000000, -0.0035703100000000 ] - [ 0.0004015500000000, 0.0001105500000000, 0.0005432700000000 ] - [ 0.0058396100000000, -0.0029600000000000, 0.0043164100000000 ] - [ -0.0005128500000000, -0.0000579600000000, 0.0002432200000000 ] - [ -0.0006430600000000, -0.0000728100000000, -0.0005166700000000 ] - [ 0.0005104500000000, -0.0004739400000000, 0.0011445800000000 ] - [ -0.0096986000000000, 0.0148864900000000, -0.0070048800000000 ] - [ 0.0019270500000000, 0.0005217200000000, 0.0001364400000000 ] - [ -0.0818610600000000, -0.1526024400000000, -0.0893190100000000 ] - [ 0.0010900300000000, -0.0003014800000000, -0.0001757000000000 ] - [ -0.0024228700000000, -0.0021821800000000, -0.0038944400000000 ] - [ 0.0010124100000000, -0.0001872400000000, 0.0007933300000000 ] - [ -0.0004343300000000, 0.0029995300000000, -0.0000422200000000 ] - [ 0.0098949500000000, 0.0007677900000000, -0.0004406200000000 ] - [ 0.0007683300000000, 0.0021626600000000, 0.0023430200000000 ] - [ -0.0002159300000000, 0.0005107300000000, 0.0012467100000000 ] - [ 0.0014715400000000, -0.0056673100000000, -0.0107364900000000 ] - [ 0.0016772400000000, -0.0004632400000000, 0.0003116400000000 ] - [ 0.0003581400000000, -0.0007768400000000, 0.0011703400000000 ] - [ 0.0001559600000000, -0.0004852600000000, -0.0009554900000000 ] - [ -0.0024476500000000, 0.0005371700000000, -0.0001020600000000 ] - [ 0.0015896300000000, 0.0015116100000000, 0.0042278300000000 ] - [ -0.0038623500000000, 0.0054178400000000, 0.0072382300000000 ] - [ 0.0006188000000000, 0.0000461000000000, 0.0006055000000000 ] - [ 0.0039116200000000, -0.0002794300000000, -0.0007709300000000 ] - [ -0.0001115600000000, -0.0042287700000000, -0.0056429000000000 ] - [ -0.0000852700000000, 0.0002510100000000, -0.0001193300000000 ] - [ 0.0013219200000000, 0.0002228200000000, 0.0015390500000000 ] - [ -0.0217444100000000, -0.0181445600000000, -0.0097950100000000 ] - [ 0.0016685700000000, 0.0000400300000000, 0.0007279300000000 ] - [ -0.0027379100000000, -0.0020050400000000, -0.0007739500000000 ] - [ 0.0015953100000000, -0.0008815700000000, 0.0023519900000000 ] - [ 0.0087175400000000, 0.0161203000000000, -0.0071059900000000 ] - [ 0.0021752900000000, 0.0010254400000000, -0.0005601100000000 ] - [ -0.0010666900000000, 0.0006488500000000, -0.0009215100000000 ] - [ 0.0011059300000000, 0.0001145600000000, 0.0028584400000000 ] - [ -0.0165609400000000, 0.0117934200000000, 0.0013528900000000 ] - [ 0.0018273200000000, 0.0002661200000000, 0.0005358600000000 ] - [ -0.0001817000000000, -0.0005033000000000, -0.0003393600000000 ] - [ 0.0013212100000000, -0.0002806000000000, 0.0030584000000000 ] - [ -0.0028470800000000, -0.0062434300000000, -0.0016941100000000 ] - [ 0.0020932500000000, 0.0000180500000000, -0.0024109500000000 ] - [ 0.0001585200000000, 0.0004611100000000, -0.0005910600000000 ] - [ -0.0007612100000000, 0.0024059500000000, 0.0008259200000000 ]- atom: 65 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0004060200000000, -0.0001379500000000, 0.0001273900000000 ] - [ 0.0004183900000000, -0.0001861000000000, -0.0002319200000000 ] - [ 0.0002838700000000, 0.0000519200000000, -0.0002973700000000 ] - [ -0.0001407300000000, -0.0000292900000000, 0.0001264100000000 ] - [ -0.0002615200000000, 0.0000782700000000, 0.0004632300000000 ] - [ 0.0004342800000000, -0.0000095100000000, -0.0000694600000000 ] - [ 0.0000494200000000, -0.0000193200000000, -0.0001799200000000 ] - [ -0.0013107400000000, 0.0002300800000000, -0.0006996400000000 ] - [ -0.0003227000000000, -0.0014929600000000, -0.0002403700000000 ] - [ 0.0002467600000000, -0.0003988000000000, -0.0003621600000000 ] - [ -0.0002153200000000, 0.0012168300000000, 0.0002089000000000 ] - [ 0.0008904900000000, 0.0002588700000000, -0.0008625400000000 ] - [ -0.0156325900000000, -0.0255766800000000, -0.0061146800000000 ] - [ -0.0009962200000000, 0.0002989400000000, 0.0007443200000000 ] - [ -0.0012855600000000, 0.0000765700000000, 0.0015438800000000 ] - [ -0.0003424200000000, -0.0006233300000000, 0.0006265200000000 ] - [ 0.0022435100000000, 0.0021753100000000, -0.0026449600000000 ] - [ 0.0001561300000000, -0.0007903500000000, -0.0005131800000000 ] - [ -0.0009110100000000, 0.0003660300000000, -0.0000022100000000 ] - [ -0.0004393100000000, 0.0002086000000000, -0.0011430900000000 ] - [ 0.0003410100000000, -0.0001910900000000, 0.0021436100000000 ] - [ -0.0001186200000000, -0.0001044400000000, 0.0002486600000000 ] - [ 0.0003895500000000, -0.0009127200000000, 0.0032320900000000 ] - [ 0.0001530500000000, -0.0000201200000000, 0.0005679700000000 ] - [ -0.0025665800000000, 0.0006376200000000, 0.0003422100000000 ] - [ -0.0005365800000000, 0.0001727200000000, -0.0003429700000000 ] - [ 0.0001078100000000, -0.0003983100000000, 0.0004777800000000 ] - [ -0.0006988900000000, -0.0003301900000000, 0.0004877800000000 ] - [ -0.0015426900000000, 0.0004635800000000, -0.0000078900000000 ] - [ 0.0000187600000000, -0.0002184000000000, -0.0005963700000000 ] - [ -0.0010203500000000, -0.0003948900000000, 0.0008499400000000 ] - [ 0.0003909900000000, 0.0002816500000000, -0.0001002300000000 ] - [ 0.0023186100000000, -0.0018624400000000, -0.0015416900000000 ] - [ -0.0004653600000000, 0.0002180600000000, 0.0000084800000000 ] - [ -0.0008002500000000, -0.0005365000000000, 0.0006517100000000 ] - [ 0.0002733000000000, 0.0000088100000000, -0.0001244000000000 ] - [ 0.0036941600000000, 0.0256449500000000, 0.0145715700000000 ] - [ -0.0005172900000000, 0.0001647400000000, 0.0001950200000000 ] - [ -0.0012683100000000, -0.0000915900000000, 0.0020339100000000 ] - [ -0.0006526500000000, 0.0000250400000000, 0.0001516800000000 ] - [ 0.0004371600000000, 0.0012795600000000, 0.0016322200000000 ] - [ -0.0001431800000000, 0.0000182300000000, -0.0004465800000000 ] - [ 0.0008381700000000, 0.0006024700000000, 0.0003700900000000 ] - [ 0.0003755600000000, 0.0003034600000000, -0.0000899200000000 ] - [ 0.0007782100000000, 0.0002337500000000, 0.0002326300000000 ] - [ 0.0005437700000000, -0.0000149500000000, -0.0000439300000000 ] - [ -0.0017258400000000, 0.0006322100000000, 0.0013096200000000 ] - [ -0.0006350800000000, 0.0000097100000000, 0.0001115500000000 ] - [ -0.0109825200000000, -0.0018306200000000, 0.0039612100000000 ] - [ -0.0003160800000000, 0.0002032000000000, -0.0008313100000000 ] - [ -0.0000630300000000, 0.0001044200000000, 0.0019523500000000 ] - [ 0.0002260000000000, 0.0001448100000000, 0.0009879000000000 ] - [ 0.0001827500000000, -0.0002879600000000, -0.0006053900000000 ] - [ -0.0003843300000000, -0.0003834900000000, 0.0006003300000000 ] - [ -0.0007851500000000, -0.0007536500000000, 0.0012643200000000 ] - [ -0.0001290400000000, -0.0002095700000000, -0.0007695700000000 ] - [ 0.0021067000000000, -0.0005150800000000, -0.0025434200000000 ] - [ -0.0004778000000000, -0.0000054900000000, -0.0002803700000000 ] - [ -0.0002917300000000, -0.0004910300000000, 0.0005858800000000 ] - [ 0.0003491700000000, 0.0004555300000000, 0.0003451800000000 ] - [ 0.0001785200000000, -0.0000802400000000, -0.0002016600000000 ] - [ -0.0006510200000000, 0.0004647300000000, 0.0005462300000000 ] - [ -0.0001427500000000, 0.0003580300000000, 0.0001654600000000 ] - [ 0.0004998600000000, 0.0004076900000000, -0.0002989600000000 ] - [ 0.0279573900000000, -0.0239274200000000, -0.0698488900000000 ] - [ -0.0010629200000000, -0.0006094000000000, -0.0007091700000000 ] - [ 0.0000667800000000, -0.0003256800000000, 0.0006890000000000 ] - [ 0.0009249300000000, -0.0005934600000000, 0.0005980000000000 ] - [ 0.0002239900000000, 0.0000899800000000, 0.0016500400000000 ] - [ 0.0003284700000000, 0.0000495500000000, 0.0005337000000000 ] - [ -0.0007885700000000, 0.0004014900000000, -0.0000679600000000 ] - [ -0.0000352500000000, 0.0002641700000000, -0.0002970900000000 ] - [ -0.0015866700000000, -0.0002855800000000, 0.0000597800000000 ] - [ -0.0023007900000000, -0.0007026700000000, -0.0002223800000000 ] - [ 0.0014377800000000, -0.0007043400000000, 0.0005268000000000 ] - [ 0.0000617000000000, 0.0001749600000000, -0.0002006300000000 ] - [ -0.0024296000000000, -0.0006930300000000, 0.0008177100000000 ] - [ 0.0008431500000000, -0.0002301400000000, -0.0003403800000000 ] - [ 0.0005542300000000, -0.0002012600000000, 0.0006356900000000 ] - [ -0.0005750300000000, -0.0001710200000000, 0.0005021600000000 ] - [ 0.0034855700000000, 0.0023068600000000, 0.0008760600000000 ] - [ 0.0000576300000000, 0.0002442300000000, 0.0005392500000000 ] - [ -0.0009843000000000, -0.0001954700000000, 0.0005990400000000 ] - [ 0.0002133900000000, 0.0003999300000000, -0.0013515600000000 ] - [ 0.0001300600000000, -0.0002743900000000, -0.0007232300000000 ] - [ -0.0008223000000000, 0.0001790600000000, 0.0009063800000000 ] - [ -0.0003415900000000, -0.0003362700000000, 0.0010318300000000 ] - [ 0.0006722800000000, 0.0002602600000000, -0.0008314300000000 ] - [ 0.0021907900000000, -0.0013948900000000, -0.0017425400000000 ] - [ -0.0006042100000000, -0.0004902700000000, -0.0001935100000000 ] - [ -0.0001882000000000, -0.0007714700000000, 0.0002903300000000 ] - [ 0.0005844200000000, -0.0005230100000000, 0.0001241100000000 ] - [ 0.0072521300000000, 0.0014079400000000, -0.0056941700000000 ] - [ -0.0005924400000000, 0.0010835500000000, -0.0001866000000000 ] - [ -0.0003347900000000, 0.0006864100000000, 0.0003478300000000 ] - [ 0.0002158600000000, 0.0008440300000000, 0.0000291400000000 ] - [ -0.0008103500000000, 0.0001059700000000, -0.0021010200000000 ] - [ -0.0005146200000000, -0.0002397600000000, -0.0000722300000000 ] - [ 0.0000491000000000, -0.0002361500000000, 0.0004190700000000 ] - [ 0.0002459900000000, -0.0001341200000000, 0.0006472100000000 ] - [ -0.0013449700000000, -0.0008968100000000, -0.0028731100000000 ] - [ -0.0005830300000000, 0.0000213500000000, -0.0007527000000000 ] - [ 0.0020580300000000, 0.0003176800000000, -0.0004885800000000 ] - [ -0.0003973300000000, -0.0000040400000000, 0.0001239200000000 ] - [ 0.0008918900000000, 0.0002295500000000, -0.0015897700000000 ] - [ -0.0011127900000000, 0.0001903300000000, -0.0001824600000000 ] - [ -0.0038968600000000, -0.0002350600000000, 0.0039649800000000 ] - [ 0.0014230200000000, 0.0004714300000000, 0.0002952600000000 ] - [ -0.0002869300000000, 0.0350759800000000, 0.0696575300000000 ] - [ 0.0007506700000000, -0.0003169500000000, -0.0000316900000000 ] - [ -0.0004752900000000, 0.0014770600000000, -0.0035127200000000 ] - [ 0.0003965100000000, 0.0001470500000000, -0.0002507100000000 ] - [ 0.0016262500000000, 0.0002408400000000, 0.0013117900000000 ] - [ 0.0011083300000000, 0.0002596700000000, 0.0013935100000000 ] - [ -0.0013644200000000, -0.0010259800000000, -0.0017736700000000 ] - [ 0.0001317400000000, -0.0000399000000000, -0.0000631100000000 ] - [ 0.0039384500000000, -0.0005185800000000, -0.0083873700000000 ] - [ -0.0000757600000000, -0.0001411600000000, -0.0000412700000000 ] - [ -0.0007935800000000, 0.0004974700000000, -0.0006868600000000 ] - [ 0.0006960600000000, -0.0000913400000000, -0.0021798800000000 ] - [ 0.0015906400000000, 0.0004964800000000, 0.0003752700000000 ] - [ 0.0000090900000000, 0.0003202800000000, 0.0032919600000000 ] - [ -0.0008625900000000, -0.0015219400000000, -0.0009595600000000 ] - [ -0.0001106700000000, -0.0000886100000000, -0.0000953600000000 ] - [ 0.0026411500000000, 0.0000084400000000, -0.0007723800000000 ] - [ 0.0004142100000000, 0.0004081400000000, 0.0026220100000000 ] - [ 0.0015141800000000, -0.0004012300000000, -0.0011371800000000 ] - [ -0.0002862200000000, -0.0000958200000000, 0.0002473000000000 ] - [ -0.0274278800000000, -0.0097104700000000, 0.0033587700000000 ] - [ 0.0015376800000000, 0.0004581200000000, 0.0006947200000000 ] - [ 0.0016338500000000, -0.0014980100000000, -0.0035468600000000 ] - [ -0.0004390500000000, -0.0004180600000000, 0.0001510500000000 ] - [ 0.0050203000000000, 0.0070116300000000, -0.0016416700000000 ] - [ 0.0011116300000000, -0.0001816300000000, 0.0007287100000000 ] - [ 0.0003607900000000, 0.0006624800000000, -0.0024769700000000 ] - [ -0.0000951400000000, 0.0004993900000000, -0.0003634000000000 ] - [ 0.0066091800000000, -0.0072803300000000, -0.0010410400000000 ] - [ 0.0006611600000000, 0.0002962600000000, -0.0000776700000000 ] - [ 0.0012556400000000, -0.0002943800000000, -0.0015159000000000 ] - [ -0.0010517900000000, -0.0005118200000000, 0.0005275700000000 ] - [ -0.0013613100000000, 0.0003122400000000, 0.0018447000000000 ] - [ 0.0023755300000000, 0.0001737200000000, -0.0007696300000000 ] - [ 0.0008046900000000, 0.0006183700000000, -0.0017432200000000 ] - [ -0.0018657600000000, 0.0007202800000000, -0.0005565900000000 ]- atom: 65 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0001969400000000, 0.0001709200000000, -0.0001332800000000 ] - [ -0.0006360300000000, 0.0002083800000000, 0.0002158800000000 ] - [ -0.0000636500000000, -0.0000286700000000, 0.0003135700000000 ] - [ 0.0003594900000000, 0.0000509800000000, -0.0001092300000000 ] - [ 0.0004830700000000, -0.0001031000000000, -0.0004460900000000 ] - [ -0.0002149800000000, -0.0000136500000000, 0.0000849700000000 ] - [ -0.0002693500000000, -0.0000035200000000, 0.0001625600000000 ] - [ 0.0010982900000000, -0.0002514000000000, 0.0006880100000000 ] - [ 0.0015237800000000, 0.0015268600000000, -0.0001063000000000 ] - [ 0.0009604000000000, 0.0004481200000000, 0.0000098400000000 ] - [ 0.0014194100000000, -0.0002543900000000, -0.0015527000000000 ] - [ 0.0003113300000000, 0.0007061900000000, -0.0004800000000000 ] - [ 0.0144288900000000, 0.0266520800000000, 0.0075142900000000 ] - [ -0.0002071600000000, 0.0006660100000000, 0.0005972100000000 ] - [ 0.0000846600000000, -0.0010413700000000, -0.0002016600000000 ] - [ -0.0008608600000000, -0.0003416200000000, 0.0007145700000000 ] - [ -0.0010365200000000, -0.0031342500000000, 0.0012994900000000 ] - [ 0.0010435800000000, -0.0001761500000000, -0.0008285100000000 ] - [ 0.0007944000000000, -0.0003805400000000, -0.0010011400000000 ] - [ 0.0003155100000000, -0.0002162000000000, 0.0001368300000000 ] - [ -0.0002111200000000, 0.0001895100000000, -0.0011264500000000 ] - [ 0.0002447200000000, 0.0000973300000000, 0.0007556500000000 ] - [ -0.0002596700000000, 0.0009172500000000, -0.0022157400000000 ] - [ -0.0000316600000000, 0.0000284000000000, 0.0004335500000000 ] - [ 0.0015539000000000, 0.0000040800000000, 0.0000495800000000 ] - [ -0.0004714100000000, 0.0004686700000000, 0.0007306800000000 ] - [ -0.0011071500000000, -0.0002407300000000, -0.0000903000000000 ] - [ -0.0003129700000000, -0.0003118800000000, -0.0000995900000000 ] - [ 0.0025468200000000, -0.0011017100000000, -0.0003812500000000 ] - [ 0.0009838900000000, -0.0004215500000000, 0.0002069500000000 ] - [ 0.0010541000000000, 0.0005847700000000, -0.0007352600000000 ] - [ -0.0003609000000000, -0.0000936200000000, 0.0002156500000000 ] - [ -0.0023421100000000, 0.0020427100000000, 0.0014250300000000 ] - [ 0.0004337900000000, -0.0000292900000000, -0.0001247700000000 ] - [ 0.0007705700000000, 0.0003478300000000, -0.0007672400000000 ] - [ -0.0003052600000000, -0.0001974000000000, 0.0000079200000000 ] - [ -0.0036233000000000, -0.0254324600000000, -0.0142418300000000 ] - [ 0.0005455400000000, -0.0003523600000000, -0.0000792900000000 ] - [ 0.0000704600000000, 0.0001434300000000, -0.0016963900000000 ] - [ -0.0005506100000000, 0.0000200900000000, 0.0001986900000000 ] - [ -0.0005611600000000, -0.0012728000000000, -0.0026341400000000 ] - [ 0.0000143600000000, -0.0000127300000000, -0.0005625800000000 ] - [ 0.0001603500000000, 0.0000373400000000, -0.0007603000000000 ] - [ 0.0006333500000000, 0.0003383500000000, -0.0002992300000000 ] - [ 0.0004274200000000, -0.0002808200000000, -0.0005833900000000 ] - [ 0.0006580200000000, -0.0000290900000000, -0.0003078700000000 ] - [ 0.0005244900000000, -0.0006727000000000, -0.0009568900000000 ] - [ -0.0005722300000000, -0.0000575600000000, 0.0002391700000000 ] - [ 0.0104061000000000, 0.0022039900000000, -0.0053485600000000 ] - [ -0.0000882500000000, 0.0002187700000000, -0.0006010100000000 ] - [ 0.0004647300000000, 0.0003166800000000, -0.0005151400000000 ] - [ 0.0001737200000000, 0.0002769300000000, 0.0004472900000000 ] - [ 0.0002168400000000, -0.0001323900000000, 0.0020564400000000 ] - [ 0.0007872500000000, -0.0000405200000000, 0.0008280000000000 ] - [ 0.0003853800000000, 0.0003364700000000, -0.0027030600000000 ] - [ -0.0002705400000000, -0.0002116800000000, -0.0006695900000000 ] - [ -0.0018944800000000, -0.0002179100000000, 0.0018684100000000 ] - [ 0.0006790000000000, -0.0007282500000000, -0.0003955100000000 ] - [ 0.0000897600000000, -0.0002432800000000, 0.0000918100000000 ] - [ -0.0005536900000000, -0.0011883300000000, 0.0003315200000000 ] - [ -0.0003821900000000, 0.0008201300000000, 0.0008765400000000 ] - [ 0.0004472800000000, 0.0002699300000000, 0.0001303900000000 ] - [ 0.0003438400000000, 0.0003767900000000, -0.0008430400000000 ] - [ -0.0002961100000000, 0.0003259900000000, -0.0003863600000000 ] - [ -0.0286945700000000, 0.0234254700000000, 0.0699738300000000 ] - [ 0.0002139000000000, -0.0001529000000000, -0.0001534000000000 ] - [ 0.0007825700000000, -0.0004379300000000, 0.0001741300000000 ] - [ -0.0000805300000000, -0.0001668000000000, 0.0002618900000000 ] - [ -0.0000748400000000, 0.0001982700000000, -0.0008840300000000 ] - [ -0.0001773500000000, 0.0002394400000000, 0.0002318000000000 ] - [ -0.0000579800000000, 0.0003609600000000, -0.0007940300000000 ] - [ -0.0008139500000000, 0.0004986800000000, -0.0005669100000000 ] - [ 0.0009257300000000, 0.0005868700000000, 0.0005001600000000 ] - [ 0.0016762500000000, 0.0009996300000000, 0.0007743000000000 ] - [ -0.0007771800000000, 0.0010134100000000, -0.0010872800000000 ] - [ 0.0006035200000000, 0.0001273400000000, -0.0003568100000000 ] - [ 0.0030758200000000, 0.0003906400000000, -0.0013655900000000 ] - [ -0.0001948800000000, -0.0000711200000000, -0.0002185500000000 ] - [ -0.0012133300000000, -0.0001025600000000, -0.0000785000000000 ] - [ -0.0000916700000000, -0.0001305900000000, 0.0000542700000000 ] - [ -0.0028635600000000, -0.0021331700000000, -0.0006754500000000 ] - [ 0.0005805600000000, -0.0000721400000000, -0.0003517200000000 ] - [ 0.0003445000000000, 0.0003660700000000, -0.0007827200000000 ] - [ -0.0008526200000000, -0.0002290200000000, 0.0011650700000000 ] - [ -0.0007655300000000, 0.0001053900000000, 0.0005280400000000 ] - [ 0.0001822200000000, -0.0003511600000000, -0.0010927900000000 ] - [ 0.0009793700000000, 0.0001652200000000, -0.0008462900000000 ] - [ -0.0000342700000000, -0.0004331900000000, 0.0010133200000000 ] - [ -0.0023797000000000, -0.0000426200000000, 0.0017193400000000 ] - [ 0.0004129700000000, -0.0009353500000000, 0.0001691500000000 ] - [ 0.0003798900000000, -0.0006520300000000, -0.0002652100000000 ] - [ -0.0003968900000000, -0.0009039600000000, -0.0001015500000000 ] - [ -0.0070947200000000, 0.0000008400000000, 0.0056280900000000 ] - [ 0.0007785600000000, 0.0003442800000000, 0.0002081100000000 ] - [ 0.0001455000000000, 0.0007392300000000, -0.0003719300000000 ] - [ -0.0004067600000000, 0.0005806700000000, -0.0000550500000000 ] - [ 0.0009623200000000, -0.0003953900000000, 0.0028665900000000 ] - [ 0.0006638900000000, -0.0000486600000000, 0.0008424800000000 ] - [ -0.0001978700000000, -0.0000526400000000, -0.0011855900000000 ] - [ -0.0003994700000000, -0.0001536700000000, -0.0014162300000000 ] - [ 0.0011918600000000, 0.0011805400000000, 0.0021033900000000 ] - [ 0.0004308700000000, 0.0002666000000000, -0.0000200500000000 ] - [ -0.0011969400000000, 0.0004528100000000, 0.0013587400000000 ] - [ 0.0012407400000000, 0.0007640300000000, 0.0007357400000000 ] - [ -0.0016216500000000, 0.0002406900000000, 0.0012452000000000 ] - [ 0.0003899900000000, 0.0002823900000000, -0.0001592100000000 ] - [ 0.0046057100000000, 0.0007175000000000, -0.0036291500000000 ] - [ -0.0006935100000000, 0.0000030600000000, 0.0000493600000000 ] - [ -0.0007268600000000, -0.0363601700000000, -0.0710953000000000 ] - [ -0.0014720500000000, -0.0001568500000000, -0.0003109900000000 ] - [ 0.0006940500000000, -0.0013566800000000, 0.0028472600000000 ] - [ -0.0001753100000000, -0.0000035000000000, -0.0004151200000000 ] - [ -0.0018593000000000, -0.0000847200000000, -0.0006583500000000 ] - [ -0.0013484600000000, -0.0001126300000000, -0.0007164400000000 ] - [ 0.0011357000000000, 0.0008835400000000, 0.0024392500000000 ] - [ -0.0003502100000000, -0.0001032800000000, 0.0007337000000000 ] - [ -0.0037101200000000, 0.0003537400000000, 0.0076627200000000 ] - [ 0.0003130700000000, -0.0000002800000000, -0.0006282300000000 ] - [ 0.0014862000000000, -0.0003111100000000, -0.0006377400000000 ] - [ 0.0000114600000000, 0.0002783200000000, 0.0008460800000000 ] - [ -0.0022887500000000, -0.0003084200000000, 0.0009628100000000 ] - [ -0.0007060400000000, -0.0001324200000000, -0.0019541000000000 ] - [ 0.0001772000000000, 0.0013235900000000, 0.0022884200000000 ] - [ -0.0005941000000000, -0.0000991300000000, 0.0014286100000000 ] - [ -0.0019343100000000, -0.0001960800000000, -0.0005665100000000 ] - [ 0.0002869900000000, -0.0005922300000000, -0.0039533700000000 ] - [ -0.0007907200000000, -0.0000685600000000, 0.0014803000000000 ] - [ 0.0010147900000000, -0.0003773600000000, 0.0000987100000000 ] - [ 0.0279514200000000, 0.0107601300000000, -0.0024007400000000 ] - [ -0.0012975900000000, 0.0004554100000000, 0.0003117100000000 ] - [ -0.0021340700000000, 0.0007429800000000, 0.0030137200000000 ] - [ -0.0000538500000000, -0.0003461400000000, -0.0006966700000000 ] - [ -0.0045101300000000, -0.0077382400000000, 0.0021561100000000 ] - [ -0.0006187600000000, -0.0005850600000000, -0.0001785000000000 ] - [ 0.0001225000000000, 0.0001019500000000, 0.0030159600000000 ] - [ 0.0005921500000000, 0.0002660700000000, 0.0009135600000000 ] - [ -0.0071012500000000, 0.0080379600000000, 0.0004965800000000 ] - [ -0.0011459100000000, 0.0004687100000000, -0.0004689800000000 ] - [ -0.0010173000000000, -0.0006224800000000, 0.0025288900000000 ] - [ 0.0012880600000000, -0.0003992900000000, 0.0004911600000000 ] - [ 0.0011353900000000, -0.0012893600000000, -0.0028673200000000 ] - [ -0.0026023400000000, -0.0010836000000000, -0.0002351200000000 ] - [ -0.0010453200000000, 0.0002971600000000, 0.0007283500000000 ] - [ 0.0016347400000000, 0.0001918300000000, -0.0004521900000000 ]- atom: 69 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0004368200000000, 0.0000752700000000, -0.0001331700000000 ] - [ 0.0005439700000000, 0.0001502500000000, -0.0002885200000000 ] - [ 0.0019241100000000, -0.0002472100000000, 0.0010100500000000 ] - [ -0.0003078300000000, 0.0000333600000000, -0.0001384200000000 ] - [ 0.0001720000000000, -0.0000040600000000, 0.0002904000000000 ] - [ -0.0002541600000000, 0.0000543900000000, -0.0003891800000000 ] - [ -0.0007870300000000, -0.0000008700000000, -0.0004738300000000 ] - [ 0.0000851400000000, 0.0002725300000000, 0.0007829500000000 ] - [ 0.0004921900000000, -0.0015912600000000, 0.0008286400000000 ] - [ 0.0006358600000000, 0.0001489500000000, -0.0001687400000000 ] - [ 0.0082015400000000, -0.0100195300000000, 0.0010233600000000 ] - [ 0.0017029300000000, 0.0000296800000000, -0.0014203300000000 ] - [ -0.0009564100000000, 0.0001618600000000, 0.0010675400000000 ] - [ -0.0007986700000000, 0.0002402500000000, 0.0011226100000000 ] - [ 0.0018621300000000, -0.0010593100000000, -0.0010505600000000 ] - [ 0.0023768600000000, -0.0027459200000000, -0.0013700500000000 ] - [ 0.0004778500000000, -0.0004392800000000, -0.0007434100000000 ] - [ 0.0004908400000000, -0.0007571000000000, -0.0000409400000000 ] - [ 0.0039286100000000, -0.0039478600000000, 0.0091193500000000 ] - [ 0.0000737200000000, -0.0000077400000000, -0.0004404700000000 ] - [ -0.0004423000000000, 0.0002237900000000, 0.0005442300000000 ] - [ 0.0005418600000000, 0.0001358500000000, 0.0008513100000000 ] - [ -0.0003762100000000, 0.0004792300000000, -0.0009430000000000 ] - [ 0.0036636700000000, -0.0010257100000000, 0.0048114400000000 ] - [ -0.0002438400000000, 0.0003786300000000, 0.0007450500000000 ] - [ -0.0005413000000000, 0.0003399900000000, 0.0000541800000000 ] - [ 0.0010977600000000, 0.0001012000000000, 0.0000487800000000 ] - [ 0.0329480000000000, -0.0021024700000000, 0.0282536500000000 ] - [ -0.0000489600000000, -0.0001907200000000, -0.0003599100000000 ] - [ 0.0013756000000000, -0.0005048800000000, 0.0001387500000000 ] - [ 0.0104958600000000, 0.0064117900000000, 0.0037107200000000 ] - [ 0.0014095100000000, 0.0004159000000000, -0.0008378000000000 ] - [ -0.0005198000000000, 0.0003107500000000, 0.0001976900000000 ] - [ -0.0000306000000000, 0.0001685200000000, 0.0002708200000000 ] - [ 0.0020520100000000, -0.0002243600000000, -0.0015783300000000 ] - [ 0.0033639900000000, 0.0025161100000000, -0.0015536500000000 ] - [ -0.0000656500000000, -0.0001315400000000, 0.0000522200000000 ] - [ -0.0001202300000000, -0.0001806800000000, 0.0008910700000000 ] - [ -0.0051435700000000, 0.0036423100000000, -0.0003018300000000 ] - [ 0.0000625500000000, -0.0003933300000000, 0.0001296700000000 ] - [ -0.0000038000000000, -0.0002176600000000, -0.0011220400000000 ] - [ 0.0000182600000000, 0.0005221400000000, 0.0003978200000000 ] - [ -0.0062915700000000, -0.0000057900000000, -0.0036223500000000 ] - [ 0.0019609400000000, 0.0007081300000000, -0.0001324200000000 ] - [ 0.0014036600000000, -0.0007580700000000, -0.0005129400000000 ] - [ -0.0002519200000000, 0.0038285200000000, 0.0000458900000000 ] - [ -0.0008145000000000, 0.0000449700000000, -0.0001981500000000 ] - [ -0.0001429000000000, -0.0008561400000000, 0.0011199400000000 ] - [ -0.0002827200000000, 0.0001406300000000, -0.0014124300000000 ] - [ -0.0003699900000000, 0.0003942800000000, 0.0017591600000000 ] - [ 0.0010270200000000, 0.0003129600000000, -0.0001573400000000 ] - [ 0.0001386800000000, 0.0008561600000000, -0.0003606600000000 ] - [ -0.0001319300000000, -0.0002456200000000, 0.0037444200000000 ] - [ -0.0003055700000000, -0.0000388000000000, 0.0014533500000000 ] - [ -0.0014841900000000, 0.0001937700000000, -0.0015227500000000 ] - [ 0.0004631800000000, -0.0001457300000000, -0.0011674900000000 ] - [ -0.0000013400000000, -0.0002421300000000, -0.0006772600000000 ] - [ 0.0004911500000000, -0.0005773900000000, 0.0005145400000000 ] - [ 0.0006054500000000, 0.0002875600000000, 0.0007196200000000 ] - [ -0.0008350100000000, 0.0000007400000000, -0.0006712300000000 ] - [ 0.0002590200000000, 0.0001168800000000, 0.0007468400000000 ] - [ -0.0007061100000000, 0.0011541500000000, 0.0001086800000000 ] - [ -0.0107185100000000, -0.0004516000000000, -0.0015196300000000 ] - [ 0.0007027600000000, 0.0008532400000000, -0.0002425000000000 ] - [ -0.0009279700000000, -0.0006470100000000, -0.0006001500000000 ] - [ 0.0003423400000000, 0.0001011100000000, 0.0004139400000000 ] - [ 0.0028689900000000, -0.0026607400000000, 0.0005873000000000 ] - [ 0.0004482900000000, 0.0000958000000000, -0.0001697600000000 ] - [ -0.1158339600000000, 0.0373440500000000, -0.1474025400000000 ] - [ 0.0007536300000000, 0.0000859600000000, 0.0008952000000000 ] - [ -0.0023607200000000, 0.0029728300000000, -0.0028740900000000 ] - [ 0.0010577200000000, -0.0005898600000000, -0.0001123200000000 ] - [ 0.0017717000000000, 0.0003137400000000, 0.0014277900000000 ] - [ -0.0006290000000000, 0.0000281700000000, 0.0001672600000000 ] - [ -0.0017910800000000, 0.0010315600000000, -0.0008826200000000 ] - [ 0.0019438300000000, -0.0003577500000000, -0.0000340600000000 ] - [ -0.0010389500000000, -0.0005336900000000, -0.0006754400000000 ] - [ 0.0023348900000000, 0.0001238800000000, 0.0006203100000000 ] - [ 0.0009124000000000, -0.0006280000000000, 0.0002798900000000 ] - [ -0.0027980000000000, 0.0011689200000000, -0.0002187900000000 ] - [ -0.0003271600000000, -0.0001063900000000, -0.0014540600000000 ] - [ 0.0007352100000000, 0.0002006700000000, 0.0008663800000000 ] - [ -0.0002115800000000, -0.0001900000000000, 0.0010073400000000 ] - [ -0.0002720200000000, 0.0003070300000000, -0.0008328700000000 ] - [ 0.0001331200000000, -0.0000995400000000, 0.0000531300000000 ] - [ -0.0110086400000000, -0.0001091500000000, 0.0023364400000000 ] - [ -0.0001651100000000, -0.0003629500000000, -0.0004070700000000 ] - [ 0.0006258300000000, -0.0001989700000000, 0.0004216300000000 ] - [ -0.0004899000000000, -0.0004440100000000, -0.0003017500000000 ] - [ 0.0005648700000000, -0.0010973600000000, 0.0007121000000000 ] - [ 0.0025109900000000, 0.0015778700000000, 0.0001428700000000 ] - [ 0.0001395600000000, -0.0015174100000000, -0.0007827400000000 ] - [ 0.0002584800000000, 0.0006160200000000, 0.0002537400000000 ] - [ 0.0000097500000000, 0.0006034300000000, 0.0006309200000000 ] - [ -0.0018590400000000, -0.0020990900000000, -0.0021400800000000 ] - [ 0.0011179000000000, 0.0015619200000000, 0.0001985900000000 ] - [ -0.0001713800000000, -0.0001977100000000, -0.0003021700000000 ] - [ 0.0007306300000000, 0.0000149400000000, 0.0021608900000000 ] - [ 0.0008255500000000, -0.0002872800000000, 0.0003176100000000 ] - [ -0.0004087200000000, 0.0018585700000000, -0.0056492800000000 ] - [ 0.0003529900000000, 0.0002159100000000, 0.0007178000000000 ] - [ -0.0002870700000000, 0.0001810200000000, -0.0006283700000000 ] - [ 0.0004302300000000, 0.0004665400000000, 0.0005873400000000 ] - [ 0.0005681200000000, 0.0006494900000000, 0.0009287600000000 ] - [ -0.0074817900000000, -0.0066257000000000, 0.0057018600000000 ] - [ -0.0031860700000000, 0.0026247100000000, 0.0021425100000000 ] - [ 0.0010355000000000, -0.0001167300000000, 0.0001620900000000 ] - [ -0.0000651500000000, 0.0003406400000000, -0.0012138300000000 ] - [ 0.0000128600000000, 0.0001997800000000, -0.0004645300000000 ] - [ -0.0003694200000000, -0.0003975000000000, -0.0018966700000000 ] - [ 0.0032100800000000, -0.0024382600000000, 0.0008769100000000 ] - [ -0.0017203900000000, 0.0002803600000000, -0.0002382200000000 ] - [ -0.0027690800000000, 0.0033299300000000, -0.0045142800000000 ] - [ 0.0000563700000000, -0.0000635400000000, 0.0000438300000000 ] - [ -0.0015395300000000, 0.0006007900000000, 0.0013599400000000 ] - [ 0.0020738300000000, -0.0035491600000000, 0.0009767400000000 ] - [ 0.0014422500000000, -0.0004344400000000, 0.0012316300000000 ] - [ -0.0031693600000000, 0.0019701300000000, -0.0049423500000000 ] - [ -0.0014898200000000, -0.0001384800000000, -0.0009272200000000 ] - [ 0.0879687600000000, -0.0238473300000000, 0.0882296300000000 ] - [ 0.0004814700000000, -0.0003954700000000, 0.0011496200000000 ] - [ -0.0015595800000000, 0.0002110300000000, -0.0004301400000000 ] - [ 0.0040434000000000, -0.0017226500000000, 0.0068588700000000 ] - [ -0.0022942800000000, -0.0004681500000000, -0.0002146800000000 ] - [ -0.0004803400000000, -0.0000134600000000, -0.0028097600000000 ] - [ 0.0005301600000000, -0.0003084100000000, 0.0002144700000000 ] - [ -0.0038644900000000, 0.0073910900000000, 0.0065211200000000 ] - [ -0.0022929200000000, -0.0016437000000000, 0.0019664600000000 ] - [ 0.0007196900000000, 0.0006045300000000, 0.0018262100000000 ] - [ -0.0015025400000000, -0.0001326500000000, -0.0025755200000000 ] - [ 0.0173779000000000, -0.0002532300000000, 0.0083061400000000 ] - [ -0.0027053300000000, -0.0004657600000000, 0.0000247300000000 ] - [ 0.0011669400000000, 0.0002389200000000, -0.0013545000000000 ] - [ 0.0002515300000000, -0.0003566700000000, 0.0000239600000000 ] - [ -0.0036128100000000, 0.0007948700000000, 0.0023242700000000 ] - [ -0.0165490800000000, -0.0111324600000000, 0.0032310200000000 ] - [ 0.0001626100000000, 0.0003312400000000, 0.0007201900000000 ] - [ -0.0011523100000000, 0.0012975800000000, -0.0029717300000000 ] - [ 0.0063316900000000, 0.0008957900000000, 0.0047258200000000 ] - [ -0.0021766800000000, -0.0005104600000000, -0.0000196700000000 ] - [ -0.0008029800000000, -0.0010796400000000, -0.0025640800000000 ] - [ 0.0020719500000000, -0.0010963600000000, -0.0024215900000000 ] - [ -0.0033681400000000, 0.0000283700000000, -0.0018702300000000 ] - [ 0.0007231300000000, 0.0000659900000000, 0.0015485200000000 ]- atom: 69 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ 0.0002188900000000, -0.0000527800000000, 0.0001172600000000 ] - [ -0.0007495000000000, -0.0001258600000000, 0.0002557900000000 ] - [ -0.0016991100000000, 0.0002538700000000, -0.0009880600000000 ] - [ 0.0005281700000000, -0.0000106600000000, 0.0001556200000000 ] - [ 0.0000475900000000, -0.0000193500000000, -0.0002745300000000 ] - [ 0.0004722200000000, -0.0000777100000000, 0.0004042200000000 ] - [ 0.0005650600000000, -0.0000217800000000, 0.0004550200000000 ] - [ -0.0003058300000000, -0.0002960500000000, -0.0008030700000000 ] - [ 0.0007100400000000, 0.0016325300000000, -0.0011777800000000 ] - [ 0.0005676900000000, -0.0001013200000000, -0.0001778300000000 ] - [ -0.0069407800000000, 0.0108782400000000, -0.0023227000000000 ] - [ -0.0005042700000000, 0.0009362000000000, 0.0000828000000000 ] - [ -0.0002471900000000, 0.0008021400000000, 0.0002740100000000 ] - [ -0.0004016200000000, 0.0007207700000000, 0.0002243600000000 ] - [ -0.0030545500000000, 0.0000947200000000, 0.0023845600000000 ] - [ -0.0035917700000000, 0.0017941100000000, 0.0027234200000000 ] - [ 0.0007220500000000, -0.0005265600000000, -0.0005988200000000 ] - [ 0.0007177000000000, -0.0002023600000000, -0.0013032200000000 ] - [ -0.0040382400000000, 0.0039366800000000, -0.0101021300000000 ] - [ -0.0001967500000000, -0.0000027100000000, -0.0005535300000000 ] - [ 0.0005647300000000, -0.0002379200000000, 0.0004538100000000 ] - [ -0.0004125000000000, -0.0001400400000000, 0.0001615300000000 ] - [ 0.0004958400000000, -0.0004684800000000, 0.0019373300000000 ] - [ -0.0035573400000000, 0.0010386100000000, -0.0038342700000000 ] - [ -0.0007657100000000, 0.0002634600000000, -0.0003548200000000 ] - [ -0.0004674700000000, 0.0003015200000000, 0.0003367200000000 ] - [ -0.0021036300000000, -0.0007420500000000, 0.0003393700000000 ] - [ -0.0346074500000000, 0.0015983200000000, -0.0284389800000000 ] - [ 0.0010442800000000, -0.0004477400000000, -0.0000267800000000 ] - [ -0.0003662600000000, -0.0001370800000000, -0.0005287500000000 ] - [ -0.0103478800000000, -0.0061497400000000, -0.0035146700000000 ] - [ -0.0013830800000000, -0.0002281300000000, 0.0009586400000000 ] - [ 0.0004870000000000, -0.0001212200000000, -0.0003135200000000 ] - [ 0.0000015600000000, 0.0000227900000000, -0.0003831800000000 ] - [ -0.0020793900000000, 0.0000316600000000, 0.0014570000000000 ] - [ -0.0034136300000000, -0.0027204400000000, 0.0014446400000000 ] - [ 0.0000940500000000, -0.0000561800000000, 0.0000630500000000 ] - [ 0.0001616000000000, -0.0000124800000000, -0.0007763500000000 ] - [ 0.0039354400000000, -0.0036184300000000, 0.0006190900000000 ] - [ -0.0012659400000000, 0.0004400300000000, 0.0002232700000000 ] - [ -0.0001256000000000, 0.0002221600000000, 0.0001105800000000 ] - [ -0.0001404900000000, -0.0005175500000000, -0.0014049700000000 ] - [ 0.0073417400000000, 0.0006631600000000, 0.0032014100000000 ] - [ -0.0009519900000000, -0.0000667500000000, -0.0002553900000000 ] - [ -0.0001991100000000, 0.0007100900000000, 0.0001600000000000 ] - [ 0.0014705400000000, -0.0038953100000000, -0.0004005000000000 ] - [ -0.0003949100000000, -0.0000924500000000, 0.0005481500000000 ] - [ -0.0010592600000000, 0.0008185500000000, -0.0007732800000000 ] - [ -0.0001233300000000, 0.0002812400000000, -0.0000216100000000 ] - [ -0.0000281200000000, 0.0000269700000000, -0.0032048200000000 ] - [ -0.0006244300000000, 0.0001087400000000, 0.0015902000000000 ] - [ 0.0002661300000000, -0.0004373000000000, 0.0017978400000000 ] - [ 0.0005317600000000, -0.0001761600000000, -0.0023060600000000 ] - [ 0.0006951300000000, -0.0003773400000000, 0.0000101800000000 ] - [ 0.0010855800000000, -0.0006204000000000, 0.0000756000000000 ] - [ -0.0008645200000000, -0.0002757000000000, -0.0002654900000000 ] - [ 0.0002032500000000, -0.0004930200000000, 0.0000015600000000 ] - [ -0.0002876400000000, -0.0001578200000000, -0.0011889200000000 ] - [ -0.0008061900000000, -0.0010203100000000, -0.0000403100000000 ] - [ 0.0006406900000000, -0.0007334600000000, 0.0013548300000000 ] - [ -0.0004612800000000, 0.0006171400000000, -0.0000708100000000 ] - [ 0.0004962600000000, -0.0004086900000000, 0.0005722800000000 ] - [ 0.0109381200000000, 0.0010688100000000, 0.0009522200000000 ] - [ -0.0005008000000000, -0.0001186000000000, -0.0004353000000000 ] - [ 0.0000783600000000, -0.0001161600000000, -0.0002632700000000 ] - [ -0.0011792700000000, -0.0008599400000000, -0.0012695800000000 ] - [ -0.0020139900000000, 0.0018881100000000, 0.0002717400000000 ] - [ 0.0004026900000000, -0.0008623000000000, 0.0010369900000000 ] - [ 0.1157905600000000, -0.0375716900000000, 0.1497744900000000 ] - [ -0.0006029400000000, 0.0002023300000000, -0.0001244400000000 ] - [ 0.0014891100000000, -0.0021924500000000, 0.0019933400000000 ] - [ -0.0019084600000000, 0.0013554700000000, -0.0007492500000000 ] - [ -0.0024318800000000, -0.0000119500000000, -0.0008685900000000 ] - [ -0.0000391900000000, 0.0002731800000000, 0.0003936200000000 ] - [ 0.0024641500000000, -0.0007319900000000, 0.0003250400000000 ] - [ -0.0012750100000000, 0.0006596200000000, -0.0005216400000000 ] - [ 0.0016824300000000, 0.0002271100000000, 0.0001187700000000 ] - [ -0.0016774900000000, -0.0004257600000000, -0.0011815200000000 ] - [ -0.0015779100000000, 0.0003255300000000, 0.0002766300000000 ] - [ 0.0021478500000000, -0.0014800100000000, 0.0007743000000000 ] - [ 0.0009715000000000, 0.0002764300000000, 0.0016460500000000 ] - [ -0.0000959200000000, -0.0000289600000000, -0.0006774300000000 ] - [ -0.0004272300000000, 0.0003609300000000, -0.0011892600000000 ] - [ -0.0003671800000000, -0.0001370600000000, 0.0006507600000000 ] - [ -0.0007710600000000, -0.0000727000000000, -0.0002403100000000 ] - [ 0.0104081300000000, -0.0000423900000000, -0.0023226400000000 ] - [ 0.0007940100000000, 0.0001795200000000, 0.0005993700000000 ] - [ 0.0000130100000000, 0.0000287400000000, -0.0002380600000000 ] - [ 0.0002987500000000, -0.0009809700000000, 0.0002773100000000 ] - [ -0.0007481400000000, -0.0003315500000000, -0.0007314600000000 ] - [ -0.0023098900000000, -0.0029895500000000, -0.0001232300000000 ] - [ 0.0000530700000000, 0.0000973700000000, 0.0008121200000000 ] - [ -0.0000722700000000, 0.0008122400000000, -0.0002325900000000 ] - [ 0.0001899600000000, 0.0008135900000000, -0.0005915400000000 ] - [ 0.0016533500000000, 0.0035072100000000, 0.0021024100000000 ] - [ -0.0013109200000000, -0.0001392700000000, -0.0002218200000000 ] - [ 0.0003205600000000, -0.0000907700000000, 0.0010721000000000 ] - [ -0.0005785200000000, -0.0003026200000000, -0.0013888700000000 ] - [ -0.0009740000000000, -0.0000019900000000, -0.0010851700000000 ] - [ 0.0002542400000000, -0.0021608800000000, 0.0049116900000000 ] - [ -0.0005042100000000, 0.0000721800000000, -0.0014894900000000 ] - [ 0.0001370900000000, 0.0001091100000000, -0.0001318700000000 ] - [ 0.0004134000000000, 0.0002932900000000, 0.0002720400000000 ] - [ 0.0002944000000000, 0.0001233200000000, -0.0000543800000000 ] - [ 0.0067320600000000, 0.0070489700000000, -0.0059966100000000 ] - [ 0.0024686300000000, -0.0021645600000000, -0.0025005500000000 ] - [ -0.0003053500000000, 0.0005904200000000, 0.0001844200000000 ] - [ 0.0007747600000000, 0.0001215300000000, 0.0015478900000000 ] - [ -0.0007338200000000, -0.0006729700000000, 0.0001240000000000 ] - [ -0.0003780000000000, -0.0000666900000000, 0.0015392500000000 ] - [ -0.0029971600000000, 0.0026041300000000, -0.0015373400000000 ] - [ 0.0019380700000000, -0.0001397400000000, -0.0004360500000000 ] - [ 0.0025544300000000, -0.0031922000000000, 0.0051848400000000 ] - [ -0.0002764500000000, 0.0002060600000000, 0.0006039600000000 ] - [ 0.0013190600000000, -0.0007404900000000, -0.0006857800000000 ] - [ -0.0023188700000000, 0.0034231500000000, -0.0003082300000000 ] - [ -0.0011967900000000, 0.0002896000000000, -0.0018926200000000 ] - [ 0.0034035000000000, -0.0021282600000000, 0.0042955400000000 ] - [ 0.0021921100000000, 0.0003262500000000, -0.0004078400000000 ] - [ -0.0866459000000000, 0.0245184200000000, -0.0912918200000000 ] - [ -0.0011716200000000, 0.0005799100000000, 0.0001735600000000 ] - [ 0.0008565300000000, -0.0000236400000000, 0.0017695100000000 ] - [ -0.0048024300000000, 0.0015433100000000, -0.0055554400000000 ] - [ 0.0015880900000000, 0.0002801000000000, 0.0015467000000000 ] - [ 0.0011830700000000, -0.0001744100000000, 0.0014688200000000 ] - [ 0.0001747800000000, 0.0001222000000000, -0.0015536900000000 ] - [ 0.0045860600000000, -0.0078268300000000, -0.0061381300000000 ] - [ 0.0030280200000000, 0.0011806800000000, -0.0016355300000000 ] - [ -0.0004779200000000, 0.0003119400000000, -0.0008172600000000 ] - [ 0.0017271300000000, 0.0010502400000000, 0.0035830800000000 ] - [ -0.0179665100000000, -0.0005386200000000, -0.0085661800000000 ] - [ 0.0022149400000000, -0.0002980700000000, -0.0005822700000000 ] - [ -0.0006666700000000, -0.0010010900000000, 0.0019057900000000 ] - [ 0.0002391500000000, -0.0004099100000000, 0.0005094400000000 ] - [ 0.0040957700000000, -0.0000262900000000, -0.0017644100000000 ] - [ 0.0171134800000000, 0.0119662600000000, -0.0026989600000000 ] - [ -0.0006434400000000, 0.0004323400000000, -0.0012639700000000 ] - [ 0.0006467400000000, -0.0005377300000000, 0.0024302300000000 ] - [ -0.0060460400000000, -0.0017440600000000, -0.0036648700000000 ] - [ 0.0024177800000000, -0.0004049800000000, 0.0010323000000000 ] - [ 0.0005728200000000, 0.0001657600000000, 0.0015575400000000 ] - [ -0.0022795000000000, 0.0001682700000000, 0.0013353800000000 ] - [ 0.0031227300000000, 0.0008836700000000, 0.0008551300000000 ] - [ -0.0009699800000000, 0.0008484800000000, -0.0025681100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000468200000000, 0.0000185900000000, 0.0000166500000000 ] - [ -0.0017777100000000, 0.0006947600000000, 0.0027881000000000 ] - [ 0.0004972500000000, -0.0033920500000000, -0.0029823800000000 ] - [ 0.0001614700000000, -0.0000036700000000, 0.0000352000000000 ] - [ -0.0000201400000000, -0.0001340600000000, 0.0001485000000000 ] - [ 0.0002570800000000, -0.0000985900000000, 0.0001047300000000 ] - [ -0.0001631300000000, 0.0000404900000000, -0.0000520000000000 ] - [ 0.0000783200000000, 0.0003428300000000, -0.0002660500000000 ] - [ 0.0006684300000000, 0.0009576100000000, -0.0006606600000000 ] - [ 0.0007273200000000, 0.0003300300000000, -0.0001849700000000 ] - [ -0.0084838800000000, 0.0076492800000000, -0.0031494900000000 ] - [ 0.0004851900000000, 0.0005546000000000, -0.0005373400000000 ] - [ -0.0005741500000000, 0.0004740400000000, 0.0007179700000000 ] - [ -0.0004910000000000, 0.0005497100000000, 0.0004261700000000 ] - [ 0.0001439700000000, -0.0015805400000000, 0.0005139200000000 ] - [ -0.0010049100000000, -0.0003018100000000, 0.0010564500000000 ] - [ 0.0008113500000000, -0.0002536000000000, -0.0008656100000000 ] - [ 0.0007287000000000, -0.0001520500000000, -0.0008825800000000 ] - [ -0.0019639500000000, 0.0015866400000000, -0.0047546500000000 ] - [ 0.0000187000000000, -0.0000367700000000, -0.0003229300000000 ] - [ 0.0005224900000000, 0.0007263300000000, 0.0020263900000000 ] - [ -0.0000172500000000, -0.0000404900000000, 0.0003547300000000 ] - [ 0.0002079900000000, -0.0002527200000000, 0.0007243100000000 ] - [ -0.0006387700000000, 0.0000682600000000, -0.0000729900000000 ] - [ -0.0005298900000000, 0.0003969100000000, 0.0001617700000000 ] - [ -0.0003620500000000, 0.0002665500000000, 0.0001193200000000 ] - [ -0.0006672800000000, -0.0004321900000000, 0.0002109500000000 ] - [ -0.0089633400000000, -0.0111925900000000, -0.0050468600000000 ] - [ 0.0013047500000000, -0.0000075900000000, -0.0005544200000000 ] - [ 0.0001900000000000, -0.0002019300000000, -0.0002457900000000 ] - [ 0.0017820200000000, -0.0025037300000000, 0.0031127600000000 ] - [ -0.0001891000000000, -0.0000126900000000, 0.0002284800000000 ] - [ -0.0000245100000000, 0.0002907800000000, -0.0001928000000000 ] - [ -0.0000901800000000, 0.0002933400000000, -0.0000596300000000 ] - [ -0.0015655900000000, -0.0002248700000000, 0.0011524000000000 ] - [ -0.0005475400000000, -0.0006451400000000, 0.0003569600000000 ] - [ 0.0001637900000000, -0.0002246800000000, -0.0000410900000000 ] - [ -0.0002246700000000, -0.0000699200000000, -0.0004511300000000 ] - [ 0.0001411300000000, -0.0014200000000000, 0.0049395800000000 ] - [ -0.0006617800000000, 0.0000122800000000, 0.0001653400000000 ] - [ 0.0000517600000000, 0.0001324000000000, -0.0003355500000000 ] - [ -0.0004018500000000, 0.0003321900000000, -0.0006380100000000 ] - [ 0.0069623100000000, 0.0021568100000000, -0.0068175000000000 ] - [ 0.0003115200000000, 0.0002566300000000, -0.0001982700000000 ] - [ 0.0004287100000000, 0.0000691000000000, -0.0000882800000000 ] - [ 0.0010598600000000, 0.0002010700000000, 0.0001051300000000 ] - [ -0.0003561700000000, -0.0002119700000000, 0.0000058500000000 ] - [ -0.0008053400000000, -0.0000243400000000, 0.0000159800000000 ] - [ 0.0000295900000000, 0.0000554500000000, -0.0011204400000000 ] - [ -0.0002129200000000, 0.0001035600000000, -0.0011680100000000 ] - [ 0.0000296400000000, 0.0002839600000000, 0.0009355500000000 ] - [ -0.0001083800000000, 0.0005875500000000, 0.0012074100000000 ] - [ 0.0002847900000000, -0.0001951500000000, -0.0004492400000000 ] - [ -0.0002119500000000, -0.0000408700000000, 0.0016906200000000 ] - [ -0.0009337700000000, 0.0019646800000000, 0.0025389300000000 ] - [ -0.0002762000000000, -0.0002247800000000, -0.0006848100000000 ] - [ 0.0002097200000000, -0.0006862600000000, -0.0003444800000000 ] - [ 0.0000641700000000, -0.0003947100000000, -0.0003897300000000 ] - [ -0.0002864300000000, -0.0004272000000000, 0.0003117500000000 ] - [ 0.0012867000000000, 0.0009846800000000, 0.0005282800000000 ] - [ -0.0002014500000000, 0.0005097600000000, 0.0002417700000000 ] - [ -0.0005027600000000, 0.0019632600000000, 0.0004510000000000 ] - [ 0.0012096900000000, 0.0218692300000000, -0.0294948700000000 ] - [ 0.0000267500000000, 0.0002733000000000, -0.0003553800000000 ] - [ -0.0005114800000000, -0.0005637700000000, -0.0005591100000000 ] - [ -0.0007880000000000, -0.0006938500000000, -0.0008016100000000 ] - [ -0.0013848800000000, 0.0018762600000000, 0.0004316200000000 ] - [ 0.0004282000000000, -0.0003470300000000, 0.0005840300000000 ] - [ 0.0373681400000000, -0.0803989600000000, 0.0969844600000000 ] - [ 0.0000177900000000, 0.0001275400000000, 0.0003527800000000 ] - [ 0.0023651800000000, -0.0001030400000000, 0.0012159100000000 ] - [ -0.0006373400000000, 0.0004899500000000, -0.0004647000000000 ] - [ -0.0012367600000000, 0.0000332000000000, -0.0001399100000000 ] - [ -0.0002083200000000, 0.0002233500000000, 0.0002916800000000 ] - [ -0.0006203300000000, 0.0004988000000000, 0.0003057800000000 ] - [ 0.0001270800000000, 0.0003228800000000, -0.0003033000000000 ] - [ 0.0003688700000000, -0.0010578600000000, -0.0006077000000000 ] - [ -0.0001166700000000, -0.0002808500000000, -0.0004747000000000 ] - [ -0.0004617700000000, -0.0000644800000000, 0.0003008500000000 ] - [ -0.0014143400000000, 0.0023854900000000, 0.0004568300000000 ] - [ 0.0016810300000000, -0.0009080500000000, -0.0007580100000000 ] - [ 0.0002517800000000, -0.0000237500000000, -0.0000148400000000 ] - [ -0.0003196300000000, 0.0002932400000000, -0.0003146400000000 ] - [ -0.0003243200000000, 0.0002126500000000, -0.0000325000000000 ] - [ -0.0003409300000000, -0.0001248400000000, -0.0002076800000000 ] - [ -0.0000708200000000, -0.0060366300000000, 0.0207629300000000 ] - [ 0.0020088000000000, 0.0028492400000000, -0.0021407200000000 ] - [ 0.0002494600000000, -0.0000557400000000, 0.0000511100000000 ] - [ -0.0000689300000000, -0.0006411700000000, -0.0002211100000000 ] - [ -0.0001960200000000, -0.0006170600000000, -0.0001157500000000 ] - [ 0.0007895000000000, -0.0002397500000000, 0.0005190200000000 ] - [ -0.0000110800000000, -0.0005633800000000, 0.0001563500000000 ] - [ 0.0001038600000000, 0.0006061300000000, -0.0000386500000000 ] - [ 0.0001990400000000, -0.0005840400000000, -0.0004868200000000 ] - [ 0.0011964400000000, 0.0058417300000000, 0.0017904900000000 ] - [ -0.0002504300000000, 0.0006219800000000, -0.0000073800000000 ] - [ 0.0001287500000000, -0.0001902400000000, 0.0002707000000000 ] - [ -0.0000830900000000, -0.0001347500000000, 0.0000009700000000 ] - [ -0.0002169700000000, -0.0002688400000000, -0.0004076900000000 ] - [ 0.0019269700000000, -0.0009146500000000, 0.0016117500000000 ] - [ -0.0001466400000000, 0.0002003100000000, -0.0005141300000000 ] - [ -0.0001112200000000, 0.0005281900000000, -0.0011401700000000 ] - [ 0.0004245900000000, 0.0004039400000000, 0.0003192500000000 ] - [ 0.0008201100000000, 0.0006842100000000, 0.0007223600000000 ] - [ -0.0035500200000000, 0.0020394300000000, -0.0018443600000000 ] - [ 0.0001024700000000, 0.0000765100000000, -0.0005536400000000 ] - [ 0.0002496400000000, -0.0000236400000000, 0.0005880500000000 ] - [ 0.0001524200000000, -0.0003541800000000, 0.0002282900000000 ] - [ -0.0003704900000000, 0.0000588300000000, -0.0000545600000000 ] - [ -0.0003447100000000, 0.0001266000000000, 0.0008993800000000 ] - [ 0.0014602500000000, -0.0011196700000000, -0.0053020500000000 ] - [ 0.0003383800000000, 0.0001288200000000, -0.0002947400000000 ] - [ 0.0012494500000000, -0.0010129100000000, 0.0023220100000000 ] - [ -0.0003452500000000, -0.0002044200000000, 0.0000228100000000 ] - [ 0.0000305800000000, -0.0003628400000000, 0.0000321700000000 ] - [ 0.0008893200000000, -0.0018223000000000, -0.0003172700000000 ] - [ -0.0004125600000000, 0.0004723100000000, -0.0000543700000000 ] - [ 0.0008316400000000, -0.0002209600000000, 0.0005039600000000 ] - [ 0.0004915800000000, 0.0001965900000000, -0.0006198500000000 ] - [ -0.0252069900000000, 0.0680128800000000, -0.0650273400000000 ] - [ -0.0010401500000000, -0.0027014800000000, 0.0024576900000000 ] - [ -0.0000087500000000, -0.0000245600000000, 0.0008520100000000 ] - [ -0.0081107700000000, 0.0003548700000000, 0.0006035800000000 ] - [ -0.0000036300000000, 0.0000957200000000, 0.0007780400000000 ] - [ 0.0004425600000000, -0.0002225700000000, -0.0002816700000000 ] - [ 0.0001858200000000, 0.0001042900000000, -0.0005557200000000 ] - [ 0.0047597600000000, -0.0071383000000000, -0.0054860700000000 ] - [ 0.0005926400000000, -0.0001296300000000, -0.0002183700000000 ] - [ -0.0003066400000000, 0.0008972300000000, 0.0014289500000000 ] - [ 0.0007637200000000, 0.0010127200000000, 0.0011091800000000 ] - [ -0.0010401300000000, 0.0126212900000000, -0.0024975200000000 ] - [ -0.0000268300000000, -0.0002694100000000, -0.0004103000000000 ] - [ -0.0001989800000000, -0.0013935800000000, -0.0000569600000000 ] - [ 0.0002367600000000, -0.0006479600000000, 0.0009204200000000 ] - [ 0.0010027400000000, 0.0017565900000000, -0.0000666100000000 ] - [ 0.0025925700000000, 0.0039840000000000, -0.0025094300000000 ] - [ -0.0010029100000000, 0.0003669700000000, -0.0000824300000000 ] - [ 0.0004914100000000, -0.0001368100000000, 0.0004216700000000 ] - [ -0.0058953300000000, -0.0169692100000000, -0.0038573800000000 ] - [ 0.0004088200000000, -0.0004674000000000, 0.0005728500000000 ] - [ -0.0000891900000000, -0.0002445700000000, 0.0002485700000000 ] - [ 0.0012194800000000, 0.0000525000000000, -0.0038256900000000 ] - [ 0.0007890000000000, -0.0007788100000000, -0.0002661500000000 ] - [ 0.0001963400000000, -0.0011090200000000, -0.0011699200000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001727900000000, 0.0000052800000000, -0.0000332900000000 ] - [ 0.0015570300000000, -0.0006648800000000, -0.0027980900000000 ] - [ -0.0002834500000000, 0.0034294400000000, 0.0030454700000000 ] - [ 0.0000570900000000, 0.0000265100000000, -0.0000178900000000 ] - [ 0.0002394400000000, 0.0001109500000000, -0.0001320700000000 ] - [ -0.0000379500000000, 0.0000748700000000, -0.0000890600000000 ] - [ -0.0000559000000000, -0.0000625900000000, 0.0000339800000000 ] - [ -0.0002979600000000, -0.0003652300000000, 0.0002495300000000 ] - [ 0.0005363000000000, -0.0009068200000000, 0.0003090700000000 ] - [ 0.0004761800000000, -0.0002820600000000, -0.0001650700000000 ] - [ 0.0097545500000000, -0.0067044400000000, 0.0018685800000000 ] - [ 0.0007178600000000, 0.0004107400000000, -0.0008057200000000 ] - [ -0.0006271900000000, 0.0004908300000000, 0.0006238700000000 ] - [ -0.0007132900000000, 0.0004134700000000, 0.0009173200000000 ] - [ -0.0013460300000000, 0.0006130500000000, 0.0008313000000000 ] - [ -0.0001914000000000, -0.0006670100000000, 0.0002797000000000 ] - [ 0.0003926700000000, -0.0007097100000000, -0.0004778700000000 ] - [ 0.0004739900000000, -0.0008105700000000, -0.0004605900000000 ] - [ 0.0018223600000000, -0.0015956300000000, 0.0037298900000000 ] - [ -0.0001446300000000, 0.0000293300000000, -0.0006809400000000 ] - [ -0.0003958800000000, -0.0007407200000000, -0.0010113200000000 ] - [ 0.0001435200000000, 0.0000337500000000, 0.0006515800000000 ] - [ -0.0000828000000000, 0.0002610400000000, 0.0002789800000000 ] - [ 0.0007736300000000, -0.0000603500000000, 0.0010850100000000 ] - [ -0.0004773100000000, 0.0002440500000000, 0.0002277800000000 ] - [ -0.0006454400000000, 0.0003753000000000, 0.0002693900000000 ] - [ -0.0003362500000000, -0.0002084700000000, 0.0001776100000000 ] - [ 0.0079918600000000, 0.0104834200000000, 0.0054822400000000 ] - [ -0.0002938700000000, -0.0006321800000000, 0.0001623800000000 ] - [ 0.0008167600000000, -0.0004393600000000, -0.0001433500000000 ] - [ -0.0017659100000000, 0.0026698300000000, -0.0029890700000000 ] - [ 0.0002214300000000, 0.0002013500000000, -0.0001146400000000 ] - [ -0.0000049400000000, -0.0001016000000000, 0.0000775000000000 ] - [ 0.0000573500000000, -0.0001011200000000, -0.0000540300000000 ] - [ 0.0015429100000000, 0.0000419600000000, -0.0012698200000000 ] - [ 0.0005214500000000, 0.0004622300000000, -0.0004764700000000 ] - [ -0.0001306700000000, 0.0000346100000000, 0.0001550700000000 ] - [ 0.0002543500000000, -0.0001207200000000, 0.0005663900000000 ] - [ -0.0013333000000000, 0.0014174800000000, -0.0045857200000000 ] - [ -0.0005414300000000, 0.0000331600000000, 0.0001858200000000 ] - [ -0.0001770000000000, -0.0001251400000000, -0.0006711300000000 ] - [ 0.0002684800000000, -0.0003280500000000, -0.0003750700000000 ] - [ -0.0059846400000000, -0.0015201500000000, 0.0064861000000000 ] - [ 0.0006965800000000, 0.0003859600000000, -0.0001900200000000 ] - [ 0.0007766700000000, -0.0001152800000000, -0.0002631000000000 ] - [ 0.0001310500000000, -0.0002338700000000, -0.0004605300000000 ] - [ -0.0008478100000000, 0.0001651100000000, 0.0003437500000000 ] - [ -0.0003982900000000, -0.0000250200000000, 0.0003361200000000 ] - [ -0.0004307900000000, 0.0003661000000000, -0.0003173500000000 ] - [ -0.0001879000000000, 0.0003177800000000, -0.0002653600000000 ] - [ 0.0003724400000000, 0.0001378000000000, 0.0005007500000000 ] - [ 0.0005017500000000, -0.0001663600000000, 0.0002319900000000 ] - [ 0.0001171300000000, -0.0002246400000000, 0.0018820800000000 ] - [ 0.0006068300000000, -0.0003775700000000, -0.0002432400000000 ] - [ 0.0005215000000000, -0.0023619800000000, -0.0039352600000000 ] - [ -0.0001236900000000, -0.0001966300000000, -0.0007520000000000 ] - [ -0.0000075200000000, -0.0000481000000000, -0.0003327100000000 ] - [ 0.0001378500000000, -0.0003409200000000, -0.0002865900000000 ] - [ 0.0000848300000000, -0.0003052900000000, 0.0003676800000000 ] - [ -0.0014925400000000, -0.0017192000000000, 0.0001483200000000 ] - [ -0.0000003000000000, 0.0002253100000000, 0.0004353200000000 ] - [ 0.0002960500000000, -0.0012143900000000, 0.0002220500000000 ] - [ -0.0009615200000000, -0.0208100600000000, 0.0282752700000000 ] - [ 0.0001768900000000, 0.0004618200000000, -0.0003226900000000 ] - [ -0.0003340500000000, -0.0001974600000000, -0.0003024100000000 ] - [ -0.0000603200000000, -0.0000688200000000, -0.0000598000000000 ] - [ 0.0022422900000000, -0.0026446600000000, 0.0004359000000000 ] - [ 0.0004161100000000, -0.0004123200000000, 0.0002756400000000 ] - [ -0.0373123100000000, 0.0811997300000000, -0.0958801300000000 ] - [ 0.0001337500000000, 0.0001610000000000, 0.0004168300000000 ] - [ -0.0031936100000000, 0.0008529100000000, -0.0020652600000000 ] - [ -0.0002082500000000, 0.0002705700000000, -0.0003972500000000 ] - [ 0.0005697300000000, 0.0002707000000000, 0.0006969600000000 ] - [ -0.0004579400000000, 0.0000787000000000, 0.0002664600000000 ] - [ 0.0012841900000000, -0.0002021200000000, -0.0008577300000000 ] - [ 0.0005391600000000, -0.0000212100000000, -0.0002531000000000 ] - [ 0.0002887400000000, 0.0007493200000000, 0.0000489100000000 ] - [ 0.0007850500000000, -0.0000218100000000, -0.0000818700000000 ] - [ -0.0001994000000000, -0.0002383800000000, 0.0002563100000000 ] - [ 0.0007339900000000, -0.0026848700000000, 0.0000957000000000 ] - [ -0.0010472800000000, 0.0010844700000000, 0.0009457000000000 ] - [ 0.0003858700000000, 0.0001964800000000, 0.0002037000000000 ] - [ -0.0003197300000000, -0.0001228500000000, 0.0001325500000000 ] - [ -0.0003153100000000, -0.0000420300000000, -0.0001517200000000 ] - [ -0.0002958100000000, -0.0000472700000000, 0.0000201500000000 ] - [ -0.0005479300000000, 0.0059311600000000, -0.0209298500000000 ] - [ -0.0013604000000000, -0.0030070500000000, 0.0023094900000000 ] - [ 0.0003898500000000, -0.0001147700000000, 0.0001333500000000 ] - [ -0.0001195400000000, -0.0007844400000000, 0.0001978400000000 ] - [ 0.0000065400000000, -0.0008080700000000, 0.0000927500000000 ] - [ -0.0006005500000000, -0.0011902200000000, -0.0004905700000000 ] - [ 0.0001983600000000, -0.0008658100000000, -0.0001342100000000 ] - [ 0.0000869600000000, 0.0008191700000000, 0.0000624500000000 ] - [ -0.0000114400000000, 0.0020040000000000, 0.0005099600000000 ] - [ -0.0013697100000000, -0.0044153200000000, -0.0018088000000000 ] - [ 0.0000623400000000, 0.0008053300000000, -0.0000173000000000 ] - [ 0.0000213400000000, -0.0000984600000000, 0.0004972600000000 ] - [ 0.0002332600000000, -0.0001539100000000, 0.0007690400000000 ] - [ 0.0000683600000000, -0.0000193900000000, -0.0003582600000000 ] - [ -0.0020871200000000, 0.0006320700000000, -0.0023904900000000 ] - [ -0.0000029800000000, 0.0000888300000000, -0.0002543100000000 ] - [ -0.0000406600000000, -0.0002376800000000, 0.0003648000000000 ] - [ 0.0004250000000000, 0.0003592700000000, 0.0005429400000000 ] - [ 0.0000303300000000, 0.0000825800000000, 0.0001449100000000 ] - [ 0.0028260300000000, -0.0015408800000000, 0.0014725400000000 ] - [ -0.0008313500000000, 0.0004026600000000, 0.0002165500000000 ] - [ 0.0004732400000000, 0.0004947300000000, -0.0002442900000000 ] - [ 0.0005712200000000, 0.0008197500000000, 0.0001116800000000 ] - [ -0.0003587700000000, -0.0005299600000000, -0.0002879100000000 ] - [ -0.0003792500000000, -0.0005946600000000, -0.0012440700000000 ] - [ -0.0012353600000000, 0.0013129700000000, 0.0045857300000000 ] - [ -0.0001178400000000, 0.0000148500000000, -0.0003731300000000 ] - [ -0.0014609800000000, 0.0011348700000000, -0.0016396100000000 ] - [ 0.0001248400000000, 0.0003459700000000, 0.0006391900000000 ] - [ -0.0002568300000000, 0.0002210100000000, 0.0006363100000000 ] - [ -0.0010832900000000, 0.0016785100000000, 0.0009928200000000 ] - [ 0.0006393600000000, -0.0006131800000000, -0.0006097400000000 ] - [ -0.0006161500000000, 0.0000849800000000, -0.0011789100000000 ] - [ 0.0002069300000000, -0.0000083200000000, -0.0007148100000000 ] - [ 0.0259625900000000, -0.0687471000000000, 0.0638705300000000 ] - [ 0.0003355400000000, 0.0028735900000000, -0.0011082900000000 ] - [ -0.0006945500000000, 0.0002109700000000, 0.0004842900000000 ] - [ 0.0074295500000000, -0.0005483600000000, 0.0007360000000000 ] - [ -0.0007008400000000, -0.0002849500000000, 0.0005534700000000 ] - [ 0.0002606200000000, 0.0000382200000000, -0.0010566900000000 ] - [ 0.0005174700000000, -0.0002902000000000, -0.0007796000000000 ] - [ -0.0040599500000000, 0.0066654200000000, 0.0058243400000000 ] - [ 0.0001322800000000, -0.0003461700000000, 0.0005666700000000 ] - [ 0.0005442700000000, 0.0000184000000000, -0.0004195300000000 ] - [ -0.0005234600000000, -0.0000956500000000, -0.0001028200000000 ] - [ 0.0004941000000000, -0.0132407900000000, 0.0017853900000000 ] - [ -0.0004674000000000, -0.0004944500000000, -0.0001373200000000 ] - [ 0.0006875300000000, 0.0006292500000000, 0.0006012400000000 ] - [ 0.0002585500000000, -0.0001172400000000, -0.0003715700000000 ] - [ -0.0005181900000000, -0.0009964200000000, 0.0006151700000000 ] - [ -0.0021396200000000, -0.0032721700000000, 0.0030826400000000 ] - [ 0.0005063300000000, 0.0003988000000000, -0.0004609600000000 ] - [ -0.0009801100000000, 0.0009048700000000, -0.0009646900000000 ] - [ 0.0061072000000000, 0.0160122900000000, 0.0048542600000000 ] - [ -0.0001746000000000, -0.0004470700000000, 0.0004392600000000 ] - [ -0.0001537500000000, -0.0006711400000000, -0.0012569100000000 ] - [ -0.0014310100000000, -0.0009722000000000, 0.0027751400000000 ] - [ -0.0010342000000000, 0.0016975200000000, -0.0007514600000000 ] - [ -0.0004254000000000, 0.0020274800000000, 0.0001547300000000 ]- atom: 69 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0002438800000000, -0.0000192500000000, -0.0002417900000000 ] - [ 0.0017203700000000, 0.0007652200000000, -0.0026410300000000 ] - [ 0.0004472100000000, -0.0044378900000000, 0.0014342400000000 ] - [ 0.0001596700000000, 0.0000484500000000, -0.0001545500000000 ] - [ 0.0008457500000000, 0.0000336400000000, -0.0005730200000000 ] - [ -0.0006331600000000, 0.0001477600000000, -0.0002070200000000 ] - [ -0.0005148900000000, -0.0000479500000000, -0.0000676300000000 ] - [ 0.0012072500000000, -0.0005007200000000, -0.0002288000000000 ] - [ 0.0010954800000000, -0.0023299500000000, 0.0010647900000000 ] - [ 0.0001162100000000, 0.0002497500000000, 0.0007017000000000 ] - [ 0.0080307300000000, -0.0072982500000000, -0.0074107900000000 ] - [ 0.0003134800000000, 0.0008187900000000, -0.0004979900000000 ] - [ -0.0013018800000000, 0.0000133800000000, 0.0017714100000000 ] - [ -0.0005458700000000, -0.0003924300000000, 0.0018662700000000 ] - [ -0.0001853600000000, -0.0006128400000000, -0.0013695500000000 ] - [ -0.0001707400000000, -0.0008857800000000, -0.0002009800000000 ] - [ -0.0006035100000000, -0.0014200100000000, 0.0003128000000000 ] - [ 0.0019165600000000, 0.0004810700000000, -0.0006176400000000 ] - [ 0.0075728200000000, -0.0066244200000000, 0.0150115800000000 ] - [ 0.0000295000000000, -0.0004326700000000, 0.0012172700000000 ] - [ 0.0007030500000000, 0.0026278500000000, 0.0011456500000000 ] - [ 0.0004992200000000, 0.0004086400000000, 0.0016639000000000 ] - [ -0.0014558500000000, 0.0004346900000000, -0.0004459700000000 ] - [ 0.0008024000000000, -0.0000416800000000, 0.0006497200000000 ] - [ 0.0010796200000000, 0.0001019000000000, 0.0005366200000000 ] - [ -0.0020299700000000, 0.0007165000000000, 0.0007214100000000 ] - [ -0.0009205900000000, -0.0003737700000000, 0.0002425500000000 ] - [ 0.0065208800000000, 0.0011629700000000, -0.0085404300000000 ] - [ -0.0023235700000000, 0.0005488100000000, 0.0004265900000000 ] - [ 0.0019854800000000, -0.0007485100000000, -0.0000078800000000 ] - [ 0.0084959100000000, 0.0058974400000000, -0.0051398700000000 ] - [ -0.0003653400000000, -0.0001844000000000, 0.0001010200000000 ] - [ -0.0009052100000000, 0.0003263900000000, 0.0009783500000000 ] - [ 0.0001409400000000, 0.0007960300000000, 0.0008663200000000 ] - [ 0.0006057300000000, 0.0001425600000000, -0.0021927600000000 ] - [ 0.0004364100000000, 0.0004341600000000, -0.0007916100000000 ] - [ -0.0013111400000000, 0.0006298700000000, 0.0009322000000000 ] - [ 0.0017914300000000, -0.0010089100000000, 0.0004813500000000 ] - [ -0.0034291200000000, 0.0147740900000000, 0.0080261600000000 ] - [ -0.0004797000000000, 0.0000837500000000, 0.0004354300000000 ] - [ -0.0005117100000000, -0.0001718300000000, -0.0008694600000000 ] - [ 0.0007473600000000, -0.0000373300000000, -0.0006270900000000 ] - [ -0.0124476500000000, -0.0077894000000000, 0.0099882200000000 ] - [ 0.0008802100000000, 0.0003874900000000, -0.0001186900000000 ] - [ 0.0004431700000000, 0.0001044100000000, -0.0002984800000000 ] - [ 0.0019747300000000, 0.0000307500000000, -0.0013747800000000 ] - [ -0.0022296300000000, -0.0010265700000000, 0.0005449800000000 ] - [ 0.0001685100000000, 0.0005198600000000, 0.0003104100000000 ] - [ -0.0024049500000000, 0.0006308900000000, 0.0019126000000000 ] - [ 0.0003668000000000, 0.0003627400000000, -0.0002997000000000 ] - [ 0.0004322400000000, 0.0003025600000000, 0.0002068400000000 ] - [ 0.0011805800000000, 0.0005784400000000, -0.0020509000000000 ] - [ 0.0000109400000000, -0.0004682900000000, 0.0052146400000000 ] - [ -0.0026999200000000, 0.0009997200000000, 0.0069258500000000 ] - [ 0.0022006400000000, 0.0025079800000000, -0.0083374600000000 ] - [ -0.0002459700000000, -0.0002529100000000, -0.0002154100000000 ] - [ -0.0007878600000000, 0.0002964800000000, 0.0002683800000000 ] - [ 0.0009075600000000, -0.0006784600000000, 0.0000962600000000 ] - [ 0.0003259400000000, -0.0000603300000000, 0.0003598900000000 ] - [ -0.0033308900000000, -0.0030835000000000, 0.0001177800000000 ] - [ 0.0001884500000000, -0.0000525200000000, 0.0008430100000000 ] - [ -0.0019622100000000, 0.0034713500000000, 0.0013519500000000 ] - [ 0.0045859300000000, -0.0297005100000000, 0.0149744300000000 ] - [ 0.0000300400000000, 0.0004277500000000, -0.0001421100000000 ] - [ -0.0012993400000000, -0.0004339400000000, 0.0001202800000000 ] - [ 0.0019609200000000, 0.0004807000000000, 0.0012140900000000 ] - [ 0.0014534500000000, -0.0016976400000000, -0.0004470500000000 ] - [ -0.0005459800000000, 0.0001102300000000, -0.0002620600000000 ] - [ -0.0533216500000000, 0.0569885600000000, -0.2764166000000000 ] - [ 0.0001037700000000, 0.0001509100000000, 0.0008395200000000 ] - [ -0.0034599200000000, 0.0023966700000000, -0.0044211200000000 ] - [ -0.0005402500000000, 0.0003039400000000, -0.0005594400000000 ] - [ 0.0038367300000000, 0.0004969300000000, 0.0015995400000000 ] - [ -0.0027160000000000, -0.0003717200000000, 0.0010942500000000 ] - [ -0.0022452600000000, 0.0027971100000000, -0.0013241500000000 ] - [ 0.0010413300000000, -0.0000279400000000, -0.0000799600000000 ] - [ -0.0044134800000000, -0.0013989100000000, 0.0008246500000000 ] - [ 0.0014698700000000, 0.0003633000000000, 0.0001588700000000 ] - [ -0.0005433600000000, -0.0001523300000000, 0.0002607700000000 ] - [ 0.0014847500000000, -0.0009130600000000, -0.0010505200000000 ] - [ -0.0029764400000000, 0.0013404500000000, 0.0027374200000000 ] - [ 0.0007806900000000, 0.0000810100000000, 0.0002468700000000 ] - [ 0.0002491800000000, 0.0000690300000000, -0.0000230400000000 ] - [ -0.0011919000000000, -0.0003524300000000, 0.0008400400000000 ] - [ -0.0005540500000000, 0.0001623900000000, 0.0007482200000000 ] - [ 0.0067817000000000, 0.0101755400000000, 0.0475520900000000 ] - [ -0.0012229200000000, -0.0016863100000000, 0.0006361300000000 ] - [ 0.0004736700000000, -0.0002442200000000, 0.0005692500000000 ] - [ -0.0008159600000000, -0.0005822500000000, 0.0005475900000000 ] - [ 0.0017919000000000, -0.0014591800000000, 0.0012753100000000 ] - [ 0.0010236100000000, 0.0004096300000000, -0.0008816000000000 ] - [ -0.0007969700000000, -0.0012851900000000, -0.0005568900000000 ] - [ -0.0000996300000000, 0.0008350100000000, 0.0004852800000000 ] - [ 0.0020531700000000, -0.0014892300000000, 0.0031663000000000 ] - [ -0.0023885800000000, -0.0024263000000000, -0.0034456800000000 ] - [ -0.0001484200000000, 0.0007997200000000, -0.0000355700000000 ] - [ -0.0003482500000000, -0.0000200900000000, 0.0011577900000000 ] - [ 0.0011536000000000, 0.0000802400000000, 0.0018300300000000 ] - [ -0.0000162000000000, -0.0000822700000000, -0.0007275500000000 ] - [ -0.0042185100000000, 0.0003485900000000, -0.0050710500000000 ] - [ 0.0005841100000000, 0.0002097600000000, 0.0011181100000000 ] - [ -0.0001592400000000, 0.0007389800000000, 0.0014503600000000 ] - [ 0.0000366300000000, 0.0003033200000000, 0.0008767000000000 ] - [ 0.0037512100000000, 0.0028923500000000, 0.0035683000000000 ] - [ -0.0025976500000000, -0.0043430200000000, 0.0084229300000000 ] - [ 0.0002847500000000, 0.0009606400000000, 0.0006493400000000 ] - [ 0.0021064100000000, 0.0005558600000000, -0.0016620000000000 ] - [ -0.0032593800000000, -0.0020154100000000, -0.0028441400000000 ] - [ 0.0011085700000000, -0.0003495000000000, -0.0020460300000000 ] - [ -0.0041862300000000, 0.0013257800000000, -0.0038292200000000 ] - [ 0.0018314800000000, -0.0140737400000000, 0.0060911000000000 ] - [ -0.0007085100000000, -0.0002079300000000, -0.0013137600000000 ] - [ -0.0065313700000000, 0.0055112700000000, -0.0063855500000000 ] - [ 0.0023589500000000, -0.0001474600000000, -0.0039215900000000 ] - [ 0.0002590400000000, -0.0000223000000000, 0.0009357000000000 ] - [ -0.0031321900000000, -0.0003343100000000, 0.0034824900000000 ] - [ 0.0060589300000000, 0.0002791700000000, -0.0017125000000000 ] - [ -0.0016961700000000, -0.0004273100000000, -0.0011932900000000 ] - [ 0.0007718300000000, -0.0002107400000000, -0.0013178500000000 ] - [ 0.0219791300000000, -0.0342333100000000, 0.1678566600000000 ] - [ 0.0027318900000000, -0.0017394100000000, -0.0018153300000000 ] - [ -0.0018879500000000, 0.0004012000000000, -0.0006087800000000 ] - [ 0.0156892100000000, 0.0003194400000000, 0.0008944600000000 ] - [ -0.0011285300000000, -0.0002839900000000, 0.0007930600000000 ] - [ -0.0020288600000000, -0.0002244500000000, -0.0018416600000000 ] - [ 0.0023751900000000, -0.0002876000000000, -0.0021437900000000 ] - [ -0.0016629900000000, 0.0046812000000000, 0.0086655000000000 ] - [ 0.0008525400000000, -0.0009552500000000, 0.0007089100000000 ] - [ 0.0041422500000000, 0.0002339000000000, -0.0033458800000000 ] - [ -0.0042680200000000, -0.0002153000000000, -0.0016676500000000 ] - [ -0.0030126000000000, -0.0012916600000000, 0.0292312000000000 ] - [ -0.0002295200000000, -0.0003363500000000, -0.0016318200000000 ] - [ -0.0001005000000000, 0.0005746600000000, -0.0029994600000000 ] - [ 0.0010798000000000, -0.0009052500000000, -0.0024167800000000 ] - [ 0.0011443700000000, 0.0000812700000000, 0.0019312300000000 ] - [ -0.0032265200000000, -0.0019390700000000, 0.0064490900000000 ] - [ 0.0032849800000000, 0.0004443300000000, -0.0015115400000000 ] - [ -0.0037431800000000, 0.0005790700000000, -0.0010591700000000 ] - [ 0.0048100300000000, 0.0118398000000000, 0.0137137700000000 ] - [ 0.0003370000000000, -0.0004167800000000, 0.0000261400000000 ] - [ 0.0003688400000000, -0.0009920000000000, -0.0036316000000000 ] - [ 0.0059787000000000, -0.0030183600000000, -0.0181459700000000 ] - [ -0.0016170600000000, 0.0004368200000000, -0.0003534400000000 ] - [ 0.0025367900000000, 0.0012517000000000, 0.0018925500000000 ]- atom: 69 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0000223700000000, 0.0000426800000000, 0.0002232600000000 ] - [ -0.0019287600000000, -0.0007433300000000, 0.0026116500000000 ] - [ -0.0002189300000000, 0.0044482100000000, -0.0014388200000000 ] - [ 0.0000584500000000, -0.0000255800000000, 0.0001697900000000 ] - [ -0.0006246000000000, -0.0000556200000000, 0.0005895900000000 ] - [ 0.0008495100000000, -0.0001692200000000, 0.0002241000000000 ] - [ 0.0002951700000000, 0.0000248800000000, 0.0000517200000000 ] - [ -0.0014199100000000, 0.0004772000000000, 0.0002176200000000 ] - [ 0.0001120900000000, 0.0023601000000000, -0.0014081900000000 ] - [ 0.0010854900000000, -0.0002072000000000, -0.0010538500000000 ] - [ -0.0068265300000000, 0.0082690300000000, 0.0060049300000000 ] - [ 0.0008937200000000, 0.0001446300000000, -0.0008494400000000 ] - [ 0.0000981500000000, 0.0009499700000000, -0.0004235600000000 ] - [ -0.0006594400000000, 0.0013556200000000, -0.0005212100000000 ] - [ -0.0010165000000000, -0.0003507200000000, 0.0027108400000000 ] - [ -0.0010089200000000, -0.0000961400000000, 0.0015251300000000 ] - [ 0.0018024000000000, 0.0004527800000000, -0.0016514000000000 ] - [ -0.0007195700000000, -0.0014521700000000, -0.0007193600000000 ] - [ -0.0076519400000000, 0.0065804300000000, -0.0158829400000000 ] - [ -0.0001583000000000, 0.0004278100000000, -0.0022294700000000 ] - [ -0.0005711400000000, -0.0026086400000000, -0.0001366900000000 ] - [ -0.0003732900000000, -0.0004159800000000, -0.0006588900000000 ] - [ 0.0015833200000000, -0.0004287400000000, 0.0014550500000000 ] - [ -0.0006492900000000, 0.0000422700000000, 0.0003860300000000 ] - [ -0.0020773200000000, 0.0005377500000000, -0.0001462700000000 ] - [ 0.0010197500000000, -0.0000742100000000, -0.0003324700000000 ] - [ -0.0000852000000000, -0.0002672600000000, 0.0001468900000000 ] - [ -0.0072668900000000, -0.0017931400000000, 0.0091216800000000 ] - [ 0.0033279200000000, -0.0011910700000000, -0.0008140700000000 ] - [ -0.0009707800000000, 0.0001052000000000, -0.0003783200000000 ] - [ -0.0084779600000000, -0.0057103900000000, 0.0051955900000000 ] - [ 0.0004032600000000, 0.0003737600000000, 0.0000079900000000 ] - [ 0.0008713100000000, -0.0001366900000000, -0.0010885800000000 ] - [ -0.0001725900000000, -0.0006099200000000, -0.0009823600000000 ] - [ -0.0006351300000000, -0.0003314600000000, 0.0020741500000000 ] - [ -0.0004432900000000, -0.0006024600000000, 0.0006621200000000 ] - [ 0.0013390600000000, -0.0008167700000000, -0.0008132500000000 ] - [ -0.0017633600000000, 0.0008203000000000, -0.0003581800000000 ] - [ 0.0021912900000000, -0.0145346100000000, -0.0075538300000000 ] - [ -0.0007225600000000, -0.0000389800000000, -0.0000849000000000 ] - [ 0.0003863800000000, 0.0001794600000000, -0.0001337800000000 ] - [ -0.0008717300000000, 0.0000472800000000, -0.0003732000000000 ] - [ 0.0133080000000000, 0.0082879100000000, -0.0102335600000000 ] - [ 0.0001298400000000, 0.0002547600000000, -0.0002706300000000 ] - [ 0.0007608700000000, -0.0001499800000000, -0.0000517900000000 ] - [ -0.0007740800000000, -0.0000472100000000, 0.0010246300000000 ] - [ 0.0010251700000000, 0.0009822600000000, -0.0001923800000000 ] - [ -0.0013681600000000, -0.0005712200000000, 0.0000471700000000 ] - [ 0.0020022500000000, -0.0002087100000000, -0.0033449800000000 ] - [ -0.0007682200000000, 0.0000600400000000, -0.0011198500000000 ] - [ -0.0000309100000000, 0.0001185500000000, 0.0012298900000000 ] - [ -0.0007757600000000, -0.0001515600000000, 0.0034706900000000 ] - [ 0.0003889900000000, 0.0000455300000000, -0.0037491800000000 ] - [ 0.0031046900000000, -0.0014239700000000, -0.0055038100000000 ] - [ -0.0025945800000000, -0.0029282500000000, 0.0068628100000000 ] - [ -0.0001533500000000, -0.0001681700000000, -0.0012219100000000 ] - [ 0.0009870500000000, -0.0010273400000000, -0.0009459200000000 ] - [ -0.0007026500000000, -0.0000563600000000, -0.0007722100000000 ] - [ -0.0005274300000000, -0.0006747500000000, 0.0003171800000000 ] - [ 0.0031048100000000, 0.0023373100000000, 0.0005472400000000 ] - [ -0.0003877800000000, 0.0007847000000000, -0.0001613100000000 ] - [ 0.0017615700000000, -0.0027450600000000, -0.0006706700000000 ] - [ -0.0045359000000000, 0.0307417800000000, -0.0157400100000000 ] - [ 0.0001744000000000, 0.0003094800000000, -0.0005339400000000 ] - [ 0.0004506200000000, -0.0003275900000000, -0.0009789400000000 ] - [ -0.0028051500000000, -0.0012393800000000, -0.0020715600000000 ] - [ -0.0006087100000000, 0.0009361700000000, 0.0013080200000000 ] - [ 0.0013874700000000, -0.0008663000000000, 0.0011153600000000 ] - [ 0.0565733100000000, -0.0581505800000000, 0.2808888200000000 ] - [ 0.0000487200000000, 0.0001374900000000, -0.0000682300000000 ] - [ 0.0026067300000000, -0.0016347700000000, 0.0035537600000000 ] - [ -0.0002992100000000, 0.0004522700000000, -0.0003021200000000 ] - [ -0.0044757600000000, -0.0001929300000000, -0.0010342900000000 ] - [ 0.0020487500000000, 0.0006724300000000, -0.0005382200000000 ] - [ 0.0028877600000000, -0.0024760300000000, 0.0007557500000000 ] - [ -0.0003762200000000, 0.0003302400000000, -0.0004775900000000 ] - [ 0.0050801900000000, 0.0011026200000000, -0.0013786600000000 ] - [ -0.0007898700000000, -0.0006633100000000, -0.0007094100000000 ] - [ -0.0001167100000000, -0.0001512900000000, 0.0002977500000000 ] - [ -0.0021596600000000, 0.0006221500000000, 0.0016067000000000 ] - [ 0.0035972100000000, -0.0011632100000000, -0.0025534500000000 ] - [ -0.0001408100000000, 0.0000909000000000, -0.0000610400000000 ] - [ -0.0008847400000000, 0.0001025800000000, -0.0001641000000000 ] - [ 0.0005517600000000, 0.0005235500000000, -0.0010287900000000 ] - [ -0.0000830800000000, -0.0003333700000000, -0.0009297300000000 ] - [ -0.0076497300000000, -0.0106030400000000, -0.0484168900000000 ] - [ 0.0018580400000000, 0.0015057500000000, -0.0004451600000000 ] - [ 0.0001662800000000, 0.0000715900000000, -0.0003790100000000 ] - [ 0.0006243600000000, -0.0008435100000000, -0.0005690700000000 ] - [ -0.0019818000000000, 0.0000318400000000, -0.0012981400000000 ] - [ -0.0008366700000000, -0.0018373200000000, 0.0009050200000000 ] - [ 0.0009827800000000, -0.0001493800000000, 0.0005723600000000 ] - [ 0.0002918900000000, 0.0005895000000000, -0.0004572100000000 ] - [ -0.0018683900000000, 0.0029261900000000, -0.0031349400000000 ] - [ 0.0021911600000000, 0.0038498600000000, 0.0034153300000000 ] - [ -0.0000352300000000, 0.0006309400000000, 0.0000115300000000 ] - [ 0.0004970200000000, -0.0002679000000000, -0.0003888700000000 ] - [ -0.0009984800000000, -0.0003680000000000, -0.0010516700000000 ] - [ -0.0001337500000000, -0.0002060900000000, -0.0000410900000000 ] - [ 0.0040389400000000, -0.0006267100000000, 0.0042429900000000 ] - [ -0.0007291400000000, 0.0000797000000000, -0.0018759200000000 ] - [ 0.0000078600000000, -0.0004524200000000, -0.0022186600000000 ] - [ 0.0008122800000000, 0.0004601000000000, -0.0000106500000000 ] - [ -0.0029171400000000, -0.0021385100000000, -0.0027144300000000 ] - [ 0.0018894700000000, 0.0048192300000000, -0.0087691800000000 ] - [ -0.0010257900000000, -0.0004692800000000, -0.0009714100000000 ] - [ -0.0013761200000000, -0.0000837500000000, 0.0019965000000000 ] - [ 0.0039939900000000, 0.0024985700000000, 0.0031871000000000 ] - [ -0.0018320500000000, -0.0001222400000000, 0.0016915800000000 ] - [ 0.0034671100000000, -0.0018018600000000, 0.0034745300000000 ] - [ -0.0015914200000000, 0.0141113500000000, -0.0066807500000000 ] - [ 0.0009293500000000, 0.0003519800000000, 0.0006482000000000 ] - [ 0.0062773800000000, -0.0053433400000000, 0.0070157500000000 ] - [ -0.0025775300000000, 0.0002909300000000, 0.0045948700000000 ] - [ -0.0004848500000000, -0.0001206100000000, -0.0002702700000000 ] - [ 0.0029169800000000, 0.0001651100000000, -0.0028042600000000 ] - [ -0.0058367700000000, -0.0004229800000000, 0.0010402300000000 ] - [ 0.0018930400000000, 0.0002982600000000, 0.0004930000000000 ] - [ -0.0000727400000000, 0.0003956900000000, -0.0000211500000000 ] - [ -0.0247996600000000, 0.0361100100000000, -0.1738184400000000 ] - [ -0.0034309100000000, 0.0019363800000000, 0.0031463300000000 ] - [ 0.0011750800000000, -0.0002123700000000, 0.0019340100000000 ] - [ -0.0162741000000000, -0.0005245300000000, 0.0005059900000000 ] - [ 0.0004228700000000, 0.0000967600000000, 0.0005437300000000 ] - [ 0.0027187600000000, 0.0000360000000000, 0.0005004800000000 ] - [ -0.0016678600000000, 0.0000971200000000, 0.0008091100000000 ] - [ 0.0023969000000000, -0.0051525600000000, -0.0083183200000000 ] - [ -0.0001399100000000, 0.0004708000000000, -0.0003480400000000 ] - [ -0.0038933500000000, 0.0006791800000000, 0.0043507300000000 ] - [ 0.0044956500000000, 0.0011210500000000, 0.0026653600000000 ] - [ 0.0032045300000000, 0.0003208700000000, -0.0286156900000000 ] - [ -0.0002697800000000, -0.0004290100000000, 0.0010913900000000 ] - [ 0.0005856200000000, -0.0013348000000000, 0.0035252300000000 ] - [ -0.0005840000000000, 0.0001437900000000, 0.0029623900000000 ] - [ -0.0006519100000000, 0.0006822000000000, -0.0013883000000000 ] - [ 0.0035846900000000, 0.0026092100000000, -0.0058531600000000 ] - [ -0.0037714100000000, 0.0003198500000000, 0.0009607300000000 ] - [ 0.0032463100000000, 0.0001952700000000, 0.0004931800000000 ] - [ -0.0045619300000000, -0.0127250100000000, -0.0127022000000000 ] - [ -0.0001085600000000, -0.0004985100000000, 0.0009809300000000 ] - [ -0.0006133600000000, 0.0000729700000000, 0.0025987500000000 ] - [ -0.0062187200000000, 0.0020985400000000, 0.0171744100000000 ] - [ 0.0013780900000000, 0.0004803500000000, -0.0006546600000000 ] - [ -0.0027605200000000, -0.0003335800000000, -0.0028767500000000 ]- atom: 73 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0006374300000000, 0.0001772600000000, 0.0008156700000000 ] - [ -0.0007556700000000, -0.0003157500000000, -0.0010079300000000 ] - [ -0.0000404200000000, 0.0000049400000000, -0.0009164000000000 ] - [ -0.0000637900000000, -0.0002988000000000, 0.0010432300000000 ] - [ -0.0008998400000000, -0.0001112000000000, -0.0000717400000000 ] - [ 0.0096915800000000, -0.0003848500000000, 0.0015502100000000 ] - [ 0.0004706000000000, -0.0020896000000000, 0.0019901900000000 ] - [ -0.0009279100000000, 0.0001270100000000, -0.0001675500000000 ] - [ 0.0288205400000000, 0.0322530800000000, -0.0029877100000000 ] - [ 0.0022779800000000, 0.0011449700000000, -0.0004773000000000 ] - [ -0.0028634100000000, 0.0041965800000000, 0.0035460300000000 ] - [ 0.0018023300000000, -0.0005973600000000, -0.0016883600000000 ] - [ 0.0020857800000000, 0.0029009100000000, -0.0014723500000000 ] - [ 0.0030002600000000, 0.0044281900000000, 0.0000699900000000 ] - [ -0.0021798500000000, -0.0000493900000000, 0.0010975200000000 ] - [ -0.0003154000000000, -0.0004056700000000, 0.0009392800000000 ] - [ 0.0032604800000000, 0.0014607100000000, -0.0024099700000000 ] - [ -0.0005519500000000, -0.0045436700000000, 0.0031878800000000 ] - [ 0.0404094100000000, -0.0107866400000000, 0.0254051300000000 ] - [ 0.0011502900000000, -0.0000852400000000, -0.0006928600000000 ] - [ 0.0015598800000000, 0.0013999000000000, 0.0032884500000000 ] - [ 0.0003067600000000, -0.0002512900000000, -0.0007161400000000 ] - [ 0.0004209700000000, 0.0001716800000000, -0.0001529600000000 ] - [ -0.0003403400000000, -0.0008338300000000, 0.0043891900000000 ] - [ -0.0097020300000000, 0.0043843500000000, 0.0006993100000000 ] - [ 0.0029633000000000, -0.0005699600000000, -0.0000214200000000 ] - [ 0.0005719000000000, -0.0002802300000000, -0.0009596000000000 ] - [ 0.0005233500000000, -0.0002000800000000, 0.0014120600000000 ] - [ 0.0026928500000000, -0.0009815800000000, -0.0000506000000000 ] - [ -0.0045858700000000, 0.0013505600000000, -0.0002028000000000 ] - [ -0.0047296500000000, -0.0033186800000000, 0.0027617900000000 ] - [ 0.0014003700000000, 0.0009925600000000, -0.0006615900000000 ] - [ 0.0033521900000000, 0.0000047200000000, -0.0016733200000000 ] - [ 0.0049558500000000, -0.0037426700000000, -0.0004608000000000 ] - [ -0.0019245900000000, -0.0003854900000000, 0.0007445300000000 ] - [ 0.0001561500000000, -0.0002440400000000, -0.0000418000000000 ] - [ 0.0024370500000000, -0.0012726500000000, -0.0012698300000000 ] - [ -0.0014160200000000, 0.0030288300000000, 0.0030358100000000 ] - [ 0.0011906100000000, -0.0030167300000000, 0.0015573700000000 ] - [ 0.0004266400000000, 0.0002439100000000, -0.0009285400000000 ] - [ -0.0002153900000000, -0.0004109800000000, -0.0019081700000000 ] - [ 0.0005491000000000, 0.0008863300000000, 0.0020463700000000 ] - [ 0.0058934900000000, 0.0015046200000000, 0.0012306200000000 ] - [ 0.0050298400000000, 0.0001238500000000, -0.0025663700000000 ] - [ 0.0007592500000000, -0.0002084300000000, -0.0010795700000000 ] - [ 0.0007473400000000, 0.0001768300000000, 0.0007096400000000 ] - [ 0.0004698100000000, 0.0008453000000000, -0.0001222700000000 ] - [ -0.0025485500000000, 0.0007049800000000, 0.0023659300000000 ] - [ 0.0012673500000000, 0.0000077300000000, -0.0022469100000000 ] - [ -0.0087230200000000, 0.0051336800000000, 0.0158622400000000 ] - [ 0.0006056600000000, 0.0002999800000000, -0.0015525400000000 ] - [ 0.0001568200000000, 0.0000508200000000, 0.0024187500000000 ] - [ 0.0321829700000000, -0.0027006600000000, -0.0334369400000000 ] - [ 0.0017573500000000, -0.0003645400000000, -0.0001440900000000 ] - [ -0.0008730300000000, -0.0011234700000000, 0.0026530900000000 ] - [ 0.0008044800000000, 0.0002926500000000, -0.0033097100000000 ] - [ 0.0014658300000000, -0.0014792100000000, -0.0002901500000000 ] - [ -0.0061370900000000, 0.0115817700000000, -0.0021906400000000 ] - [ 0.0005799400000000, -0.0049284000000000, -0.0044101600000000 ] - [ 0.0014619300000000, 0.0008321100000000, 0.0007956200000000 ] - [ -0.0015727700000000, 0.0033976400000000, -0.0021714000000000 ] - [ 0.0009887100000000, -0.0009377500000000, 0.0013601000000000 ] - [ 0.0002305900000000, 0.0003218300000000, 0.0012761800000000 ] - [ 0.0001243600000000, -0.0002794900000000, -0.0014989600000000 ] - [ 0.0023202600000000, 0.0003420100000000, -0.0000432800000000 ] - [ 0.0202503800000000, 0.0125327500000000, 0.0115876500000000 ] - [ -0.0029666000000000, 0.0014096600000000, -0.0005855400000000 ] - [ 0.0015330600000000, -0.0010119400000000, 0.0008762100000000 ] - [ 0.0021677700000000, -0.0007591900000000, 0.0069219000000000 ] - [ -0.0002168600000000, 0.0002694100000000, -0.0027287000000000 ] - [ -0.0011217900000000, -0.0001507200000000, 0.0001601700000000 ] - [ -0.0003718300000000, 0.0006132700000000, -0.0006895700000000 ] - [ -0.4288178000000000, -0.0770119400000000, 0.0088491100000000 ] - [ 0.0029135500000000, 0.0011298500000000, 0.0004023200000000 ] - [ 0.0029048400000000, -0.0009631100000000, 0.0006245600000000 ] - [ 0.0002956700000000, 0.0007381600000000, -0.0013782900000000 ] - [ 0.0030673300000000, 0.0008193000000000, 0.0001781900000000 ] - [ -0.0073672500000000, -0.0033891800000000, -0.0008982300000000 ] - [ 0.0000142000000000, -0.0000100000000000, -0.0005029800000000 ] - [ 0.0005240000000000, -0.0004962600000000, 0.0012261600000000 ] - [ 0.0018912400000000, -0.0002361700000000, -0.0001931700000000 ] - [ 0.0119828100000000, 0.0007231200000000, -0.0153370800000000 ] - [ -0.0030475800000000, 0.0002700800000000, -0.0009442000000000 ] - [ 0.0008058400000000, 0.0003624000000000, -0.0004598900000000 ] - [ 0.0012365100000000, -0.0019080000000000, -0.0057972800000000 ] - [ -0.0005170300000000, 0.0007557600000000, 0.0032744400000000 ] - [ 0.0004850100000000, -0.0005209000000000, 0.0017926400000000 ] - [ -0.0002255100000000, 0.0008837500000000, -0.0020751000000000 ] - [ 0.0023516600000000, -0.0017817400000000, 0.0005668800000000 ] - [ 0.0225229700000000, -0.0144714600000000, 0.0117946800000000 ] - [ -0.0025293700000000, -0.0022477800000000, -0.0013895100000000 ] - [ 0.0011375400000000, -0.0000052300000000, 0.0004769900000000 ] - [ 0.0015343800000000, -0.0012635500000000, -0.0008621100000000 ] - [ 0.0041914000000000, -0.0000072900000000, 0.0037912000000000 ] - [ -0.0002911700000000, 0.0016605000000000, 0.0010611900000000 ] - [ -0.0001238500000000, 0.0005121300000000, -0.0006262700000000 ] - [ 0.0013203500000000, -0.0000127200000000, 0.0009970100000000 ] - [ -0.0024032700000000, 0.0009332300000000, 0.0008650400000000 ] - [ -0.0014322000000000, -0.0001101500000000, -0.0071305600000000 ] - [ 0.0019267500000000, -0.0005948400000000, 0.0023966100000000 ] - [ -0.0021944500000000, 0.0010965600000000, -0.0050065600000000 ] - [ 0.0015338400000000, 0.0003507400000000, 0.0016095200000000 ] - [ 0.0041058900000000, 0.0016817800000000, -0.0003506300000000 ] - [ 0.0065175100000000, 0.0013956800000000, 0.0053365500000000 ] - [ 0.0052031300000000, 0.0027321300000000, -0.0015977100000000 ] - [ -0.0017354500000000, -0.0007387500000000, 0.0000198700000000 ] - [ -0.0062375500000000, -0.0008396500000000, 0.0016232800000000 ] - [ -0.0100829800000000, 0.0105040600000000, -0.0105169200000000 ] - [ -0.0047729100000000, 0.0001026500000000, 0.0015472100000000 ] - [ -0.0075158400000000, -0.0102854900000000, -0.0091892600000000 ] - [ -0.0027602500000000, 0.0021679300000000, -0.0047814900000000 ] - [ -0.0008430800000000, -0.0005763500000000, 0.0027015200000000 ] - [ 0.2650430400000000, 0.0345952900000000, -0.0132450700000000 ] - [ -0.0042352400000000, -0.0004944300000000, 0.0010830300000000 ] - [ -0.0005223000000000, 0.0001462800000000, 0.0030748000000000 ] - [ -0.0013252400000000, -0.0006414000000000, -0.0027515000000000 ] - [ -0.0026937800000000, -0.0007365400000000, 0.0008488000000000 ] - [ 0.0103601600000000, -0.0005536500000000, -0.0123913500000000 ] - [ -0.0007863300000000, 0.0022442900000000, 0.0038189700000000 ] - [ -0.0010203100000000, 0.0000128900000000, -0.0063809800000000 ] - [ -0.0030628100000000, 0.0011439300000000, -0.0015540800000000 ] - [ 0.0058789800000000, -0.0028085400000000, 0.0050696100000000 ] - [ -0.0066790700000000, -0.0001627500000000, -0.0008571600000000 ] - [ -0.0057700500000000, 0.0079541800000000, 0.0142949100000000 ] - [ 0.0133930500000000, -0.0078469700000000, -0.0025631300000000 ] - [ -0.0035994700000000, 0.0002208600000000, -0.0006751300000000 ] - [ 0.0051584000000000, -0.0040951100000000, -0.0028812700000000 ] - [ -0.0006118700000000, 0.0010525400000000, 0.0009682400000000 ] - [ -0.0055504100000000, 0.0009216700000000, 0.0005303400000000 ] - [ 0.0279625900000000, 0.0134080900000000, 0.0015534500000000 ] - [ -0.0048001800000000, 0.0047329400000000, -0.0253973900000000 ] - [ -0.0047266100000000, -0.0014529200000000, 0.0032683000000000 ] - [ -0.0047542200000000, -0.0167393900000000, 0.0059801700000000 ] - [ -0.0066960700000000, -0.0002849000000000, 0.0016374700000000 ] - [ 0.0020292400000000, -0.0002769900000000, 0.0043356900000000 ] - [ -0.0010455400000000, 0.0006355200000000, -0.0038382100000000 ] - [ -0.0043939000000000, 0.0000928100000000, 0.0015146400000000 ] - [ 0.0057651400000000, -0.0008518800000000, -0.0047145100000000 ] - [ 0.0003573800000000, -0.0000814500000000, -0.0034239400000000 ] - [ -0.0005044200000000, -0.0006102000000000, 0.0037401200000000 ] - [ -0.0054902200000000, 0.0049226800000000, 0.0216076200000000 ] - [ -0.0064789700000000, 0.0000634400000000, -0.0049732700000000 ] - [ 0.0043432400000000, 0.0033593400000000, 0.0047395300000000 ] - [ -0.0029802500000000, 0.0003039400000000, -0.0023079800000000 ]- atom: 73 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0008590900000000, -0.0001545900000000, -0.0008322400000000 ] - [ 0.0005350600000000, 0.0003373800000000, 0.0009878500000000 ] - [ 0.0002588700000000, 0.0000196000000000, 0.0009314000000000 ] - [ 0.0002830000000000, 0.0003223400000000, -0.0010253500000000 ] - [ 0.0011175300000000, 0.0000882000000000, 0.0000885500000000 ] - [ -0.0091754600000000, -0.0000378200000000, -0.0016018600000000 ] - [ -0.0006758500000000, 0.0020623400000000, -0.0020079500000000 ] - [ 0.0007094100000000, -0.0001505800000000, 0.0001505900000000 ] - [ -0.0278679200000000, -0.0325888600000000, 0.0026369100000000 ] - [ -0.0010723200000000, -0.0010977000000000, 0.0001248800000000 ] - [ 0.0040909500000000, -0.0032507600000000, -0.0048881600000000 ] - [ -0.0005991700000000, 0.0015605600000000, 0.0003440200000000 ] - [ -0.0032885900000000, -0.0019364600000000, 0.0028144300000000 ] - [ -0.0041885300000000, -0.0034401500000000, 0.0012693200000000 ] - [ 0.0009780400000000, -0.0009139500000000, 0.0002478700000000 ] - [ -0.0008866700000000, -0.0005598300000000, 0.0003998100000000 ] - [ -0.0020565700000000, -0.0024256600000000, 0.0010672800000000 ] - [ 0.0017377200000000, 0.0035610200000000, -0.0045162200000000 ] - [ -0.0412593800000000, 0.0109936300000000, -0.0267804700000000 ] - [ -0.0012767900000000, 0.0000793100000000, -0.0003170500000000 ] - [ -0.0014286700000000, -0.0014012100000000, -0.0022795800000000 ] - [ -0.0001852200000000, 0.0002433100000000, 0.0017131500000000 ] - [ -0.0002911300000000, -0.0001673500000000, 0.0011631400000000 ] - [ 0.0004638100000000, 0.0008449300000000, -0.0034012400000000 ] - [ 0.0087049200000000, -0.0037467600000000, -0.0003128800000000 ] - [ -0.0039654400000000, 0.0012094800000000, 0.0004097000000000 ] - [ -0.0015820400000000, -0.0003609800000000, 0.0013489500000000 ] - [ -0.0015381200000000, -0.0004412300000000, -0.0010245300000000 ] - [ -0.0016807500000000, 0.0003393400000000, -0.0003375800000000 ] - [ 0.0055948200000000, -0.0019848600000000, -0.0001939700000000 ] - [ 0.0047830000000000, 0.0035150600000000, -0.0026434800000000 ] - [ -0.0013687700000000, -0.0008033700000000, 0.0007756000000000 ] - [ -0.0033720900000000, 0.0001856800000000, 0.0015520700000000 ] - [ -0.0049741800000000, 0.0039149600000000, 0.0003420800000000 ] - [ 0.0018937700000000, 0.0001927300000000, -0.0008551100000000 ] - [ -0.0001867100000000, 0.0000557900000000, -0.0000765000000000 ] - [ -0.0024055100000000, 0.0010842000000000, 0.0013857200000000 ] - [ 0.0014295400000000, -0.0031966700000000, -0.0029034100000000 ] - [ -0.0023990700000000, 0.0030794000000000, -0.0012062300000000 ] - [ -0.0016311100000000, -0.0001948000000000, 0.0012760800000000 ] - [ 0.0000904700000000, 0.0004189900000000, 0.0009082400000000 ] - [ -0.0006799500000000, -0.0008814400000000, -0.0030565200000000 ] - [ -0.0049006700000000, -0.0008722800000000, -0.0016195600000000 ] - [ -0.0040231600000000, 0.0005017000000000, 0.0021725800000000 ] - [ 0.0004438600000000, 0.0001615300000000, 0.0007302900000000 ] - [ 0.0004542600000000, -0.0002216700000000, -0.0010619400000000 ] - [ -0.0016712700000000, -0.0008889600000000, 0.0004740400000000 ] - [ 0.0013432000000000, -0.0007608800000000, -0.0020218800000000 ] - [ -0.0016663000000000, 0.0004133600000000, 0.0008103700000000 ] - [ 0.0082300400000000, -0.0047555300000000, -0.0173207800000000 ] - [ -0.0002114100000000, 0.0001197700000000, 0.0030027100000000 ] - [ 0.0002438500000000, 0.0003702400000000, -0.0009841400000000 ] - [ -0.0321015900000000, 0.0022571600000000, 0.0352369500000000 ] - [ -0.0013532000000000, -0.0000578400000000, 0.0015768700000000 ] - [ 0.0004748600000000, 0.0007059500000000, -0.0040924100000000 ] - [ -0.0012068000000000, -0.0007122100000000, 0.0018692900000000 ] - [ -0.0012625700000000, 0.0007439500000000, -0.0003864400000000 ] - [ 0.0062728500000000, -0.0122888400000000, 0.0014870200000000 ] - [ -0.0008161700000000, 0.0041714900000000, 0.0051044800000000 ] - [ -0.0016665000000000, -0.0015692200000000, -0.0001194200000000 ] - [ 0.0013770400000000, -0.0026716600000000, 0.0028486100000000 ] - [ -0.0011880500000000, 0.0016679000000000, -0.0006799100000000 ] - [ -0.0000276000000000, 0.0004179500000000, -0.0019519400000000 ] - [ 0.0000783400000000, 0.0010159300000000, 0.0008209000000000 ] - [ -0.0031649900000000, -0.0011031100000000, -0.0008174200000000 ] - [ -0.0208942900000000, -0.0132462100000000, -0.0123785600000000 ] - [ 0.0038209900000000, -0.0021736100000000, 0.0014632500000000 ] - [ -0.0006871100000000, 0.0002506200000000, -0.0000164600000000 ] - [ -0.0020232500000000, 0.0010485600000000, -0.0061671200000000 ] - [ 0.0003664800000000, 0.0000194400000000, 0.0034959500000000 ] - [ 0.0002804300000000, 0.0009115400000000, -0.0010177500000000 ] - [ -0.0004775200000000, 0.0001504900000000, -0.0001751000000000 ] - [ 0.4477461200000000, 0.0799143400000000, -0.0108103500000000 ] - [ -0.0035730500000000, -0.0008264400000000, 0.0001548100000000 ] - [ -0.0022419400000000, 0.0012686300000000, -0.0011824600000000 ] - [ 0.0003535300000000, -0.0004271000000000, 0.0008195300000000 ] - [ -0.0023954400000000, -0.0011193200000000, -0.0007335200000000 ] - [ 0.0080398700000000, 0.0030886800000000, 0.0003360400000000 ] - [ -0.0006796100000000, -0.0002919000000000, 0.0010613100000000 ] - [ -0.0011878800000000, 0.0001935800000000, -0.0006685600000000 ] - [ -0.0012551600000000, 0.0004087100000000, 0.0003800300000000 ] - [ -0.0112264500000000, -0.0005152800000000, 0.0153406200000000 ] - [ 0.0024024600000000, -0.0000617600000000, 0.0007665800000000 ] - [ -0.0014430100000000, -0.0001908900000000, 0.0002728700000000 ] - [ -0.0018777700000000, 0.0017350000000000, 0.0056194700000000 ] - [ -0.0001220300000000, -0.0009273700000000, -0.0034579400000000 ] - [ 0.0001539100000000, 0.0003486900000000, -0.0016023900000000 ] - [ 0.0008675500000000, -0.0010538600000000, 0.0022558300000000 ] - [ -0.0025388100000000, 0.0003536700000000, -0.0005895800000000 ] - [ -0.0224460900000000, 0.0128610000000000, -0.0116677900000000 ] - [ 0.0027236500000000, 0.0008297100000000, 0.0014201400000000 ] - [ -0.0009484000000000, -0.0014210200000000, -0.0004545500000000 ] - [ -0.0013442500000000, 0.0026936600000000, 0.0008841000000000 ] - [ -0.0039824900000000, 0.0014327300000000, -0.0037459700000000 ] - [ 0.0001084000000000, -0.0002318800000000, -0.0010791400000000 ] - [ -0.0000674900000000, 0.0009119100000000, 0.0005999500000000 ] - [ -0.0011679000000000, -0.0002750200000000, -0.0002251600000000 ] - [ 0.0025454800000000, -0.0012141800000000, -0.0001131200000000 ] - [ 0.0012733700000000, -0.0001893900000000, 0.0063520000000000 ] - [ -0.0020819100000000, 0.0003073800000000, -0.0031724200000000 ] - [ 0.0020510500000000, -0.0008061500000000, 0.0042382300000000 ] - [ -0.0016814000000000, -0.0000619500000000, -0.0023750500000000 ] - [ -0.0032612400000000, -0.0009227200000000, 0.0012079100000000 ] - [ -0.0056524800000000, -0.0006336800000000, -0.0044529800000000 ] - [ -0.0059388600000000, -0.0022609300000000, 0.0012414800000000 ] - [ 0.0010099400000000, 0.0012100600000000, -0.0003590900000000 ] - [ 0.0069563200000000, 0.0013185500000000, -0.0012759200000000 ] - [ 0.0108190400000000, -0.0099927600000000, 0.0108352500000000 ] - [ 0.0040430300000000, -0.0005791200000000, -0.0018897900000000 ] - [ 0.0067640700000000, 0.0097441200000000, 0.0087898000000000 ] - [ 0.0029795200000000, -0.0020412700000000, 0.0041130500000000 ] - [ 0.0010803800000000, 0.0007134000000000, -0.0033606400000000 ] - [ -0.2860376000000000, -0.0381655900000000, 0.0157243000000000 ] - [ 0.0040068500000000, 0.0006365500000000, -0.0004100400000000 ] - [ 0.0003023400000000, -0.0002880800000000, -0.0024194100000000 ] - [ 0.0011053000000000, 0.0004997800000000, 0.0034228700000000 ] - [ 0.0029080800000000, 0.0005935800000000, -0.0015203300000000 ] - [ -0.0101547300000000, 0.0004205000000000, 0.0117714100000000 ] - [ 0.0014904400000000, -0.0020589800000000, -0.0051527400000000 ] - [ 0.0017279700000000, 0.0001691000000000, 0.0050470000000000 ] - [ 0.0023544000000000, -0.0009533500000000, 0.0028842100000000 ] - [ -0.0065980400000000, 0.0029960000000000, -0.0037210300000000 ] - [ 0.0059891300000000, -0.0000246000000000, 0.0021948700000000 ] - [ 0.0050941200000000, -0.0080449600000000, -0.0129285900000000 ] - [ -0.0126954400000000, 0.0076316600000000, 0.0012429200000000 ] - [ 0.0042965800000000, -0.0004090300000000, -0.0006614800000000 ] - [ -0.0044521200000000, 0.0036322100000000, 0.0032005400000000 ] - [ 0.0013383900000000, -0.0015241100000000, -0.0006191800000000 ] - [ 0.0057832200000000, -0.0000058300000000, 0.0004768500000000 ] - [ -0.0259931700000000, -0.0106854400000000, 0.0001649400000000 ] - [ 0.0042974500000000, -0.0054995200000000, 0.0249331600000000 ] - [ 0.0042330000000000, 0.0006894100000000, -0.0038066900000000 ] - [ 0.0052285300000000, 0.0159613500000000, -0.0054391300000000 ] - [ 0.0071767800000000, -0.0004839600000000, -0.0010821500000000 ] - [ -0.0015326800000000, 0.0010444100000000, -0.0037974100000000 ] - [ 0.0015464200000000, 0.0001289200000000, 0.0043984700000000 ] - [ 0.0038956400000000, 0.0006701500000000, -0.0020662100000000 ] - [ -0.0062162900000000, 0.0016130100000000, 0.0041807100000000 ] - [ -0.0001292400000000, -0.0008401900000000, 0.0044281800000000 ] - [ 0.0007422400000000, -0.0003075900000000, -0.0027226000000000 ] - [ 0.0052539500000000, -0.0058354600000000, -0.0226218400000000 ] - [ 0.0062258800000000, -0.0009711400000000, 0.0039526100000000 ] - [ -0.0045558400000000, -0.0024703600000000, -0.0057872700000000 ] - [ 0.0027448600000000, 0.0006128900000000, 0.0013007100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003400000000000, -0.0003391900000000, 0.0002390400000000 ] - [ -0.0004420300000000, -0.0001555200000000, -0.0003469900000000 ] - [ -0.0000014200000000, 0.0001094200000000, -0.0002251100000000 ] - [ 0.0001050900000000, 0.0000444300000000, 0.0003095500000000 ] - [ -0.0002425500000000, -0.0000029500000000, -0.0001252700000000 ] - [ 0.0008608900000000, 0.0071563700000000, 0.0001171300000000 ] - [ -0.0004629600000000, -0.0010884900000000, 0.0014046000000000 ] - [ -0.0003101800000000, -0.0000830200000000, -0.0001066200000000 ] - [ 0.0438932000000000, 0.0280789300000000, -0.0014506600000000 ] - [ 0.0010431200000000, 0.0003758700000000, -0.0002638500000000 ] - [ 0.0008312500000000, -0.0000720200000000, -0.0000669900000000 ] - [ 0.0008453800000000, 0.0001785500000000, -0.0009032400000000 ] - [ 0.0020188100000000, 0.0036583400000000, -0.0014748800000000 ] - [ 0.0015988600000000, 0.0031898000000000, 0.0001642800000000 ] - [ -0.0006441200000000, -0.0004562800000000, 0.0005529900000000 ] - [ -0.0007315500000000, -0.0002067200000000, 0.0009942200000000 ] - [ 0.0017928100000000, -0.0000059900000000, -0.0016651600000000 ] - [ 0.0001849000000000, -0.0007712000000000, -0.0003334700000000 ] - [ -0.0113651900000000, -0.0081723100000000, -0.0054897200000000 ] - [ 0.0002914300000000, -0.0000793900000000, -0.0005766700000000 ] - [ 0.0018072600000000, 0.0021024300000000, 0.0034655300000000 ] - [ -0.0000123600000000, 0.0000274600000000, 0.0000047400000000 ] - [ 0.0002318200000000, 0.0000134000000000, 0.0003680100000000 ] - [ 0.0002182100000000, -0.0007704000000000, 0.0034168000000000 ] - [ -0.0054873600000000, 0.0047980700000000, 0.0003087200000000 ] - [ 0.0005422900000000, 0.0001109000000000, 0.0001399300000000 ] - [ -0.0004204500000000, -0.0003185600000000, -0.0000588800000000 ] - [ -0.0002010200000000, -0.0002527300000000, 0.0004646900000000 ] - [ 0.0013621400000000, -0.0005525600000000, -0.0001648500000000 ] - [ -0.0014518400000000, 0.0006277600000000, -0.0008366500000000 ] - [ -0.0003654100000000, 0.0001025100000000, -0.0002195000000000 ] - [ 0.0002742100000000, 0.0003213900000000, -0.0000619500000000 ] - [ 0.0035230000000000, -0.0011503000000000, -0.0020363800000000 ] - [ 0.0002663700000000, -0.0000277200000000, -0.0001720200000000 ] - [ -0.0004397400000000, -0.0005147800000000, 0.0003327800000000 ] - [ -0.0002440900000000, -0.0003865900000000, 0.0000971100000000 ] - [ 0.0009197100000000, -0.0002405700000000, -0.0005928500000000 ] - [ -0.0008014500000000, 0.0020660800000000, 0.0016211800000000 ] - [ -0.0006613300000000, 0.0010458200000000, 0.0007383700000000 ] - [ -0.0003725600000000, 0.0002917500000000, -0.0002542100000000 ] - [ -0.0000719200000000, -0.0000827600000000, -0.0007334700000000 ] - [ 0.0000454200000000, 0.0003303600000000, 0.0000927700000000 ] - [ 0.0003682600000000, 0.0000073200000000, -0.0000286500000000 ] - [ 0.0015055600000000, -0.0007632800000000, -0.0010863900000000 ] - [ 0.0006583000000000, -0.0003206600000000, -0.0003371600000000 ] - [ 0.0007490500000000, -0.0002605900000000, 0.0000371900000000 ] - [ -0.0001532000000000, 0.0003766700000000, 0.0000674100000000 ] - [ -0.0009950000000000, 0.0020883600000000, 0.0013667000000000 ] - [ 0.0002676200000000, 0.0001637900000000, -0.0011383400000000 ] - [ -0.0021976800000000, 0.0033343700000000, 0.0122220800000000 ] - [ -0.0000557900000000, 0.0002230500000000, 0.0009628900000000 ] - [ 0.0001739900000000, 0.0000839500000000, 0.0012911000000000 ] - [ 0.0005757800000000, -0.0112787500000000, -0.0007952400000000 ] - [ 0.0006774400000000, -0.0003491900000000, 0.0004006400000000 ] - [ -0.0003556600000000, -0.0001046100000000, 0.0007392000000000 ] - [ -0.0000381000000000, 0.0000017500000000, -0.0014550400000000 ] - [ 0.0005102800000000, -0.0006609100000000, -0.0002480600000000 ] - [ -0.0013917700000000, 0.0125279000000000, -0.0013915700000000 ] - [ -0.0027020400000000, -0.0025015300000000, 0.0019753100000000 ] - [ 0.0000928400000000, -0.0004014500000000, 0.0006198200000000 ] - [ -0.0002755500000000, 0.0001642500000000, -0.0005011500000000 ] - [ 0.0002446600000000, -0.0000940000000000, 0.0006227700000000 ] - [ 0.0002716900000000, 0.0006965100000000, 0.0000866300000000 ] - [ 0.0000469900000000, 0.0003943200000000, -0.0005905500000000 ] - [ 0.0006123800000000, 0.0003634400000000, -0.0002414300000000 ] - [ 0.0118333700000000, 0.0081432300000000, 0.0071023600000000 ] - [ 0.0000788200000000, -0.0002201700000000, 0.0012416100000000 ] - [ 0.0007124400000000, -0.0006248800000000, 0.0006037100000000 ] - [ 0.0002447800000000, 0.0000218700000000, 0.0009407100000000 ] - [ -0.0000475900000000, 0.0002162500000000, -0.0003474800000000 ] - [ -0.0005617000000000, 0.0006360200000000, -0.0004646700000000 ] - [ -0.0006258900000000, 0.0006125300000000, -0.0005486300000000 ] - [ -0.0798058100000000, -0.1006678900000000, -0.0104363000000000 ] - [ 0.0006542800000000, 0.0004322900000000, 0.0003571400000000 ] - [ 0.0014519600000000, 0.0001149000000000, 0.0002513300000000 ] - [ -0.0002478100000000, 0.0010432700000000, -0.0006973800000000 ] - [ 0.0013074400000000, 0.0001055500000000, -0.0001480500000000 ] - [ -0.0029368900000000, -0.0008991100000000, 0.0005908100000000 ] - [ -0.0004716500000000, -0.0000920200000000, 0.0001120000000000 ] - [ 0.0000158300000000, -0.0003045800000000, 0.0005704400000000 ] - [ 0.0004669000000000, 0.0001378200000000, 0.0004011400000000 ] - [ 0.0060751200000000, -0.0030425300000000, -0.0079434400000000 ] - [ -0.0016271000000000, 0.0053782900000000, -0.0001225700000000 ] - [ 0.0000351000000000, 0.0001389700000000, -0.0000623400000000 ] - [ -0.0002397300000000, -0.0005597800000000, -0.0010079500000000 ] - [ -0.0002451300000000, -0.0000436900000000, 0.0004850300000000 ] - [ 0.0004622400000000, -0.0001112000000000, 0.0005432200000000 ] - [ 0.0002327100000000, 0.0004345800000000, -0.0013076700000000 ] - [ 0.0009791600000000, -0.0015627700000000, 0.0001711100000000 ] - [ -0.0025611000000000, -0.0076712600000000, -0.0004372500000000 ] - [ -0.0000255700000000, 0.0001072900000000, -0.0002607200000000 ] - [ 0.0004087200000000, -0.0004167300000000, 0.0002295600000000 ] - [ -0.0001142000000000, 0.0010313800000000, -0.0006868200000000 ] - [ 0.0022090400000000, 0.0001813400000000, 0.0018365000000000 ] - [ 0.0001965000000000, 0.0009346800000000, 0.0004768300000000 ] - [ -0.0002597500000000, 0.0005173100000000, -0.0002480700000000 ] - [ 0.0005543400000000, -0.0000566800000000, 0.0007205200000000 ] - [ -0.0012529900000000, 0.0023997900000000, 0.0004085700000000 ] - [ -0.0004574300000000, -0.0010480500000000, -0.0021927200000000 ] - [ 0.0002051500000000, -0.0002749100000000, 0.0004429700000000 ] - [ -0.0009562100000000, 0.0004998600000000, -0.0042191700000000 ] - [ 0.0004367800000000, 0.0003172300000000, 0.0001953900000000 ] - [ 0.0003163600000000, -0.0001694300000000, -0.0003173000000000 ] - [ 0.0007659500000000, 0.0000326300000000, 0.0005729400000000 ] - [ -0.0001475400000000, -0.0002192700000000, 0.0002976500000000 ] - [ -0.0004713300000000, -0.0003669600000000, -0.0003613500000000 ] - [ -0.0025245100000000, 0.0021179600000000, 0.0023918600000000 ] - [ 0.0000332300000000, 0.0012071800000000, -0.0002646700000000 ] - [ -0.0018445700000000, -0.0018947200000000, 0.0014460300000000 ] - [ -0.0046762400000000, -0.0058700200000000, -0.0051339400000000 ] - [ -0.0015976900000000, -0.0019184200000000, -0.0031787800000000 ] - [ 0.0003659400000000, -0.0005249800000000, 0.0006728800000000 ] - [ 0.0221261400000000, 0.0585343200000000, 0.0008532200000000 ] - [ -0.0013102000000000, 0.0000351800000000, 0.0005753800000000 ] - [ 0.0000591900000000, 0.0002411100000000, 0.0004449000000000 ] - [ -0.0005213700000000, 0.0000448400000000, -0.0005395100000000 ] - [ -0.0009472000000000, -0.0003907700000000, -0.0000104800000000 ] - [ 0.0047566000000000, -0.0017294100000000, -0.0093282200000000 ] - [ 0.0003664300000000, 0.0003001300000000, 0.0002831500000000 ] - [ -0.0001368800000000, -0.0001564700000000, -0.0015807300000000 ] - [ -0.0013661400000000, 0.0003315400000000, 0.0000601900000000 ] - [ 0.0014859900000000, 0.0000856300000000, 0.0045343700000000 ] - [ -0.0007716700000000, 0.0000517900000000, -0.0001888400000000 ] - [ -0.0004858900000000, 0.0082813600000000, 0.0048895800000000 ] - [ 0.0075094200000000, -0.0131861000000000, -0.0009249800000000 ] - [ -0.0009491900000000, -0.0000457000000000, -0.0008605200000000 ] - [ 0.0002758600000000, 0.0001662100000000, -0.0016005900000000 ] - [ 0.0004208200000000, 0.0003615100000000, 0.0002722100000000 ] - [ -0.0015792000000000, 0.0006650200000000, 0.0000603700000000 ] - [ 0.0176465900000000, 0.0250348500000000, 0.0050940100000000 ] - [ 0.0004714100000000, 0.0003707200000000, 0.0001439000000000 ] - [ -0.0013096300000000, -0.0005228400000000, 0.0006729000000000 ] - [ -0.0081452000000000, -0.0160366800000000, 0.0058813600000000 ] - [ -0.0015892900000000, -0.0015531900000000, 0.0009869600000000 ] - [ 0.0006344500000000, 0.0007107800000000, 0.0012409700000000 ] - [ -0.0001496900000000, 0.0008487000000000, -0.0016601000000000 ] - [ -0.0019739100000000, 0.0001098300000000, 0.0002786400000000 ] - [ 0.0020919300000000, -0.0028860800000000, -0.0003940000000000 ] - [ 0.0000752500000000, -0.0008148300000000, -0.0009472900000000 ] - [ 0.0002171100000000, -0.0007519700000000, 0.0016924200000000 ] - [ 0.0008458000000000, 0.0016110100000000, 0.0029914900000000 ] - [ -0.0018640300000000, 0.0007687100000000, -0.0015101200000000 ] - [ 0.0019750900000000, -0.0019455500000000, -0.0020883500000000 ] - [ -0.0010590500000000, 0.0006738900000000, -0.0012485300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005537100000000, 0.0003655900000000, -0.0002528700000000 ] - [ 0.0002193100000000, 0.0001774400000000, 0.0003243900000000 ] - [ 0.0002195800000000, -0.0000870800000000, 0.0002372100000000 ] - [ 0.0001135900000000, -0.0000244500000000, -0.0002861500000000 ] - [ 0.0004565900000000, -0.0000206700000000, 0.0001421700000000 ] - [ -0.0001628400000000, -0.0076994800000000, -0.0001981400000000 ] - [ 0.0002417600000000, 0.0010614000000000, -0.0014003100000000 ] - [ 0.0000867300000000, 0.0000620700000000, 0.0000886200000000 ] - [ -0.0432011300000000, -0.0282781000000000, 0.0010349500000000 ] - [ 0.0001684200000000, -0.0003239500000000, -0.0000880900000000 ] - [ 0.0003504700000000, 0.0010644700000000, -0.0012448300000000 ] - [ 0.0003618200000000, 0.0007817800000000, -0.0004433000000000 ] - [ -0.0032268500000000, -0.0027017300000000, 0.0028197100000000 ] - [ -0.0027731300000000, -0.0021962200000000, 0.0011725300000000 ] - [ -0.0005663000000000, -0.0005087400000000, 0.0007909900000000 ] - [ -0.0004691000000000, -0.0007576300000000, 0.0003498000000000 ] - [ -0.0005790500000000, -0.0009462100000000, 0.0003180700000000 ] - [ 0.0010179200000000, -0.0001982500000000, -0.0009976000000000 ] - [ 0.0114377600000000, 0.0080837300000000, 0.0046030000000000 ] - [ -0.0004119000000000, 0.0000722300000000, -0.0004295300000000 ] - [ -0.0016839200000000, -0.0021128200000000, -0.0024645500000000 ] - [ 0.0001416000000000, -0.0000335300000000, 0.0009960100000000 ] - [ -0.0001027700000000, -0.0000065200000000, 0.0006351200000000 ] - [ -0.0000946300000000, 0.0007672300000000, -0.0023770500000000 ] - [ 0.0044242400000000, -0.0041336700000000, 0.0000860000000000 ] - [ -0.0015326400000000, 0.0005262300000000, 0.0002481800000000 ] - [ -0.0005806800000000, -0.0003232000000000, 0.0004415900000000 ] - [ -0.0007984100000000, -0.0003872300000000, -0.0000684600000000 ] - [ -0.0003439800000000, -0.0000910900000000, -0.0002234100000000 ] - [ 0.0024309400000000, -0.0012552300000000, 0.0004523700000000 ] - [ 0.0003650600000000, 0.0000595200000000, 0.0003540500000000 ] - [ -0.0002376300000000, -0.0001292900000000, 0.0001749100000000 ] - [ -0.0035567800000000, 0.0013560300000000, 0.0019256200000000 ] - [ -0.0002851900000000, 0.0002136000000000, 0.0000550500000000 ] - [ 0.0003983200000000, 0.0003268800000000, -0.0004433000000000 ] - [ 0.0002136800000000, 0.0001975300000000, -0.0002122000000000 ] - [ -0.0008784900000000, 0.0000443200000000, 0.0007050300000000 ] - [ 0.0008275300000000, -0.0022320000000000, -0.0014839900000000 ] - [ -0.0005284000000000, -0.0010315100000000, -0.0003815300000000 ] - [ -0.0008246200000000, -0.0002474700000000, 0.0005989600000000 ] - [ -0.0000555700000000, 0.0000876000000000, -0.0002794500000000 ] - [ -0.0001664700000000, -0.0003164800000000, -0.0010810100000000 ] - [ 0.0006773700000000, 0.0006436600000000, -0.0003510700000000 ] - [ -0.0004760700000000, 0.0014019300000000, 0.0006847900000000 ] - [ 0.0005454500000000, 0.0002771200000000, -0.0000185900000000 ] - [ 0.0004556500000000, 0.0002180700000000, -0.0003833500000000 ] - [ -0.0010456900000000, -0.0004179800000000, 0.0002823600000000 ] - [ -0.0002224800000000, -0.0021280500000000, -0.0010001000000000 ] - [ -0.0006605500000000, 0.0002561800000000, -0.0003065000000000 ] - [ 0.0017509300000000, -0.0028935500000000, -0.0134783500000000 ] - [ 0.0004603600000000, 0.0002007300000000, 0.0004591200000000 ] - [ 0.0002261900000000, 0.0003368300000000, 0.0001562200000000 ] - [ 0.0001072000000000, 0.0108363500000000, 0.0019917800000000 ] - [ -0.0002698600000000, -0.0000726000000000, 0.0010331900000000 ] - [ -0.0000481700000000, -0.0003231900000000, -0.0021628900000000 ] - [ -0.0003560100000000, -0.0004198000000000, 0.0000038400000000 ] - [ -0.0003009800000000, -0.0000804100000000, -0.0004286200000000 ] - [ 0.0015847500000000, -0.0130896700000000, 0.0006943100000000 ] - [ 0.0024963900000000, 0.0017560500000000, -0.0013114700000000 ] - [ -0.0002855100000000, -0.0003245600000000, 0.0000596900000000 ] - [ 0.0000623600000000, 0.0006015900000000, 0.0011631300000000 ] - [ -0.0004424800000000, 0.0008240300000000, 0.0000600500000000 ] - [ -0.0000681000000000, 0.0000373000000000, -0.0007548000000000 ] - [ 0.0001547500000000, 0.0003347400000000, -0.0000936200000000 ] - [ -0.0014467800000000, -0.0011272100000000, -0.0006186200000000 ] - [ -0.0125254100000000, -0.0088222200000000, -0.0078820100000000 ] - [ 0.0007471300000000, -0.0005265900000000, -0.0003877100000000 ] - [ 0.0001401300000000, -0.0001399500000000, 0.0002606900000000 ] - [ -0.0000793100000000, 0.0002595700000000, -0.0001273800000000 ] - [ 0.0001959900000000, 0.0000718000000000, 0.0010985700000000 ] - [ -0.0002897500000000, 0.0001220000000000, -0.0003940900000000 ] - [ -0.0002217500000000, 0.0001513800000000, -0.0003148500000000 ] - [ 0.0769707600000000, 0.1006838500000000, 0.0109729400000000 ] - [ -0.0013011800000000, -0.0001248000000000, 0.0002014000000000 ] - [ -0.0007779600000000, 0.0001800000000000, -0.0008063900000000 ] - [ 0.0009159500000000, -0.0007361000000000, 0.0001311700000000 ] - [ -0.0006306200000000, -0.0004038700000000, -0.0004073300000000 ] - [ 0.0035426500000000, 0.0005692400000000, -0.0011527800000000 ] - [ -0.0001899900000000, -0.0002083600000000, 0.0004412100000000 ] - [ -0.0006730900000000, 0.0000009400000000, -0.0000075900000000 ] - [ 0.0001810100000000, 0.0000326000000000, -0.0002169600000000 ] - [ -0.0053926200000000, 0.0031743700000000, 0.0080311700000000 ] - [ 0.0009818000000000, -0.0051905000000000, -0.0000890700000000 ] - [ -0.0006680500000000, 0.0000340300000000, -0.0001251200000000 ] - [ -0.0003863400000000, 0.0003741800000000, 0.0007796700000000 ] - [ -0.0003932200000000, -0.0001243900000000, -0.0006530900000000 ] - [ 0.0001772800000000, -0.0000620300000000, -0.0003484400000000 ] - [ 0.0004015900000000, -0.0006004100000000, 0.0014878400000000 ] - [ -0.0011577500000000, 0.0001357100000000, -0.0001902400000000 ] - [ 0.0023344700000000, 0.0062103700000000, 0.0004058600000000 ] - [ 0.0001990600000000, -0.0015424200000000, 0.0002714900000000 ] - [ -0.0002134000000000, -0.0010051800000000, -0.0002027200000000 ] - [ 0.0003182100000000, 0.0003708900000000, 0.0007096000000000 ] - [ -0.0019914400000000, 0.0012361600000000, -0.0017897900000000 ] - [ -0.0003865800000000, 0.0005000200000000, -0.0004935800000000 ] - [ 0.0000690500000000, 0.0009080300000000, 0.0002206900000000 ] - [ -0.0003978800000000, -0.0002308300000000, 0.0000525100000000 ] - [ 0.0013955700000000, -0.0026708100000000, 0.0003903900000000 ] - [ 0.0002986900000000, 0.0007590500000000, 0.0013902200000000 ] - [ -0.0003425400000000, -0.0000161000000000, -0.0011948600000000 ] - [ 0.0007980700000000, -0.0002004800000000, 0.0034467000000000 ] - [ -0.0005793900000000, -0.0000267600000000, -0.0009547200000000 ] - [ 0.0005655300000000, 0.0009497400000000, 0.0011791600000000 ] - [ 0.0000967100000000, 0.0007315300000000, 0.0002983900000000 ] - [ -0.0005412100000000, 0.0007151500000000, -0.0006481100000000 ] - [ -0.0002605500000000, 0.0008351000000000, 0.0000174600000000 ] - [ 0.0032173000000000, -0.0016722200000000, -0.0020582300000000 ] - [ 0.0006542100000000, -0.0007237500000000, 0.0005885200000000 ] - [ 0.0010970100000000, 0.0014433000000000, -0.0017938900000000 ] - [ 0.0038860000000000, 0.0053444600000000, 0.0047343700000000 ] - [ 0.0018131600000000, 0.0020922500000000, 0.0025009900000000 ] - [ -0.0001544300000000, 0.0006658100000000, -0.0013242800000000 ] - [ -0.0217314500000000, -0.0579392000000000, -0.0002519700000000 ] - [ 0.0010668100000000, 0.0001053900000000, 0.0000950600000000 ] - [ -0.0002838200000000, -0.0003856100000000, 0.0002383500000000 ] - [ 0.0002896500000000, -0.0001932200000000, 0.0011893800000000 ] - [ 0.0011557500000000, 0.0002460900000000, -0.0006519400000000 ] - [ -0.0044490700000000, 0.0015850600000000, 0.0085644400000000 ] - [ 0.0003290200000000, -0.0000938400000000, -0.0015908700000000 ] - [ 0.0008279000000000, 0.0003470400000000, 0.0002108300000000 ] - [ 0.0006506700000000, -0.0001401900000000, 0.0012641600000000 ] - [ -0.0021522500000000, 0.0000712700000000, -0.0031938500000000 ] - [ 0.0000272700000000, -0.0002408400000000, 0.0015160300000000 ] - [ -0.0002263200000000, -0.0084217400000000, -0.0034959600000000 ] - [ -0.0067135400000000, 0.0129019000000000, -0.0004417600000000 ] - [ 0.0016317700000000, -0.0001388700000000, -0.0004754300000000 ] - [ 0.0004797700000000, -0.0006707400000000, 0.0019237100000000 ] - [ 0.0003013500000000, -0.0008276200000000, 0.0000752900000000 ] - [ 0.0017861700000000, 0.0002541400000000, 0.0009514300000000 ] - [ -0.0163525000000000, -0.0236346100000000, -0.0037924400000000 ] - [ -0.0010079600000000, -0.0010926800000000, -0.0008700700000000 ] - [ 0.0007970700000000, -0.0002441300000000, -0.0012005300000000 ] - [ 0.0086757000000000, 0.0152251600000000, -0.0053338200000000 ] - [ 0.0020477600000000, 0.0007791100000000, -0.0004341700000000 ] - [ -0.0001333700000000, 0.0000509900000000, -0.0006768800000000 ] - [ 0.0006319500000000, -0.0000812600000000, 0.0021789300000000 ] - [ 0.0014627600000000, 0.0006532400000000, -0.0008173600000000 ] - [ -0.0025637500000000, 0.0036288400000000, -0.0001954700000000 ] - [ 0.0001601600000000, -0.0000989500000000, 0.0019400700000000 ] - [ 0.0000183200000000, -0.0001635100000000, -0.0006648800000000 ] - [ -0.0011374900000000, -0.0024818300000000, -0.0038199800000000 ] - [ 0.0015997700000000, -0.0016735600000000, 0.0004777400000000 ] - [ -0.0022002500000000, 0.0028586700000000, 0.0011274700000000 ] - [ 0.0008094200000000, 0.0002391000000000, 0.0002276300000000 ]- atom: 73 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0002202700000000, -0.0004360700000000, -0.0006477700000000 ] - [ 0.0001454300000000, 0.0001274700000000, 0.0003154600000000 ] - [ 0.0000012100000000, 0.0000148600000000, 0.0002101500000000 ] - [ 0.0004182400000000, 0.0003582900000000, -0.0009532700000000 ] - [ 0.0006367300000000, 0.0000600500000000, 0.0001667500000000 ] - [ -0.0045058800000000, -0.0000685500000000, 0.0027952300000000 ] - [ -0.0000597400000000, 0.0017107500000000, -0.0010119700000000 ] - [ 0.0001375700000000, -0.0000645500000000, 0.0000909900000000 ] - [ -0.0105314800000000, -0.0129665400000000, -0.0073346100000000 ] - [ -0.0002166600000000, -0.0004798200000000, -0.0000897300000000 ] - [ 0.0026065400000000, -0.0009143300000000, -0.0016231700000000 ] - [ -0.0002909600000000, 0.0012507900000000, 0.0001545500000000 ] - [ -0.0016763100000000, -0.0000493500000000, 0.0009193600000000 ] - [ -0.0020924700000000, -0.0012900700000000, 0.0007012100000000 ] - [ -0.0001916900000000, -0.0005286700000000, 0.0010787600000000 ] - [ -0.0008007600000000, -0.0003776500000000, 0.0009140500000000 ] - [ -0.0012967700000000, -0.0021028400000000, 0.0002955100000000 ] - [ 0.0016149300000000, 0.0015628800000000, -0.0027013700000000 ] - [ -0.0043929200000000, 0.0013316000000000, -0.0140177400000000 ] - [ -0.0008560500000000, 0.0001133000000000, -0.0006186800000000 ] - [ -0.0007555400000000, -0.0011017600000000, -0.0015297900000000 ] - [ -0.0003828700000000, -0.0000197800000000, 0.0007880700000000 ] - [ 0.0000078300000000, -0.0003035300000000, 0.0014904200000000 ] - [ 0.0011040500000000, -0.0001987600000000, 0.0007839600000000 ] - [ 0.0044369200000000, -0.0016892700000000, -0.0007230300000000 ] - [ -0.0022084100000000, 0.0007560700000000, 0.0002659800000000 ] - [ -0.0022608900000000, -0.0005112600000000, 0.0012647900000000 ] - [ -0.0001487800000000, -0.0002047200000000, -0.0001417700000000 ] - [ -0.0007754900000000, 0.0000512600000000, -0.0001365700000000 ] - [ 0.0032742500000000, -0.0016778400000000, -0.0001574600000000 ] - [ 0.0022097100000000, 0.0010449600000000, -0.0004523200000000 ] - [ -0.0009784700000000, -0.0005606100000000, 0.0006808700000000 ] - [ -0.0013142200000000, -0.0005180100000000, 0.0000117400000000 ] - [ -0.0018341300000000, 0.0014717700000000, -0.0001775800000000 ] - [ 0.0004560900000000, -0.0002004600000000, 0.0002492400000000 ] - [ -0.0001835600000000, -0.0001414300000000, 0.0002916200000000 ] - [ -0.0017627900000000, 0.0008893600000000, 0.0007395900000000 ] - [ 0.0012010100000000, -0.0016095700000000, -0.0015572200000000 ] - [ -0.0007403800000000, 0.0002056200000000, -0.0005030600000000 ] - [ -0.0015153900000000, -0.0001165400000000, 0.0008300100000000 ] - [ -0.0000082400000000, 0.0003784500000000, 0.0007822100000000 ] - [ 0.0000809700000000, -0.0001927500000000, -0.0011562700000000 ] - [ -0.0004148100000000, 0.0002287800000000, -0.0007398800000000 ] - [ -0.0036837900000000, 0.0001000600000000, 0.0014432900000000 ] - [ 0.0001093900000000, 0.0003145500000000, 0.0006963000000000 ] - [ 0.0008281700000000, -0.0003009800000000, -0.0004129100000000 ] - [ -0.0012417500000000, -0.0006280600000000, 0.0004806500000000 ] - [ 0.0008301000000000, 0.0015264100000000, -0.0001398700000000 ] - [ -0.0010405300000000, 0.0003344700000000, 0.0002926400000000 ] - [ 0.0059837400000000, 0.0023162000000000, -0.0028134300000000 ] - [ -0.0005884700000000, 0.0001191500000000, 0.0030168900000000 ] - [ 0.0003264200000000, 0.0002435100000000, 0.0001718100000000 ] - [ -0.0429842100000000, 0.0023875100000000, 0.0314476300000000 ] - [ -0.0005086700000000, -0.0001427200000000, 0.0010673800000000 ] - [ 0.0002855200000000, 0.0000385300000000, -0.0023163200000000 ] - [ -0.0011598600000000, -0.0005729900000000, 0.0012253700000000 ] - [ -0.0005958200000000, 0.0002315100000000, -0.0004551400000000 ] - [ 0.0028330800000000, -0.0067744800000000, -0.0010974900000000 ] - [ -0.0025112300000000, 0.0028797100000000, 0.0043237900000000 ] - [ -0.0005223400000000, -0.0007230100000000, 0.0000876500000000 ] - [ 0.0007187000000000, -0.0026141300000000, 0.0023084200000000 ] - [ -0.0005677000000000, 0.0008771700000000, 0.0000381700000000 ] - [ 0.0002681700000000, 0.0005072700000000, -0.0007922100000000 ] - [ -0.0001851500000000, 0.0009322000000000, 0.0007333600000000 ] - [ -0.0023445300000000, -0.0007803400000000, -0.0011177300000000 ] - [ -0.0094831700000000, -0.0059346600000000, -0.0059028600000000 ] - [ 0.0020278600000000, -0.0008807500000000, 0.0015869900000000 ] - [ 0.0000413100000000, -0.0001740100000000, 0.0004305200000000 ] - [ -0.0001868900000000, 0.0003187300000000, -0.0013896800000000 ] - [ 0.0001502100000000, 0.0000835800000000, 0.0029278600000000 ] - [ 0.0003846100000000, 0.0002137800000000, -0.0001258400000000 ] - [ -0.0004361100000000, 0.0002245800000000, -0.0000473000000000 ] - [ 0.2631718900000000, 0.0371307200000000, -0.0617049500000000 ] - [ -0.0020930700000000, -0.0003471800000000, 0.0001362200000000 ] - [ -0.0004010700000000, 0.0003565100000000, -0.0007264100000000 ] - [ -0.0005523900000000, 0.0001561600000000, 0.0002588200000000 ] - [ -0.0008648300000000, -0.0006017700000000, -0.0003466500000000 ] - [ 0.0042688500000000, 0.0024337900000000, 0.0014298000000000 ] - [ -0.0011729600000000, -0.0000977300000000, 0.0009516600000000 ] - [ -0.0000472000000000, -0.0001902100000000, 0.0000459900000000 ] - [ -0.0000788700000000, 0.0001190800000000, -0.0001030700000000 ] - [ -0.0105257300000000, -0.0019739300000000, 0.0078683300000000 ] - [ 0.0012694500000000, 0.0011902000000000, -0.0006867400000000 ] - [ -0.0008220700000000, -0.0000175200000000, -0.0000098300000000 ] - [ -0.0022592800000000, 0.0016420000000000, 0.0053659500000000 ] - [ -0.0001082400000000, -0.0003889500000000, -0.0012087600000000 ] - [ 0.0001884500000000, 0.0000170300000000, -0.0002900400000000 ] - [ 0.0002892900000000, -0.0009233300000000, 0.0017720200000000 ] - [ -0.0018209700000000, -0.0000737600000000, -0.0007932800000000 ] - [ -0.0074754000000000, 0.0049506400000000, -0.0066183400000000 ] - [ 0.0013216700000000, 0.0000194900000000, 0.0009472600000000 ] - [ -0.0002891400000000, -0.0009530900000000, -0.0000495800000000 ] - [ -0.0020299000000000, 0.0033739100000000, -0.0000155400000000 ] - [ -0.0014496000000000, 0.0009384200000000, -0.0016186900000000 ] - [ 0.0005294100000000, 0.0008391600000000, 0.0001439300000000 ] - [ -0.0000687300000000, 0.0008296200000000, 0.0006107700000000 ] - [ -0.0006391200000000, -0.0002379000000000, 0.0000139700000000 ] - [ 0.0010893700000000, -0.0009083500000000, -0.0015110700000000 ] - [ 0.0003740100000000, -0.0004352700000000, 0.0043550900000000 ] - [ -0.0004850000000000, -0.0000467100000000, -0.0010299100000000 ] - [ 0.0006508300000000, -0.0008825200000000, 0.0008741800000000 ] - [ -0.0007990600000000, 0.0000459600000000, -0.0011891500000000 ] - [ -0.0040833500000000, -0.0016854700000000, 0.0003041600000000 ] - [ -0.0020085900000000, 0.0000395100000000, -0.0016968100000000 ] - [ -0.0027073300000000, -0.0002038800000000, -0.0009345000000000 ] - [ 0.0003946800000000, 0.0006894200000000, -0.0009069700000000 ] - [ 0.0053211000000000, 0.0025853900000000, 0.0010677400000000 ] - [ 0.0040286200000000, -0.0040621300000000, 0.0049628600000000 ] - [ 0.0033520700000000, -0.0015903500000000, 0.0002818200000000 ] - [ 0.0020422600000000, 0.0042365300000000, 0.0046749300000000 ] - [ 0.0009552400000000, 0.0003116500000000, 0.0021264300000000 ] - [ 0.0017460300000000, 0.0005729000000000, -0.0021383400000000 ] - [ -0.1837406500000000, -0.0245834800000000, 0.0506145700000000 ] - [ 0.0020762700000000, 0.0002434300000000, 0.0002033800000000 ] - [ 0.0009869100000000, -0.0003725500000000, -0.0023446600000000 ] - [ -0.0003937000000000, 0.0002147800000000, 0.0011658400000000 ] - [ 0.0014100700000000, 0.0004867300000000, -0.0014716700000000 ] - [ -0.0048571700000000, -0.0012383600000000, 0.0002620700000000 ] - [ 0.0022589600000000, -0.0020060900000000, -0.0046778900000000 ] - [ -0.0000316100000000, 0.0001491600000000, 0.0009181700000000 ] - [ 0.0010590400000000, -0.0002394300000000, 0.0013227900000000 ] - [ -0.0032815500000000, 0.0034297700000000, -0.0013988800000000 ] - [ 0.0010094600000000, 0.0000080500000000, 0.0013231100000000 ] - [ 0.0057756000000000, -0.0041427000000000, -0.0088692900000000 ] - [ -0.0067737400000000, 0.0034554400000000, 0.0030144500000000 ] - [ 0.0023512800000000, -0.0002874300000000, -0.0005224400000000 ] - [ -0.0020981800000000, 0.0008812000000000, -0.0005690200000000 ] - [ 0.0009713800000000, -0.0008920700000000, -0.0009372800000000 ] - [ 0.0034112100000000, 0.0000824200000000, 0.0010452100000000 ] - [ -0.0065441500000000, 0.0008066900000000, 0.0136318900000000 ] - [ -0.0016406800000000, -0.0014164300000000, 0.0072939800000000 ] - [ 0.0033343200000000, 0.0006102300000000, -0.0027013200000000 ] - [ 0.0018153200000000, 0.0076685500000000, -0.0001909500000000 ] - [ 0.0034064900000000, -0.0003872800000000, 0.0000390100000000 ] - [ 0.0005089300000000, 0.0011031600000000, -0.0038864900000000 ] - [ -0.0002131700000000, 0.0004175100000000, 0.0003640000000000 ] - [ 0.0025424700000000, 0.0006348600000000, -0.0017945100000000 ] - [ -0.0044342900000000, 0.0004367900000000, 0.0025231900000000 ] - [ -0.0010056400000000, -0.0007130100000000, 0.0014918000000000 ] - [ 0.0010899600000000, -0.0005508300000000, -0.0023018600000000 ] - [ 0.0083355600000000, -0.0047365100000000, -0.0204656900000000 ] - [ 0.0023596000000000, -0.0006410800000000, 0.0011259000000000 ] - [ -0.0013521200000000, -0.0031720100000000, -0.0041526500000000 ] - [ 0.0007898700000000, 0.0005381200000000, 0.0001167800000000 ]- atom: 73 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0000020100000000, 0.0004553700000000, 0.0006296900000000 ] - [ -0.0003621800000000, -0.0001036500000000, -0.0003318800000000 ] - [ 0.0002192900000000, 0.0000074400000000, -0.0001936300000000 ] - [ -0.0001987100000000, -0.0003319700000000, 0.0009651600000000 ] - [ -0.0004171400000000, -0.0000827500000000, -0.0001482600000000 ] - [ 0.0048504900000000, -0.0001392500000000, -0.0027827200000000 ] - [ -0.0001569900000000, -0.0017381400000000, 0.0009901300000000 ] - [ -0.0003584500000000, 0.0000417500000000, -0.0001072700000000 ] - [ 0.0117706000000000, 0.0129796000000000, 0.0068371900000000 ] - [ 0.0014181200000000, 0.0005227400000000, -0.0002596100000000 ] - [ -0.0014176400000000, 0.0018892300000000, 0.0002882400000000 ] - [ 0.0014963800000000, -0.0002876900000000, -0.0014965500000000 ] - [ 0.0004836700000000, 0.0010300100000000, 0.0004058700000000 ] - [ 0.0008830900000000, 0.0022486600000000, 0.0006438500000000 ] - [ -0.0010171400000000, -0.0004311100000000, 0.0002669800000000 ] - [ -0.0003967000000000, -0.0005902000000000, 0.0004253600000000 ] - [ 0.0024919900000000, 0.0011286200000000, -0.0016396300000000 ] - [ -0.0004144000000000, -0.0025239000000000, 0.0013548400000000 ] - [ 0.0044268200000000, -0.0013674100000000, 0.0129999500000000 ] - [ 0.0007312900000000, -0.0001219900000000, -0.0003810400000000 ] - [ 0.0008838300000000, 0.0010942200000000, 0.0025340300000000 ] - [ 0.0005108500000000, 0.0000154200000000, 0.0002234900000000 ] - [ 0.0001147000000000, 0.0003116100000000, -0.0004882400000000 ] - [ -0.0009710200000000, 0.0002066300000000, 0.0002097500000000 ] - [ -0.0054406200000000, 0.0023272800000000, 0.0011098300000000 ] - [ 0.0011969700000000, -0.0001138300000000, 0.0001228100000000 ] - [ 0.0012439600000000, -0.0001284400000000, -0.0008727800000000 ] - [ -0.0008562800000000, -0.0004356400000000, 0.0005304500000000 ] - [ 0.0017763500000000, -0.0006907000000000, -0.0002525300000000 ] - [ -0.0022488800000000, 0.0010296900000000, -0.0002361800000000 ] - [ -0.0021907600000000, -0.0008627500000000, 0.0005756300000000 ] - [ 0.0010131900000000, 0.0007506000000000, -0.0005655300000000 ] - [ 0.0012991900000000, 0.0006943500000000, -0.0001449500000000 ] - [ 0.0017927100000000, -0.0012742200000000, 0.0000639100000000 ] - [ -0.0004939100000000, 0.0000094600000000, -0.0003628000000000 ] - [ 0.0001586400000000, -0.0000445400000000, -0.0004086600000000 ] - [ 0.0017874300000000, -0.0010729100000000, -0.0006265500000000 ] - [ -0.0011686700000000, 0.0014141200000000, 0.0016679200000000 ] - [ -0.0004577800000000, -0.0001703600000000, 0.0008561700000000 ] - [ 0.0003119600000000, 0.0001649600000000, -0.0004765600000000 ] - [ -0.0001199800000000, -0.0003728500000000, -0.0017888300000000 ] - [ -0.0002076100000000, 0.0001979800000000, 0.0001465600000000 ] - [ 0.0014389000000000, 0.0004161400000000, 0.0003547200000000 ] - [ 0.0047030500000000, 0.0005404300000000, -0.0018330000000000 ] - [ 0.0010917100000000, -0.0003608200000000, -0.0010466200000000 ] - [ 0.0003762900000000, 0.0002553800000000, 0.0000605500000000 ] - [ 0.0000347600000000, 0.0005808400000000, -0.0001299900000000 ] - [ -0.0020238200000000, -0.0015747400000000, 0.0004809100000000 ] - [ 0.0006376300000000, 0.0000868000000000, -0.0017299600000000 ] - [ -0.0063521100000000, -0.0019022500000000, 0.0013275800000000 ] - [ 0.0009867700000000, 0.0002996500000000, -0.0015773000000000 ] - [ 0.0000758300000000, 0.0001779200000000, 0.0012625600000000 ] - [ 0.0423384000000000, -0.0027349500000000, -0.0293247700000000 ] - [ 0.0009061600000000, -0.0002779400000000, 0.0003737700000000 ] - [ -0.0006871700000000, -0.0004619500000000, 0.0008833700000000 ] - [ 0.0007582000000000, 0.0001519300000000, -0.0026575900000000 ] - [ 0.0007970500000000, -0.0009650000000000, -0.0002238800000000 ] - [ -0.0026399700000000, 0.0060237300000000, 0.0004268200000000 ] - [ 0.0023379100000000, -0.0036384100000000, -0.0036669900000000 ] - [ 0.0003240200000000, -0.0000090500000000, 0.0005878300000000 ] - [ -0.0009092900000000, 0.0033163300000000, -0.0016203600000000 ] - [ 0.0003625600000000, -0.0001397500000000, 0.0006387700000000 ] - [ -0.0000666700000000, 0.0002257900000000, 0.0001151300000000 ] - [ 0.0003890100000000, -0.0001887800000000, -0.0014069000000000 ] - [ 0.0014901300000000, 0.0000185300000000, 0.0002477100000000 ] - [ 0.0086310700000000, 0.0051319000000000, 0.0049976100000000 ] - [ -0.0011864400000000, 0.0001187100000000, -0.0007276900000000 ] - [ 0.0008105700000000, -0.0005898400000000, 0.0004330900000000 ] - [ 0.0003402100000000, -0.0000321000000000, 0.0021688100000000 ] - [ 0.0000032700000000, 0.0002064800000000, -0.0021457800000000 ] - [ -0.0012352000000000, 0.0005484700000000, -0.0007356500000000 ] - [ -0.0004061800000000, 0.0005357000000000, -0.0008126600000000 ] - [ -0.2558024200000000, -0.0353148800000000, 0.0627031100000000 ] - [ 0.0014262700000000, 0.0006478400000000, 0.0004210500000000 ] - [ 0.0010707400000000, -0.0000566100000000, 0.0001685900000000 ] - [ 0.0012154800000000, 0.0001455400000000, -0.0008139900000000 ] - [ 0.0015215600000000, 0.0002976400000000, -0.0002121800000000 ] - [ -0.0035566700000000, -0.0027121800000000, -0.0019807800000000 ] - [ 0.0005084100000000, -0.0002062400000000, -0.0003926000000000 ] - [ -0.0006175000000000, -0.0001120900000000, 0.0005110300000000 ] - [ 0.0007212900000000, 0.0000509500000000, 0.0002827700000000 ] - [ 0.0112972300000000, 0.0022080100000000, -0.0077294100000000 ] - [ -0.0019132300000000, -0.0010231500000000, 0.0005148600000000 ] - [ 0.0001839400000000, 0.0001893200000000, -0.0001782300000000 ] - [ 0.0016043200000000, -0.0018029300000000, -0.0055080000000000 ] - [ -0.0005306700000000, 0.0002176900000000, 0.0010237100000000 ] - [ 0.0004480100000000, -0.0001893100000000, 0.0004768500000000 ] - [ 0.0003531500000000, 0.0007479300000000, -0.0015869100000000 ] - [ 0.0016244300000000, -0.0013514900000000, 0.0007609300000000 ] - [ 0.0072400000000000, -0.0063766300000000, 0.0066161900000000 ] - [ -0.0011364800000000, -0.0014484800000000, -0.0009224100000000 ] - [ 0.0004824300000000, -0.0004714500000000, 0.0000741700000000 ] - [ 0.0022000000000000, -0.0019161700000000, 0.0000304800000000 ] - [ 0.0016307600000000, 0.0004890200000000, 0.0016378700000000 ] - [ -0.0007226000000000, 0.0005861900000000, -0.0001679800000000 ] - [ -0.0001169200000000, 0.0005971800000000, -0.0006313600000000 ] - [ 0.0007864600000000, -0.0000511300000000, 0.0007510400000000 ] - [ -0.0009391400000000, 0.0006194200000000, 0.0022779300000000 ] - [ -0.0005256500000000, 0.0001481300000000, -0.0051284000000000 ] - [ 0.0003394700000000, -0.0002425300000000, 0.0002619400000000 ] - [ -0.0007989300000000, 0.0011630900000000, -0.0016580800000000 ] - [ 0.0006458700000000, 0.0002417100000000, 0.0004180600000000 ] - [ 0.0048841600000000, 0.0024207900000000, 0.0005458500000000 ] - [ 0.0028507700000000, 0.0007222100000000, 0.0025553600000000 ] - [ 0.0019957000000000, 0.0006768600000000, 0.0005826100000000 ] - [ -0.0011285700000000, -0.0002152000000000, 0.0005626100000000 ] - [ -0.0045741500000000, -0.0020783000000000, -0.0006897900000000 ] - [ -0.0032771900000000, 0.0045155400000000, -0.0045967300000000 ] - [ -0.0040583100000000, 0.0010958500000000, -0.0006002500000000 ] - [ -0.0027525400000000, -0.0046943500000000, -0.0050164000000000 ] - [ -0.0007377200000000, -0.0001593500000000, -0.0027972000000000 ] - [ -0.0015235600000000, -0.0004334900000000, 0.0014628400000000 ] - [ 0.1761268900000000, 0.0233792900000000, -0.0508169400000000 ] - [ -0.0022963500000000, -0.0000974200000000, 0.0004580200000000 ] - [ -0.0012058500000000, 0.0002324800000000, 0.0030100100000000 ] - [ 0.0001711600000000, -0.0003570400000000, -0.0004945200000000 ] - [ -0.0011777100000000, -0.0006298400000000, 0.0008051500000000 ] - [ 0.0050210700000000, 0.0011013000000000, -0.0008666600000000 ] - [ -0.0015501200000000, 0.0021743200000000, 0.0033236800000000 ] - [ 0.0007325400000000, 0.0000402600000000, -0.0022588800000000 ] - [ -0.0017530700000000, 0.0004263700000000, 0.0000132700000000 ] - [ 0.0025552500000000, -0.0032122700000000, 0.0027460300000000 ] - [ -0.0017296000000000, -0.0001947400000000, 0.0000158400000000 ] - [ -0.0064898600000000, 0.0039570500000000, 0.0102135100000000 ] - [ 0.0074755500000000, -0.0036248400000000, -0.0043520900000000 ] - [ -0.0016446900000000, 0.0000991600000000, -0.0008095700000000 ] - [ 0.0028399700000000, -0.0013576000000000, 0.0009112700000000 ] - [ -0.0002548000000000, 0.0004195900000000, 0.0012789800000000 ] - [ -0.0031662700000000, 0.0008305100000000, -0.0000235200000000 ] - [ 0.0066826000000000, 0.0001401700000000, -0.0124861800000000 ] - [ 0.0011417500000000, 0.0006635400000000, -0.0079172800000000 ] - [ -0.0038355800000000, -0.0013768800000000, 0.0021440100000000 ] - [ -0.0013549900000000, -0.0084601300000000, 0.0007715100000000 ] - [ -0.0029034800000000, -0.0003770800000000, 0.0004989000000000 ] - [ -0.0000015000000000, -0.0003389900000000, 0.0044349600000000 ] - [ 0.0006963200000000, 0.0003466600000000, 0.0001867800000000 ] - [ -0.0030223700000000, 0.0001313600000000, 0.0012487000000000 ] - [ 0.0039315000000000, 0.0003336000000000, -0.0030572100000000 ] - [ 0.0012483900000000, -0.0001994800000000, -0.0004821900000000 ] - [ -0.0008579300000000, -0.0003663200000000, 0.0033058600000000 ] - [ -0.0084947100000000, 0.0037883000000000, 0.0192950300000000 ] - [ -0.0025836800000000, -0.0002753400000000, -0.0021354500000000 ] - [ 0.0011252600000000, 0.0041090200000000, 0.0031344500000000 ] - [ -0.0010352300000000, 0.0003754700000000, -0.0011283500000000 ]- atom: 81 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0000031500000000, 0.0000156200000000, -0.0001171100000000 ] - [ -0.0004654600000000, 0.0002023500000000, 0.0005318500000000 ] - [ 0.0000054200000000, 0.0001003500000000, 0.0008463900000000 ] - [ 0.0001178400000000, 0.0000098600000000, -0.0001347400000000 ] - [ 0.0014361300000000, -0.0017764800000000, -0.0001401600000000 ] - [ -0.0002371400000000, 0.0000416800000000, -0.0000553500000000 ] - [ -0.0004959200000000, -0.0000000800000000, -0.0000761200000000 ] - [ 0.0053663000000000, -0.0024574500000000, -0.0007380600000000 ] - [ 0.0007809100000000, -0.0008858900000000, 0.0006298400000000 ] - [ 0.0026633600000000, 0.0021338000000000, -0.0002323900000000 ] - [ 0.0042770700000000, -0.0019921700000000, -0.0030476600000000 ] - [ 0.0004344500000000, 0.0010816600000000, 0.0001849400000000 ] - [ -0.0018092600000000, -0.0006223000000000, 0.0015686600000000 ] - [ 0.0002061600000000, 0.0010788700000000, 0.0001622700000000 ] - [ 0.0005769500000000, -0.0010977500000000, -0.0004038200000000 ] - [ -0.0015759100000000, 0.0003583400000000, 0.0016252100000000 ] - [ -0.0002191300000000, -0.0008723500000000, -0.0004537700000000 ] - [ 0.0011081100000000, -0.0001789100000000, -0.0009742500000000 ] - [ 0.0024570200000000, -0.0011192700000000, 0.0027203300000000 ] - [ 0.0020941500000000, -0.0005278200000000, 0.0010068500000000 ] - [ 0.0001475600000000, 0.0009577900000000, 0.0018063100000000 ] - [ 0.0006885900000000, 0.0002390200000000, 0.0011304600000000 ] - [ -0.0004947700000000, 0.0006472800000000, -0.0018775300000000 ] - [ -0.0002453100000000, 0.0001528500000000, 0.0002444300000000 ] - [ -0.0000772000000000, 0.0002889500000000, 0.0004205400000000 ] - [ 0.0010741500000000, -0.0009166600000000, -0.0000375200000000 ] - [ -0.0000928100000000, -0.0001786400000000, 0.0001718700000000 ] - [ -0.0015182100000000, -0.0005376200000000, -0.0004761400000000 ] - [ 0.0009452800000000, -0.0003709500000000, -0.0007194200000000 ] - [ 0.0005368100000000, -0.0003578700000000, -0.0000652700000000 ] - [ 0.0032476300000000, 0.0024633600000000, -0.0016263900000000 ] - [ 0.0003598000000000, -0.0003653000000000, 0.0011337800000000 ] - [ -0.0013520700000000, 0.0005710800000000, 0.0009402100000000 ] - [ 0.0009662400000000, -0.0003273700000000, -0.0004719300000000 ] - [ 0.0015730800000000, 0.0003904400000000, -0.0012973100000000 ] - [ -0.0010577900000000, -0.0004922800000000, 0.0003577000000000 ] - [ -0.0008145600000000, 0.0000410100000000, 0.0002145900000000 ] - [ 0.0005544200000000, -0.0003019400000000, -0.0002563400000000 ] - [ 0.0004016800000000, 0.0048549100000000, -0.0006662000000000 ] - [ -0.0000218400000000, -0.0004218500000000, 0.0003039900000000 ] - [ -0.0003452800000000, -0.0003404100000000, -0.0013473400000000 ] - [ -0.0003528500000000, -0.0001721400000000, -0.0008703100000000 ] - [ 0.0322835100000000, -0.0162589400000000, -0.0237195900000000 ] - [ 0.0017554900000000, 0.0006329200000000, -0.0001485500000000 ] - [ 0.0008314500000000, -0.0002427600000000, -0.0004276900000000 ] - [ 0.0002862400000000, 0.0000641900000000, -0.0002819100000000 ] - [ -0.0007775800000000, -0.0010424400000000, -0.0008126100000000 ] - [ -0.0005804300000000, 0.0000918500000000, 0.0002048500000000 ] - [ 0.0036103700000000, -0.0016398200000000, -0.0095203200000000 ] - [ -0.0000923500000000, 0.0002691600000000, -0.0006363700000000 ] - [ 0.0006508300000000, 0.0002890400000000, 0.0000227600000000 ] - [ -0.0005452200000000, -0.0001143000000000, 0.0011850300000000 ] - [ -0.0001191400000000, -0.0001228400000000, 0.0026237000000000 ] - [ 0.0033890700000000, -0.0006673500000000, -0.0025092700000000 ] - [ -0.0001630300000000, 0.0007100100000000, -0.0020924300000000 ] - [ -0.0000571800000000, -0.0003174100000000, -0.0004001200000000 ] - [ 0.0033720900000000, -0.0108428500000000, -0.0038492700000000 ] - [ 0.0004392500000000, -0.0005197900000000, -0.0001765400000000 ] - [ 0.0004406300000000, 0.0000403800000000, 0.0003715300000000 ] - [ -0.0097380000000000, 0.0017490200000000, 0.0014516300000000 ] - [ -0.0002018600000000, 0.0003747200000000, 0.0005834700000000 ] - [ 0.0001276200000000, 0.0006075200000000, -0.0004059200000000 ] - [ 0.0001845900000000, 0.0008116600000000, -0.0014821600000000 ] - [ 0.0001462200000000, 0.0004045800000000, -0.0001592100000000 ] - [ -0.0052951400000000, -0.0015996700000000, 0.0000276300000000 ] - [ 0.0003679900000000, -0.0000499200000000, -0.0001940500000000 ] - [ 0.0018573500000000, -0.0012978800000000, 0.0006235400000000 ] - [ -0.0002462600000000, -0.0002515600000000, 0.0006077400000000 ] - [ -0.0005765600000000, 0.0015111700000000, -0.0040884500000000 ] - [ 0.0004907700000000, 0.0000772400000000, 0.0012366400000000 ] - [ -0.0001596900000000, 0.0006943100000000, -0.0010514900000000 ] - [ -0.0001761900000000, 0.0000422200000000, 0.0001698400000000 ] - [ 0.0012418200000000, 0.0002946300000000, 0.0008922700000000 ] - [ 0.0111886000000000, 0.0058354400000000, -0.0048630200000000 ] - [ -0.0024017300000000, 0.0014601800000000, -0.0002467100000000 ] - [ 0.0014569000000000, -0.0002007300000000, -0.0001054700000000 ] - [ 0.0018833000000000, -0.0000785100000000, -0.0015402700000000 ] - [ 0.0001409800000000, -0.0000763200000000, -0.0001566300000000 ] - [ -0.0001629000000000, -0.0002945300000000, 0.0002367000000000 ] - [ -0.0008879300000000, -0.0000622200000000, -0.0001422300000000 ] - [ -0.1026389000000000, 0.0737314700000000, 0.0874461300000000 ] - [ 0.0007943000000000, -0.0000073200000000, -0.0000635500000000 ] - [ -0.0000288400000000, 0.0000718100000000, -0.0000246500000000 ] - [ -0.0010590000000000, -0.0015227800000000, 0.0016683400000000 ] - [ -0.0004137700000000, 0.0000653100000000, 0.0003732100000000 ] - [ 0.0002165100000000, -0.0006897200000000, -0.0025754900000000 ] - [ 0.0008429500000000, 0.0003813400000000, -0.0014589400000000 ] - [ 0.0001929400000000, -0.0002633400000000, 0.0005955000000000 ] - [ -0.0040622100000000, 0.0011773300000000, 0.0008067100000000 ] - [ 0.0006036400000000, -0.0010749900000000, 0.0002193000000000 ] - [ 0.0011543400000000, -0.0000512100000000, 0.0000871300000000 ] - [ -0.0004315000000000, -0.0021557400000000, 0.0008610100000000 ] - [ -0.0006203100000000, 0.0009133400000000, -0.0001523000000000 ] - [ 0.0006261100000000, 0.0004438100000000, -0.0001973400000000 ] - [ 0.0000909800000000, 0.0000020700000000, -0.0009540600000000 ] - [ -0.0001522000000000, 0.0008057600000000, 0.0002971500000000 ] - [ -0.0004011700000000, -0.0018218400000000, -0.0018269300000000 ] - [ 0.0003819100000000, -0.0000737700000000, 0.0007894400000000 ] - [ 0.0003773700000000, -0.0001672100000000, -0.0003533800000000 ] - [ -0.0107856400000000, 0.0001526600000000, 0.0010797700000000 ] - [ 0.0000335500000000, 0.0001449100000000, 0.0003857100000000 ] - [ -0.0000275500000000, 0.0001484300000000, -0.0014128200000000 ] - [ -0.0005190400000000, 0.0002672100000000, 0.0003168100000000 ] - [ 0.0012095000000000, 0.0006193200000000, 0.0003717800000000 ] - [ -0.0030095100000000, -0.0008842000000000, 0.0018863900000000 ] - [ 0.0000541000000000, 0.0008961200000000, -0.0027717400000000 ] - [ 0.0031677500000000, -0.0003348100000000, -0.0004997000000000 ] - [ -0.0010894700000000, 0.0003122300000000, 0.0004478800000000 ] - [ 0.0020062400000000, 0.0010255700000000, -0.0000213000000000 ] - [ -0.0016454800000000, -0.0005105500000000, 0.0002732100000000 ] - [ 0.0027352000000000, -0.0051917700000000, 0.0003195500000000 ] - [ -0.0012514700000000, 0.0003214100000000, -0.0009596100000000 ] - [ -0.0025780600000000, 0.0018333400000000, -0.0032280800000000 ] - [ -0.0097371100000000, -0.0013548200000000, 0.0005557200000000 ] - [ -0.0003052700000000, 0.0002742500000000, 0.0012444300000000 ] - [ 0.0009033800000000, 0.0002309900000000, 0.0007591500000000 ] - [ -0.0005006400000000, 0.0007310600000000, 0.0054832500000000 ] - [ 0.0002393700000000, -0.0002991800000000, -0.0004442300000000 ] - [ -0.0000089300000000, 0.0000012500000000, -0.0013750100000000 ] - [ 0.0016742400000000, -0.0001566000000000, 0.0040514100000000 ] - [ -0.0010301400000000, -0.0004868900000000, 0.0024754800000000 ] - [ -0.0003136800000000, 0.0002241900000000, -0.0001283300000000 ] - [ 0.0718357700000000, -0.0443766300000000, -0.0434477000000000 ] - [ -0.0019052700000000, -0.0002120300000000, 0.0007025600000000 ] - [ -0.0004729100000000, -0.0000919800000000, -0.0011027900000000 ] - [ -0.0014965100000000, 0.0060387600000000, -0.0001207600000000 ] - [ -0.0027886000000000, 0.0022014600000000, 0.0031032700000000 ] - [ 0.0013388500000000, -0.0007183300000000, -0.0012864100000000 ] - [ 0.0146861500000000, -0.0010445600000000, -0.0089319800000000 ] - [ -0.0015929700000000, 0.0002514400000000, -0.0000108300000000 ] - [ -0.0158652200000000, -0.0101885500000000, 0.0032013300000000 ] - [ -0.0026214400000000, -0.0004967200000000, -0.0024063000000000 ] - [ 0.0008106400000000, 0.0004496200000000, -0.0024085000000000 ] - [ -0.0023327500000000, -0.0010511500000000, 0.0011477900000000 ] - [ -0.0012025900000000, 0.0001084400000000, 0.0022754200000000 ] - [ 0.0026172500000000, -0.0002162500000000, 0.0010905900000000 ] - [ 0.0011134800000000, 0.0014374300000000, 0.0016185700000000 ] - [ -0.0007486300000000, 0.0003229800000000, -0.0000718700000000 ] - [ -0.0003004200000000, -0.0005903500000000, 0.0030708200000000 ] - [ -0.0001377600000000, -0.0002155400000000, -0.0002144300000000 ] - [ 0.0010459000000000, -0.0008295800000000, -0.0017903500000000 ] - [ -0.0027394500000000, -0.0005077500000000, 0.0029049700000000 ] - [ -0.0022430000000000, 0.0004237000000000, -0.0007371600000000 ] - [ 0.0034944000000000, 0.0019810000000000, -0.0020753100000000 ]- atom: 81 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0002232900000000, 0.0000080600000000, 0.0001010100000000 ] - [ 0.0002464400000000, -0.0001790700000000, -0.0005484200000000 ] - [ 0.0002171900000000, -0.0000767100000000, -0.0008294200000000 ] - [ 0.0000998900000000, 0.0000133300000000, 0.0001505000000000 ] - [ -0.0012338000000000, 0.0017577200000000, 0.0001682000000000 ] - [ 0.0004556200000000, -0.0000647100000000, 0.0000707000000000 ] - [ 0.0002755200000000, -0.0000226300000000, 0.0000589700000000 ] - [ -0.0055545400000000, 0.0024106700000000, 0.0007402100000000 ] - [ 0.0004220000000000, 0.0009266200000000, -0.0009773100000000 ] - [ -0.0014725300000000, -0.0021031200000000, -0.0001213700000000 ] - [ -0.0030586600000000, 0.0029442900000000, 0.0016945600000000 ] - [ 0.0007748700000000, -0.0001253600000000, -0.0015356500000000 ] - [ 0.0006046100000000, 0.0015848900000000, -0.0002253700000000 ] - [ -0.0014120600000000, -0.0001162400000000, 0.0011820400000000 ] - [ -0.0017763600000000, 0.0001320100000000, 0.0017427600000000 ] - [ 0.0003889600000000, -0.0013365900000000, -0.0002890000000000 ] - [ 0.0014224600000000, -0.0000849600000000, -0.0008934400000000 ] - [ 0.0000897600000000, -0.0007888300000000, -0.0003643400000000 ] - [ -0.0025759700000000, 0.0011070000000000, -0.0037112800000000 ] - [ -0.0022323600000000, 0.0005240700000000, -0.0020216300000000 ] - [ -0.0000251200000000, -0.0009601900000000, -0.0007976800000000 ] - [ -0.0005636300000000, -0.0002466300000000, -0.0001273300000000 ] - [ 0.0006207900000000, -0.0006394700000000, 0.0028784100000000 ] - [ 0.0003800200000000, -0.0001546600000000, 0.0007814700000000 ] - [ -0.0009315400000000, 0.0003527200000000, -0.0000300400000000 ] - [ -0.0020827700000000, 0.0015630400000000, 0.0004250900000000 ] - [ -0.0009119000000000, -0.0004619000000000, 0.0002160800000000 ] - [ 0.0004879100000000, -0.0001112700000000, 0.0008710300000000 ] - [ 0.0000635400000000, -0.0002717400000000, 0.0003307200000000 ] - [ 0.0004713000000000, -0.0002831400000000, -0.0003227700000000 ] - [ -0.0032054800000000, -0.0022648400000000, 0.0017354600000000 ] - [ -0.0003254700000000, 0.0005608300000000, -0.0010281900000000 ] - [ 0.0013157700000000, -0.0003795600000000, -0.0010553100000000 ] - [ -0.0010011400000000, 0.0005171000000000, 0.0003582500000000 ] - [ -0.0015996100000000, -0.0005782300000000, 0.0011774300000000 ] - [ 0.0010429200000000, 0.0003095700000000, -0.0004743700000000 ] - [ 0.0008475100000000, -0.0002341600000000, -0.0001016800000000 ] - [ -0.0005278200000000, 0.0001150400000000, 0.0003744400000000 ] - [ -0.0015964600000000, -0.0047742200000000, 0.0010088600000000 ] - [ -0.0011825400000000, 0.0004683200000000, 0.0000457800000000 ] - [ 0.0002194000000000, 0.0003470500000000, 0.0003403100000000 ] - [ 0.0002268600000000, 0.0001839700000000, -0.0001275700000000 ] - [ -0.0306844200000000, 0.0164969400000000, 0.0229210100000000 ] - [ -0.0007487600000000, 0.0000085000000000, -0.0002411100000000 ] - [ 0.0003734900000000, 0.0001958000000000, 0.0000757000000000 ] - [ 0.0009106800000000, -0.0000948600000000, -0.0000563300000000 ] - [ -0.0004245300000000, 0.0009987200000000, 0.0011640500000000 ] - [ -0.0006235200000000, -0.0001405800000000, 0.0001483900000000 ] - [ -0.0040290500000000, 0.0020645500000000, 0.0080664800000000 ] - [ -0.0003103600000000, 0.0001522300000000, -0.0007907900000000 ] - [ -0.0002487200000000, 0.0001324600000000, 0.0014113600000000 ] - [ 0.0009412200000000, 0.0005416800000000, 0.0002622600000000 ] - [ 0.0005181600000000, -0.0002982800000000, -0.0011792000000000 ] - [ -0.0030108500000000, 0.0002512000000000, 0.0039658500000000 ] - [ -0.0002431100000000, -0.0011272500000000, 0.0006544400000000 ] - [ -0.0003416200000000, -0.0001027100000000, -0.0010404300000000 ] - [ -0.0031857600000000, 0.0101945000000000, 0.0032066900000000 ] - [ -0.0002374700000000, -0.0002149300000000, -0.0004989400000000 ] - [ -0.0006433100000000, -0.0007748900000000, 0.0003064100000000 ] - [ 0.0095338100000000, -0.0023570300000000, -0.0007083600000000 ] - [ -0.0000001800000000, 0.0003600600000000, 0.0000948300000000 ] - [ -0.0003311500000000, 0.0001265000000000, 0.0010850200000000 ] - [ 0.0000123700000000, -0.0000770600000000, 0.0008023200000000 ] - [ 0.0000577600000000, 0.0003325800000000, -0.0005190300000000 ] - [ 0.0044438500000000, 0.0008322700000000, -0.0009043100000000 ] - [ -0.0012173100000000, -0.0007119400000000, -0.0006668400000000 ] - [ -0.0010063900000000, 0.0005319900000000, 0.0002388500000000 ] - [ 0.0011069600000000, -0.0005127300000000, 0.0002580100000000 ] - [ 0.0007157600000000, -0.0012159700000000, 0.0048366600000000 ] - [ -0.0003405200000000, 0.0002112000000000, -0.0004705800000000 ] - [ -0.0006908000000000, 0.0000709300000000, 0.0001859800000000 ] - [ -0.0006647800000000, 0.0007185200000000, -0.0010322700000000 ] - [ -0.0019016500000000, 0.0000077400000000, -0.0003316800000000 ] - [ -0.0119954500000000, -0.0056130600000000, 0.0055195900000000 ] - [ 0.0030492900000000, -0.0011491100000000, -0.0003114600000000 ] - [ -0.0007921200000000, 0.0005032100000000, -0.0004523400000000 ] - [ -0.0012207900000000, -0.0002235200000000, 0.0009855600000000 ] - [ 0.0005268300000000, -0.0002261900000000, -0.0003988700000000 ] - [ -0.0004973700000000, -0.0000089100000000, 0.0003204700000000 ] - [ 0.0002110000000000, -0.0002350000000000, 0.0006998500000000 ] - [ 0.1033935500000000, -0.0727320600000000, -0.0867652900000000 ] - [ -0.0001567500000000, 0.0001796200000000, 0.0002515500000000 ] - [ -0.0006102900000000, 0.0000991200000000, -0.0001589300000000 ] - [ 0.0004291400000000, 0.0017096100000000, -0.0018725400000000 ] - [ -0.0002232000000000, -0.0002381500000000, -0.0005611900000000 ] - [ -0.0008612100000000, 0.0005192200000000, 0.0023916700000000 ] - [ -0.0002059000000000, -0.0005535100000000, 0.0016460600000000 ] - [ 0.0004462300000000, 0.0000921200000000, -0.0004094100000000 ] - [ 0.0038689700000000, -0.0025938400000000, -0.0008620000000000 ] - [ -0.0007953400000000, -0.0003511000000000, -0.0002424700000000 ] - [ -0.0009621200000000, -0.0013718000000000, -0.0000628900000000 ] - [ 0.0006342300000000, 0.0007486900000000, -0.0008364700000000 ] - [ 0.0008081700000000, 0.0005122800000000, 0.0001755800000000 ] - [ -0.0004398100000000, 0.0009845000000000, 0.0002214400000000 ] - [ -0.0002836500000000, 0.0014189800000000, 0.0009258200000000 ] - [ -0.0000309500000000, 0.0006227000000000, -0.0003204000000000 ] - [ 0.0005538000000000, 0.0015422400000000, 0.0026033800000000 ] - [ -0.0002308300000000, -0.0002142300000000, -0.0000156000000000 ] - [ -0.0005272900000000, -0.0001213100000000, -0.0004156100000000 ] - [ 0.0106287300000000, -0.0003740500000000, -0.0016771900000000 ] - [ -0.0001834600000000, 0.0001438600000000, -0.0011521900000000 ] - [ -0.0001231600000000, 0.0001392600000000, 0.0006458400000000 ] - [ 0.0013621800000000, 0.0004941200000000, 0.0005429500000000 ] - [ -0.0003672800000000, 0.0001408900000000, 0.0004905600000000 ] - [ 0.0022762700000000, 0.0013499900000000, -0.0022225300000000 ] - [ -0.0008011100000000, -0.0004280600000000, 0.0024453900000000 ] - [ -0.0024251100000000, 0.0007956900000000, 0.0008520300000000 ] - [ 0.0018214500000000, 0.0001625000000000, -0.0001082700000000 ] - [ -0.0027240500000000, -0.0014869100000000, -0.0003187500000000 ] - [ 0.0009255100000000, 0.0000369300000000, -0.0006206000000000 ] - [ -0.0024852300000000, 0.0053117900000000, -0.0009868500000000 ] - [ 0.0014724800000000, -0.0001793800000000, 0.0002965900000000 ] - [ 0.0023473900000000, -0.0016822800000000, 0.0038805800000000 ] - [ 0.0095692200000000, 0.0015024800000000, 0.0001189500000000 ] - [ 0.0000781400000000, -0.0004158500000000, -0.0005739000000000 ] - [ -0.0011115000000000, -0.0003915000000000, -0.0001045500000000 ] - [ 0.0007154200000000, -0.0008710000000000, -0.0061524200000000 ] - [ -0.0000242100000000, 0.0001637500000000, -0.0002362700000000 ] - [ 0.0007067600000000, 0.0001853000000000, 0.0000429700000000 ] - [ -0.0009425500000000, 0.0003410000000000, -0.0053768200000000 ] - [ 0.0003264100000000, 0.0006757500000000, -0.0011424300000000 ] - [ -0.0003916900000000, -0.0000375700000000, 0.0014613800000000 ] - [ -0.0731675300000000, 0.0436064400000000, 0.0442495300000000 ] - [ 0.0012020900000000, 0.0000238700000000, 0.0006318500000000 ] - [ 0.0011744000000000, -0.0000953500000000, -0.0002379800000000 ] - [ 0.0021961300000000, -0.0062511800000000, -0.0012050100000000 ] - [ 0.0035052900000000, -0.0026617100000000, -0.0027471800000000 ] - [ -0.0006383600000000, 0.0002510500000000, 0.0016384600000000 ] - [ -0.0142809800000000, 0.0019665800000000, 0.0101129400000000 ] - [ 0.0018316900000000, 0.0006612500000000, 0.0010144400000000 ] - [ 0.0153295900000000, 0.0093720200000000, -0.0037378800000000 ] - [ 0.0021322200000000, -0.0002661300000000, 0.0018743900000000 ] - [ -0.0003137400000000, -0.0012124500000000, 0.0029477400000000 ] - [ 0.0028313000000000, 0.0002936300000000, -0.0006037200000000 ] - [ 0.0016882500000000, 0.0006553600000000, -0.0017242700000000 ] - [ -0.0021612900000000, 0.0010099400000000, -0.0006313700000000 ] - [ -0.0016149800000000, -0.0006752100000000, -0.0021650400000000 ] - [ 0.0002583700000000, 0.0004414800000000, -0.0004857500000000 ] - [ 0.0005493500000000, -0.0003253500000000, -0.0020551200000000 ] - [ 0.0003662000000000, -0.0007021000000000, 0.0012266700000000 ] - [ -0.0012837800000000, -0.0000863600000000, 0.0007747100000000 ] - [ 0.0025112500000000, -0.0004092500000000, -0.0039291000000000 ] - [ 0.0019999300000000, 0.0004912000000000, -0.0002761100000000 ] - [ -0.0037642500000000, -0.0011331400000000, 0.0010533100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004182400000000, -0.0000715700000000, -0.0002244500000000 ] - [ 0.0002656200000000, -0.0000946400000000, -0.0003149600000000 ] - [ 0.0004537100000000, -0.0000201400000000, -0.0004463900000000 ] - [ -0.0000892300000000, 0.0000701600000000, -0.0001199300000000 ] - [ -0.0023818200000000, -0.0016397800000000, 0.0037696900000000 ] - [ 0.0001853000000000, -0.0000392700000000, 0.0000044500000000 ] - [ -0.0000153500000000, -0.0000065600000000, -0.0000073400000000 ] - [ -0.0032128300000000, 0.0136757500000000, -0.0011225600000000 ] - [ 0.0006637800000000, 0.0006089000000000, -0.0005295300000000 ] - [ 0.0003693900000000, -0.0000989700000000, -0.0003575200000000 ] - [ -0.0010021500000000, 0.0012978200000000, 0.0001665800000000 ] - [ 0.0017331600000000, -0.0005766600000000, -0.0012340700000000 ] - [ 0.0012704700000000, 0.0026123700000000, 0.0002360700000000 ] - [ -0.0011169200000000, 0.0001506800000000, 0.0009799000000000 ] - [ -0.0010725100000000, -0.0001797900000000, 0.0011618900000000 ] - [ 0.0006135400000000, -0.0019279200000000, -0.0000796700000000 ] - [ 0.0012517100000000, 0.0009475300000000, -0.0014775300000000 ] - [ 0.0003001700000000, -0.0007052600000000, -0.0003250000000000 ] - [ -0.0010298900000000, 0.0001844900000000, -0.0021199300000000 ] - [ -0.0005318600000000, -0.0000317900000000, -0.0009984300000000 ] - [ 0.0001996500000000, 0.0007954100000000, 0.0003184100000000 ] - [ -0.0002744300000000, -0.0001147400000000, 0.0000085200000000 ] - [ 0.0003952600000000, -0.0006122900000000, 0.0024744800000000 ] - [ 0.0009057000000000, -0.0007522400000000, 0.0021256700000000 ] - [ -0.0001711000000000, 0.0003114800000000, 0.0001421200000000 ] - [ -0.0033732800000000, 0.0030049500000000, 0.0001707800000000 ] - [ -0.0003640000000000, -0.0003404600000000, 0.0003430000000000 ] - [ -0.0013883200000000, -0.0010281700000000, 0.0009869400000000 ] - [ -0.0003187300000000, 0.0000185200000000, 0.0001670900000000 ] - [ 0.0008928700000000, -0.0003662200000000, -0.0000913700000000 ] - [ -0.0011851700000000, -0.0011584800000000, 0.0006290300000000 ] - [ -0.0000075800000000, 0.0002042600000000, -0.0007992100000000 ] - [ -0.0000979300000000, 0.0004622500000000, -0.0008039200000000 ] - [ -0.0006210500000000, 0.0004879900000000, 0.0002337100000000 ] - [ -0.0008227800000000, -0.0004049100000000, 0.0005665700000000 ] - [ 0.0011097500000000, 0.0000765200000000, 0.0001559900000000 ] - [ -0.0000184500000000, 0.0014576600000000, 0.0012128100000000 ] - [ -0.0003805500000000, 0.0000948300000000, 0.0003786800000000 ] - [ 0.0034470100000000, -0.0003432400000000, -0.0017062000000000 ] - [ -0.0006875800000000, -0.0000581400000000, 0.0000617200000000 ] - [ 0.0003464800000000, 0.0004764800000000, 0.0004278600000000 ] - [ 0.0002757700000000, 0.0005616500000000, 0.0008423300000000 ] - [ -0.0185045700000000, -0.0025527100000000, 0.0113419900000000 ] - [ 0.0004024100000000, 0.0002638700000000, -0.0002050600000000 ] - [ 0.0006365700000000, 0.0000395700000000, 0.0000271400000000 ] - [ 0.0004550600000000, 0.0005098500000000, 0.0007265300000000 ] - [ -0.0006652300000000, 0.0009152800000000, 0.0011797700000000 ] - [ -0.0004491700000000, -0.0001799300000000, 0.0003632500000000 ] - [ -0.0043414800000000, 0.0020959100000000, 0.0075322900000000 ] - [ -0.0001979100000000, 0.0001858000000000, -0.0002401600000000 ] - [ 0.0000694800000000, 0.0001721900000000, 0.0012000100000000 ] - [ -0.0002927900000000, 0.0010480500000000, 0.0029302200000000 ] - [ 0.0005031200000000, -0.0003436500000000, -0.0000283500000000 ] - [ 0.0000057800000000, -0.0002588100000000, 0.0007849300000000 ] - [ 0.0001177200000000, 0.0004287200000000, -0.0017830400000000 ] - [ -0.0000958200000000, -0.0001247100000000, -0.0009725800000000 ] - [ -0.0091846100000000, 0.0155220700000000, 0.0070458100000000 ] - [ 0.0001047100000000, -0.0004055300000000, -0.0003229100000000 ] - [ -0.0002174800000000, -0.0004501000000000, 0.0003697900000000 ] - [ 0.0022899500000000, 0.0466191600000000, 0.0199538100000000 ] - [ 0.0001315400000000, 0.0001467200000000, 0.0004972100000000 ] - [ -0.0004571300000000, 0.0005122000000000, 0.0006783600000000 ] - [ -0.0003355700000000, -0.0002091400000000, 0.0001097400000000 ] - [ 0.0002786400000000, 0.0005598400000000, -0.0001544000000000 ] - [ 0.0044348500000000, 0.0027173500000000, 0.0056934000000000 ] - [ -0.0007336700000000, -0.0005025800000000, -0.0004544800000000 ] - [ -0.0001782100000000, -0.0000034300000000, 0.0003516700000000 ] - [ 0.0029395200000000, -0.0005847700000000, 0.0018099400000000 ] - [ -0.0001190800000000, -0.0008536800000000, 0.0017750900000000 ] - [ 0.0001888800000000, 0.0000337600000000, 0.0004582800000000 ] - [ -0.0006782100000000, 0.0003736600000000, -0.0003047000000000 ] - [ -0.0003121600000000, 0.0004499900000000, -0.0007766000000000 ] - [ -0.0006539100000000, 0.0002037000000000, 0.0000957600000000 ] - [ 0.0003206400000000, -0.0029360300000000, -0.0018430500000000 ] - [ 0.0001853200000000, 0.0054360400000000, -0.0017480500000000 ] - [ 0.0000543600000000, 0.0002040000000000, -0.0003464500000000 ] - [ -0.0014835100000000, -0.0006190300000000, 0.0005427100000000 ] - [ 0.0011722900000000, -0.0001115800000000, -0.0000610300000000 ] - [ 0.0001005800000000, -0.0001747100000000, 0.0004567400000000 ] - [ -0.0012975200000000, 0.0003679900000000, 0.0006171800000000 ] - [ 0.0722331200000000, -0.2279173900000000, -0.1404661300000000 ] - [ 0.0002256300000000, 0.0001128700000000, 0.0002107100000000 ] - [ -0.0003058500000000, 0.0001155900000000, -0.0000937500000000 ] - [ 0.0012936800000000, 0.0053266600000000, -0.0043316100000000 ] - [ -0.0001681200000000, -0.0001799300000000, 0.0000616900000000 ] - [ -0.0009241800000000, 0.0001686600000000, 0.0010932100000000 ] - [ -0.0001471900000000, -0.0002550700000000, 0.0008499600000000 ] - [ 0.0004972400000000, -0.0000032300000000, 0.0002196500000000 ] - [ -0.0000948700000000, -0.0015594600000000, -0.0059129200000000 ] - [ -0.0003324200000000, -0.0006142600000000, -0.0000037500000000 ] - [ -0.0002681200000000, -0.0008947700000000, 0.0000283900000000 ] - [ 0.0005515100000000, 0.0048044300000000, -0.0013436300000000 ] - [ 0.0019399400000000, 0.0000446400000000, 0.0012369500000000 ] - [ -0.0002703500000000, 0.0007897600000000, 0.0001198900000000 ] - [ -0.0003853700000000, 0.0010154700000000, 0.0003115200000000 ] - [ 0.0009301400000000, 0.0012011500000000, 0.0004972500000000 ] - [ 0.0003465900000000, 0.0027883300000000, 0.0025365400000000 ] - [ 0.0001887500000000, -0.0001145200000000, 0.0006570700000000 ] - [ -0.0000892900000000, -0.0001825900000000, -0.0000930200000000 ] - [ -0.0001173700000000, -0.0060608800000000, 0.0123180200000000 ] - [ 0.0001997900000000, 0.0003524900000000, -0.0001713400000000 ] - [ -0.0002971500000000, 0.0002724500000000, -0.0000049600000000 ] - [ 0.0002799600000000, 0.0000159400000000, 0.0000979300000000 ] - [ 0.0000306800000000, 0.0002657500000000, 0.0004778300000000 ] - [ 0.0005722800000000, 0.0004126000000000, -0.0009091600000000 ] - [ -0.0006910200000000, 0.0006129800000000, 0.0021950900000000 ] - [ 0.0012433100000000, -0.0008608900000000, 0.0021120900000000 ] - [ 0.0010527000000000, 0.0002483100000000, -0.0002666300000000 ] - [ -0.0053596200000000, -0.0048021700000000, -0.0038466500000000 ] - [ 0.0004461800000000, -0.0001151000000000, -0.0006206700000000 ] - [ -0.0013602100000000, -0.0033369400000000, 0.0010928800000000 ] - [ 0.0004770100000000, 0.0001463600000000, 0.0001346500000000 ] - [ 0.0004898200000000, -0.0005776900000000, 0.0017635200000000 ] - [ 0.0009984900000000, 0.0003308100000000, 0.0001616300000000 ] - [ -0.0006099000000000, -0.0003630900000000, -0.0004930900000000 ] - [ 0.0008100200000000, -0.0010331800000000, -0.0023054100000000 ] - [ 0.0016508900000000, 0.0001513700000000, -0.0052012200000000 ] - [ -0.0009502500000000, 0.0004775700000000, -0.0012293900000000 ] - [ -0.0000050200000000, 0.0000940800000000, -0.0009244100000000 ] - [ 0.0014087400000000, 0.0005276500000000, -0.0025448200000000 ] - [ 0.0006731500000000, 0.0001231000000000, -0.0002107600000000 ] - [ -0.0009646900000000, 0.0000555000000000, 0.0004030800000000 ] - [ -0.0486120400000000, 0.1562172100000000, 0.1009710300000000 ] - [ -0.0001682900000000, -0.0000595600000000, 0.0004773200000000 ] - [ 0.0000490000000000, -0.0000989300000000, -0.0007545500000000 ] - [ 0.0035398800000000, -0.0129347100000000, 0.0001709100000000 ] - [ 0.0019872400000000, -0.0011978300000000, -0.0010986100000000 ] - [ -0.0027388500000000, 0.0008549700000000, -0.0006507500000000 ] - [ 0.0028125400000000, 0.0121109900000000, -0.0058699400000000 ] - [ 0.0006076700000000, 0.0005214700000000, 0.0003387200000000 ] - [ 0.0063135000000000, 0.0088840700000000, 0.0002797000000000 ] - [ -0.0001696300000000, 0.0006464000000000, 0.0006874800000000 ] - [ -0.0007226500000000, -0.0025114400000000, 0.0012678600000000 ] - [ 0.0021186700000000, -0.0013436200000000, 0.0001695900000000 ] - [ 0.0005868100000000, 0.0006907400000000, -0.0013137800000000 ] - [ -0.0027861100000000, 0.0029294700000000, -0.0053528600000000 ] - [ -0.0006502600000000, -0.0020101900000000, -0.0022449800000000 ] - [ -0.0003453300000000, 0.0003195900000000, -0.0014275100000000 ] - [ 0.0009647100000000, -0.0009444800000000, 0.0003848100000000 ] - [ -0.0006980900000000, -0.0011455400000000, 0.0002146300000000 ] - [ -0.0014968700000000, 0.0007726600000000, -0.0007937800000000 ] - [ 0.0015684200000000, -0.0000141600000000, -0.0013910000000000 ] - [ 0.0005709200000000, 0.0004177700000000, -0.0005545800000000 ] - [ -0.0062208800000000, -0.0191120300000000, -0.0032229500000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002002300000000, 0.0000961800000000, 0.0002089500000000 ] - [ -0.0004864700000000, 0.0001205500000000, 0.0002993000000000 ] - [ -0.0002349500000000, 0.0000413200000000, 0.0004642400000000 ] - [ 0.0003097900000000, -0.0000481700000000, 0.0001385500000000 ] - [ 0.0026129500000000, 0.0015936300000000, -0.0037812500000000 ] - [ 0.0000334000000000, 0.0000156400000000, 0.0000123700000000 ] - [ -0.0002040100000000, -0.0000157000000000, -0.0000098800000000 ] - [ 0.0027261000000000, -0.0124664500000000, 0.0006512700000000 ] - [ 0.0005402400000000, -0.0005613000000000, 0.0001797100000000 ] - [ 0.0008458100000000, 0.0001624800000000, 0.0000095800000000 ] - [ 0.0022042100000000, -0.0003352200000000, -0.0015090100000000 ] - [ -0.0005385200000000, 0.0015526300000000, -0.0001051100000000 ] - [ -0.0024784100000000, -0.0016558100000000, 0.0011116000000000 ] - [ -0.0000863700000000, 0.0008124000000000, 0.0003636800000000 ] - [ -0.0001268400000000, -0.0007878600000000, 0.0001765000000000 ] - [ -0.0018079000000000, 0.0009425000000000, 0.0014081600000000 ] - [ -0.0000490700000000, -0.0019009200000000, 0.0001286200000000 ] - [ 0.0009035300000000, -0.0002568200000000, -0.0010188700000000 ] - [ 0.0009037500000000, -0.0001937700000000, 0.0011199900000000 ] - [ 0.0004188900000000, 0.0000197500000000, 0.0000063400000000 ] - [ -0.0000573300000000, -0.0007959000000000, 0.0007021800000000 ] - [ 0.0003997200000000, 0.0001088200000000, 0.0009991500000000 ] - [ -0.0002743600000000, 0.0006223900000000, -0.0014908400000000 ] - [ -0.0007754200000000, 0.0007557200000000, -0.0011140600000000 ] - [ -0.0008354400000000, 0.0003293300000000, 0.0002477600000000 ] - [ 0.0023428600000000, -0.0023568700000000, 0.0002246900000000 ] - [ -0.0006464400000000, -0.0003016800000000, 0.0000447700000000 ] - [ 0.0003775600000000, 0.0003829400000000, -0.0005973700000000 ] - [ 0.0013277000000000, -0.0006585900000000, -0.0005560000000000 ] - [ 0.0001134900000000, -0.0002737900000000, -0.0002985700000000 ] - [ 0.0012211400000000, 0.0013477800000000, -0.0005162200000000 ] - [ 0.0000247200000000, -0.0000285900000000, 0.0009173400000000 ] - [ 0.0000548900000000, -0.0002605200000000, 0.0006939500000000 ] - [ 0.0005895200000000, -0.0002965300000000, -0.0003484000000000 ] - [ 0.0007942000000000, 0.0002185500000000, -0.0006839600000000 ] - [ -0.0011297900000000, -0.0002523400000000, -0.0002780400000000 ] - [ 0.0000495500000000, -0.0016531000000000, -0.0011016200000000 ] - [ 0.0004135300000000, -0.0002858600000000, -0.0002644000000000 ] - [ -0.0046147100000000, 0.0003768000000000, 0.0020511000000000 ] - [ -0.0005172000000000, 0.0001034200000000, 0.0002902400000000 ] - [ -0.0004741100000000, -0.0004702700000000, -0.0014362300000000 ] - [ -0.0004042300000000, -0.0005548500000000, -0.0018625200000000 ] - [ 0.0196375300000000, 0.0032852000000000, -0.0118141300000000 ] - [ 0.0006030200000000, 0.0003768600000000, -0.0001833700000000 ] - [ 0.0005654400000000, -0.0000832400000000, -0.0003794900000000 ] - [ 0.0007457300000000, -0.0005341000000000, -0.0010743500000000 ] - [ -0.0005393700000000, -0.0009695900000000, -0.0008302400000000 ] - [ -0.0007552000000000, 0.0001313500000000, -0.0000131300000000 ] - [ 0.0039786100000000, -0.0016670000000000, -0.0090682600000000 ] - [ -0.0002026600000000, 0.0002343100000000, -0.0011955100000000 ] - [ 0.0003308200000000, 0.0002495700000000, 0.0002354500000000 ] - [ 0.0007107300000000, -0.0006143500000000, -0.0015424400000000 ] - [ -0.0001044900000000, -0.0000765800000000, 0.0014677300000000 ] - [ 0.0004131300000000, -0.0001630800000000, 0.0006400300000000 ] - [ -0.0005039200000000, -0.0008478200000000, 0.0003309400000000 ] - [ -0.0003071700000000, -0.0002970000000000, -0.0004622200000000 ] - [ 0.0092833400000000, -0.0161664200000000, -0.0076098900000000 ] - [ 0.0000980300000000, -0.0003300900000000, -0.0003538400000000 ] - [ 0.0000147300000000, -0.0002836800000000, 0.0003078700000000 ] - [ -0.0025426200000000, -0.0484839200000000, -0.0197045500000000 ] - [ -0.0003354000000000, 0.0005909500000000, 0.0001785600000000 ] - [ 0.0002550300000000, 0.0002266300000000, -0.0000024200000000 ] - [ 0.0005377900000000, 0.0009396500000000, -0.0007904200000000 ] - [ -0.0000783900000000, 0.0001716900000000, -0.0005253200000000 ] - [ -0.0053034300000000, -0.0035088700000000, -0.0065504300000000 ] - [ -0.0001130100000000, -0.0002600500000000, -0.0004068200000000 ] - [ 0.0010264600000000, -0.0007579600000000, 0.0005099900000000 ] - [ -0.0021346700000000, -0.0001528000000000, -0.0009763900000000 ] - [ 0.0002670800000000, 0.0011394700000000, -0.0010119200000000 ] - [ -0.0000402400000000, 0.0002544100000000, 0.0003093800000000 ] - [ -0.0001654400000000, 0.0003870300000000, -0.0005580300000000 ] - [ -0.0005475300000000, 0.0003114700000000, -0.0000950900000000 ] - [ -0.0000097000000000, 0.0000985200000000, 0.0004624900000000 ] - [ -0.0009233700000000, 0.0032799700000000, 0.0023893800000000 ] - [ 0.0005148200000000, -0.0051330900000000, 0.0011848900000000 ] - [ 0.0006083500000000, 0.0000987100000000, -0.0002105900000000 ] - [ 0.0021615300000000, 0.0003151500000000, -0.0011080300000000 ] - [ -0.0005092100000000, -0.0001922500000000, -0.0004972900000000 ] - [ -0.0007694200000000, -0.0001253400000000, 0.0000989200000000 ] - [ 0.0006398100000000, -0.0006671100000000, -0.0000662800000000 ] - [ -0.0746345300000000, 0.2326382900000000, 0.1483224100000000 ] - [ 0.0004121700000000, 0.0000587900000000, -0.0000243600000000 ] - [ -0.0003323900000000, 0.0000561800000000, -0.0000918600000000 ] - [ -0.0019484400000000, -0.0051687600000000, 0.0041785900000000 ] - [ -0.0004703800000000, 0.0000071500000000, -0.0002508600000000 ] - [ 0.0002883200000000, -0.0003419400000000, -0.0012851100000000 ] - [ 0.0007884800000000, 0.0000851900000000, -0.0006696400000000 ] - [ 0.0001413400000000, -0.0001669300000000, -0.0000375100000000 ] - [ -0.0001002500000000, 0.0001631100000000, 0.0058983600000000 ] - [ 0.0001430100000000, -0.0008115200000000, -0.0000196100000000 ] - [ 0.0004589300000000, -0.0005304900000000, -0.0000047600000000 ] - [ -0.0004004500000000, -0.0062755400000000, 0.0013429100000000 ] - [ -0.0017534200000000, 0.0013806500000000, -0.0012160500000000 ] - [ 0.0004630000000000, 0.0006330300000000, -0.0000954400000000 ] - [ 0.0001985900000000, 0.0004140300000000, -0.0003353900000000 ] - [ -0.0011271400000000, 0.0002266200000000, -0.0005285500000000 ] - [ -0.0001903700000000, -0.0030681200000000, -0.0017373700000000 ] - [ -0.0000378100000000, -0.0001739400000000, 0.0001116600000000 ] - [ -0.0000622000000000, -0.0001054300000000, -0.0006785700000000 ] - [ -0.0000206100000000, 0.0059066300000000, -0.0129787800000000 ] - [ -0.0003506300000000, -0.0000633800000000, -0.0005972200000000 ] - [ 0.0001472300000000, 0.0000179500000000, -0.0007626100000000 ] - [ 0.0005581500000000, 0.0007461600000000, 0.0007575300000000 ] - [ 0.0008216600000000, 0.0004996000000000, 0.0003854200000000 ] - [ -0.0013044400000000, 0.0000621500000000, 0.0005685900000000 ] - [ -0.0000011600000000, -0.0001095400000000, -0.0025062100000000 ] - [ -0.0004824600000000, 0.0013018100000000, -0.0017457100000000 ] - [ -0.0003300500000000, 0.0002196300000000, 0.0006089300000000 ] - [ 0.0046511600000000, 0.0043479700000000, 0.0035091000000000 ] - [ -0.0011752600000000, -0.0003527100000000, 0.0002750400000000 ] - [ 0.0015184400000000, 0.0034789700000000, -0.0017531300000000 ] - [ -0.0002515200000000, -0.0000026100000000, -0.0008051600000000 ] - [ -0.0007111400000000, 0.0007189300000000, -0.0011001200000000 ] - [ -0.0012881600000000, -0.0002002600000000, 0.0004957400000000 ] - [ 0.0003920000000000, 0.0002190900000000, 0.0011644100000000 ] - [ -0.0010420000000000, 0.0008646900000000, 0.0030150800000000 ] - [ -0.0014361700000000, -0.0002656600000000, 0.0045733200000000 ] - [ 0.0011721500000000, -0.0006147100000000, 0.0005615100000000 ] - [ 0.0007117700000000, 0.0000963200000000, -0.0004076300000000 ] - [ -0.0007028600000000, -0.0003336100000000, 0.0012149800000000 ] - [ -0.0013788900000000, 0.0000582500000000, 0.0015479500000000 ] - [ 0.0002634900000000, 0.0001281800000000, 0.0009350800000000 ] - [ 0.0511068600000000, -0.1614517000000000, -0.1063141200000000 ] - [ -0.0005331200000000, -0.0001286000000000, 0.0008589400000000 ] - [ 0.0006518400000000, -0.0000875100000000, -0.0005816000000000 ] - [ -0.0028238000000000, 0.0127580300000000, -0.0015374700000000 ] - [ -0.0012647100000000, 0.0007213600000000, 0.0014426500000000 ] - [ 0.0034846400000000, -0.0013634200000000, 0.0010212600000000 ] - [ -0.0025411300000000, -0.0112717300000000, 0.0067453700000000 ] - [ -0.0003710900000000, 0.0003950200000000, 0.0006696800000000 ] - [ -0.0068027500000000, -0.0096183400000000, -0.0008252100000000 ] - [ -0.0003169400000000, -0.0014069000000000, -0.0012483800000000 ] - [ 0.0012141900000000, 0.0017415100000000, -0.0007394100000000 ] - [ -0.0016218600000000, 0.0005654700000000, 0.0003719200000000 ] - [ -0.0000920500000000, 0.0000728600000000, 0.0018735300000000 ] - [ 0.0032430400000000, -0.0021445300000000, 0.0058425400000000 ] - [ 0.0001501300000000, 0.0027756800000000, 0.0016900600000000 ] - [ -0.0001457900000000, 0.0004463500000000, 0.0008885200000000 ] - [ -0.0007399200000000, 0.0000292600000000, 0.0006411800000000 ] - [ 0.0009477200000000, 0.0002311400000000, 0.0008042000000000 ] - [ 0.0012686200000000, -0.0016883600000000, -0.0002114400000000 ] - [ -0.0018209400000000, -0.0009047500000000, 0.0003903900000000 ] - [ -0.0008088600000000, 0.0004959600000000, -0.0004563000000000 ] - [ 0.0060458500000000, 0.0201204700000000, 0.0022758200000000 ]- atom: 81 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0009134700000000, -0.0001423600000000, -0.0004889200000000 ] - [ 0.0010573800000000, -0.0004468000000000, -0.0010808100000000 ] - [ 0.0010439900000000, -0.0001448900000000, -0.0013767200000000 ] - [ -0.0004390500000000, 0.0001240500000000, -0.0003540600000000 ] - [ -0.0009775000000000, 0.0033664100000000, 0.0033829500000000 ] - [ 0.0003947400000000, -0.0000691400000000, 0.0000341500000000 ] - [ 0.0002675500000000, -0.0000312900000000, 0.0000304700000000 ] - [ -0.0039602100000000, -0.0002126300000000, 0.0084606300000000 ] - [ 0.0010021700000000, 0.0016465900000000, -0.0014407900000000 ] - [ -0.0028247900000000, -0.0032232300000000, -0.0004661600000000 ] - [ -0.0043124100000000, 0.0036829300000000, 0.0022511000000000 ] - [ 0.0028245000000000, -0.0009889200000000, -0.0025646300000000 ] - [ 0.0035491800000000, 0.0046587200000000, -0.0012214800000000 ] - [ -0.0021119300000000, -0.0005202100000000, 0.0015242300000000 ] - [ -0.0025565200000000, 0.0008092900000000, 0.0026446300000000 ] - [ 0.0036104300000000, -0.0044355500000000, -0.0005100400000000 ] - [ 0.0017128200000000, -0.0024077600000000, 0.0011044400000000 ] - [ -0.0004522900000000, -0.0012578600000000, 0.0003439800000000 ] - [ -0.0031124600000000, 0.0015076300000000, -0.0056233000000000 ] - [ -0.0038463000000000, 0.0014303100000000, -0.0043865700000000 ] - [ -0.0010720000000000, -0.0016417800000000, -0.0030005300000000 ] - [ -0.0008969900000000, -0.0005770300000000, -0.0009991100000000 ] - [ 0.0013437600000000, -0.0016965000000000, 0.0073624400000000 ] - [ 0.0029337500000000, -0.0022127900000000, 0.0062291600000000 ] - [ 0.0002326800000000, 0.0000407100000000, -0.0001423100000000 ] - [ -0.0041208700000000, 0.0031394100000000, -0.0000146200000000 ] - [ -0.0000670300000000, -0.0002849400000000, 0.0006635000000000 ] - [ -0.0035546300000000, -0.0017334700000000, 0.0029977900000000 ] - [ -0.0019167200000000, 0.0001837600000000, 0.0007835900000000 ] - [ 0.0015964100000000, -0.0005119600000000, 0.0000482400000000 ] - [ -0.0044740100000000, -0.0030154300000000, 0.0021558900000000 ] - [ 0.0023393500000000, 0.0010408600000000, -0.0019447200000000 ] - [ 0.0044920300000000, -0.0025587900000000, -0.0020407600000000 ] - [ -0.0017843400000000, 0.0008522500000000, 0.0006954700000000 ] - [ -0.0026485300000000, -0.0011413400000000, 0.0019640500000000 ] - [ 0.0047416500000000, 0.0023140600000000, -0.0004922100000000 ] - [ 0.0007823500000000, 0.0021719600000000, 0.0018111600000000 ] - [ -0.0012314700000000, 0.0004671100000000, 0.0009935300000000 ] - [ -0.0019586600000000, -0.0051057500000000, -0.0003848800000000 ] - [ -0.0007483900000000, 0.0000213300000000, -0.0002409500000000 ] - [ 0.0010065900000000, 0.0010912900000000, 0.0023334500000000 ] - [ 0.0007771800000000, 0.0014696100000000, 0.0018945800000000 ] - [ -0.0374371200000000, 0.0163775300000000, 0.0152760400000000 ] - [ -0.0000222500000000, 0.0002145600000000, -0.0002923100000000 ] - [ 0.0006457100000000, 0.0001344600000000, 0.0006261300000000 ] - [ -0.0003799000000000, 0.0037654800000000, 0.0025848000000000 ] - [ -0.0007636800000000, 0.0027703900000000, 0.0028527600000000 ] - [ -0.0002173600000000, -0.0007677600000000, 0.0008645000000000 ] - [ -0.0129963700000000, 0.0059540600000000, 0.0267168900000000 ] - [ -0.0002555600000000, 0.0001199900000000, 0.0009136100000000 ] - [ -0.0003248300000000, 0.0000043100000000, 0.0023985500000000 ] - [ 0.0006991300000000, 0.0016991500000000, 0.0007438100000000 ] - [ 0.0014301300000000, -0.0004229000000000, -0.0020987400000000 ] - [ -0.0048989400000000, 0.0002174500000000, 0.0049192300000000 ] - [ -0.0009582700000000, -0.0011264500000000, 0.0005166400000000 ] - [ 0.0001643200000000, -0.0000664300000000, -0.0015110100000000 ] - [ -0.0082680100000000, 0.0205622100000000, 0.0003953100000000 ] - [ -0.0000471800000000, -0.0003932900000000, -0.0003803000000000 ] - [ -0.0005686000000000, -0.0007502700000000, 0.0004111000000000 ] - [ 0.0066900700000000, 0.0127941700000000, -0.0043721200000000 ] - [ 0.0008509000000000, -0.0004709000000000, 0.0007848200000000 ] - [ -0.0011287000000000, 0.0002784500000000, 0.0016330600000000 ] - [ -0.0013925600000000, -0.0010955100000000, 0.0014139100000000 ] - [ 0.0007286400000000, 0.0010347900000000, 0.0001337500000000 ] - [ 0.0132558000000000, 0.0084120700000000, 0.0076623300000000 ] - [ -0.0015762900000000, -0.0007645900000000, -0.0006073400000000 ] - [ -0.0015353500000000, 0.0007126900000000, 0.0002188600000000 ] - [ 0.0025739900000000, -0.0002603500000000, 0.0003041000000000 ] - [ -0.0008306900000000, -0.0013396000000000, 0.0047127300000000 ] - [ 0.0004735900000000, 0.0000921500000000, 0.0004968600000000 ] - [ -0.0015981800000000, 0.0003906000000000, 0.0001530600000000 ] - [ 0.0017793000000000, -0.0007480300000000, -0.0000589000000000 ] - [ -0.0014719400000000, 0.0003223300000000, -0.0004312300000000 ] - [ -0.0196869300000000, -0.0097602800000000, 0.0022485900000000 ] - [ 0.0011781300000000, -0.0005890400000000, -0.0013868100000000 ] - [ -0.0006129200000000, 0.0003271000000000, -0.0005045700000000 ] - [ -0.0052721400000000, -0.0009294700000000, 0.0026225800000000 ] - [ 0.0032095900000000, 0.0002742500000000, 0.0004685600000000 ] - [ 0.0009713000000000, -0.0004376200000000, 0.0008959100000000 ] - [ -0.0018014700000000, 0.0009468900000000, 0.0009621600000000 ] - [ 0.1303407000000000, -0.1564357600000000, -0.2693291300000000 ] - [ -0.0000829400000000, 0.0002357600000000, 0.0004791700000000 ] - [ -0.0004319300000000, 0.0000940200000000, -0.0000988700000000 ] - [ 0.0015808000000000, 0.0045309700000000, -0.0063740900000000 ] - [ 0.0001188700000000, -0.0000439700000000, 0.0005587500000000 ] - [ -0.0026765300000000, 0.0012397600000000, 0.0047602800000000 ] - [ -0.0012628600000000, -0.0009795200000000, 0.0030744400000000 ] - [ 0.0008046100000000, -0.0000895100000000, 0.0005021900000000 ] - [ 0.0083190300000000, -0.0133455800000000, 0.0073426000000000 ] - [ -0.0010185400000000, -0.0003039100000000, -0.0001291600000000 ] - [ -0.0013144700000000, -0.0014591500000000, 0.0000128900000000 ] - [ 0.0018539500000000, -0.0002872300000000, -0.0012393400000000 ] - [ 0.0038563800000000, -0.0002552900000000, 0.0022520600000000 ] - [ -0.0013047100000000, 0.0013879600000000, 0.0003146400000000 ] - [ -0.0010624000000000, 0.0011996400000000, 0.0010369700000000 ] - [ 0.0018624500000000, 0.0018133800000000, 0.0004137400000000 ] - [ -0.0000655900000000, 0.0026572300000000, 0.0019028900000000 ] - [ 0.0001690400000000, -0.0001503200000000, 0.0008191900000000 ] - [ -0.0002134400000000, -0.0002250200000000, 0.0005277400000000 ] - [ 0.0078244900000000, 0.0166396800000000, 0.0478717400000000 ] - [ 0.0007644700000000, 0.0003275400000000, -0.0001241200000000 ] - [ -0.0007140000000000, 0.0000915400000000, 0.0007158400000000 ] - [ 0.0048650300000000, 0.0010679700000000, 0.0025968800000000 ] - [ -0.0013862600000000, -0.0002430300000000, 0.0005184300000000 ] - [ 0.0038088900000000, 0.0010529300000000, -0.0031496600000000 ] - [ -0.0059161200000000, 0.0027703100000000, 0.0031708000000000 ] - [ -0.0114872300000000, 0.0063760900000000, -0.0036432900000000 ] - [ 0.0029822200000000, 0.0005073300000000, -0.0008440900000000 ] - [ -0.0109448200000000, -0.0089024000000000, -0.0056388300000000 ] - [ 0.0023261200000000, -0.0001510700000000, -0.0012618100000000 ] - [ 0.0002763700000000, 0.0057709000000000, 0.0009392000000000 ] - [ 0.0011605300000000, 0.0003954800000000, 0.0011478000000000 ] - [ 0.0016630900000000, -0.0024574300000000, 0.0055100500000000 ] - [ 0.0159039200000000, 0.0020215600000000, 0.0017287500000000 ] - [ -0.0015161600000000, -0.0007526700000000, -0.0025652100000000 ] - [ 0.0008028700000000, -0.0049549100000000, -0.0021955900000000 ] - [ 0.0044746700000000, -0.0025897400000000, -0.0163094200000000 ] - [ -0.0033629000000000, 0.0020064100000000, -0.0035150900000000 ] - [ -0.0007731100000000, -0.0003231200000000, -0.0015025100000000 ] - [ 0.0046006600000000, 0.0004889500000000, -0.0077404800000000 ] - [ 0.0028076400000000, 0.0010695100000000, -0.0022370200000000 ] - [ -0.0022287300000000, 0.0004711300000000, 0.0000334100000000 ] - [ -0.0747980400000000, 0.0922609000000000, 0.1394588500000000 ] - [ 0.0006053500000000, 0.0000391200000000, 0.0000707400000000 ] - [ 0.0001170100000000, -0.0000467800000000, -0.0006835300000000 ] - [ 0.0044353900000000, -0.0134085000000000, 0.0016088000000000 ] - [ 0.0053922200000000, -0.0028580300000000, -0.0036954000000000 ] - [ -0.0056779200000000, -0.0013076200000000, 0.0025056900000000 ] - [ -0.0138482700000000, 0.0042088300000000, 0.0415782900000000 ] - [ 0.0020713800000000, 0.0004553700000000, 0.0000882300000000 ] - [ 0.0204728300000000, 0.0117780500000000, -0.0015452700000000 ] - [ -0.0009535000000000, -0.0004156400000000, 0.0041832100000000 ] - [ -0.0038062200000000, -0.0017686200000000, 0.0056264900000000 ] - [ 0.0050598000000000, 0.0003578500000000, -0.0001192700000000 ] - [ 0.0015340000000000, 0.0009776100000000, -0.0052828800000000 ] - [ -0.0095278900000000, 0.0047713700000000, -0.0214415000000000 ] - [ 0.0002951300000000, -0.0022155600000000, -0.0044672500000000 ] - [ -0.0000972100000000, 0.0006525900000000, -0.0031310500000000 ] - [ 0.0033164700000000, -0.0003425600000000, -0.0029342100000000 ] - [ -0.0028826700000000, -0.0009578700000000, -0.0005481300000000 ] - [ -0.0062531600000000, 0.0004350900000000, -0.0017240800000000 ] - [ 0.0066958900000000, 0.0003658900000000, -0.0060629800000000 ] - [ 0.0023809200000000, 0.0006383800000000, -0.0006949700000000 ] - [ -0.0062688800000000, -0.0070267200000000, 0.0036543500000000 ]- atom: 81 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0006881000000000, 0.0001631700000000, 0.0004676600000000 ] - [ -0.0012664700000000, 0.0004644000000000, 0.0010572400000000 ] - [ -0.0008173500000000, 0.0001693300000000, 0.0013845200000000 ] - [ 0.0006532900000000, -0.0000995400000000, 0.0003656600000000 ] - [ 0.0011649200000000, -0.0033918900000000, -0.0032943300000000 ] - [ -0.0001741800000000, 0.0000460200000000, -0.0000174800000000 ] - [ -0.0004865200000000, 0.0000081400000000, -0.0000472600000000 ] - [ 0.0036974800000000, 0.0002335600000000, -0.0083896500000000 ] - [ 0.0002024300000000, -0.0015946100000000, 0.0010833000000000 ] - [ 0.0040023800000000, 0.0032410000000000, 0.0001066900000000 ] - [ 0.0054993400000000, -0.0027095800000000, -0.0035844500000000 ] - [ -0.0015982600000000, 0.0019393800000000, 0.0012172500000000 ] - [ -0.0047126600000000, -0.0036500000000000, 0.0025427600000000 ] - [ 0.0009008100000000, 0.0014805900000000, -0.0001793200000000 ] - [ 0.0013415000000000, -0.0017629600000000, -0.0012874400000000 ] - [ -0.0048094400000000, 0.0034815000000000, 0.0018742500000000 ] - [ -0.0004995400000000, 0.0014323000000000, -0.0024382600000000 ] - [ 0.0016454900000000, 0.0002858800000000, -0.0016789500000000 ] - [ 0.0029690100000000, -0.0015050500000000, 0.0045991500000000 ] - [ 0.0036930300000000, -0.0014210500000000, 0.0033416600000000 ] - [ 0.0011731500000000, 0.0016191900000000, 0.0039715900000000 ] - [ 0.0010182700000000, 0.0005651100000000, 0.0019915700000000 ] - [ -0.0012020400000000, 0.0016851400000000, -0.0062784400000000 ] - [ -0.0028004800000000, 0.0022108700000000, -0.0052118500000000 ] - [ -0.0012387300000000, 0.0005991300000000, 0.0005291200000000 ] - [ 0.0030936500000000, -0.0024745900000000, 0.0003939700000000 ] - [ -0.0009275600000000, -0.0003535500000000, -0.0002695800000000 ] - [ 0.0025346700000000, 0.0010914600000000, -0.0025958100000000 ] - [ 0.0029058400000000, -0.0008217200000000, -0.0011677700000000 ] - [ -0.0005831600000000, -0.0001305500000000, -0.0004348600000000 ] - [ 0.0044829200000000, 0.0031947600000000, -0.0020284800000000 ] - [ -0.0022694700000000, -0.0008402200000000, 0.0020577500000000 ] - [ -0.0044897900000000, 0.0027278200000000, 0.0019038900000000 ] - [ 0.0017434600000000, -0.0006605600000000, -0.0008085600000000 ] - [ 0.0026028900000000, 0.0009441200000000, -0.0020679900000000 ] - [ -0.0047700900000000, -0.0025075100000000, 0.0003869800000000 ] - [ -0.0007437700000000, -0.0023380900000000, -0.0016821600000000 ] - [ 0.0012521200000000, -0.0006503800000000, -0.0008719600000000 ] - [ 0.0007095200000000, 0.0051440100000000, 0.0007527000000000 ] - [ -0.0004506100000000, 0.0000198100000000, 0.0005879500000000 ] - [ -0.0011230800000000, -0.0010757600000000, -0.0033178700000000 ] - [ -0.0008986800000000, -0.0014554100000000, -0.0028726700000000 ] - [ 0.0388487700000000, -0.0161351300000000, -0.0157241300000000 ] - [ 0.0010371400000000, 0.0004288700000000, -0.0000973800000000 ] - [ 0.0005622200000000, -0.0001836300000000, -0.0009710900000000 ] - [ 0.0015847300000000, -0.0038170800000000, -0.0029234600000000 ] - [ -0.0004381300000000, -0.0027709000000000, -0.0024720200000000 ] - [ -0.0009838600000000, 0.0007221700000000, -0.0005094500000000 ] - [ 0.0123854700000000, -0.0054559400000000, -0.0277796400000000 ] - [ -0.0001453900000000, 0.0003017900000000, -0.0023442800000000 ] - [ 0.0007237600000000, 0.0004147000000000, -0.0009494000000000 ] - [ -0.0003119100000000, -0.0012781900000000, 0.0007469200000000 ] - [ -0.0010220700000000, -0.0000007500000000, 0.0035186500000000 ] - [ 0.0052598600000000, -0.0006373500000000, -0.0034621300000000 ] - [ 0.0005340400000000, 0.0006946200000000, -0.0019213500000000 ] - [ -0.0005590300000000, -0.0003541800000000, 0.0000678500000000 ] - [ 0.0083612400000000, -0.0209994400000000, -0.0011156000000000 ] - [ 0.0002477700000000, -0.0003404600000000, -0.0002970100000000 ] - [ 0.0003654600000000, 0.0000143200000000, 0.0002680300000000 ] - [ -0.0068906100000000, -0.0130448200000000, 0.0052499300000000 ] - [ -0.0010462800000000, 0.0011967700000000, -0.0001028100000000 ] - [ 0.0009186000000000, 0.0004519200000000, -0.0009471600000000 ] - [ 0.0015865300000000, 0.0018285400000000, -0.0020793800000000 ] - [ -0.0005183100000000, -0.0002915100000000, -0.0008047700000000 ] - [ -0.0139058600000000, -0.0090705900000000, -0.0084690500000000 ] - [ 0.0007206600000000, 0.0000005200000000, -0.0002567900000000 ] - [ 0.0023748700000000, -0.0014733600000000, 0.0006442500000000 ] - [ -0.0016796600000000, -0.0005197400000000, 0.0005862400000000 ] - [ 0.0009726800000000, 0.0016224400000000, -0.0039203300000000 ] - [ -0.0003132900000000, 0.0001948900000000, 0.0002829500000000 ] - [ 0.0007384000000000, 0.0003755600000000, -0.0010122000000000 ] - [ -0.0025965500000000, 0.0014996700000000, -0.0007834200000000 ] - [ 0.0008016800000000, -0.0000198300000000, 0.0009850000000000 ] - [ 0.0187610000000000, 0.0099034500000000, -0.0017062000000000 ] - [ -0.0005489400000000, 0.0008803800000000, 0.0008322300000000 ] - [ 0.0012773500000000, -0.0000259700000000, -0.0000538500000000 ] - [ 0.0058712800000000, 0.0006195300000000, -0.0031487500000000 ] - [ -0.0025291800000000, -0.0005730300000000, -0.0010214400000000 ] - [ -0.0016178300000000, 0.0001299700000000, -0.0003322300000000 ] - [ 0.0011190400000000, -0.0012456600000000, -0.0003937100000000 ] - [ -0.1312334100000000, 0.1643932900000000, 0.2722708600000000 ] - [ 0.0007207300000000, -0.0000634900000000, -0.0002908500000000 ] - [ -0.0002077400000000, 0.0000770300000000, -0.0000854800000000 ] - [ -0.0021876100000000, -0.0042994700000000, 0.0061047300000000 ] - [ -0.0007529300000000, -0.0001272700000000, -0.0007366200000000 ] - [ 0.0020222400000000, -0.0014041200000000, -0.0049167800000000 ] - [ 0.0018881500000000, 0.0008019800000000, -0.0028658500000000 ] - [ -0.0001630300000000, -0.0000828300000000, -0.0003089900000000 ] - [ -0.0083899100000000, 0.0117513600000000, -0.0073337500000000 ] - [ 0.0008220600000000, -0.0011202200000000, 0.0001039100000000 ] - [ 0.0014979900000000, 0.0000323400000000, 0.0000126400000000 ] - [ -0.0016154500000000, -0.0011195000000000, 0.0012898800000000 ] - [ -0.0036339000000000, 0.0016735800000000, -0.0022081700000000 ] - [ 0.0014799200000000, 0.0000465200000000, -0.0002926000000000 ] - [ 0.0008630100000000, 0.0002227500000000, -0.0010566200000000 ] - [ -0.0020327900000000, -0.0003812400000000, -0.0004240000000000 ] - [ 0.0002128300000000, -0.0029210800000000, -0.0011418300000000 ] - [ -0.0000184700000000, -0.0001379000000000, -0.0000457200000000 ] - [ 0.0000670700000000, -0.0000652600000000, -0.0012832900000000 ] - [ -0.0081656700000000, -0.0172389000000000, -0.0491887600000000 ] - [ -0.0009099200000000, -0.0000380400000000, -0.0006436000000000 ] - [ 0.0005574000000000, 0.0001947700000000, -0.0014837000000000 ] - [ -0.0039871600000000, -0.0003034300000000, -0.0017237700000000 ] - [ 0.0022159800000000, 0.0009970500000000, 0.0003404300000000 ] - [ -0.0045095100000000, -0.0005835700000000, 0.0027871800000000 ] - [ 0.0051199600000000, -0.0023004900000000, -0.0035613300000000 ] - [ 0.0121191700000000, -0.0058602300000000, 0.0039779300000000 ] - [ -0.0022375400000000, -0.0000277800000000, 0.0011852700000000 ] - [ 0.0101183600000000, 0.0083368900000000, 0.0052442500000000 ] - [ -0.0030313100000000, -0.0003259600000000, 0.0009159800000000 ] - [ 0.0000183500000000, -0.0055860300000000, -0.0016148500000000 ] - [ -0.0009405100000000, -0.0002459100000000, -0.0018029400000000 ] - [ -0.0018756200000000, 0.0025897300000000, -0.0048142500000000 ] - [ -0.0160044100000000, -0.0018700800000000, -0.0010192800000000 ] - [ 0.0012743800000000, 0.0006087200000000, 0.0032105900000000 ] - [ -0.0010058100000000, 0.0048136100000000, 0.0028014100000000 ] - [ -0.0041993500000000, 0.0024087500000000, 0.0154674500000000 ] - [ 0.0035684400000000, -0.0021460500000000, 0.0028326100000000 ] - [ 0.0014553200000000, 0.0005056400000000, 0.0001518900000000 ] - [ -0.0038761900000000, -0.0003060300000000, 0.0063641900000000 ] - [ -0.0034857100000000, -0.0008710500000000, 0.0035582200000000 ] - [ 0.0015142300000000, -0.0002777500000000, 0.0012957100000000 ] - [ 0.0767253100000000, -0.1005611000000000, -0.1444961800000000 ] - [ -0.0013134100000000, -0.0002248900000000, 0.0012574000000000 ] - [ 0.0005864600000000, -0.0001409300000000, -0.0006540100000000 ] - [ -0.0037231700000000, 0.0131075000000000, -0.0028816400000000 ] - [ -0.0046407300000000, 0.0023848000000000, 0.0040230100000000 ] - [ 0.0063543600000000, 0.0008565700000000, -0.0021945400000000 ] - [ 0.0131731000000000, -0.0027271000000000, -0.0369794300000000 ] - [ -0.0018235100000000, 0.0004600500000000, 0.0009219700000000 ] - [ -0.0208697000000000, -0.0125621900000000, 0.0009763400000000 ] - [ 0.0004205400000000, -0.0003549700000000, -0.0046958400000000 ] - [ 0.0042805100000000, 0.0009938400000000, -0.0050326300000000 ] - [ -0.0045436500000000, -0.0011151500000000, 0.0006744400000000 ] - [ -0.0010474200000000, -0.0002071200000000, 0.0057754800000000 ] - [ 0.0100152000000000, -0.0040010000000000, 0.0219413600000000 ] - [ -0.0007896700000000, 0.0029451200000000, 0.0039056500000000 ] - [ -0.0003929900000000, 0.0001112100000000, 0.0025604500000000 ] - [ -0.0030417800000000, -0.0005735700000000, 0.0039059800000000 ] - [ 0.0030803400000000, 0.0000393500000000, 0.0015395000000000 ] - [ 0.0059740400000000, -0.0013382700000000, 0.0007031900000000 ] - [ -0.0068735000000000, -0.0012669600000000, 0.0050257300000000 ] - [ -0.0026098200000000, 0.0002802000000000, -0.0003216700000000 ] - [ 0.0059298200000000, 0.0077979800000000, -0.0047002000000000 ]- atom: 89 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0001733200000000, -0.0001056200000000, -0.0006371200000000 ] - [ -0.0004569300000000, 0.0002597800000000, 0.0003393000000000 ] - [ 0.0000617000000000, -0.0001006900000000, 0.0003687200000000 ] - [ 0.0000026100000000, 0.0003102300000000, -0.0013086700000000 ] - [ 0.0084647000000000, -0.0001690000000000, 0.0021531900000000 ] - [ -0.0006284400000000, -0.0000249800000000, 0.0001183700000000 ] - [ -0.0004192800000000, -0.0000065500000000, 0.0002079500000000 ] - [ 0.0007167300000000, 0.0007479500000000, -0.0012493600000000 ] - [ 0.0030349000000000, 0.0017763900000000, -0.0013709200000000 ] - [ 0.0040042300000000, 0.0031025000000000, -0.0003422500000000 ] - [ 0.0006598300000000, 0.0003056000000000, -0.0012829300000000 ] - [ 0.0006762900000000, 0.0009065600000000, 0.0004356000000000 ] - [ -0.0031040800000000, -0.0039168300000000, 0.0018474400000000 ] - [ 0.0008151600000000, 0.0014033300000000, -0.0000092900000000 ] - [ -0.0005420600000000, -0.0006667900000000, 0.0002157600000000 ] - [ -0.0005942900000000, -0.0002838000000000, 0.0014642500000000 ] - [ -0.0102940500000000, -0.0076231600000000, 0.0046083400000000 ] - [ 0.0019386200000000, 0.0003548800000000, -0.0011998500000000 ] - [ -0.0004772600000000, 0.0012835600000000, -0.0033096100000000 ] - [ 0.0050976200000000, -0.0016471300000000, 0.0035817900000000 ] - [ -0.0017793600000000, -0.0024207400000000, -0.0040738800000000 ] - [ 0.0010623300000000, 0.0005496500000000, 0.0018930900000000 ] - [ -0.0013428200000000, 0.0008369400000000, -0.0035904800000000 ] - [ 0.0014048700000000, -0.0006593300000000, 0.0021548800000000 ] - [ 0.0043294900000000, -0.0014753200000000, -0.0002188500000000 ] - [ 0.0015621400000000, -0.0009563600000000, -0.0005376100000000 ] - [ -0.0017878900000000, -0.0003261800000000, 0.0008418200000000 ] - [ -0.0003482700000000, -0.0004160300000000, 0.0001949100000000 ] - [ -0.0009454800000000, 0.0004889300000000, -0.0008080300000000 ] - [ 0.0031529100000000, -0.0011966400000000, 0.0002483200000000 ] - [ 0.0001677300000000, 0.0002269600000000, -0.0004483600000000 ] - [ 0.0001148200000000, -0.0002627000000000, 0.0010271700000000 ] - [ 0.0332315900000000, -0.0332849100000000, 0.0024929100000000 ] - [ 0.0016985800000000, -0.0005118500000000, -0.0006605000000000 ] - [ 0.0000440000000000, 0.0000973600000000, -0.0004589000000000 ] - [ 0.0001113600000000, -0.0001747400000000, 0.0007068200000000 ] - [ -0.0024915800000000, -0.0004257500000000, 0.0004749700000000 ] - [ 0.0015001900000000, -0.0007368700000000, -0.0003972500000000 ] - [ -0.0014659600000000, -0.0006697000000000, -0.0004173600000000 ] - [ 0.0000641200000000, -0.0005279700000000, 0.0006311400000000 ] - [ -0.0007567800000000, -0.0004391500000000, -0.0003969600000000 ] - [ 0.0005771400000000, 0.0004111100000000, 0.0005963700000000 ] - [ -0.0028334600000000, 0.0003990500000000, -0.0001666500000000 ] - [ 0.0019733000000000, 0.0006250400000000, 0.0000024100000000 ] - [ -0.0001079100000000, 0.0004266800000000, 0.0002688300000000 ] - [ 0.0007024400000000, 0.0000996900000000, 0.0001927800000000 ] - [ -0.0021271600000000, -0.0037838900000000, -0.0015040100000000 ] - [ 0.0005744400000000, 0.0006342500000000, 0.0003306000000000 ] - [ 0.0046048400000000, -0.0057985800000000, -0.0119179300000000 ] - [ 0.0009318900000000, 0.0001202500000000, -0.0011694200000000 ] - [ 0.0000910500000000, 0.0001524400000000, 0.0010090000000000 ] - [ -0.0003770500000000, 0.0001401900000000, 0.0021236300000000 ] - [ 0.0026703800000000, 0.0001350500000000, -0.0018577200000000 ] - [ 0.0038351500000000, -0.0006032800000000, -0.0028849100000000 ] - [ -0.0003852500000000, -0.0002578400000000, -0.0022046800000000 ] - [ -0.0003593700000000, -0.0004608000000000, 0.0007115900000000 ] - [ 0.0040623200000000, -0.0124947500000000, 0.0031201200000000 ] - [ 0.0013156700000000, -0.0012284200000000, -0.0005284000000000 ] - [ 0.0004287300000000, -0.0000350000000000, 0.0001932000000000 ] - [ -0.0019434600000000, 0.0007911300000000, 0.0027144500000000 ] - [ 0.0021002200000000, -0.0017600400000000, 0.0020290700000000 ] - [ -0.0000482900000000, 0.0008717600000000, -0.0002905300000000 ] - [ 0.0001630800000000, 0.0000757200000000, -0.0008064500000000 ] - [ -0.0000006800000000, 0.0010257600000000, 0.0007006700000000 ] - [ -0.0097657700000000, -0.0013488600000000, -0.0041868600000000 ] - [ 0.0012864900000000, 0.0002840700000000, 0.0001446600000000 ] - [ 0.0003586900000000, -0.0002385700000000, 0.0000385800000000 ] - [ 0.0011030100000000, -0.0007010400000000, 0.0015060900000000 ] - [ -0.0003179600000000, 0.0001689900000000, -0.0007688100000000 ] - [ 0.0007297200000000, 0.0000432700000000, 0.0031505300000000 ] - [ -0.0006993400000000, 0.0005720500000000, -0.0009181600000000 ] - [ 0.0007182800000000, -0.0003567600000000, 0.0007480300000000 ] - [ 0.0021178900000000, 0.0012217800000000, -0.0001133000000000 ] - [ 0.0220284400000000, -0.0022603500000000, 0.0069726000000000 ] - [ -0.0022995600000000, 0.0002640800000000, -0.0006174700000000 ] - [ 0.0013753900000000, -0.0001600000000000, -0.0000192000000000 ] - [ 0.0017741500000000, -0.0003659800000000, -0.0018504400000000 ] - [ 0.0044303100000000, 0.0019565500000000, 0.0007068900000000 ] - [ -0.0005349300000000, -0.0004431100000000, 0.0009019500000000 ] - [ -0.0003608900000000, 0.0000138000000000, 0.0002888000000000 ] - [ -0.0036368500000000, 0.0000705200000000, 0.0075381700000000 ] - [ 0.0010197800000000, -0.0001520700000000, -0.0005422100000000 ] - [ 0.0007430800000000, 0.0004505800000000, -0.0010702500000000 ] - [ -0.0008481900000000, -0.0003875000000000, 0.0016515800000000 ] - [ -0.0010397500000000, 0.0017664200000000, 0.0039875700000000 ] - [ 0.0002158000000000, -0.0004527700000000, -0.0014169500000000 ] - [ 0.0005082200000000, 0.0002058900000000, -0.0009512300000000 ] - [ 0.0002547600000000, -0.0011174900000000, 0.0024308300000000 ] - [ -0.2323980400000000, 0.1354197700000000, -0.1350719300000000 ] - [ 0.0012809100000000, -0.0013895900000000, 0.0004095300000000 ] - [ 0.0000773200000000, -0.0008459000000000, -0.0003185000000000 ] - [ 0.0005118800000000, -0.0005394000000000, 0.0011702100000000 ] - [ -0.0017949700000000, 0.0034244800000000, -0.0006337400000000 ] - [ 0.0013158100000000, -0.0000022200000000, 0.0001756900000000 ] - [ -0.0003529400000000, 0.0005241700000000, -0.0005183500000000 ] - [ 0.0007873000000000, 0.0013057700000000, 0.0012052000000000 ] - [ -0.0016727000000000, -0.0014271600000000, -0.0036381700000000 ] - [ 0.0012915000000000, 0.0000125400000000, 0.0011675600000000 ] - [ 0.0000896700000000, -0.0001358500000000, -0.0005090500000000 ] - [ -0.0001667600000000, -0.0000408300000000, 0.0019573900000000 ] - [ 0.0023349600000000, -0.0005514200000000, 0.0024428000000000 ] - [ -0.0000297300000000, 0.0002485100000000, -0.0014393200000000 ] - [ 0.0281356400000000, 0.0031672500000000, 0.0287510100000000 ] - [ 0.0021128100000000, 0.0010632400000000, 0.0007776900000000 ] - [ -0.0004529200000000, 0.0002023000000000, 0.0009101000000000 ] - [ -0.0012424200000000, 0.0006880900000000, -0.0025868500000000 ] - [ 0.1527462100000000, -0.0756660400000000, 0.0845024200000000 ] - [ -0.0026809700000000, -0.0000153100000000, 0.0003388500000000 ] - [ 0.0070255100000000, 0.0032982400000000, 0.0014055800000000 ] - [ -0.0032000600000000, -0.0004585000000000, 0.0000337800000000 ] - [ 0.0040418100000000, 0.0022936400000000, 0.0031057100000000 ] - [ -0.0013799100000000, 0.0002085800000000, -0.0021808200000000 ] - [ -0.0034305000000000, -0.0027553400000000, 0.0041902300000000 ] - [ -0.0153976100000000, -0.0029355400000000, 0.0018285300000000 ] - [ 0.0006710600000000, 0.0000065600000000, -0.0004954000000000 ] - [ -0.0002862600000000, -0.0004614400000000, -0.0011112400000000 ] - [ -0.0013825800000000, 0.0030793500000000, 0.0111626700000000 ] - [ -0.0038206600000000, 0.0000343000000000, -0.0009321900000000 ] - [ 0.0016556900000000, -0.0018648300000000, -0.0046314900000000 ] - [ 0.0002291700000000, 0.0006649000000000, 0.0005911400000000 ] - [ -0.0000015400000000, -0.0006818100000000, 0.0023974100000000 ] - [ -0.0039586200000000, 0.0025747800000000, -0.0027577800000000 ] - [ 0.0053190600000000, -0.0028754900000000, -0.0040445900000000 ] - [ -0.0020251400000000, -0.0000591700000000, 0.0009819300000000 ] - [ -0.0036142300000000, -0.0002820800000000, -0.0002708000000000 ] - [ -0.0015387900000000, 0.0057611800000000, 0.0037683200000000 ] - [ 0.0004251400000000, -0.0002147800000000, 0.0013488800000000 ] - [ -0.0006547500000000, -0.0005587700000000, -0.0023763200000000 ] - [ 0.0226991700000000, -0.0081774100000000, 0.0035138100000000 ] - [ -0.0033848700000000, 0.0005123100000000, 0.0004870300000000 ] - [ 0.0015910200000000, -0.0003233700000000, 0.0028532100000000 ] - [ -0.0030251200000000, 0.0003210700000000, -0.0052577900000000 ] - [ -0.0125409300000000, 0.0112527800000000, 0.0053285000000000 ] - [ -0.0041099900000000, -0.0018781600000000, 0.0010041600000000 ] - [ 0.0022374800000000, -0.0002314200000000, 0.0018985200000000 ] - [ -0.0006612800000000, 0.0005891500000000, -0.0025464500000000 ] - [ 0.0089369100000000, 0.0061026100000000, 0.0005210500000000 ] - [ -0.0038709700000000, 0.0004590800000000, -0.0010045000000000 ] - [ 0.0000990300000000, -0.0004483900000000, 0.0023192100000000 ] - [ -0.0006047600000000, -0.0003387800000000, -0.0028903000000000 ] - [ -0.0141109800000000, -0.0095561600000000, -0.0075469300000000 ] - [ -0.0038494000000000, -0.0004014600000000, 0.0026203200000000 ] - [ -0.0010028100000000, 0.0005539400000000, 0.0001135300000000 ] - [ 0.0017107100000000, -0.0007928100000000, -0.0040813900000000 ]- atom: 89 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0000426300000000, 0.0001281300000000, 0.0006192000000000 ] - [ 0.0002369700000000, -0.0002371600000000, -0.0003570600000000 ] - [ 0.0001577400000000, 0.0001237300000000, -0.0003516100000000 ] - [ 0.0002179900000000, -0.0002849100000000, 0.0013215600000000 ] - [ -0.0084978800000000, -0.0001044900000000, -0.0024779200000000 ] - [ 0.0008455600000000, 0.0000017800000000, -0.0001002300000000 ] - [ 0.0002003200000000, -0.0000164000000000, -0.0002242600000000 ] - [ -0.0009365200000000, -0.0007657900000000, 0.0012301300000000 ] - [ -0.0018195900000000, -0.0017193000000000, 0.0010146600000000 ] - [ -0.0028052100000000, -0.0030653900000000, -0.0000076100000000 ] - [ 0.0005415600000000, 0.0006596800000000, -0.0000603200000000 ] - [ 0.0005292200000000, 0.0000554400000000, -0.0017791100000000 ] - [ 0.0018680700000000, 0.0048384200000000, -0.0004897100000000 ] - [ -0.0020156800000000, -0.0004379700000000, 0.0013513300000000 ] - [ -0.0006594500000000, -0.0002988100000000, 0.0011242900000000 ] - [ -0.0006054100000000, -0.0006814300000000, -0.0001209100000000 ] - [ 0.0114117300000000, 0.0068511000000000, -0.0060996100000000 ] - [ -0.0007347400000000, -0.0013186200000000, -0.0001423400000000 ] - [ 0.0003459100000000, -0.0012836700000000, 0.0022917100000000 ] - [ -0.0052445100000000, 0.0016468700000000, -0.0045990900000000 ] - [ 0.0018959600000000, 0.0024026800000000, 0.0050590400000000 ] - [ -0.0009349900000000, -0.0005562300000000, -0.0008866700000000 ] - [ 0.0014709800000000, -0.0008286500000000, 0.0045925300000000 ] - [ -0.0012738300000000, 0.0006634200000000, -0.0011426600000000 ] - [ -0.0053130200000000, 0.0021026900000000, 0.0006080300000000 ] - [ -0.0025606900000000, 0.0015965000000000, 0.0009291300000000 ] - [ 0.0007734100000000, -0.0003145900000000, -0.0004526300000000 ] - [ -0.0006592700000000, -0.0002252600000000, 0.0001953100000000 ] - [ 0.0019720600000000, -0.0011356700000000, 0.0004178500000000 ] - [ -0.0021376200000000, 0.0005527900000000, -0.0006357700000000 ] - [ -0.0001378300000000, -0.0000391900000000, 0.0005632500000000 ] - [ -0.0000795500000000, 0.0004535300000000, -0.0009120300000000 ] - [ -0.0327361700000000, 0.0328127000000000, -0.0025937900000000 ] - [ -0.0017273200000000, 0.0006995300000000, 0.0005445600000000 ] - [ -0.0000736600000000, -0.0002856000000000, 0.0003414200000000 ] - [ -0.0001391500000000, -0.0000139200000000, -0.0008212000000000 ] - [ 0.0025089400000000, 0.0002444500000000, -0.0003642400000000 ] - [ -0.0014666900000000, 0.0005468600000000, 0.0005126100000000 ] - [ 0.0002589000000000, 0.0007101200000000, 0.0007679200000000 ] - [ -0.0012678200000000, 0.0005755700000000, -0.0002801400000000 ] - [ 0.0006276900000000, 0.0004428000000000, -0.0006316600000000 ] - [ -0.0007007100000000, -0.0004023000000000, -0.0015970400000000 ] - [ 0.0038270000000000, 0.0002380200000000, -0.0002157300000000 ] - [ -0.0009669200000000, 0.0000154700000000, -0.0003920800000000 ] - [ 0.0013100600000000, -0.0004774500000000, -0.0006240900000000 ] - [ 0.0005016500000000, -0.0001445000000000, -0.0005417000000000 ] - [ 0.0009335500000000, 0.0037623300000000, 0.0018579200000000 ] - [ -0.0017746200000000, -0.0006781300000000, 0.0000209200000000 ] - [ -0.0050163800000000, 0.0062485300000000, 0.0105217000000000 ] - [ -0.0013293900000000, 0.0003006700000000, -0.0002675500000000 ] - [ 0.0003107000000000, 0.0002686400000000, 0.0004187700000000 ] - [ 0.0007759600000000, 0.0002814400000000, -0.0006796000000000 ] - [ -0.0022601400000000, -0.0005553300000000, 0.0032808900000000 ] - [ -0.0034418400000000, 0.0001824800000000, 0.0043334600000000 ] - [ -0.0000164600000000, -0.0001645900000000, 0.0007643800000000 ] - [ -0.0000411700000000, 0.0000401200000000, -0.0021482800000000 ] - [ -0.0038931600000000, 0.0117741800000000, -0.0038333000000000 ] - [ -0.0011088300000000, 0.0004907900000000, -0.0001502600000000 ] - [ -0.0006309100000000, -0.0007005700000000, 0.0004825900000000 ] - [ 0.0017492300000000, -0.0015172900000000, -0.0020026500000000 ] - [ -0.0022940000000000, 0.0024832000000000, -0.0013452900000000 ] - [ -0.0001498500000000, -0.0001413200000000, 0.0009692300000000 ] - [ 0.0000399300000000, 0.0006592100000000, 0.0001288500000000 ] - [ 0.0002020900000000, -0.0002866300000000, -0.0013774600000000 ] - [ 0.0088735900000000, 0.0005101400000000, 0.0032956300000000 ] - [ -0.0021306900000000, -0.0010448400000000, -0.0010051000000000 ] - [ 0.0004882100000000, -0.0005226300000000, 0.0008210800000000 ] - [ -0.0002490100000000, -0.0000637600000000, -0.0006405900000000 ] - [ 0.0004680800000000, 0.0001187000000000, 0.0015393800000000 ] - [ -0.0005795100000000, 0.0002461100000000, -0.0023780800000000 ] - [ -0.0001480100000000, 0.0001906100000000, 0.0000547400000000 ] - [ -0.0015629500000000, 0.0011184300000000, -0.0016084100000000 ] - [ -0.0027749400000000, -0.0009155100000000, 0.0006688200000000 ] - [ -0.0229519400000000, 0.0026372400000000, -0.0065470600000000 ] - [ 0.0029559500000000, 0.0000388600000000, 0.0000595900000000 ] - [ -0.0007109100000000, 0.0004633800000000, -0.0005391400000000 ] - [ -0.0011053300000000, 0.0000677300000000, 0.0012951000000000 ] - [ -0.0037510700000000, -0.0022489200000000, -0.0012580900000000 ] - [ -0.0001366000000000, 0.0001407400000000, -0.0003472600000000 ] - [ -0.0003030200000000, -0.0003158700000000, 0.0002694300000000 ] - [ 0.0043111000000000, 0.0000784900000000, -0.0073136700000000 ] - [ -0.0003802500000000, 0.0003228600000000, 0.0007254300000000 ] - [ -0.0013773200000000, -0.0002771300000000, 0.0008791300000000 ] - [ 0.0002180600000000, 0.0005597400000000, -0.0018323500000000 ] - [ 0.0003979100000000, -0.0019296500000000, -0.0041579500000000 ] - [ -0.0008539500000000, 0.0002812900000000, 0.0012328700000000 ] - [ 0.0001347500000000, -0.0003761700000000, 0.0011345700000000 ] - [ 0.0003821000000000, 0.0009417500000000, -0.0022377300000000 ] - [ 0.2271938900000000, -0.1319917600000000, 0.1297507300000000 ] - [ -0.0014685000000000, -0.0000377700000000, -0.0004327300000000 ] - [ 0.0001116900000000, -0.0005802100000000, 0.0003402900000000 ] - [ -0.0003174800000000, -0.0008828200000000, -0.0011429900000000 ] - [ 0.0019600700000000, -0.0019808400000000, 0.0006461100000000 ] - [ -0.0011245300000000, 0.0014279700000000, -0.0001510900000000 ] - [ 0.0001635800000000, 0.0009017400000000, 0.0004934100000000 ] - [ -0.0009748900000000, 0.0001197400000000, -0.0012272500000000 ] - [ 0.0018343400000000, 0.0011431700000000, 0.0044209100000000 ] - [ -0.0011365300000000, -0.0002999500000000, -0.0003947300000000 ] - [ -0.0002414500000000, -0.0001525100000000, -0.0002643100000000 ] - [ 0.0000181300000000, -0.0002500200000000, -0.0027097000000000 ] - [ -0.0024797700000000, 0.0008391900000000, -0.0031986000000000 ] - [ -0.0001159600000000, 0.0000396500000000, 0.0006749200000000 ] - [ -0.0269548800000000, -0.0023673600000000, -0.0273422400000000 ] - [ -0.0012635900000000, -0.0003003800000000, 0.0000857000000000 ] - [ -0.0002723900000000, 0.0002706800000000, -0.0012501600000000 ] - [ 0.0005089800000000, -0.0002174500000000, 0.0022399400000000 ] - [ -0.1471414500000000, 0.0712433200000000, -0.0787216300000000 ] - [ 0.0034037500000000, 0.0004876300000000, 0.0000038400000000 ] - [ -0.0076609900000000, -0.0037280500000000, -0.0017203200000000 ] - [ 0.0024705600000000, -0.0000149300000000, -0.0003786200000000 ] - [ -0.0038030500000000, -0.0021386000000000, -0.0037628600000000 ] - [ 0.0016022200000000, -0.0000679700000000, 0.0015135800000000 ] - [ 0.0032012200000000, 0.0028822800000000, -0.0035060400000000 ] - [ 0.0152039700000000, 0.0030909600000000, -0.0011696800000000 ] - [ -0.0008803100000000, -0.0001386400000000, 0.0011834100000000 ] - [ 0.0000634900000000, 0.0003169300000000, 0.0017707200000000 ] - [ 0.0015983000000000, -0.0032334900000000, -0.0118507000000000 ] - [ 0.0040324400000000, -0.0001764300000000, 0.0002616400000000 ] - [ -0.0009438700000000, 0.0020410500000000, 0.0032877200000000 ] - [ 0.0004739900000000, -0.0004778400000000, -0.0019289700000000 ] - [ -0.0007179400000000, 0.0008711100000000, -0.0010641300000000 ] - [ 0.0032480300000000, -0.0023767600000000, 0.0040825700000000 ] - [ -0.0060096100000000, 0.0026864000000000, 0.0053363800000000 ] - [ 0.0013244000000000, -0.0001270800000000, 0.0003577300000000 ] - [ 0.0043029200000000, 0.0000929100000000, -0.0010625200000000 ] - [ 0.0022186300000000, -0.0059520400000000, -0.0051125500000000 ] - [ 0.0003010400000000, -0.0002589100000000, -0.0010015200000000 ] - [ 0.0013733400000000, 0.0000905600000000, 0.0027170500000000 ] - [ -0.0224824800000000, 0.0097992300000000, -0.0025976200000000 ] - [ 0.0036148800000000, 0.0004028000000000, 0.0005239000000000 ] - [ -0.0020674000000000, -0.0004369600000000, -0.0033950300000000 ] - [ 0.0025322700000000, -0.0010868600000000, 0.0047163000000000 ] - [ 0.0129764800000000, -0.0119508300000000, -0.0047812000000000 ] - [ 0.0045968400000000, 0.0011204200000000, -0.0004619200000000 ] - [ -0.0017414800000000, 0.0009991600000000, -0.0013426100000000 ] - [ 0.0011466600000000, 0.0001778900000000, 0.0030782300000000 ] - [ -0.0095019700000000, -0.0054086100000000, -0.0010367900000000 ] - [ 0.0033709400000000, 0.0003056000000000, 0.0004527600000000 ] - [ 0.0001376700000000, -0.0004678000000000, -0.0013042200000000 ] - [ 0.0008463200000000, -0.0005793200000000, 0.0038973100000000 ] - [ 0.0138171700000000, 0.0085990300000000, 0.0065095200000000 ] - [ 0.0036102300000000, -0.0005140100000000, -0.0036404100000000 ] - [ 0.0007630200000000, 0.0003605800000000, -0.0011145300000000 ] - [ -0.0019548300000000, 0.0016919700000000, 0.0030550300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002115800000000, -0.0003858100000000, 0.0000653500000000 ] - [ 0.0000718600000000, -0.0004218300000000, -0.0002404200000000 ] - [ 0.0000320400000000, 0.0001739800000000, -0.0000776000000000 ] - [ 0.0003447100000000, 0.0001598800000000, 0.0005131700000000 ] - [ -0.0009832700000000, 0.0076840200000000, -0.0000993100000000 ] - [ 0.0005377100000000, 0.0000826200000000, -0.0000066000000000 ] - [ 0.0000701500000000, -0.0000613300000000, -0.0001140500000000 ] - [ -0.0007131000000000, -0.0014686400000000, 0.0018230500000000 ] - [ -0.0017610800000000, -0.0021327600000000, 0.0006379100000000 ] - [ -0.0012793000000000, -0.0023790000000000, 0.0000326900000000 ] - [ 0.0009165800000000, 0.0002110400000000, -0.0006122900000000 ] - [ 0.0005752300000000, 0.0000836800000000, -0.0012690800000000 ] - [ 0.0040041200000000, 0.0080809300000000, -0.0008544100000000 ] - [ -0.0012687000000000, 0.0001437300000000, 0.0010155600000000 ] - [ -0.0005966000000000, -0.0002948400000000, 0.0009294800000000 ] - [ -0.0006971900000000, -0.0004498700000000, 0.0002293800000000 ] - [ -0.0015181700000000, 0.0318658600000000, -0.0385335600000000 ] - [ -0.0000600500000000, -0.0009235200000000, -0.0004387900000000 ] - [ 0.0005815900000000, -0.0011019900000000, 0.0007957600000000 ] - [ -0.0028667800000000, 0.0007152100000000, -0.0026295200000000 ] - [ 0.0013633000000000, 0.0023297200000000, 0.0040961800000000 ] - [ -0.0004666800000000, -0.0002257600000000, -0.0001700700000000 ] - [ 0.0010792200000000, -0.0006686500000000, 0.0049840100000000 ] - [ -0.0004382700000000, 0.0003358000000000, -0.0003843600000000 ] - [ -0.0043746400000000, 0.0018866700000000, 0.0004127400000000 ] - [ -0.0022140600000000, 0.0026858900000000, 0.0013305900000000 ] - [ -0.0001697800000000, -0.0003205700000000, 0.0000351600000000 ] - [ -0.0003886200000000, -0.0001751000000000, 0.0000872800000000 ] - [ 0.0041746100000000, -0.0008257800000000, -0.0004574600000000 ] - [ -0.0009767000000000, -0.0000876700000000, -0.0006752900000000 ] - [ 0.0002692000000000, 0.0002980500000000, 0.0001489200000000 ] - [ -0.0002409700000000, 0.0003018000000000, -0.0005757600000000 ] - [ -0.0399462800000000, 0.0211319800000000, -0.0014658000000000 ] - [ -0.0008285900000000, 0.0003763200000000, 0.0002743600000000 ] - [ 0.0000037600000000, -0.0003894400000000, 0.0000634600000000 ] - [ -0.0002696700000000, -0.0002984300000000, -0.0003593800000000 ] - [ -0.0018261800000000, 0.0070357800000000, 0.0038908500000000 ] - [ -0.0007378900000000, 0.0002864400000000, 0.0002608800000000 ] - [ 0.0001586900000000, 0.0012275700000000, 0.0001992800000000 ] - [ -0.0010899900000000, 0.0005209000000000, -0.0000515600000000 ] - [ -0.0001267500000000, 0.0002646700000000, -0.0040786800000000 ] - [ -0.0003562900000000, -0.0002283600000000, -0.0010261400000000 ] - [ 0.0033515600000000, -0.0006941300000000, -0.0009813200000000 ] - [ -0.0004681200000000, 0.0000509300000000, -0.0002896500000000 ] - [ 0.0010506500000000, -0.0014409000000000, -0.0010119700000000 ] - [ 0.0006847500000000, -0.0004459400000000, -0.0004346200000000 ] - [ 0.0017456700000000, 0.0070138600000000, 0.0016451700000000 ] - [ -0.0009285500000000, 0.0000399900000000, 0.0000128300000000 ] - [ -0.0086511600000000, 0.0061363700000000, 0.0153125200000000 ] - [ -0.0005010200000000, 0.0002560400000000, -0.0008519800000000 ] - [ 0.0003482500000000, 0.0001428700000000, -0.0005788300000000 ] - [ 0.0003944800000000, 0.0002124400000000, 0.0004003200000000 ] - [ -0.0001760600000000, -0.0010984200000000, 0.0007526100000000 ] - [ -0.0019641200000000, -0.0003308900000000, 0.0028056200000000 ] - [ 0.0000505100000000, 0.0000800000000000, -0.0000004200000000 ] - [ -0.0002064300000000, 0.0000206000000000, -0.0015079300000000 ] - [ -0.0071160500000000, 0.0226142400000000, -0.0050000800000000 ] - [ -0.0007459600000000, 0.0003845000000000, -0.0002816100000000 ] - [ -0.0004440200000000, -0.0007445300000000, 0.0003374000000000 ] - [ 0.0003641500000000, -0.0035267700000000, 0.0025093300000000 ] - [ -0.0004432400000000, -0.0000606300000000, -0.0003111500000000 ] - [ 0.0006010100000000, -0.0006952900000000, 0.0006429400000000 ] - [ 0.0001980300000000, 0.0008419800000000, -0.0001254400000000 ] - [ 0.0001099900000000, 0.0004775800000000, -0.0006405900000000 ] - [ 0.0149748500000000, 0.0185544200000000, 0.0095051900000000 ] - [ -0.0012989000000000, -0.0006868700000000, -0.0007695000000000 ] - [ 0.0006162000000000, -0.0006027700000000, 0.0006396000000000 ] - [ 0.0003433400000000, -0.0003786600000000, 0.0001397900000000 ] - [ 0.0003446900000000, 0.0002152900000000, 0.0007364400000000 ] - [ -0.0003088400000000, 0.0002392400000000, -0.0008068200000000 ] - [ -0.0002534800000000, 0.0004301500000000, -0.0002785100000000 ] - [ -0.0013237600000000, 0.0010257900000000, -0.0012238700000000 ] - [ -0.0014101700000000, -0.0007004800000000, 0.0003147900000000 ] - [ -0.0140675900000000, -0.0068623100000000, -0.0023794200000000 ] - [ 0.0018787100000000, 0.0009804100000000, -0.0000991000000000 ] - [ -0.0003788600000000, 0.0004469800000000, -0.0004818700000000 ] - [ -0.0016640800000000, 0.0001773200000000, 0.0015742000000000 ] - [ -0.0004159500000000, -0.0006956900000000, -0.0005143700000000 ] - [ -0.0012747100000000, 0.0000689900000000, -0.0005409600000000 ] - [ -0.0001333500000000, -0.0003466900000000, 0.0002767700000000 ] - [ 0.0022476600000000, -0.0007982500000000, -0.0139877500000000 ] - [ -0.0000455500000000, 0.0001854800000000, 0.0003405300000000 ] - [ -0.0009825100000000, -0.0000967600000000, 0.0003572700000000 ] - [ 0.0011366300000000, 0.0056561500000000, 0.0004029700000000 ] - [ -0.0001131900000000, -0.0007676100000000, -0.0011553300000000 ] - [ -0.0005931900000000, -0.0000062600000000, 0.0005409800000000 ] - [ 0.0010287400000000, 0.0002155900000000, -0.0000042700000000 ] - [ 0.0002300800000000, 0.0004080300000000, -0.0013176500000000 ] - [ 0.1326815400000000, -0.2127008300000000, 0.0967524500000000 ] - [ -0.0007764200000000, -0.0004189800000000, -0.0002533700000000 ] - [ 0.0002280300000000, -0.0004463400000000, 0.0001906700000000 ] - [ -0.0000781500000000, -0.0000505800000000, -0.0007512200000000 ] - [ 0.0028249700000000, 0.0008635100000000, 0.0022897400000000 ] - [ -0.0006260700000000, 0.0011333100000000, -0.0001097800000000 ] - [ 0.0000951000000000, 0.0007120300000000, 0.0001313200000000 ] - [ -0.0006907200000000, 0.0002444300000000, -0.0006385800000000 ] - [ 0.0028795400000000, 0.0050083100000000, 0.0062005200000000 ] - [ -0.0007771200000000, -0.0002355100000000, -0.0003137300000000 ] - [ -0.0001733500000000, -0.0002505000000000, -0.0003025300000000 ] - [ -0.0001768100000000, -0.0014458400000000, -0.0031668100000000 ] - [ -0.0023605800000000, 0.0006271900000000, -0.0033513700000000 ] - [ 0.0007317300000000, 0.0002963300000000, 0.0008784900000000 ] - [ 0.0013847600000000, -0.0094153400000000, 0.0019542900000000 ] - [ -0.0005031300000000, -0.0000778500000000, 0.0002363600000000 ] - [ -0.0005441800000000, -0.0001690800000000, -0.0005773600000000 ] - [ 0.0003487700000000, -0.0003980800000000, 0.0014002900000000 ] - [ -0.0598086500000000, 0.0973973000000000, -0.0480473900000000 ] - [ 0.0018536300000000, 0.0005155400000000, 0.0001511900000000 ] - [ -0.0111588300000000, -0.0151885900000000, -0.0107692000000000 ] - [ 0.0011057100000000, -0.0003037100000000, -0.0001861400000000 ] - [ -0.0025824700000000, -0.0029597100000000, -0.0025689900000000 ] - [ 0.0011181500000000, -0.0002670200000000, 0.0006933100000000 ] - [ 0.0012212800000000, 0.0037848200000000, -0.0006397700000000 ] - [ 0.0085961400000000, 0.0027964900000000, -0.0008937900000000 ] - [ 0.0010982900000000, 0.0016617400000000, 0.0038053600000000 ] - [ -0.0002000500000000, 0.0005071800000000, 0.0008465500000000 ] - [ 0.0030352100000000, -0.0057178600000000, -0.0147826200000000 ] - [ 0.0011620300000000, -0.0004448600000000, 0.0002921600000000 ] - [ 0.0001364400000000, 0.0004368800000000, 0.0006478900000000 ] - [ 0.0001791700000000, -0.0004470700000000, -0.0010558700000000 ] - [ -0.0039237400000000, 0.0005606800000000, -0.0000179100000000 ] - [ 0.0018277900000000, 0.0003045000000000, 0.0040139700000000 ] - [ -0.0040391100000000, 0.0103009400000000, 0.0072508700000000 ] - [ 0.0007203700000000, 0.0001075200000000, 0.0005864400000000 ] - [ 0.0031014300000000, -0.0001301700000000, -0.0007401700000000 ] - [ 0.0025560800000000, -0.0154705900000000, -0.0086780000000000 ] - [ 0.0000205000000000, 0.0001683300000000, -0.0001613000000000 ] - [ 0.0008831900000000, 0.0004691500000000, 0.0012607900000000 ] - [ -0.0207695400000000, 0.0482146700000000, -0.0079871500000000 ] - [ 0.0017538700000000, 0.0002993100000000, 0.0008707000000000 ] - [ -0.0025067200000000, -0.0006187000000000, -0.0011114400000000 ] - [ 0.0016516200000000, -0.0005683400000000, 0.0023174700000000 ] - [ 0.0123317400000000, -0.0132606200000000, -0.0032570200000000 ] - [ 0.0022533500000000, -0.0000908400000000, -0.0008434200000000 ] - [ -0.0011381800000000, 0.0018339900000000, -0.0010984100000000 ] - [ 0.0008450000000000, 0.0004067000000000, 0.0024354500000000 ] - [ -0.0145246000000000, -0.0209046200000000, 0.0051475200000000 ] - [ 0.0015906200000000, 0.0001172300000000, 0.0003969300000000 ] - [ -0.0002660600000000, -0.0007177900000000, 0.0000273600000000 ] - [ 0.0013039700000000, -0.0012216000000000, 0.0024698000000000 ] - [ 0.0015463400000000, 0.0038551000000000, 0.0008726700000000 ] - [ 0.0022459600000000, 0.0005962000000000, -0.0022503700000000 ] - [ 0.0001364800000000, 0.0003024700000000, -0.0002314200000000 ] - [ -0.0013910000000000, -0.0005394400000000, -0.0007136400000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000096200000000, 0.0004113700000000, -0.0000805400000000 ] - [ -0.0002858100000000, 0.0004415000000000, 0.0002199600000000 ] - [ 0.0001877900000000, -0.0001496900000000, 0.0000922000000000 ] - [ -0.0001231700000000, -0.0001416100000000, -0.0004797000000000 ] - [ 0.0009734700000000, -0.0077535200000000, -0.0000930500000000 ] - [ -0.0003135200000000, -0.0001064600000000, 0.0000226000000000 ] - [ -0.0002873800000000, 0.0000394400000000, 0.0000950800000000 ] - [ 0.0004850700000000, 0.0014340100000000, -0.0018129500000000 ] - [ 0.0029564000000000, 0.0021869900000000, -0.0009787400000000 ] - [ 0.0024579000000000, 0.0024003300000000, -0.0003820800000000 ] - [ 0.0002862800000000, 0.0007545400000000, -0.0007255100000000 ] - [ 0.0006268900000000, 0.0008764600000000, -0.0000822400000000 ] - [ -0.0051398400000000, -0.0070396400000000, 0.0021898500000000 ] - [ 0.0000530500000000, 0.0008131500000000, 0.0003329000000000 ] - [ -0.0006043700000000, -0.0006695600000000, 0.0004156400000000 ] - [ -0.0005055600000000, -0.0005171200000000, 0.0011042000000000 ] - [ 0.0028347500000000, -0.0328917300000000, 0.0376453500000000 ] - [ 0.0012502700000000, -0.0000481500000000, -0.0008982100000000 ] - [ -0.0007041200000000, 0.0010840400000000, -0.0017714600000000 ] - [ 0.0027078400000000, -0.0007116600000000, 0.0015954000000000 ] - [ -0.0012275400000000, -0.0023194900000000, -0.0030697300000000 ] - [ 0.0005837200000000, 0.0002146700000000, 0.0011625100000000 ] - [ -0.0009314100000000, 0.0006541900000000, -0.0039188100000000 ] - [ 0.0005492800000000, -0.0003221300000000, 0.0013724400000000 ] - [ 0.0033508000000000, -0.0012383800000000, -0.0000193700000000 ] - [ 0.0011668500000000, -0.0020133900000000, -0.0009326600000000 ] - [ -0.0008207100000000, -0.0003220300000000, 0.0003461500000000 ] - [ -0.0006227800000000, -0.0004655900000000, 0.0003008500000000 ] - [ -0.0031548600000000, 0.0001935700000000, 0.0000699200000000 ] - [ 0.0019599000000000, -0.0005411100000000, 0.0002864400000000 ] - [ -0.0002387400000000, -0.0001109600000000, -0.0000293700000000 ] - [ 0.0002680500000000, -0.0001115700000000, 0.0006818100000000 ] - [ 0.0402405900000000, -0.0208720400000000, 0.0013697900000000 ] - [ 0.0007824700000000, -0.0001800100000000, -0.0003842600000000 ] - [ -0.0000333100000000, 0.0001997000000000, -0.0001769300000000 ] - [ 0.0002358400000000, 0.0001091600000000, 0.0002374200000000 ] - [ 0.0018653300000000, -0.0071717100000000, -0.0037317300000000 ] - [ 0.0007551300000000, -0.0004694300000000, -0.0001407500000000 ] - [ -0.0013518700000000, -0.0011804500000000, 0.0001512200000000 ] - [ -0.0001188000000000, -0.0004719300000000, 0.0003981200000000 ] - [ 0.0000101700000000, -0.0002455200000000, 0.0030883200000000 ] - [ 0.0002238200000000, 0.0002317100000000, 0.0000116200000000 ] - [ -0.0023126200000000, 0.0013191900000000, 0.0005930000000000 ] - [ 0.0014654300000000, 0.0005883400000000, -0.0001011000000000 ] - [ 0.0001619800000000, 0.0013944800000000, 0.0006519300000000 ] - [ 0.0005171000000000, 0.0003991500000000, 0.0000801000000000 ] - [ -0.0029371900000000, -0.0070167200000000, -0.0012684500000000 ] - [ -0.0002895800000000, -0.0000960200000000, 0.0003375000000000 ] - [ 0.0081365700000000, -0.0056715700000000, -0.0165014100000000 ] - [ 0.0000871400000000, 0.0001660700000000, -0.0005766200000000 ] - [ 0.0000555100000000, 0.0002812800000000, 0.0020115800000000 ] - [ 0.0000089300000000, 0.0002115400000000, 0.0010290400000000 ] - [ 0.0005371500000000, 0.0006778700000000, 0.0007341300000000 ] - [ 0.0023407000000000, -0.0000912000000000, -0.0013455200000000 ] - [ -0.0004481700000000, -0.0004995000000000, -0.0014318500000000 ] - [ -0.0001920800000000, -0.0004392600000000, 0.0000573900000000 ] - [ 0.0072356200000000, -0.0230430400000000, 0.0042274800000000 ] - [ 0.0009421900000000, -0.0011164500000000, -0.0003932000000000 ] - [ 0.0002381600000000, 0.0000084100000000, 0.0003407700000000 ] - [ -0.0005539400000000, 0.0027771300000000, -0.0017916000000000 ] - [ 0.0002058900000000, 0.0008345100000000, 0.0009714200000000 ] - [ -0.0008017900000000, 0.0014256700000000, 0.0000385800000000 ] - [ 0.0000030900000000, -0.0001045500000000, -0.0005479600000000 ] - [ 0.0000938500000000, 0.0002471300000000, -0.0000454100000000 ] - [ -0.0154980400000000, -0.0189687000000000, -0.0101888700000000 ] - [ 0.0004361100000000, -0.0000812200000000, -0.0000971600000000 ] - [ 0.0002328700000000, -0.0001602900000000, 0.0002252600000000 ] - [ 0.0004996600000000, -0.0003788900000000, 0.0007144200000000 ] - [ -0.0001912000000000, 0.0000721800000000, 0.0000422800000000 ] - [ 0.0004541700000000, 0.0000483900000000, 0.0015480000000000 ] - [ -0.0005914300000000, 0.0003307600000000, -0.0005797300000000 ] - [ 0.0004641900000000, -0.0002555500000000, 0.0003496900000000 ] - [ 0.0007249800000000, 0.0009973000000000, 0.0002505200000000 ] - [ 0.0132570000000000, 0.0070203700000000, 0.0029304300000000 ] - [ -0.0011982200000000, -0.0006697500000000, -0.0004616300000000 ] - [ 0.0010357300000000, -0.0001420500000000, -0.0000780600000000 ] - [ 0.0022977800000000, -0.0004829000000000, -0.0021087600000000 ] - [ 0.0010234200000000, 0.0003593700000000, -0.0000546700000000 ] - [ 0.0006154700000000, -0.0003654800000000, 0.0010914000000000 ] - [ -0.0005329200000000, 0.0000441500000000, 0.0002801000000000 ] - [ -0.0015573000000000, 0.0009243800000000, 0.0139884500000000 ] - [ 0.0006782400000000, -0.0000120100000000, -0.0001486200000000 ] - [ 0.0003392300000000, 0.0002671700000000, -0.0005377000000000 ] - [ -0.0017658700000000, -0.0054236200000000, -0.0006144700000000 ] - [ -0.0005163000000000, 0.0005681300000000, 0.0009170200000000 ] - [ -0.0000504500000000, -0.0001633500000000, -0.0007167400000000 ] - [ -0.0003889700000000, -0.0003860300000000, 0.0001955700000000 ] - [ 0.0004091000000000, -0.0005663100000000, 0.0014870300000000 ] - [ -0.1344623100000000, 0.2093439800000000, -0.0986519600000000 ] - [ 0.0005744900000000, -0.0010008000000000, 0.0002261900000000 ] - [ -0.0000373000000000, -0.0009770400000000, -0.0001642200000000 ] - [ 0.0002636400000000, -0.0013696700000000, 0.0007616400000000 ] - [ -0.0025755000000000, 0.0005029900000000, -0.0022203400000000 ] - [ 0.0008034900000000, 0.0002984300000000, 0.0001310300000000 ] - [ -0.0002819900000000, 0.0007161800000000, -0.0001515500000000 ] - [ 0.0004936000000000, 0.0011772900000000, 0.0006035700000000 ] - [ -0.0027125400000000, -0.0052493800000000, -0.0053799000000000 ] - [ 0.0009221800000000, -0.0000528000000000, 0.0010829000000000 ] - [ 0.0000226800000000, -0.0000380500000000, -0.0004650800000000 ] - [ 0.0000267400000000, 0.0011417300000000, 0.0023665300000000 ] - [ 0.0022000300000000, -0.0003227600000000, 0.0025870200000000 ] - [ -0.0008802300000000, -0.0000059100000000, -0.0016373900000000 ] - [ -0.0010290000000000, 0.0101114800000000, -0.0014549800000000 ] - [ 0.0013356100000000, 0.0008338700000000, 0.0006219100000000 ] - [ -0.0001831900000000, 0.0006422500000000, 0.0002253300000000 ] - [ -0.0010635400000000, 0.0008668600000000, -0.0017177800000000 ] - [ 0.0640472400000000, -0.0984210500000000, 0.0511855600000000 ] - [ -0.0011015300000000, -0.0000410700000000, 0.0001908100000000 ] - [ 0.0102334200000000, 0.0145968600000000, 0.0102506700000000 ] - [ -0.0018053200000000, -0.0001663000000000, -0.0001596600000000 ] - [ 0.0027778900000000, 0.0030859800000000, 0.0018884400000000 ] - [ -0.0008841200000000, 0.0004102900000000, -0.0013429700000000 ] - [ -0.0014112300000000, -0.0036381400000000, 0.0012471500000000 ] - [ -0.0087225300000000, -0.0026306900000000, 0.0015475100000000 ] - [ -0.0013353900000000, -0.0018180100000000, -0.0031305600000000 ] - [ -0.0000174700000000, -0.0006458500000000, -0.0001694300000000 ] - [ -0.0027816400000000, 0.0055439100000000, 0.0139407400000000 ] - [ -0.0008904300000000, 0.0003027400000000, -0.0009572800000000 ] - [ 0.0005471600000000, -0.0002176700000000, -0.0019385900000000 ] - [ 0.0005268200000000, 0.0006305100000000, -0.0002891900000000 ] - [ 0.0032070300000000, -0.0003716700000000, 0.0013430500000000 ] - [ -0.0024946200000000, -0.0001659000000000, -0.0026719100000000 ] - [ 0.0032835900000000, -0.0103624100000000, -0.0058777600000000 ] - [ -0.0014116900000000, -0.0002957200000000, 0.0007469500000000 ] - [ -0.0023814900000000, -0.0000548800000000, -0.0006001000000000 ] - [ -0.0018009500000000, 0.0151280000000000, 0.0072926600000000 ] - [ 0.0007031900000000, -0.0006412200000000, 0.0004971800000000 ] - [ -0.0001487700000000, -0.0009365000000000, -0.0008966300000000 ] - [ 0.0191778400000000, -0.0442491400000000, 0.0081143000000000 ] - [ -0.0014866800000000, 0.0006189400000000, 0.0001359200000000 ] - [ 0.0019970200000000, -0.0001357100000000, 0.0005388600000000 ] - [ -0.0021190800000000, -0.0001975100000000, -0.0028228800000000 ] - [ -0.0117883800000000, 0.0123918000000000, 0.0037596400000000 ] - [ -0.0017207300000000, -0.0006752700000000, 0.0013816600000000 ] - [ 0.0016032800000000, -0.0010586800000000, 0.0016328100000000 ] - [ -0.0003405900000000, 0.0003586700000000, -0.0018588000000000 ] - [ 0.0139599000000000, 0.0215460600000000, -0.0057011600000000 ] - [ -0.0020498100000000, 0.0006467900000000, -0.0009428500000000 ] - [ 0.0005029200000000, -0.0002006800000000, 0.0009750800000000 ] - [ -0.0010597000000000, 0.0003027600000000, -0.0014274100000000 ] - [ -0.0015582700000000, -0.0046017400000000, -0.0017936900000000 ] - [ -0.0024484000000000, -0.0015002700000000, 0.0012226300000000 ] - [ -0.0003702700000000, 0.0006109600000000, -0.0007820000000000 ] - [ 0.0011354100000000, 0.0014247100000000, -0.0002769500000000 ]- atom: 89 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0002931300000000, -0.0000925500000000, 0.0001303100000000 ] - [ 0.0002995000000000, -0.0000463500000000, -0.0002183700000000 ] - [ 0.0003480100000000, 0.0000238500000000, -0.0003305000000000 ] - [ -0.0001913500000000, -0.0000135900000000, 0.0000027800000000 ] - [ -0.0024819500000000, 0.0002934200000000, 0.0039984400000000 ] - [ 0.0004112000000000, 0.0000118300000000, -0.0000587900000000 ] - [ 0.0000226900000000, -0.0000202800000000, -0.0001576200000000 ] - [ -0.0005961900000000, 0.0006166100000000, 0.0002651100000000 ] - [ -0.0007235100000000, -0.0011362100000000, -0.0001387800000000 ] - [ 0.0001334600000000, -0.0004561400000000, -0.0003996100000000 ] - [ -0.0002203400000000, 0.0010930600000000, 0.0000989700000000 ] - [ 0.0011045700000000, 0.0000934700000000, -0.0009591000000000 ] - [ 0.0009234900000000, 0.0029847500000000, -0.0011290500000000 ] - [ -0.0010305900000000, 0.0002294600000000, 0.0007916400000000 ] - [ -0.0011877700000000, 0.0000137900000000, 0.0013938000000000 ] - [ -0.0002083300000000, -0.0006930900000000, 0.0006867500000000 ] - [ 0.0095821300000000, -0.0255720700000000, 0.0140903100000000 ] - [ 0.0001615400000000, -0.0007915800000000, -0.0004590400000000 ] - [ -0.0006696800000000, -0.0002242300000000, -0.0004792500000000 ] - [ -0.0010139100000000, 0.0003909300000000, -0.0014470500000000 ] - [ 0.0003347300000000, 0.0009305000000000, 0.0019503800000000 ] - [ -0.0001391000000000, -0.0001383500000000, 0.0001474700000000 ] - [ 0.0002826400000000, -0.0002764800000000, 0.0023866400000000 ] - [ 0.0002746400000000, -0.0001461800000000, 0.0008854300000000 ] - [ -0.0030776200000000, 0.0012661300000000, 0.0002252400000000 ] - [ -0.0007192300000000, 0.0005427900000000, -0.0003428800000000 ] - [ 0.0000098800000000, -0.0002165800000000, 0.0003384000000000 ] - [ -0.0009139400000000, -0.0004334000000000, 0.0005633200000000 ] - [ -0.0016167500000000, -0.0002932900000000, 0.0002235100000000 ] - [ 0.0001677500000000, -0.0003552400000000, -0.0005239700000000 ] - [ -0.0008997900000000, -0.0004373100000000, 0.0007011200000000 ] - [ 0.0006048200000000, 0.0003734900000000, -0.0001856200000000 ] - [ -0.0230567100000000, 0.0221514400000000, -0.0086103900000000 ] - [ -0.0005217900000000, 0.0002650600000000, 0.0000525300000000 ] - [ -0.0007435100000000, -0.0004462900000000, 0.0006161100000000 ] - [ 0.0004249600000000, 0.0000074800000000, -0.0000352700000000 ] - [ 0.0023767200000000, -0.0028394100000000, -0.0018108500000000 ] - [ -0.0004949200000000, 0.0001501200000000, 0.0002333700000000 ] - [ -0.0008173900000000, 0.0001230200000000, 0.0005743400000000 ] - [ -0.0006202100000000, 0.0000055900000000, 0.0001108400000000 ] - [ 0.0004831600000000, 0.0003150000000000, 0.0017195500000000 ] - [ -0.0000804700000000, 0.0001165500000000, -0.0001573100000000 ] - [ -0.0007494100000000, -0.0005468600000000, 0.0010424200000000 ] - [ 0.0004223000000000, 0.0003184200000000, -0.0001334000000000 ] - [ 0.0007114100000000, 0.0002581100000000, 0.0004611200000000 ] - [ 0.0004859100000000, 0.0000754900000000, 0.0001122100000000 ] - [ -0.0011061300000000, -0.0006663200000000, 0.0009781500000000 ] - [ -0.0005447900000000, 0.0000443200000000, 0.0001789400000000 ] - [ -0.0026945500000000, 0.0045175600000000, 0.0004804400000000 ] - [ -0.0002553600000000, 0.0002082600000000, -0.0007020700000000 ] - [ -0.0000498700000000, 0.0000848800000000, 0.0019592100000000 ] - [ 0.0000242200000000, 0.0002959800000000, 0.0015206500000000 ] - [ 0.0005727500000000, -0.0006645800000000, -0.0007539400000000 ] - [ -0.0004354100000000, -0.0001459500000000, 0.0008021700000000 ] - [ -0.0006987300000000, -0.0003878300000000, 0.0007218200000000 ] - [ -0.0000727700000000, -0.0002045000000000, -0.0008617800000000 ] - [ -0.0002990400000000, 0.0013472700000000, -0.0011661800000000 ] - [ -0.0004849100000000, 0.0000470700000000, -0.0002561200000000 ] - [ -0.0002640600000000, -0.0004628000000000, 0.0005545000000000 ] - [ 0.0013645400000000, 0.0012671300000000, 0.0051661600000000 ] - [ 0.0003497700000000, -0.0003142800000000, 0.0000270700000000 ] - [ -0.0007896800000000, 0.0006320600000000, 0.0005887000000000 ] - [ -0.0001887200000000, 0.0002148200000000, 0.0001020200000000 ] - [ 0.0003920300000000, 0.0005450200000000, -0.0003220500000000 ] - [ 0.0008691100000000, -0.0018195100000000, -0.0028565500000000 ] - [ -0.0009733500000000, -0.0005735500000000, -0.0006404900000000 ] - [ 0.0000648300000000, -0.0003084700000000, 0.0006563100000000 ] - [ 0.0013698000000000, -0.0006582700000000, 0.0008630100000000 ] - [ 0.0000635600000000, -0.0000416800000000, 0.0014385200000000 ] - [ 0.0002894300000000, 0.0001166500000000, 0.0004974400000000 ] - [ -0.0007600600000000, 0.0003990300000000, -0.0001386000000000 ] - [ 0.0001181700000000, 0.0002080100000000, -0.0002276000000000 ] - [ -0.0012616100000000, -0.0003147100000000, 0.0000586300000000 ] - [ -0.0036143400000000, 0.0012114400000000, -0.0034911000000000 ] - [ 0.0006892500000000, 0.0003039500000000, 0.0000449800000000 ] - [ 0.0001145900000000, 0.0001529100000000, -0.0002224300000000 ] - [ -0.0012111000000000, -0.0005997200000000, 0.0001006200000000 ] - [ 0.0010672800000000, 0.0001254700000000, -0.0003099000000000 ] - [ 0.0006598200000000, -0.0003810800000000, 0.0006892000000000 ] - [ -0.0008180700000000, -0.0000535600000000, 0.0005414700000000 ] - [ 0.0032592000000000, -0.0047355600000000, 0.0036362800000000 ] - [ 0.0001063200000000, 0.0002288900000000, 0.0004727500000000 ] - [ -0.0008662600000000, -0.0001364600000000, 0.0005101500000000 ] - [ 0.0006833400000000, 0.0014572600000000, -0.0018685300000000 ] - [ -0.0000425200000000, -0.0001437800000000, -0.0002988900000000 ] - [ -0.0007979000000000, 0.0002129000000000, 0.0008509900000000 ] - [ -0.0005598500000000, -0.0005184500000000, 0.0011996300000000 ] - [ 0.0006080700000000, 0.0000857700000000, -0.0006522600000000 ] - [ 0.0236782300000000, 0.0025931700000000, -0.0624278100000000 ] - [ -0.0005397200000000, -0.0005213500000000, -0.0001426900000000 ] - [ -0.0001644600000000, -0.0007814100000000, 0.0002419400000000 ] - [ 0.0008025900000000, -0.0001932500000000, 0.0002245100000000 ] - [ 0.0006506800000000, 0.0010050600000000, -0.0006246800000000 ] - [ -0.0004724300000000, 0.0010254700000000, -0.0000953200000000 ] - [ -0.0003609300000000, 0.0007055000000000, 0.0003337300000000 ] - [ 0.0003941600000000, 0.0008814400000000, 0.0001536400000000 ] - [ -0.0006506100000000, -0.0008819200000000, -0.0019512700000000 ] - [ -0.0004495500000000, -0.0002377900000000, 0.0000334500000000 ] - [ 0.0000287000000000, -0.0001904600000000, 0.0002971800000000 ] - [ 0.0004729900000000, -0.0006102900000000, 0.0017726200000000 ] - [ -0.0013476300000000, 0.0001311100000000, -0.0028200300000000 ] - [ -0.0007535400000000, -0.0000354300000000, -0.0008013800000000 ] - [ 0.0115745700000000, 0.0005411700000000, -0.0024695700000000 ] - [ -0.0002773900000000, 0.0000891400000000, 0.0002228000000000 ] - [ 0.0006903600000000, 0.0002241600000000, -0.0013203700000000 ] - [ -0.0015173400000000, 0.0001952400000000, -0.0002440400000000 ] - [ -0.0154048100000000, -0.0087125100000000, 0.0513153000000000 ] - [ 0.0013842000000000, 0.0004226600000000, 0.0001410200000000 ] - [ -0.0031108700000000, -0.0003736700000000, 0.0038247700000000 ] - [ 0.0006646300000000, -0.0002533400000000, -0.0001885700000000 ] - [ -0.0002082500000000, -0.0005046100000000, -0.0022131100000000 ] - [ 0.0003301800000000, 0.0001745900000000, -0.0001170200000000 ] - [ 0.0014536400000000, 0.0015363200000000, 0.0015545500000000 ] - [ 0.0025824500000000, 0.0004643400000000, 0.0008846500000000 ] - [ -0.0013857900000000, -0.0006306700000000, -0.0020384700000000 ] - [ 0.0004006000000000, -0.0001750200000000, -0.0006374500000000 ] - [ 0.0020506900000000, -0.0003542100000000, -0.0043368700000000 ] - [ -0.0003222500000000, 0.0000132800000000, -0.0003823600000000 ] - [ -0.0004446400000000, 0.0000602800000000, -0.0007443100000000 ] - [ 0.0009396700000000, 0.0000132700000000, -0.0020597000000000 ] - [ 0.0023991600000000, 0.0005014100000000, 0.0001491400000000 ] - [ -0.0001766100000000, 0.0008116000000000, 0.0029886400000000 ] - [ -0.0000893900000000, 0.0010552300000000, -0.0047996000000000 ] - [ -0.0001602100000000, -0.0000983400000000, 0.0000149400000000 ] - [ 0.0023235600000000, 0.0000836600000000, -0.0008572300000000 ] - [ 0.0002901100000000, -0.0010576100000000, 0.0024961700000000 ] - [ 0.0015092300000000, -0.0004368400000000, -0.0010796100000000 ] - [ -0.0008477400000000, 0.0001318700000000, 0.0000064900000000 ] - [ -0.0106295000000000, 0.0059475800000000, 0.0111501500000000 ] - [ 0.0012545400000000, 0.0003820200000000, 0.0006367800000000 ] - [ 0.0021361700000000, 0.0004810200000000, -0.0021581200000000 ] - [ -0.0006145100000000, -0.0004433500000000, 0.0005822500000000 ] - [ 0.0075832800000000, -0.0065838700000000, -0.0002997900000000 ] - [ 0.0013150100000000, -0.0000507600000000, 0.0008666600000000 ] - [ 0.0004025000000000, 0.0001249200000000, -0.0021129200000000 ] - [ -0.0003097900000000, 0.0007045200000000, -0.0013068200000000 ] - [ 0.0041246500000000, 0.0081468300000000, -0.0028196700000000 ] - [ 0.0005018600000000, 0.0002842300000000, -0.0003347600000000 ] - [ 0.0013321300000000, -0.0003417000000000, -0.0012682800000000 ] - [ -0.0011670100000000, -0.0003797300000000, 0.0004813200000000 ] - [ -0.0025257200000000, -0.0009122200000000, 0.0004141800000000 ] - [ 0.0019775200000000, -0.0004720400000000, -0.0010972600000000 ] - [ 0.0007403600000000, 0.0006186300000000, -0.0016571100000000 ] - [ -0.0024326400000000, -0.0021677900000000, -0.0014772800000000 ]- atom: 89 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0000747800000000, 0.0001166600000000, -0.0001465200000000 ] - [ -0.0005174500000000, 0.0000696500000000, 0.0002012800000000 ] - [ -0.0001284400000000, -0.0000006800000000, 0.0003470500000000 ] - [ 0.0004114400000000, 0.0000354000000000, 0.0000178100000000 ] - [ 0.0027192400000000, -0.0002921400000000, -0.0039429900000000 ] - [ -0.0001912600000000, -0.0000351500000000, 0.0000751500000000 ] - [ -0.0002415800000000, -0.0000023000000000, 0.0001394500000000 ] - [ 0.0003775100000000, -0.0006407700000000, -0.0002836400000000 ] - [ 0.0019241900000000, 0.0011795600000000, -0.0002076600000000 ] - [ 0.0010689700000000, 0.0005010500000000, 0.0000479500000000 ] - [ 0.0014249600000000, -0.0001295600000000, -0.0014417200000000 ] - [ 0.0000960800000000, 0.0008722100000000, -0.0003837400000000 ] - [ -0.0021237100000000, -0.0020181900000000, 0.0024706400000000 ] - [ -0.0001734100000000, 0.0007342600000000, 0.0005504700000000 ] - [ -0.0000131000000000, -0.0009789000000000, -0.0000520100000000 ] - [ -0.0009954000000000, -0.0002713000000000, 0.0006534700000000 ] - [ -0.0082741400000000, 0.0243219500000000, -0.0153046800000000 ] - [ 0.0010384100000000, -0.0001745100000000, -0.0008829300000000 ] - [ 0.0005494700000000, 0.0002142500000000, -0.0005182800000000 ] - [ 0.0008866800000000, -0.0003967300000000, 0.0004393800000000 ] - [ -0.0002051800000000, -0.0009330700000000, -0.0009364400000000 ] - [ 0.0002647000000000, 0.0001312400000000, 0.0008562900000000 ] - [ -0.0001546300000000, 0.0002829400000000, -0.0013779100000000 ] - [ -0.0001524300000000, 0.0001549900000000, 0.0001139800000000 ] - [ 0.0020633500000000, -0.0006242400000000, 0.0001658800000000 ] - [ -0.0002859800000000, 0.0000961500000000, 0.0007314400000000 ] - [ -0.0010123200000000, -0.0004243900000000, 0.0000484900000000 ] - [ -0.0000942400000000, -0.0002072600000000, -0.0001762200000000 ] - [ 0.0026244100000000, -0.0003491100000000, -0.0006121100000000 ] - [ 0.0008334400000000, -0.0002827400000000, 0.0001344400000000 ] - [ 0.0009334000000000, 0.0006275700000000, -0.0005858500000000 ] - [ -0.0005755400000000, -0.0001853800000000, 0.0003007800000000 ] - [ 0.0231468600000000, -0.0221434300000000, 0.0085686200000000 ] - [ 0.0004890500000000, -0.0000753400000000, -0.0001681700000000 ] - [ 0.0007142500000000, 0.0002578200000000, -0.0007319900000000 ] - [ -0.0004578900000000, -0.0001963200000000, -0.0000822800000000 ] - [ -0.0023370700000000, 0.0026456400000000, 0.0019237300000000 ] - [ 0.0005239500000000, -0.0003382500000000, -0.0001180100000000 ] - [ -0.0003850400000000, -0.0000738800000000, -0.0002228600000000 ] - [ -0.0005840400000000, 0.0000405600000000, 0.0002395300000000 ] - [ -0.0006067800000000, -0.0003059100000000, -0.0027263300000000 ] - [ -0.0000482200000000, -0.0001117300000000, -0.0008535900000000 ] - [ 0.0017630000000000, 0.0011946000000000, -0.0014397600000000 ] - [ 0.0005840900000000, 0.0003225300000000, -0.0002557800000000 ] - [ 0.0004952100000000, -0.0003051900000000, -0.0008141000000000 ] - [ 0.0007172000000000, -0.0001206800000000, -0.0004654800000000 ] - [ -0.0000948200000000, 0.0006265300000000, -0.0006235300000000 ] - [ -0.0006621600000000, -0.0000919700000000, 0.0001711200000000 ] - [ 0.0022722900000000, -0.0040540500000000, -0.0019152200000000 ] - [ -0.0001476800000000, 0.0002130600000000, -0.0007338100000000 ] - [ 0.0004515200000000, 0.0003364400000000, -0.0005236100000000 ] - [ 0.0003775200000000, 0.0001243600000000, -0.0000893500000000 ] - [ -0.0001800000000000, 0.0002435800000000, 0.0022044700000000 ] - [ 0.0008341500000000, -0.0002750900000000, 0.0006339100000000 ] - [ 0.0002989000000000, -0.0000329600000000, -0.0021572100000000 ] - [ -0.0003272800000000, -0.0002163600000000, -0.0005774800000000 ] - [ 0.0005067400000000, -0.0020929200000000, 0.0004697500000000 ] - [ 0.0006857000000000, -0.0007805700000000, -0.0004205100000000 ] - [ 0.0000614800000000, -0.0002717100000000, 0.0001230400000000 ] - [ -0.0015878700000000, -0.0020195900000000, -0.0045514500000000 ] - [ -0.0005603300000000, 0.0010570600000000, 0.0006458100000000 ] - [ 0.0005860900000000, 0.0001028400000000, 0.0000885200000000 ] - [ 0.0003912200000000, 0.0005204400000000, -0.0007798800000000 ] - [ -0.0001890100000000, 0.0001872800000000, -0.0003581400000000 ] - [ -0.0017094200000000, 0.0010519400000000, 0.0019999400000000 ] - [ 0.0001235500000000, -0.0001893000000000, -0.0002225700000000 ] - [ 0.0007847200000000, -0.0004547600000000, 0.0002066400000000 ] - [ -0.0005280100000000, -0.0001019700000000, -0.0000052600000000 ] - [ 0.0000877400000000, 0.0003308600000000, -0.0006708400000000 ] - [ -0.0001392900000000, 0.0001714100000000, 0.0002663700000000 ] - [ -0.0000859100000000, 0.0003626700000000, -0.0007230300000000 ] - [ -0.0009686800000000, 0.0005556600000000, -0.0006372700000000 ] - [ 0.0005962800000000, 0.0006151900000000, 0.0005010700000000 ] - [ 0.0029599700000000, -0.0009070900000000, 0.0040398100000000 ] - [ -0.0000217900000000, -0.0000032600000000, -0.0006016400000000 ] - [ 0.0005489600000000, 0.0001496900000000, -0.0003352100000000 ] - [ 0.0018717600000000, 0.0002967400000000, -0.0006564900000000 ] - [ -0.0004162600000000, -0.0004345100000000, -0.0002505600000000 ] - [ -0.0013217600000000, 0.0000798100000000, -0.0001340900000000 ] - [ 0.0001545000000000, -0.0002489800000000, 0.0000143600000000 ] - [ -0.0026502100000000, 0.0049419800000000, -0.0034749700000000 ] - [ 0.0005311900000000, -0.0000567500000000, -0.0002857100000000 ] - [ 0.0002267500000000, 0.0003074400000000, -0.0006942100000000 ] - [ -0.0013224500000000, -0.0012897500000000, 0.0016868800000000 ] - [ -0.0005934100000000, -0.0000342200000000, 0.0001008400000000 ] - [ 0.0001595700000000, -0.0003846200000000, -0.0010375400000000 ] - [ 0.0011975400000000, 0.0003464700000000, -0.0010133300000000 ] - [ 0.0000308200000000, -0.0002541800000000, 0.0008330300000000 ] - [ -0.0233074100000000, -0.0041758100000000, 0.0632329500000000 ] - [ 0.0003476900000000, -0.0009038000000000, 0.0001177800000000 ] - [ 0.0003558500000000, -0.0006428200000000, -0.0002172900000000 ] - [ -0.0006159700000000, -0.0012362800000000, -0.0002027000000000 ] - [ -0.0004572300000000, 0.0004096000000000, 0.0006491300000000 ] - [ 0.0006597600000000, 0.0004021300000000, 0.0001173700000000 ] - [ 0.0001725100000000, 0.0007207300000000, -0.0003574600000000 ] - [ -0.0005866400000000, 0.0005431300000000, -0.0001811100000000 ] - [ 0.0008041500000000, 0.0005937600000000, 0.0027209600000000 ] - [ 0.0005987200000000, -0.0000505300000000, 0.0007353800000000 ] - [ -0.0001783700000000, -0.0000981000000000, -0.0010654700000000 ] - [ -0.0006262200000000, 0.0003265400000000, -0.0025521100000000 ] - [ 0.0011945900000000, 0.0001608000000000, 0.0020501800000000 ] - [ 0.0006015700000000, 0.0003228300000000, 0.0000300700000000 ] - [ -0.0107616200000000, 0.0002379700000000, 0.0032566300000000 ] - [ 0.0011219500000000, 0.0006715000000000, 0.0006373700000000 ] - [ -0.0014191400000000, 0.0002475700000000, 0.0009751400000000 ] - [ 0.0007966000000000, 0.0002765200000000, -0.0000967700000000 ] - [ 0.0151928000000000, 0.0099980200000000, -0.0519093100000000 ] - [ -0.0006532000000000, 0.0000504600000000, 0.0002033200000000 ] - [ 0.0023716000000000, -0.0000948600000000, -0.0041693700000000 ] - [ -0.0013860100000000, -0.0002189800000000, -0.0001547300000000 ] - [ 0.0004251600000000, 0.0006425100000000, 0.0015399100000000 ] - [ -0.0001064200000000, -0.0000317600000000, -0.0005488900000000 ] - [ -0.0016760100000000, -0.0013867200000000, -0.0009054200000000 ] - [ -0.0028043800000000, -0.0003239800000000, -0.0002115900000000 ] - [ 0.0011600900000000, 0.0004880100000000, 0.0027091800000000 ] - [ -0.0006217600000000, 0.0000333100000000, 0.0013121500000000 ] - [ -0.0018248500000000, 0.0002100200000000, 0.0036512000000000 ] - [ 0.0005575300000000, -0.0001565500000000, -0.0002839300000000 ] - [ 0.0011417900000000, 0.0001339300000000, -0.0005814100000000 ] - [ -0.0002360200000000, 0.0001733700000000, 0.0007256800000000 ] - [ -0.0030968700000000, -0.0003123300000000, 0.0011860900000000 ] - [ -0.0005167000000000, -0.0006349800000000, -0.0016501500000000 ] - [ -0.0006046400000000, -0.0012640400000000, 0.0061563200000000 ] - [ -0.0005413900000000, -0.0000893400000000, 0.0013190200000000 ] - [ -0.0016157700000000, -0.0002703200000000, -0.0004802000000000 ] - [ 0.0004100000000000, 0.0008780800000000, -0.0038303500000000 ] - [ -0.0007861700000000, -0.0000338200000000, 0.0014223100000000 ] - [ 0.0015806500000000, -0.0006056800000000, 0.0003426300000000 ] - [ 0.0110080200000000, -0.0053105200000000, -0.0100585600000000 ] - [ -0.0010128900000000, 0.0005333200000000, 0.0003726300000000 ] - [ -0.0026415800000000, -0.0012520600000000, 0.0016109500000000 ] - [ 0.0001265200000000, -0.0003215900000000, -0.0011264600000000 ] - [ -0.0070690200000000, 0.0057992200000000, 0.0008246000000000 ] - [ -0.0008194400000000, -0.0007115000000000, -0.0003183300000000 ] - [ 0.0000823000000000, 0.0006405500000000, 0.0026560800000000 ] - [ 0.0008073100000000, 0.0000588800000000, 0.0018639000000000 ] - [ -0.0046367900000000, -0.0073929900000000, 0.0022753200000000 ] - [ -0.0009859000000000, 0.0004801000000000, -0.0002098300000000 ] - [ -0.0010950100000000, -0.0005736100000000, 0.0022785100000000 ] - [ 0.0014071400000000, -0.0005357500000000, 0.0005376400000000 ] - [ 0.0023427400000000, 0.0000312900000000, -0.0014087500000000 ] - [ -0.0022083600000000, -0.0004438000000000, 0.0000867800000000 ] - [ -0.0009794500000000, 0.0002966400000000, 0.0006433500000000 ] - [ 0.0022047800000000, 0.0031030200000000, 0.0004722200000000 ]- atom: 105 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0003853600000000, -0.0000636000000000, -0.0009445200000000 ] - [ -0.0008729200000000, 0.0011867100000000, 0.0032852800000000 ] - [ -0.0003192900000000, -0.0002621400000000, 0.0014807800000000 ] - [ 0.0014977700000000, 0.0000025800000000, -0.0005447200000000 ] - [ 0.0006692500000000, -0.0001120000000000, -0.0007876800000000 ] - [ -0.0010999600000000, 0.0014466400000000, 0.0020156700000000 ] - [ 0.0067485000000000, -0.0037433700000000, 0.0115206100000000 ] - [ 0.0017828800000000, 0.0001230600000000, -0.0005453800000000 ] - [ 0.0022818000000000, -0.0022454900000000, 0.0013397300000000 ] - [ -0.0001381200000000, -0.0001173100000000, -0.0008925600000000 ] - [ 0.0107813100000000, -0.0137726400000000, -0.0068391600000000 ] - [ -0.0023787000000000, 0.0024059900000000, 0.0004433100000000 ] - [ -0.0014953700000000, -0.0004947600000000, 0.0028525500000000 ] - [ -0.0008103600000000, 0.0008951200000000, -0.0008619900000000 ] - [ 0.1138803700000000, -0.0806102200000000, -0.0875711100000000 ] - [ -0.0035506200000000, 0.0012989900000000, 0.0017283100000000 ] - [ -0.0001812700000000, -0.0013774900000000, 0.0011923800000000 ] - [ 0.0004639300000000, -0.0000725300000000, -0.0020966900000000 ] - [ 0.0039163800000000, -0.0072154200000000, 0.0119358500000000 ] - [ -0.0018857300000000, 0.0010213100000000, -0.0031280900000000 ] - [ 0.0016178300000000, 0.0037692700000000, 0.0084701600000000 ] - [ -0.0041392100000000, -0.0018554900000000, -0.0039677500000000 ] - [ 0.0037886000000000, -0.0017332000000000, 0.0127140500000000 ] - [ -0.0016782100000000, 0.0009561800000000, -0.0021176900000000 ] - [ 0.0057954900000000, 0.0002014900000000, -0.0004097000000000 ] - [ -0.0020316900000000, 0.0004838300000000, 0.0002083600000000 ] - [ -0.0092889600000000, -0.0009733800000000, 0.0023090900000000 ] - [ -0.0073402100000000, -0.0026468700000000, -0.0011926600000000 ] - [ 0.0051186100000000, -0.0004211800000000, -0.0013715500000000 ] - [ -0.0004358600000000, -0.0003058900000000, -0.0001228600000000 ] - [ 0.1479324000000000, 0.0773457800000000, -0.1093529000000000 ] - [ -0.0035063400000000, -0.0013543100000000, 0.0010230300000000 ] - [ -0.0011232500000000, 0.0008301900000000, 0.0017080400000000 ] - [ -0.0003954300000000, -0.0001700500000000, -0.0014409000000000 ] - [ 0.0132699900000000, 0.0102325300000000, -0.0039967600000000 ] - [ -0.0033851600000000, -0.0015334200000000, 0.0008573200000000 ] - [ -0.0010219900000000, 0.0004616400000000, 0.0018610200000000 ] - [ -0.0003786000000000, -0.0003074100000000, -0.0013966900000000 ] - [ -0.0075743100000000, 0.0038258100000000, 0.0039077700000000 ] - [ -0.0040341100000000, 0.0020066900000000, -0.0001798300000000 ] - [ 0.0019627000000000, 0.0018402000000000, 0.0065922900000000 ] - [ -0.0029596100000000, -0.0013618400000000, -0.0041120200000000 ] - [ -0.0086821700000000, -0.0037197800000000, 0.0011984300000000 ] - [ -0.0049710000000000, -0.0012819600000000, -0.0012633000000000 ] - [ -0.0012724100000000, 0.0041086900000000, 0.0027072800000000 ] - [ -0.0017493100000000, 0.0011631500000000, -0.0005958700000000 ] - [ 0.0011098100000000, -0.0020870000000000, 0.0018812800000000 ] - [ -0.0011488000000000, 0.0000230200000000, -0.0005650600000000 ] - [ -0.0004317500000000, 0.0001057100000000, 0.0035223700000000 ] - [ 0.0007092300000000, 0.0001245600000000, -0.0034102200000000 ] - [ -0.0047054900000000, -0.0043106200000000, 0.0098626100000000 ] - [ -0.0023856100000000, 0.0001429900000000, 0.0016447100000000 ] - [ -0.0000467900000000, -0.0002010500000000, 0.0054910200000000 ] - [ 0.0008393300000000, -0.0004092100000000, -0.0016829900000000 ] - [ -0.0080191400000000, 0.0019405200000000, 0.0063764900000000 ] - [ -0.0039104000000000, -0.0007619500000000, 0.0015657900000000 ] - [ -0.0007475100000000, -0.0002572300000000, 0.0006807500000000 ] - [ 0.0020166200000000, 0.0018836600000000, -0.0056851000000000 ] - [ -0.0017246200000000, -0.0074194300000000, -0.0040359300000000 ] - [ -0.0025893500000000, -0.0018771300000000, 0.0010170700000000 ] - [ -0.0007360700000000, 0.0004062300000000, 0.0014398300000000 ] - [ 0.0008232900000000, 0.0023524100000000, -0.0016945200000000 ] - [ -0.0053527100000000, -0.0049796000000000, -0.0056653300000000 ] - [ -0.0024795600000000, -0.0011241100000000, 0.0005259400000000 ] - [ -0.0006148300000000, -0.0000996800000000, 0.0009666100000000 ] - [ -0.0019945500000000, -0.0012557600000000, -0.0024493800000000 ] - [ 0.0178750800000000, -0.0104439900000000, 0.0074777200000000 ] - [ -0.0033405000000000, 0.0011846400000000, -0.0009136900000000 ] - [ -0.0070039300000000, -0.0030276200000000, -0.0073197900000000 ] - [ -0.0027490400000000, 0.0006112900000000, -0.0007916800000000 ] - [ 0.1006554900000000, -0.0819134500000000, 0.0697121900000000 ] - [ -0.0041160800000000, 0.0018350400000000, -0.0016600800000000 ] - [ 0.0052400900000000, 0.0003495800000000, 0.0013084800000000 ] - [ -0.0017053100000000, 0.0000446300000000, 0.0002450800000000 ] - [ -0.0062591600000000, 0.0030186800000000, 0.0011407700000000 ] - [ -0.0101363800000000, 0.0004398200000000, -0.0031472500000000 ] - [ 0.0051288100000000, -0.0002548900000000, 0.0000680200000000 ] - [ -0.0006412000000000, -0.0000910400000000, -0.0002135900000000 ] - [ -0.0047345300000000, 0.0013146900000000, 0.0017148200000000 ] - [ -0.0074835200000000, 0.0041424100000000, -0.0017965600000000 ] - [ -0.0023261400000000, 0.0010245300000000, 0.0033142100000000 ] - [ 0.0007495300000000, -0.0002416800000000, -0.0063409600000000 ] - [ 0.0024866600000000, -0.0007812800000000, -0.0125228900000000 ] - [ -0.0017768300000000, -0.0006057500000000, 0.0020705000000000 ] - [ -0.0034691600000000, 0.0015404300000000, 0.0038239400000000 ] - [ 0.0006742400000000, -0.0031961200000000, -0.0067316200000000 ] - [ 0.0026973800000000, 0.0049271900000000, -0.0111168800000000 ] - [ -0.0009684600000000, -0.0008962600000000, 0.0024608000000000 ] - [ -0.0001845600000000, -0.0008946000000000, 0.0012104700000000 ] - [ -0.0009704300000000, -0.0000044000000000, -0.0020379800000000 ] - [ 0.1525490200000000, 0.0637565100000000, 0.0891884700000000 ] - [ -0.0029460900000000, -0.0021912400000000, -0.0008745700000000 ] - [ 0.0001562600000000, 0.0003720300000000, 0.0014544200000000 ] - [ -0.0009209600000000, 0.0012311900000000, -0.0021812100000000 ] - [ 0.0072452300000000, 0.0114332200000000, 0.0017931700000000 ] - [ -0.0029285500000000, -0.0007428300000000, -0.0007452200000000 ] - [ 0.0004454800000000, -0.0001386300000000, 0.0024347700000000 ] - [ 0.0000830000000000, -0.0001648000000000, -0.0042858300000000 ] - [ -0.0042838900000000, 0.0042758600000000, -0.0057887700000000 ] - [ -0.0027334800000000, 0.0000863900000000, -0.0016412100000000 ] - [ 0.0005925000000000, 0.0002552900000000, 0.0022069300000000 ] - [ -0.0004921600000000, 0.0003535000000000, -0.0051126900000000 ] - [ 0.0004582200000000, 0.0008289900000000, 0.0018594800000000 ] - [ -0.0010948800000000, -0.0005796500000000, -0.0014265700000000 ] - [ -0.6101173700000000, 0.0107887800000000, 0.0302530000000000 ] - [ 0.0061542300000000, -0.0002637200000000, -0.0002315200000000 ] - [ 0.0016349800000000, 0.0000381500000000, -0.0036309300000000 ] - [ 0.0021653200000000, 0.0005193100000000, 0.0041210900000000 ] - [ 0.0009671500000000, -0.0000756300000000, -0.0043649400000000 ] - [ 0.0016227800000000, -0.0000434700000000, 0.0041509000000000 ] - [ 0.0099277100000000, -0.0081411000000000, -0.0131479200000000 ] - [ 0.0128040100000000, -0.0002307000000000, 0.0011301400000000 ] - [ -0.0089999100000000, 0.0063998600000000, -0.0093109600000000 ] - [ 0.0019390800000000, -0.0005751300000000, 0.0031749100000000 ] - [ 0.0041575600000000, -0.0017690300000000, -0.0112972100000000 ] - [ 0.0081167100000000, -0.0002050400000000, 0.0021152400000000 ] - [ -0.0082300700000000, 0.0049771900000000, -0.0097684600000000 ] - [ 0.0016743500000000, -0.0008298200000000, 0.0026296400000000 ] - [ 0.0108488900000000, -0.0006797800000000, -0.0029173600000000 ] - [ 0.0098964700000000, 0.0073541400000000, 0.0105678900000000 ] - [ -0.0060442000000000, -0.0059741600000000, 0.0091947000000000 ] - [ 0.0007541300000000, 0.0007289700000000, -0.0020985500000000 ] - [ 0.0086426600000000, -0.0005273200000000, -0.0010561200000000 ] - [ 0.0058112000000000, 0.0017780800000000, 0.0082268900000000 ] - [ -0.0084640300000000, -0.0040300100000000, 0.0103482000000000 ] - [ 0.0022048800000000, 0.0004569600000000, -0.0030764100000000 ] - [ -0.0304612500000000, 0.0020637200000000, 0.0022594100000000 ] - [ 0.0066490100000000, -0.0009293300000000, 0.0000665200000000 ] - [ 0.0028202600000000, 0.0002888000000000, -0.0046794100000000 ] - [ -0.0031223100000000, -0.0024894400000000, 0.0078558100000000 ] - [ 0.0370023500000000, 0.0407984300000000, -0.0173900200000000 ] - [ 0.0085416400000000, -0.0010589700000000, 0.0012193400000000 ] - [ -0.0034303300000000, -0.0000763900000000, -0.0078129400000000 ] - [ 0.0035243200000000, 0.0001949300000000, 0.0065173800000000 ] - [ 0.0181669500000000, -0.0375053900000000, -0.0211321500000000 ] - [ 0.0088713100000000, 0.0010634600000000, 0.0019052400000000 ] - [ -0.0038067900000000, 0.0018306600000000, -0.0069526600000000 ] - [ 0.0023460800000000, 0.0007609500000000, 0.0054104200000000 ] - [ 0.0420762800000000, -0.0312747000000000, 0.0265931900000000 ] - [ 0.0080171000000000, 0.0002780500000000, -0.0014493400000000 ] - [ 0.0021802400000000, -0.0008576700000000, -0.0064724900000000 ] - [ -0.0023335900000000, -0.0012917600000000, 0.0060171600000000 ] - [ 0.0117812200000000, 0.0516449900000000, 0.0117708300000000 ] - [ 0.0081351400000000, -0.0000450000000000, -0.0009785900000000 ]- atom: 105 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0006035400000000, 0.0000867700000000, 0.0009252300000000 ] - [ 0.0006577700000000, -0.0011600900000000, -0.0033031400000000 ] - [ 0.0005414700000000, 0.0002787800000000, -0.0014627500000000 ] - [ -0.0012795300000000, 0.0000196400000000, 0.0005613200000000 ] - [ -0.0004500400000000, 0.0000891300000000, 0.0008052700000000 ] - [ 0.0013177900000000, -0.0014712900000000, -0.0020018100000000 ] - [ -0.0069077100000000, 0.0037064300000000, -0.0114016300000000 ] - [ -0.0020036800000000, -0.0001477500000000, 0.0005293300000000 ] - [ -0.0010779500000000, 0.0022801900000000, -0.0016877700000000 ] - [ 0.0013410200000000, 0.0001633200000000, 0.0005401500000000 ] - [ -0.0095730500000000, 0.0147297100000000, 0.0054929000000000 ] - [ 0.0035793200000000, -0.0014398400000000, -0.0017848400000000 ] - [ 0.0002928200000000, 0.0014595100000000, -0.0015116600000000 ] - [ -0.0003933000000000, 0.0000686700000000, 0.0022026500000000 ] - [ -0.1141122600000000, 0.0764225000000000, 0.0856913100000000 ] - [ 0.0023469300000000, -0.0022624900000000, -0.0003856900000000 ] - [ 0.0013845900000000, 0.0004126100000000, -0.0025346400000000 ] - [ 0.0007381700000000, -0.0008920300000000, 0.0007542200000000 ] - [ -0.0040391200000000, 0.0071872500000000, -0.0129069000000000 ] - [ 0.0017572700000000, -0.0010265700000000, 0.0021189500000000 ] - [ -0.0014883500000000, -0.0037817300000000, -0.0074775800000000 ] - [ 0.0042557000000000, 0.0018443300000000, 0.0049643100000000 ] - [ -0.0036655900000000, 0.0017439900000000, -0.0117445500000000 ] - [ 0.0018052300000000, -0.0009494800000000, 0.0031241300000000 ] - [ -0.0068081400000000, 0.0004356600000000, 0.0007982500000000 ] - [ 0.0010238600000000, 0.0001573600000000, 0.0001790000000000 ] - [ 0.0082838500000000, 0.0003644500000000, -0.0019067900000000 ] - [ 0.0063406700000000, 0.0020069300000000, 0.0015868000000000 ] - [ -0.0041070300000000, -0.0002201600000000, 0.0009801400000000 ] - [ 0.0014416200000000, -0.0003352300000000, -0.0002653100000000 ] - [ -0.1515716300000000, -0.0817308600000000, 0.1152489400000000 ] - [ 0.0035353200000000, 0.0015430500000000, -0.0009065500000000 ] - [ 0.0010926400000000, -0.0006426400000000, -0.0018243900000000 ] - [ 0.0003647300000000, 0.0003585700000000, 0.0013241000000000 ] - [ -0.0133060400000000, -0.0104230100000000, 0.0038831200000000 ] - [ 0.0033527400000000, 0.0013443700000000, -0.0009727300000000 ] - [ 0.0010549800000000, -0.0006515100000000, -0.0017449900000000 ] - [ 0.0004105500000000, 0.0001170700000000, 0.0015116900000000 ] - [ 0.0063752800000000, -0.0037451800000000, -0.0035694600000000 ] - [ 0.0028223500000000, -0.0019580000000000, 0.0005296100000000 ] - [ -0.0020925700000000, -0.0018493100000000, -0.0075985000000000 ] - [ 0.0028296500000000, 0.0013675100000000, 0.0031045800000000 ] - [ 0.0096551100000000, 0.0043383300000000, -0.0015839200000000 ] - [ 0.0059830100000000, 0.0019307300000000, 0.0008732100000000 ] - [ 0.0024907400000000, -0.0041923600000000, -0.0030685600000000 ] - [ 0.0029501700000000, -0.0012052700000000, 0.0002449500000000 ] - [ -0.0023114500000000, 0.0020475400000000, -0.0015297900000000 ] - [ -0.0000552200000000, -0.0000700900000000, 0.0009166000000000 ] - [ 0.0000315700000000, 0.0003168900000000, -0.0049670500000000 ] - [ -0.0011088600000000, 0.0002969000000000, 0.0019736000000000 ] - [ 0.0051238300000000, 0.0047099600000000, -0.0084719600000000 ] - [ 0.0027839500000000, 0.0002769200000000, -0.0002041600000000 ] - [ 0.0004463100000000, -0.0002201300000000, -0.0040418600000000 ] - [ -0.0004391300000000, -0.0000122600000000, 0.0031174200000000 ] - [ 0.0076252100000000, -0.0023941600000000, -0.0077649200000000 ] - [ 0.0035016800000000, 0.0003367900000000, -0.0029977300000000 ] - [ 0.0009492100000000, -0.0004750400000000, -0.0013591600000000 ] - [ -0.0018075400000000, -0.0026255600000000, 0.0049945900000000 ] - [ 0.0015384000000000, 0.0067421800000000, 0.0047362200000000 ] - [ 0.0023800500000000, 0.0011374000000000, -0.0003404000000000 ] - [ 0.0005343000000000, 0.0003263800000000, -0.0007611600000000 ] - [ -0.0010268200000000, -0.0016125300000000, 0.0023692900000000 ] - [ 0.0055523700000000, 0.0056745400000000, 0.0049971300000000 ] - [ 0.0026789300000000, 0.0018578500000000, -0.0012010400000000 ] - [ -0.0002307900000000, -0.0006607800000000, -0.0018281800000000 ] - [ 0.0011479700000000, 0.0004944100000000, 0.0015864800000000 ] - [ -0.0170349000000000, 0.0096589200000000, -0.0066072900000000 ] - [ 0.0041856000000000, -0.0019460700000000, 0.0017747400000000 ] - [ 0.0071795700000000, 0.0033517000000000, 0.0080695800000000 ] - [ 0.0028958600000000, -0.0003208300000000, 0.0015607700000000 ] - [ -0.1029286800000000, 0.0863211200000000, -0.0736840600000000 ] - [ 0.0032675200000000, -0.0010726900000000, 0.0007983800000000 ] - [ -0.0058934800000000, -0.0000454000000000, -0.0007472800000000 ] - [ 0.0010388800000000, 0.0002565700000000, 0.0003107000000000 ] - [ 0.0069320200000000, -0.0027180100000000, -0.0017001000000000 ] - [ 0.0107857500000000, -0.0001820200000000, 0.0025724100000000 ] - [ -0.0044722700000000, -0.0000472300000000, -0.0006268900000000 ] - [ 0.0013065900000000, -0.0002105900000000, -0.0003421400000000 ] - [ 0.0040788900000000, -0.0016238300000000, -0.0011576200000000 ] - [ 0.0068134600000000, -0.0044320700000000, 0.0023481200000000 ] - [ 0.0029606800000000, -0.0008488000000000, -0.0031272400000000 ] - [ -0.0001141100000000, 0.0004422000000000, 0.0065171200000000 ] - [ -0.0031334000000000, 0.0009500800000000, 0.0123716200000000 ] - [ 0.0011383000000000, 0.0007767200000000, -0.0022571300000000 ] - [ 0.0028260500000000, -0.0017081800000000, -0.0040031400000000 ] - [ -0.0013146800000000, 0.0030278000000000, 0.0065564400000000 ] - [ -0.0020603100000000, -0.0050930800000000, 0.0112827700000000 ] - [ 0.0016064400000000, 0.0007232900000000, -0.0022722900000000 ] - [ -0.0000044200000000, -0.0005318800000000, -0.0012341800000000 ] - [ 0.0007815100000000, -0.0014197500000000, 0.0020140100000000 ] - [ -0.1473269600000000, -0.0602705900000000, -0.0837316800000000 ] - [ 0.0031351200000000, 0.0007641300000000, 0.0008982000000000 ] - [ 0.0000330500000000, 0.0010550400000000, -0.0014296700000000 ] - [ 0.0011081300000000, 0.0001963700000000, 0.0022047900000000 ] - [ -0.0074395100000000, -0.0099841300000000, -0.0018127400000000 ] - [ 0.0027380700000000, 0.0021675900000000, 0.0007215400000000 ] - [ -0.0002956900000000, -0.0001501900000000, -0.0016684900000000 ] - [ 0.0000681300000000, -0.0001277600000000, 0.0050590700000000 ] - [ 0.0041393100000000, -0.0045313200000000, 0.0050434000000000 ] - [ 0.0025783900000000, -0.0003723500000000, 0.0008661600000000 ] - [ -0.0007430000000000, 0.0000325000000000, -0.0029746800000000 ] - [ 0.0003396100000000, -0.0000652500000000, 0.0043337800000000 ] - [ 0.0003896500000000, -0.0000672000000000, -0.0009972200000000 ] - [ 0.0019407500000000, 0.0013413900000000, 0.0022878000000000 ] - [ 0.6084441000000000, -0.0111145900000000, -0.0356021700000000 ] - [ -0.0068767400000000, 0.0007357500000000, -0.0001126300000000 ] - [ -0.0009103300000000, 0.0004355200000000, 0.0039752500000000 ] - [ -0.0014396600000000, -0.0000468100000000, -0.0037766900000000 ] - [ -0.0016947900000000, -0.0003989800000000, 0.0040207900000000 ] - [ -0.0023478300000000, -0.0004281800000000, -0.0044921400000000 ] - [ -0.0097498600000000, 0.0082974900000000, 0.0125121400000000 ] - [ -0.0125481800000000, 0.0003751500000000, -0.0017943000000000 ] - [ 0.0087612500000000, -0.0062393600000000, 0.0099555100000000 ] - [ -0.0021586900000000, 0.0007169000000000, -0.0025030200000000 ] - [ -0.0043853200000000, 0.0016556900000000, 0.0119700600000000 ] - [ -0.0083246900000000, 0.0000584200000000, -0.0014506600000000 ] - [ 0.0084606500000000, -0.0051347300000000, 0.0091179100000000 ] - [ -0.0014530000000000, 0.0006880300000000, -0.0032983600000000 ] - [ -0.0101286000000000, 0.0008630000000000, 0.0015742800000000 ] - [ -0.0092195500000000, -0.0071667700000000, -0.0119574500000000 ] - [ 0.0053377500000000, 0.0061511500000000, -0.0078432400000000 ] - [ -0.0014562400000000, -0.0005394100000000, 0.0034314000000000 ] - [ -0.0093202600000000, 0.0003357300000000, 0.0023964100000000 ] - [ -0.0065177100000000, -0.0020195500000000, -0.0068750700000000 ] - [ 0.0091675800000000, 0.0038680300000000, -0.0116952800000000 ] - [ -0.0015009800000000, -0.0006452700000000, 0.0017437800000000 ] - [ 0.0311705200000000, -0.0025327800000000, -0.0019356000000000 ] - [ -0.0059198800000000, 0.0004564000000000, 0.0002769700000000 ] - [ -0.0025825800000000, 0.0006254500000000, 0.0056937600000000 ] - [ 0.0033501300000000, 0.0033950800000000, -0.0068367200000000 ] - [ -0.0374771900000000, -0.0416836000000000, 0.0169808500000000 ] - [ -0.0090244500000000, 0.0002851100000000, -0.0017620100000000 ] - [ 0.0039285800000000, -0.0006789500000000, 0.0083689500000000 ] - [ -0.0030287500000000, -0.0009560500000000, -0.0059581700000000 ] - [ -0.0177006600000000, 0.0381686200000000, 0.0215870500000000 ] - [ -0.0083831100000000, -0.0003040600000000, -0.0013574600000000 ] - [ 0.0033073100000000, -0.0010633500000000, 0.0064028800000000 ] - [ -0.0028369000000000, 0.0000046900000000, -0.0059578400000000 ] - [ -0.0418366500000000, 0.0305127000000000, -0.0257196500000000 ] - [ -0.0077728100000000, -0.0011853900000000, 0.0024502000000000 ] - [ -0.0024162800000000, -0.0000600900000000, 0.0054503400000000 ] - [ 0.0021040300000000, 0.0003733400000000, -0.0070287300000000 ] - [ -0.0120109400000000, -0.0505876300000000, -0.0126914300000000 ] - [ -0.0083749500000000, 0.0009678200000000, -0.0000313600000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004831300000000, -0.0002334800000000, 0.0001683500000000 ] - [ 0.0001692600000000, -0.0017737000000000, -0.0018754000000000 ] - [ 0.0003450400000000, 0.0021918300000000, -0.0000258400000000 ] - [ -0.0003400000000000, 0.0006470000000000, -0.0001203200000000 ] - [ 0.0003546100000000, 0.0002280700000000, 0.0000193500000000 ] - [ -0.0001507500000000, 0.0014987600000000, 0.0004014100000000 ] - [ 0.0006641600000000, -0.0078393600000000, 0.0014582300000000 ] - [ 0.0002491100000000, -0.0005389500000000, 0.0001919400000000 ] - [ 0.0009384400000000, -0.0030924000000000, 0.0002556700000000 ] - [ 0.0000271000000000, -0.0010330000000000, 0.0000745200000000 ] - [ 0.0033032900000000, -0.0139637700000000, -0.0047603400000000 ] - [ 0.0009692400000000, 0.0001524400000000, -0.0006649900000000 ] - [ -0.0001173200000000, 0.0012264900000000, 0.0002878000000000 ] - [ -0.0005776700000000, 0.0007897300000000, 0.0006494000000000 ] - [ -0.0746768700000000, 0.1405604600000000, 0.1027509400000000 ] - [ -0.0003362600000000, -0.0005640200000000, 0.0004361600000000 ] - [ 0.0001342000000000, -0.0011192200000000, -0.0004494800000000 ] - [ 0.0006325900000000, -0.0008526100000000, -0.0004714000000000 ] - [ 0.0015849000000000, -0.0046629500000000, 0.0067061800000000 ] - [ 0.0000332700000000, -0.0002045800000000, 0.0000189000000000 ] - [ 0.0004313800000000, 0.0010776400000000, -0.0024875300000000 ] - [ -0.0021674400000000, -0.0003530500000000, -0.0003939600000000 ] - [ -0.0026131300000000, 0.0011772700000000, -0.0118481200000000 ] - [ 0.0003934500000000, -0.0000083100000000, 0.0005607700000000 ] - [ 0.0022391500000000, 0.0006359200000000, -0.0007773800000000 ] - [ -0.0016913800000000, 0.0008166500000000, 0.0003206200000000 ] - [ 0.0104969300000000, 0.0018619000000000, -0.0009618300000000 ] - [ -0.0004365400000000, 0.0015807200000000, -0.0017237300000000 ] - [ -0.0026833100000000, -0.0006907800000000, 0.0010637500000000 ] - [ 0.0018248300000000, -0.0008107100000000, -0.0003355900000000 ] - [ 0.0746943000000000, 0.1101214500000000, -0.0879633100000000 ] - [ 0.0003485700000000, 0.0004630200000000, 0.0001117900000000 ] - [ 0.0004131800000000, -0.0006119300000000, -0.0003006000000000 ] - [ 0.0001048300000000, -0.0003024500000000, -0.0000866600000000 ] - [ -0.0076933200000000, -0.0159679700000000, 0.0039677800000000 ] - [ 0.0003858000000000, -0.0000908400000000, -0.0003057400000000 ] - [ -0.0004225300000000, 0.0006708700000000, 0.0000407600000000 ] - [ 0.0001320200000000, 0.0001978300000000, 0.0002869600000000 ] - [ -0.0085828100000000, 0.0094595100000000, 0.0001388400000000 ] - [ -0.0024432400000000, 0.0027274900000000, 0.0006998100000000 ] - [ -0.0010587400000000, -0.0013764000000000, 0.0016019700000000 ] - [ 0.0017718500000000, 0.0003939500000000, 0.0004551900000000 ] - [ -0.0062967600000000, -0.0024274700000000, -0.0000244100000000 ] - [ 0.0026366700000000, -0.0002547300000000, 0.0018970300000000 ] - [ 0.0056106900000000, -0.0117634200000000, -0.0003920700000000 ] - [ 0.0026430200000000, -0.0025532000000000, -0.0005688400000000 ] - [ -0.0013244300000000, 0.0041384000000000, -0.0007989100000000 ] - [ 0.0000801300000000, 0.0009113800000000, 0.0000504200000000 ] - [ -0.0004138100000000, 0.0009358600000000, -0.0037090600000000 ] - [ 0.0001804300000000, 0.0005652900000000, -0.0006810100000000 ] - [ -0.0056717900000000, -0.0057472600000000, 0.0100662200000000 ] - [ 0.0022851500000000, 0.0002145200000000, -0.0015278800000000 ] - [ 0.0004606600000000, -0.0007031000000000, 0.0024197300000000 ] - [ -0.0002710600000000, -0.0004986300000000, 0.0010366500000000 ] - [ 0.0100146200000000, 0.0032431100000000, -0.0146645100000000 ] - [ -0.0022955700000000, -0.0001621400000000, 0.0018899300000000 ] - [ -0.0003851500000000, 0.0006356400000000, -0.0005719000000000 ] - [ 0.0005190800000000, 0.0029464300000000, -0.0029487100000000 ] - [ -0.0029113100000000, -0.0097351800000000, 0.0009183800000000 ] - [ -0.0013492800000000, -0.0020290000000000, 0.0000443800000000 ] - [ 0.0004983900000000, -0.0006711400000000, 0.0003762400000000 ] - [ -0.0003447500000000, -0.0028203900000000, 0.0013192200000000 ] - [ 0.0069285100000000, 0.0118242000000000, 0.0012304200000000 ] - [ 0.0022439200000000, 0.0028206400000000, -0.0001440700000000 ] - [ -0.0004206200000000, -0.0000700400000000, -0.0004353000000000 ] - [ 0.0002018400000000, 0.0003271400000000, -0.0000492900000000 ] - [ 0.0049301900000000, -0.0150648100000000, 0.0041779400000000 ] - [ 0.0007848100000000, -0.0006655100000000, 0.0003982700000000 ] - [ -0.0067427600000000, 0.0019302700000000, -0.0099989300000000 ] - [ 0.0024683200000000, -0.0000198200000000, 0.0029356000000000 ] - [ -0.0684815500000000, 0.1571337500000000, -0.0927176700000000 ] - [ -0.0001963700000000, 0.0004455800000000, -0.0001737400000000 ] - [ 0.0021663200000000, -0.0003167300000000, 0.0014855100000000 ] - [ -0.0013073000000000, -0.0004502800000000, 0.0001484800000000 ] - [ 0.0014136800000000, 0.0020474900000000, -0.0023663600000000 ] - [ -0.0098980700000000, 0.0011190200000000, -0.0022153700000000 ] - [ -0.0035323700000000, 0.0002667200000000, -0.0016164400000000 ] - [ 0.0016212900000000, 0.0004433300000000, -0.0001777700000000 ] - [ -0.0006763600000000, -0.0018224600000000, 0.0016800300000000 ] - [ 0.0096534800000000, -0.0057381400000000, 0.0018317200000000 ] - [ -0.0007990500000000, 0.0002611500000000, 0.0003095100000000 ] - [ 0.0009725000000000, 0.0004464400000000, 0.0036423800000000 ] - [ 0.0002502400000000, -0.0009883600000000, -0.0071568200000000 ] - [ -0.0003943200000000, 0.0000991500000000, -0.0004697100000000 ] - [ 0.0021163400000000, -0.0010462700000000, -0.0015904700000000 ] - [ -0.0007995700000000, 0.0010213400000000, -0.0017504200000000 ] - [ -0.0009406800000000, -0.0046510600000000, 0.0097116800000000 ] - [ 0.0005933700000000, 0.0000341100000000, 0.0001762300000000 ] - [ -0.0001279000000000, -0.0011197500000000, -0.0000490400000000 ] - [ 0.0003560600000000, -0.0013445800000000, 0.0002536200000000 ] - [ 0.0749735700000000, 0.0977299300000000, 0.0640330700000000 ] - [ 0.0003455700000000, -0.0004360400000000, -0.0000394200000000 ] - [ 0.0001166500000000, 0.0011184400000000, -0.0002193100000000 ] - [ -0.0002312000000000, 0.0014157200000000, 0.0002338100000000 ] - [ -0.0035726100000000, -0.0141743200000000, -0.0022808200000000 ] - [ 0.0001267100000000, 0.0006449600000000, 0.0001642900000000 ] - [ -0.0003607800000000, 0.0001503900000000, 0.0002188400000000 ] - [ 0.0002418200000000, 0.0002158300000000, -0.0014108500000000 ] - [ 0.0075081000000000, -0.0070433100000000, 0.0109572200000000 ] - [ -0.0014859500000000, -0.0000356400000000, -0.0022431900000000 ] - [ 0.0002786600000000, -0.0001147800000000, -0.0005282000000000 ] - [ -0.0001871700000000, -0.0004415400000000, 0.0022899500000000 ] - [ 0.0002917900000000, -0.0001075800000000, 0.0001345300000000 ] - [ 0.0000824900000000, -0.0000778700000000, 0.0003637900000000 ] - [ 0.0109197300000000, -0.5920833900000000, 0.0125014800000000 ] - [ -0.0008618800000000, -0.0000973200000000, -0.0001266300000000 ] - [ 0.0005605000000000, 0.0014976200000000, 0.0004210900000000 ] - [ 0.0000825100000000, 0.0013371800000000, -0.0000942400000000 ] - [ -0.0005257000000000, -0.0013613900000000, 0.0001701400000000 ] - [ -0.0005530400000000, -0.0013093200000000, -0.0005649200000000 ] - [ -0.0020878900000000, -0.0129302100000000, 0.0134795600000000 ] - [ 0.0084514600000000, -0.0026948300000000, -0.0021711900000000 ] - [ -0.0041752600000000, 0.0059760000000000, -0.0048449400000000 ] - [ 0.0009689500000000, 0.0012430500000000, -0.0000570600000000 ] - [ 0.0024737300000000, 0.0107612800000000, -0.0093906500000000 ] - [ -0.0074941800000000, 0.0015420500000000, 0.0016582000000000 ] - [ 0.0066523300000000, -0.0077054400000000, 0.0089274400000000 ] - [ -0.0014688800000000, -0.0009591300000000, -0.0004152200000000 ] - [ -0.0095046200000000, -0.0010237300000000, -0.0013305000000000 ] - [ 0.0008006300000000, -0.0122079900000000, 0.0109654600000000 ] - [ 0.0036928900000000, 0.0070299100000000, -0.0056378600000000 ] - [ -0.0018706500000000, 0.0009213100000000, 0.0008724600000000 ] - [ 0.0047673600000000, 0.0007960500000000, 0.0015010900000000 ] - [ -0.0035929600000000, 0.0076303800000000, -0.0127103300000000 ] - [ -0.0030872700000000, -0.0041284500000000, 0.0058245000000000 ] - [ 0.0017150500000000, -0.0010300000000000, -0.0004994000000000 ] - [ 0.0026332200000000, 0.0320301300000000, -0.0021664500000000 ] - [ -0.0003286100000000, 0.0002682100000000, 0.0002567900000000 ] - [ 0.0006784100000000, 0.0005149400000000, 0.0018731100000000 ] - [ -0.0015441200000000, -0.0024820500000000, -0.0012940100000000 ] - [ 0.0394308500000000, 0.0276711000000000, -0.0102807800000000 ] - [ -0.0014585200000000, -0.0019898400000000, -0.0027720400000000 ] - [ -0.0013007200000000, 0.0012623800000000, 0.0018476100000000 ] - [ 0.0012742700000000, -0.0001098700000000, -0.0003905600000000 ] - [ -0.0365793700000000, 0.0497752200000000, 0.0238557500000000 ] - [ -0.0005408800000000, 0.0013460700000000, 0.0021393500000000 ] - [ 0.0020307400000000, -0.0022416900000000, -0.0015268300000000 ] - [ -0.0017225000000000, 0.0003043300000000, -0.0001960600000000 ] - [ -0.0539367400000000, 0.0247739100000000, -0.0199503400000000 ] - [ 0.0002546700000000, -0.0017453000000000, -0.0019417600000000 ] - [ -0.0012413400000000, -0.0002566500000000, -0.0003233200000000 ] - [ 0.0021738800000000, 0.0016219900000000, -0.0002766700000000 ] - [ 0.0253285800000000, 0.0442811000000000, 0.0110436400000000 ] - [ -0.0013582400000000, 0.0013921500000000, 0.0016346300000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002637300000000, 0.0002563800000000, -0.0001844500000000 ] - [ -0.0003870400000000, 0.0018009600000000, 0.0018618900000000 ] - [ -0.0001379900000000, -0.0021736400000000, 0.0000337600000000 ] - [ 0.0005593100000000, -0.0006232900000000, 0.0001367500000000 ] - [ -0.0001354400000000, -0.0002509800000000, -0.0000031400000000 ] - [ 0.0003708100000000, -0.0015240600000000, -0.0003794400000000 ] - [ -0.0008551500000000, 0.0078292800000000, -0.0014560000000000 ] - [ -0.0004676400000000, 0.0005157000000000, -0.0002086300000000 ] - [ 0.0002712000000000, 0.0031337400000000, -0.0006105600000000 ] - [ 0.0011765800000000, 0.0010809200000000, -0.0004253000000000 ] - [ -0.0020267500000000, 0.0149107500000000, 0.0033903000000000 ] - [ 0.0002319900000000, 0.0008125300000000, -0.0006760800000000 ] - [ -0.0010836900000000, -0.0002600700000000, 0.0010534200000000 ] - [ -0.0006277200000000, 0.0001718100000000, 0.0006940200000000 ] - [ 0.0781785900000000, -0.1453529200000000, -0.1071810000000000 ] - [ -0.0008675100000000, -0.0003996400000000, 0.0009063100000000 ] - [ 0.0010684600000000, 0.0001538300000000, -0.0008920400000000 ] - [ 0.0005699800000000, -0.0001095000000000, -0.0008737900000000 ] - [ -0.0016913700000000, 0.0046342600000000, -0.0076863100000000 ] - [ -0.0001602300000000, 0.0001970100000000, -0.0010232000000000 ] - [ -0.0002962100000000, -0.0010761800000000, 0.0034959400000000 ] - [ 0.0023002000000000, 0.0003479900000000, 0.0014035500000000 ] - [ 0.0027226900000000, -0.0011709100000000, 0.0128107300000000 ] - [ -0.0002685800000000, 0.0000169800000000, 0.0004402600000000 ] - [ -0.0032442500000000, 0.0000054400000000, 0.0011624100000000 ] - [ 0.0006852100000000, -0.0001755800000000, 0.0000682600000000 ] - [ -0.0114836400000000, -0.0024979500000000, 0.0013501100000000 ] - [ -0.0005648700000000, -0.0022207900000000, 0.0021129600000000 ] - [ 0.0036967100000000, 0.0000523900000000, -0.0014500200000000 ] - [ -0.0008186900000000, 0.0001697200000000, -0.0000541500000000 ] - [ -0.0778770900000000, -0.1109445200000000, 0.0913244400000000 ] - [ -0.0003184400000000, -0.0002751500000000, 0.0000049200000000 ] - [ -0.0004427200000000, 0.0007999900000000, 0.0001845800000000 ] - [ -0.0001397100000000, 0.0004945300000000, -0.0000284300000000 ] - [ 0.0076162800000000, 0.0157830300000000, -0.0040437300000000 ] - [ -0.0004188200000000, -0.0000984900000000, 0.0001908200000000 ] - [ 0.0004539100000000, -0.0008588900000000, 0.0000743400000000 ] - [ -0.0000999000000000, -0.0003892900000000, -0.0001739400000000 ] - [ 0.0073600400000000, -0.0094009900000000, 0.0002158300000000 ] - [ 0.0012401800000000, -0.0026852100000000, -0.0003479700000000 ] - [ 0.0009236300000000, 0.0013767600000000, -0.0025978000000000 ] - [ -0.0019059300000000, -0.0003910700000000, -0.0014675000000000 ] - [ 0.0072861300000000, 0.0030628800000000, -0.0003611300000000 ] - [ -0.0016458400000000, 0.0008930700000000, -0.0022852300000000 ] - [ -0.0043819600000000, 0.0116712500000000, 0.0000316700000000 ] - [ -0.0014492000000000, 0.0025187000000000, 0.0002180700000000 ] - [ 0.0001193700000000, -0.0041762800000000, 0.0011509900000000 ] - [ -0.0012845100000000, -0.0009590400000000, 0.0002988500000000 ] - [ 0.0000117600000000, -0.0005118200000000, 0.0022684100000000 ] - [ -0.0005788000000000, -0.0001453100000000, -0.0007616300000000 ] - [ 0.0060545700000000, 0.0061630500000000, -0.0086346700000000 ] - [ -0.0018904800000000, 0.0002059300000000, 0.0029704100000000 ] - [ -0.0000554900000000, 0.0002791300000000, -0.0009853300000000 ] - [ 0.0006708600000000, 0.0000773100000000, 0.0004012300000000 ] - [ -0.0104147500000000, -0.0036683600000000, 0.0132733300000000 ] - [ 0.0018966900000000, -0.0002590700000000, -0.0033287300000000 ] - [ 0.0005866000000000, -0.0013681700000000, -0.0001041800000000 ] - [ -0.0003163300000000, -0.0036847000000000, 0.0022708500000000 ] - [ 0.0026979900000000, 0.0089949300000000, -0.0002443100000000 ] - [ 0.0011459900000000, 0.0012943800000000, 0.0006329700000000 ] - [ -0.0006996200000000, 0.0014036100000000, 0.0002998600000000 ] - [ 0.0001447700000000, 0.0035615200000000, -0.0006384100000000 ] - [ -0.0067216500000000, -0.0111072300000000, -0.0019022800000000 ] - [ -0.0020377300000000, -0.0020835500000000, -0.0005335100000000 ] - [ -0.0004251100000000, -0.0006899100000000, -0.0004250700000000 ] - [ -0.0010527600000000, -0.0010916400000000, -0.0008151900000000 ] - [ -0.0041437100000000, 0.0142583700000000, -0.0033416700000000 ] - [ 0.0000600300000000, -0.0000944100000000, 0.0004623500000000 ] - [ 0.0069072300000000, -0.0016498800000000, 0.0107497500000000 ] - [ -0.0023140400000000, 0.0003062700000000, -0.0021604800000000 ] - [ 0.0625877000000000, -0.1518955700000000, 0.0863484600000000 ] - [ -0.0006506200000000, 0.0003158300000000, -0.0006876100000000 ] - [ -0.0028230800000000, 0.0006172000000000, -0.0009343800000000 ] - [ 0.0006408900000000, 0.0007514300000000, 0.0004087300000000 ] - [ -0.0007496500000000, -0.0017424300000000, 0.0018118600000000 ] - [ 0.0105951500000000, -0.0008125500000000, 0.0016666900000000 ] - [ 0.0041907900000000, -0.0005693000000000, 0.0010609300000000 ] - [ -0.0009546000000000, -0.0007450400000000, -0.0003806900000000 ] - [ 0.0000090600000000, 0.0015155400000000, -0.0011197800000000 ] - [ -0.0103724500000000, 0.0054761800000000, -0.0012919200000000 ] - [ 0.0014354900000000, -0.0000889400000000, -0.0001227500000000 ] - [ -0.0003430900000000, -0.0002758900000000, -0.0034693100000000 ] - [ -0.0008973500000000, 0.0011742000000000, 0.0069793400000000 ] - [ -0.0002453900000000, 0.0000702600000000, 0.0002873800000000 ] - [ -0.0027495600000000, 0.0008723700000000, 0.0014008500000000 ] - [ 0.0001657400000000, -0.0011970100000000, 0.0015678800000000 ] - [ 0.0015945200000000, 0.0044993300000000, -0.0095599700000000 ] - [ 0.0000461300000000, -0.0002031700000000, 0.0000064700000000 ] - [ -0.0000596500000000, -0.0003083100000000, 0.0000268600000000 ] - [ -0.0005482700000000, -0.0000793200000000, -0.0002810100000000 ] - [ -0.0717381700000000, -0.0980927400000000, -0.0615867900000000 ] - [ -0.0001577900000000, -0.0009914700000000, 0.0000628900000000 ] - [ 0.0000722700000000, 0.0003088700000000, 0.0002415500000000 ] - [ 0.0004185100000000, 0.0000100900000000, -0.0002114800000000 ] - [ 0.0034474300000000, 0.0156097500000000, 0.0022956700000000 ] - [ -0.0003160700000000, 0.0007819900000000, -0.0001879900000000 ] - [ 0.0005113700000000, -0.0004383800000000, 0.0005520400000000 ] - [ -0.0000931800000000, -0.0005058600000000, 0.0021730000000000 ] - [ -0.0076833500000000, 0.0067606600000000, -0.0116911000000000 ] - [ 0.0013337800000000, -0.0002520000000000, 0.0014728800000000 ] - [ -0.0004286700000000, 0.0004031400000000, -0.0002427200000000 ] - [ 0.0000380300000000, 0.0007327400000000, -0.0030630100000000 ] - [ 0.0005557400000000, 0.0008678300000000, 0.0007259800000000 ] - [ 0.0007630500000000, 0.0008395300000000, 0.0004964200000000 ] - [ -0.0111149100000000, 0.5918493300000000, -0.0071849900000000 ] - [ 0.0001374400000000, 0.0005708000000000, -0.0002176300000000 ] - [ 0.0001638000000000, -0.0010217700000000, -0.0000769000000000 ] - [ 0.0006481500000000, -0.0008693900000000, 0.0004425300000000 ] - [ -0.0002016800000000, 0.0008857900000000, -0.0005136100000000 ] - [ -0.0001696400000000, 0.0008419100000000, 0.0002238800000000 ] - [ 0.0023018700000000, 0.0130511700000000, -0.0141547600000000 ] - [ -0.0082398900000000, 0.0028445900000000, 0.0015046900000000 ] - [ 0.0039302400000000, -0.0058194600000000, 0.0055135800000000 ] - [ -0.0011892800000000, -0.0011015100000000, 0.0007237600000000 ] - [ -0.0026728700000000, -0.0108716500000000, 0.0100323300000000 ] - [ 0.0072986100000000, -0.0016846400000000, -0.0009940400000000 ] - [ -0.0064145900000000, 0.0075481900000000, -0.0095845400000000 ] - [ 0.0016900900000000, 0.0008168600000000, -0.0002456300000000 ] - [ 0.0101903200000000, 0.0012134300000000, -0.0000065600000000 ] - [ -0.0001105600000000, 0.0124058600000000, -0.0123138900000000 ] - [ -0.0044098500000000, -0.0068645400000000, 0.0069807800000000 ] - [ 0.0011677000000000, -0.0007339700000000, 0.0004668400000000 ] - [ -0.0054675900000000, -0.0009822900000000, -0.0001641600000000 ] - [ 0.0029280100000000, -0.0078216700000000, 0.0140596300000000 ] - [ 0.0037908200000000, 0.0039406900000000, -0.0071557800000000 ] - [ -0.0010124400000000, 0.0008426200000000, -0.0008389500000000 ] - [ -0.0019677700000000, -0.0324844200000000, 0.0024667600000000 ] - [ 0.0010574100000000, -0.0007418800000000, 0.0000866200000000 ] - [ -0.0004402700000000, 0.0004010700000000, -0.0008625400000000 ] - [ 0.0017825400000000, 0.0034021800000000, 0.0023253600000000 ] - [ -0.0400488700000000, -0.0283631100000000, 0.0098321600000000 ] - [ 0.0009761900000000, 0.0012331700000000, 0.0022194600000000 ] - [ 0.0017837600000000, -0.0020289900000000, -0.0012928200000000 ] - [ -0.0007799500000000, -0.0006560800000000, 0.0009353000000000 ] - [ 0.0372043600000000, -0.0489945500000000, -0.0234552600000000 ] - [ 0.0010328400000000, -0.0005870500000000, -0.0015901800000000 ] - [ -0.0025231800000000, 0.0030023900000000, 0.0009674800000000 ] - [ 0.0012339800000000, 0.0004619400000000, -0.0003400000000000 ] - [ 0.0539768400000000, -0.0256835700000000, 0.0208154800000000 ] - [ -0.0000156300000000, 0.0008257300000000, 0.0029554400000000 ] - [ 0.0010001900000000, -0.0006572800000000, -0.0006838400000000 ] - [ -0.0024103600000000, -0.0025362200000000, -0.0007396000000000 ] - [ -0.0253641600000000, -0.0434322400000000, -0.0119003500000000 ] - [ 0.0011234700000000, -0.0004763000000000, -0.0026504400000000 ]- atom: 105 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0008189100000000, -0.0000286800000000, 0.0010192000000000 ] - [ 0.0016906000000000, -0.0003277700000000, 0.0001085600000000 ] - [ 0.0010567900000000, -0.0006403200000000, -0.0010249800000000 ] - [ -0.0012638300000000, 0.0002972200000000, 0.0004480200000000 ] - [ -0.0004980100000000, -0.0000007200000000, 0.0009023700000000 ] - [ 0.0013596200000000, -0.0002349100000000, -0.0005584700000000 ] - [ 0.0041145900000000, -0.0004789600000000, -0.0021095100000000 ] - [ -0.0018833300000000, 0.0001182500000000, 0.0004546100000000 ] - [ 0.0003340100000000, 0.0028954900000000, -0.0022362800000000 ] - [ 0.0007106900000000, -0.0002459700000000, -0.0002711200000000 ] - [ -0.0088081100000000, 0.0190915800000000, 0.0112870600000000 ] - [ 0.0022597900000000, -0.0006147000000000, -0.0011329600000000 ] - [ 0.0019701900000000, 0.0024119600000000, -0.0023761300000000 ] - [ -0.0014848000000000, -0.0000690000000000, 0.0009894700000000 ] - [ -0.1276829800000000, 0.1192149100000000, 0.1729146200000000 ] - [ 0.0010241600000000, -0.0014893600000000, 0.0001943700000000 ] - [ 0.0029549200000000, 0.0014823100000000, -0.0034306000000000 ] - [ -0.0002341000000000, -0.0009952000000000, -0.0004332800000000 ] - [ -0.0030982700000000, 0.0078153100000000, -0.0133356800000000 ] - [ 0.0006101700000000, -0.0002958100000000, 0.0002320500000000 ] - [ 0.0008707600000000, -0.0030142500000000, -0.0023467100000000 ] - [ -0.0001126900000000, 0.0002291500000000, 0.0010801700000000 ] - [ -0.0029575900000000, 0.0010695600000000, -0.0135150700000000 ] - [ 0.0006664000000000, -0.0001538900000000, 0.0008929700000000 ] - [ -0.0019232200000000, -0.0013294600000000, -0.0019749100000000 ] - [ -0.0001985500000000, 0.0003578400000000, -0.0004038100000000 ] - [ 0.0138211400000000, 0.0016478500000000, -0.0015275300000000 ] - [ 0.0019119600000000, -0.0006401300000000, 0.0026750800000000 ] - [ -0.0012127700000000, 0.0000752100000000, -0.0008799500000000 ] - [ 0.0010095500000000, -0.0003956800000000, -0.0009003300000000 ] - [ -0.1711556300000000, -0.1153087200000000, 0.2031195500000000 ] - [ 0.0019655800000000, 0.0009618800000000, -0.0003178800000000 ] - [ 0.0028678500000000, -0.0014385400000000, -0.0025434500000000 ] - [ -0.0009964700000000, 0.0004962700000000, 0.0002949300000000 ] - [ -0.0134357300000000, -0.0151111700000000, 0.0086168900000000 ] - [ 0.0018494200000000, 0.0007099700000000, -0.0004450500000000 ] - [ 0.0029645000000000, -0.0013240100000000, -0.0026279700000000 ] - [ -0.0009761700000000, 0.0002621200000000, 0.0002716200000000 ] - [ 0.0105510100000000, -0.0089885700000000, -0.0018653700000000 ] - [ -0.0006170100000000, 0.0006654800000000, 0.0007808100000000 ] - [ 0.0004826200000000, -0.0004301700000000, -0.0029515400000000 ] - [ -0.0002935000000000, 0.0000758800000000, -0.0002702000000000 ] - [ 0.0140780000000000, 0.0060071300000000, -0.0007615600000000 ] - [ 0.0028474100000000, 0.0006347600000000, 0.0024563900000000 ] - [ 0.0057189700000000, -0.0106891300000000, -0.0007943000000000 ] - [ 0.0002983300000000, 0.0007382400000000, 0.0002468700000000 ] - [ -0.0002304000000000, 0.0029207400000000, -0.0042803600000000 ] - [ -0.0004125700000000, -0.0001613100000000, -0.0000717300000000 ] - [ 0.0014235300000000, -0.0004805900000000, -0.0083421700000000 ] - [ -0.0002756000000000, 0.0001051700000000, -0.0014405200000000 ] - [ -0.0010064400000000, -0.0013943300000000, 0.0059065800000000 ] - [ 0.0002429200000000, 0.0001101000000000, 0.0017177400000000 ] - [ 0.0016954400000000, -0.0005399400000000, -0.0062462700000000 ] - [ -0.0000654500000000, -0.0004280800000000, 0.0004801900000000 ] - [ -0.0025180800000000, -0.0043289800000000, 0.0076850200000000 ] - [ 0.0000796400000000, -0.0000845100000000, 0.0002537000000000 ] - [ 0.0008476200000000, -0.0005780400000000, -0.0016701800000000 ] - [ -0.0024441600000000, -0.0005022000000000, -0.0020519700000000 ] - [ -0.0022772800000000, -0.0044401200000000, 0.0034952900000000 ] - [ 0.0029178600000000, 0.0017813400000000, -0.0001572700000000 ] - [ 0.0006901600000000, -0.0000892200000000, -0.0009894000000000 ] - [ -0.0012802500000000, 0.0008467000000000, 0.0003136700000000 ] - [ -0.0029523000000000, -0.0042344500000000, 0.0023215100000000 ] - [ 0.0034760800000000, 0.0028188200000000, -0.0008227700000000 ] - [ 0.0009744600000000, -0.0002560000000000, -0.0017477200000000 ] - [ -0.0021925400000000, -0.0009597600000000, -0.0011549800000000 ] - [ -0.0030755200000000, -0.0004739500000000, 0.0047563800000000 ] - [ 0.0026756000000000, -0.0013082900000000, 0.0013906200000000 ] - [ 0.0089308000000000, 0.0006243600000000, 0.0167411400000000 ] - [ 0.0035943100000000, -0.0004383700000000, 0.0032002000000000 ] - [ -0.0113478600000000, -0.0271343900000000, 0.0625490400000000 ] - [ 0.0017991000000000, -0.0004561200000000, 0.0004874600000000 ] - [ -0.0046829000000000, 0.0004262200000000, -0.0018838900000000 ] - [ 0.0006111200000000, 0.0000565700000000, -0.0003273100000000 ] - [ 0.0053077400000000, -0.0033187100000000, 0.0006182400000000 ] - [ -0.0024001700000000, 0.0003182400000000, 0.0000190000000000 ] - [ -0.0049059900000000, -0.0015294500000000, -0.0029590400000000 ] - [ 0.0015416500000000, -0.0001042500000000, -0.0009687200000000 ] - [ 0.0036045600000000, -0.0023284500000000, 0.0008799700000000 ] - [ -0.0036148800000000, 0.0014452400000000, 0.0011534500000000 ] - [ 0.0035153500000000, -0.0010516700000000, -0.0035366500000000 ] - [ -0.0020716000000000, 0.0022138600000000, 0.0056559500000000 ] - [ -0.0024885100000000, -0.0010066600000000, 0.0028592600000000 ] - [ 0.0007451800000000, 0.0008391500000000, -0.0021848400000000 ] - [ 0.0038869400000000, -0.0020592700000000, -0.0045200400000000 ] - [ -0.0020880500000000, 0.0010108900000000, 0.0052236000000000 ] - [ -0.0009092400000000, 0.0000535100000000, 0.0011565200000000 ] - [ 0.0014254800000000, 0.0007462100000000, -0.0021000700000000 ] - [ 0.0008439800000000, -0.0009397300000000, -0.0012386200000000 ] - [ -0.0015697500000000, 0.0001602300000000, -0.0003077300000000 ] - [ -0.0197270300000000, 0.0038909000000000, 0.0483058900000000 ] - [ 0.0019762600000000, 0.0001504800000000, 0.0005858800000000 ] - [ 0.0010215400000000, 0.0006422700000000, -0.0013928800000000 ] - [ -0.0014084400000000, 0.0013008100000000, -0.0003598500000000 ] - [ -0.0030324500000000, 0.0031955900000000, 0.0038447700000000 ] - [ 0.0016987700000000, 0.0015580700000000, 0.0005092700000000 ] - [ -0.0003749000000000, -0.0002434900000000, -0.0028238300000000 ] - [ -0.0013363900000000, -0.0010149600000000, -0.0015789200000000 ] - [ 0.0075116500000000, -0.0072960000000000, 0.0148540800000000 ] - [ 0.0029157800000000, -0.0005952800000000, 0.0018911300000000 ] - [ -0.0004663800000000, -0.0002627700000000, -0.0037111400000000 ] - [ -0.0009622900000000, -0.0000237200000000, -0.0014813100000000 ] - [ 0.0016277900000000, 0.0003613500000000, -0.0008405600000000 ] - [ -0.0010999200000000, -0.0001888100000000, -0.0001067000000000 ] - [ 0.3793605600000000, 0.0134184400000000, -0.5149164400000000 ] - [ -0.0041477600000000, 0.0005586600000000, -0.0002793800000000 ] - [ -0.0034879000000000, 0.0001511300000000, 0.0048486700000000 ] - [ 0.0025647200000000, 0.0002936200000000, 0.0002209100000000 ] - [ -0.0045663400000000, -0.0006159600000000, 0.0050746300000000 ] - [ 0.0020387200000000, -0.0000220000000000, 0.0000974400000000 ] - [ -0.0086877800000000, 0.0142955300000000, -0.0040640300000000 ] - [ 0.0011887200000000, -0.0009752100000000, -0.0025284600000000 ] - [ 0.0062895400000000, -0.0070366400000000, 0.0123499100000000 ] - [ -0.0011068100000000, 0.0006559900000000, 0.0006800800000000 ] - [ -0.0041320600000000, 0.0059224400000000, -0.0026185500000000 ] - [ 0.0013743900000000, -0.0004743300000000, -0.0012297900000000 ] - [ 0.0067248200000000, -0.0035702900000000, 0.0148119300000000 ] - [ -0.0011616900000000, 0.0003206800000000, 0.0005889700000000 ] - [ -0.0143091400000000, 0.0004416000000000, 0.0001855000000000 ] - [ -0.0013899800000000, 0.0050214100000000, -0.0172463000000000 ] - [ 0.0026523600000000, -0.0000090900000000, 0.0014560900000000 ] - [ -0.0012436000000000, -0.0000376400000000, 0.0043861700000000 ] - [ -0.0115522000000000, 0.0004666900000000, 0.0017065700000000 ] - [ -0.0021061600000000, 0.0018534500000000, -0.0160802500000000 ] - [ 0.0057408400000000, 0.0038541400000000, 0.0015720100000000 ] - [ -0.0003596100000000, -0.0003580300000000, 0.0029048800000000 ] - [ 0.0197810600000000, -0.0034628800000000, -0.0227279800000000 ] - [ -0.0033261100000000, 0.0002317000000000, 0.0000878000000000 ] - [ -0.0043317000000000, 0.0012623500000000, 0.0078480300000000 ] - [ 0.0065070600000000, -0.0007522100000000, 0.0014235400000000 ] - [ -0.0569070000000000, -0.0516803900000000, 0.0110073900000000 ] - [ -0.0043199100000000, -0.0007807100000000, -0.0027864000000000 ] - [ -0.0031877800000000, 0.0005419300000000, 0.0085219300000000 ] - [ 0.0012322600000000, -0.0001246500000000, 0.0004836000000000 ] - [ -0.0370640100000000, 0.0585671600000000, 0.0216767300000000 ] - [ -0.0036060600000000, -0.0003213600000000, -0.0016592100000000 ] - [ -0.0031103700000000, -0.0030088200000000, 0.0081435000000000 ] - [ 0.0007898200000000, 0.0007874300000000, 0.0008462100000000 ] - [ 0.0149345500000000, -0.0021229400000000, -0.0067927100000000 ] - [ -0.0051061200000000, -0.0014092200000000, -0.0000581100000000 ] - [ -0.0045514600000000, 0.0003888700000000, 0.0069802200000000 ] - [ 0.0056967000000000, 0.0007567300000000, -0.0008509200000000 ] - [ 0.0075711900000000, 0.0062584000000000, -0.0081479100000000 ] - [ -0.0053871200000000, 0.0003757700000000, -0.0014253100000000 ]- atom: 105 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0006008100000000, 0.0000515600000000, -0.0010345100000000 ] - [ -0.0019196600000000, 0.0003526200000000, -0.0001231000000000 ] - [ -0.0008373900000000, 0.0006611300000000, 0.0010476000000000 ] - [ 0.0014812800000000, -0.0002744300000000, -0.0004298000000000 ] - [ 0.0007176200000000, -0.0000218700000000, -0.0008892500000000 ] - [ -0.0011384500000000, 0.0002135400000000, 0.0005720300000000 ] - [ -0.0043213700000000, 0.0004535300000000, 0.0020780200000000 ] - [ 0.0016634800000000, -0.0001440300000000, -0.0004726200000000 ] - [ 0.0008694800000000, -0.0028664000000000, 0.0018885400000000 ] - [ 0.0004929300000000, 0.0002914500000000, -0.0000785600000000 ] - [ 0.0100379400000000, -0.0181380100000000, -0.0126453100000000 ] - [ -0.0010587000000000, 0.0015797600000000, -0.0002085100000000 ] - [ -0.0031691200000000, -0.0014435600000000, 0.0037145900000000 ] - [ 0.0002812800000000, 0.0010323800000000, 0.0003532300000000 ] - [ 0.1331934100000000, -0.1304862400000000, -0.1795061400000000 ] - [ -0.0022297300000000, 0.0005274800000000, 0.0011481600000000 ] - [ -0.0017574800000000, -0.0024552800000000, 0.0020938500000000 ] - [ 0.0014344900000000, 0.0000298200000000, -0.0009103400000000 ] - [ 0.0030052300000000, -0.0078286100000000, 0.0123894000000000 ] - [ -0.0007353800000000, 0.0002878400000000, -0.0012342400000000 ] - [ -0.0007229300000000, 0.0030054900000000, 0.0033502000000000 ] - [ 0.0002448600000000, -0.0002340600000000, -0.0000697900000000 ] - [ 0.0030566700000000, -0.0010153100000000, 0.0144855100000000 ] - [ -0.0005439600000000, 0.0001637500000000, 0.0001042900000000 ] - [ 0.0009105800000000, 0.0019506800000000, 0.0023416900000000 ] - [ -0.0008060600000000, 0.0002822200000000, 0.0007950100000000 ] - [ -0.0148165600000000, -0.0022459600000000, 0.0019160600000000 ] - [ -0.0029274600000000, -0.0000035000000000, -0.0022872700000000 ] - [ 0.0022311500000000, -0.0007221200000000, 0.0004922800000000 ] - [ -0.0000042600000000, -0.0002454900000000, 0.0005085400000000 ] - [ 0.1602892800000000, 0.1053307500000000, -0.1927708900000000 ] - [ -0.0019356000000000, -0.0007731200000000, 0.0004345000000000 ] - [ -0.0028936700000000, 0.0016204100000000, 0.0024261200000000 ] - [ 0.0009646300000000, -0.0003070500000000, -0.0004100000000000 ] - [ 0.0133900000000000, 0.0149344700000000, -0.0087298500000000 ] - [ -0.0018841300000000, -0.0009005500000000, 0.0003294000000000 ] - [ -0.0029393300000000, 0.0011383100000000, 0.0027482700000000 ] - [ 0.0010059000000000, -0.0004515200000000, -0.0001584500000000 ] - [ -0.0117507000000000, 0.0091043700000000, 0.0022308000000000 ] - [ -0.0005844200000000, -0.0006218000000000, -0.0004299600000000 ] - [ -0.0006291200000000, 0.0003994700000000, 0.0019396600000000 ] - [ 0.0001587600000000, -0.0000736100000000, -0.0007452100000000 ] - [ -0.0131669200000000, -0.0054149600000000, 0.0003783300000000 ] - [ -0.0018350500000000, 0.0000096500000000, -0.0028445300000000 ] - [ -0.0044814600000000, 0.0105563400000000, 0.0004339600000000 ] - [ 0.0008987100000000, -0.0007804000000000, -0.0005995000000000 ] - [ -0.0009774100000000, -0.0029588000000000, 0.0046677400000000 ] - [ -0.0007918200000000, 0.0001167200000000, 0.0004198600000000 ] - [ -0.0018284500000000, 0.0009118500000000, 0.0069170900000000 ] - [ -0.0001244900000000, 0.0003167100000000, -0.0000022000000000 ] - [ 0.0014098500000000, 0.0017988200000000, -0.0044870700000000 ] - [ 0.0001532700000000, 0.0003080500000000, -0.0002759500000000 ] - [ -0.0012944800000000, 0.0001173200000000, 0.0076935900000000 ] - [ 0.0004665900000000, 0.0000078000000000, 0.0009585900000000 ] - [ 0.0021192600000000, 0.0038968700000000, -0.0090813700000000 ] - [ -0.0004789700000000, -0.0003370700000000, -0.0016951400000000 ] - [ -0.0006456500000000, -0.0001549100000000, 0.0009969000000000 ] - [ 0.0026267800000000, -0.0002308400000000, 0.0013598100000000 ] - [ 0.0020852100000000, 0.0037318600000000, -0.0028021400000000 ] - [ -0.0031391700000000, -0.0025315800000000, 0.0008387300000000 ] - [ -0.0008922000000000, 0.0008215600000000, 0.0016644400000000 ] - [ 0.0010814300000000, -0.0001137000000000, 0.0003599400000000 ] - [ 0.0031391800000000, 0.0049452700000000, -0.0030141600000000 ] - [ -0.0032729400000000, -0.0020817200000000, 0.0001433200000000 ] - [ -0.0018183500000000, -0.0005010300000000, 0.0008897100000000 ] - [ 0.0013410400000000, 0.0001968300000000, 0.0002906100000000 ] - [ 0.0039148700000000, -0.0002747700000000, -0.0038951000000000 ] - [ -0.0018302200000000, 0.0005458700000000, -0.0005291000000000 ] - [ -0.0087672700000000, -0.0003166400000000, -0.0159908400000000 ] - [ -0.0034444900000000, 0.0007273200000000, -0.0024325600000000 ] - [ 0.0109834300000000, 0.0268864200000000, -0.0622550700000000 ] - [ -0.0026482300000000, 0.0012194700000000, -0.0013506500000000 ] - [ 0.0040282200000000, -0.0001214800000000, 0.0024424300000000 ] - [ -0.0012745300000000, 0.0002460500000000, 0.0008872000000000 ] - [ -0.0046328800000000, 0.0036210100000000, -0.0011729400000000 ] - [ 0.0030960300000000, -0.0000241900000000, -0.0005716900000000 ] - [ 0.0055803200000000, 0.0012404800000000, 0.0024089800000000 ] - [ -0.0008788700000000, -0.0001973400000000, 0.0004096300000000 ] - [ -0.0042640400000000, 0.0020131500000000, -0.0003257400000000 ] - [ 0.0029197500000000, -0.0017253400000000, -0.0006002500000000 ] - [ -0.0028900700000000, 0.0012345500000000, 0.0037387400000000 ] - [ 0.0027044600000000, -0.0020320500000000, -0.0054588200000000 ] - [ 0.0018337100000000, 0.0011623900000000, -0.0030274200000000 ] - [ -0.0013847800000000, -0.0006710900000000, 0.0020067600000000 ] - [ -0.0045250100000000, 0.0018871100000000, 0.0043308500000000 ] - [ 0.0014538900000000, -0.0011897300000000, -0.0054233000000000 ] - [ 0.0015627100000000, -0.0002281400000000, -0.0009819100000000 ] - [ -0.0007864000000000, -0.0009172300000000, 0.0022805600000000 ] - [ -0.0010316900000000, -0.0004892900000000, 0.0012192200000000 ] - [ 0.0013772400000000, -0.0015833500000000, 0.0002836900000000 ] - [ 0.0188092500000000, -0.0063202600000000, -0.0493585400000000 ] - [ -0.0017867300000000, -0.0015769500000000, -0.0005609100000000 ] - [ -0.0008351000000000, 0.0007893300000000, 0.0014143100000000 ] - [ 0.0015984600000000, 0.0001252200000000, 0.0003812700000000 ] - [ 0.0028407700000000, -0.0017473800000000, -0.0038729600000000 ] - [ -0.0018904500000000, -0.0001338600000000, -0.0005346900000000 ] - [ 0.0005284800000000, -0.0000453300000000, 0.0036059300000000 ] - [ 0.0014773500000000, 0.0007204700000000, 0.0023348400000000 ] - [ -0.0076696100000000, 0.0070282600000000, -0.0156086900000000 ] - [ -0.0030806800000000, 0.0003114800000000, -0.0026714700000000 ] - [ 0.0003139800000000, 0.0005473300000000, 0.0029312300000000 ] - [ 0.0008143000000000, 0.0003116600000000, 0.0007129500000000 ] - [ -0.0007828200000000, 0.0003976000000000, 0.0017009500000000 ] - [ 0.0019475500000000, 0.0009513300000000, 0.0009679900000000 ] - [ -0.3752188600000000, 0.0098796300000000, 0.5122366400000000 ] - [ 0.0034253400000000, -0.0000893700000000, -0.0000654700000000 ] - [ 0.0042135400000000, 0.0003313700000000, -0.0045073900000000 ] - [ -0.0018356000000000, 0.0001783700000000, 0.0001239500000000 ] - [ 0.0038423000000000, 0.0001302500000000, -0.0054201500000000 ] - [ -0.0027614000000000, -0.0004478800000000, -0.0004380100000000 ] - [ 0.0088461700000000, -0.0141555600000000, 0.0033904200000000 ] - [ -0.0009794400000000, 0.0011209300000000, 0.0018656000000000 ] - [ -0.0065329500000000, 0.0071992800000000, -0.0117003300000000 ] - [ 0.0008830900000000, -0.0005127300000000, -0.0000169300000000 ] - [ 0.0039246900000000, -0.0059986200000000, 0.0033031600000000 ] - [ -0.0015755400000000, 0.0003349500000000, 0.0018977400000000 ] - [ -0.0065049000000000, 0.0033730900000000, -0.0155159600000000 ] - [ 0.0013870600000000, -0.0004667300000000, -0.0012467600000000 ] - [ 0.0150170600000000, -0.0002540800000000, -0.0015172300000000 ] - [ 0.0021025800000000, -0.0048134000000000, 0.0159070000000000 ] - [ -0.0033695800000000, 0.0001993100000000, -0.0001171900000000 ] - [ 0.0005436500000000, 0.0002271600000000, -0.0030401200000000 ] - [ 0.0109076800000000, -0.0006641600000000, -0.0003787200000000 ] - [ 0.0013983200000000, -0.0020589500000000, 0.0174203800000000 ] - [ -0.0049998000000000, -0.0040107200000000, -0.0028857900000000 ] - [ 0.0010584300000000, 0.0001707400000000, -0.0042538600000000 ] - [ -0.0190689900000000, 0.0029716400000000, 0.0230801100000000 ] - [ 0.0040566800000000, -0.0007027200000000, 0.0002563600000000 ] - [ 0.0045724700000000, -0.0003527000000000, -0.0068593200000000 ] - [ -0.0062568100000000, 0.0016457400000000, -0.0004064400000000 ] - [ 0.0563179300000000, 0.0507439700000000, -0.0114904700000000 ] - [ 0.0038278500000000, 0.0000156500000000, 0.0022384200000000 ] - [ 0.0036622900000000, -0.0012762000000000, -0.0079525100000000 ] - [ -0.0007428900000000, -0.0006387300000000, 0.0000568600000000 ] - [ 0.0376762300000000, -0.0580293700000000, -0.0212127900000000 ] - [ 0.0041090900000000, 0.0010835700000000, 0.0022169300000000 ] - [ 0.0026321500000000, 0.0038054400000000, -0.0087228600000000 ] - [ -0.0012736600000000, -0.0000210800000000, -0.0013753100000000 ] - [ -0.0147003700000000, 0.0011979900000000, 0.0077854000000000 ] - [ 0.0053466900000000, 0.0004968000000000, 0.0010753000000000 ] - [ 0.0043178100000000, -0.0013067500000000, -0.0079901300000000 ] - [ -0.0059463600000000, -0.0016782200000000, -0.0001540900000000 ] - [ -0.0078320400000000, -0.0053426300000000, 0.0071061400000000 ] - [ 0.0051509000000000, 0.0005534600000000, 0.0004080000000000 ]- atom: 111 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0000404500000000, -0.0001485300000000, 0.0010404000000000 ] - [ 0.0000789000000000, -0.0002732300000000, -0.0011690200000000 ] - [ -0.0009864200000000, 0.0003533700000000, -0.0009196600000000 ] - [ 0.0007747300000000, -0.0002509900000000, 0.0010802300000000 ] - [ 0.0002954300000000, -0.0023581800000000, -0.0027276500000000 ] - [ 0.0012130800000000, 0.0003427800000000, 0.0002988900000000 ] - [ 0.0012694200000000, -0.0002279700000000, 0.0001120300000000 ] - [ 0.0108855800000000, 0.0136824100000000, -0.0040527500000000 ] - [ -0.0023467300000000, -0.0058720700000000, -0.0016939800000000 ] - [ -0.0007918400000000, 0.0000618900000000, 0.0009125100000000 ] - [ 0.0005839400000000, 0.0003410300000000, -0.0000086600000000 ] - [ -0.0031084500000000, 0.0038974000000000, -0.0001080600000000 ] - [ 0.0065775300000000, 0.0075626300000000, -0.0062365700000000 ] - [ -0.0021380200000000, -0.0008159600000000, 0.0017453600000000 ] - [ -0.0042337800000000, 0.0023578500000000, 0.0033822200000000 ] - [ -0.0004759100000000, -0.0041340200000000, -0.0030864400000000 ] - [ 0.0029836300000000, 0.0000841800000000, -0.0011841300000000 ] - [ 0.0001191200000000, -0.0004292700000000, -0.0011966700000000 ] - [ -0.0002636200000000, 0.0001949100000000, -0.0016338400000000 ] - [ -0.0007738700000000, -0.0001185200000000, 0.0002903600000000 ] - [ 0.1176756200000000, 0.0847267900000000, 0.0814019200000000 ] - [ -0.0016034100000000, -0.0002549000000000, 0.0001858800000000 ] - [ 0.0004914600000000, -0.0006677400000000, 0.0028523800000000 ] - [ -0.0011695200000000, 0.0013156500000000, -0.0032252800000000 ] - [ -0.0090224000000000, 0.0017618900000000, -0.0020724700000000 ] - [ -0.0064953600000000, 0.0007866000000000, 0.0028403300000000 ] - [ -0.0029476300000000, -0.0010372300000000, 0.0001001400000000 ] - [ 0.0054879400000000, 0.0010314400000000, -0.0006448500000000 ] - [ -0.0004696600000000, -0.0001862400000000, 0.0011798200000000 ] - [ -0.0012955300000000, -0.0001184600000000, -0.0017705600000000 ] - [ -0.0027515500000000, 0.0031230600000000, 0.0020100900000000 ] - [ -0.0055430000000000, -0.0037193200000000, 0.0004897300000000 ] - [ 0.0085677400000000, -0.0058126900000000, -0.0047697100000000 ] - [ -0.0018012700000000, 0.0011785200000000, 0.0006788000000000 ] - [ -0.0023992100000000, -0.0015898600000000, 0.0013739300000000 ] - [ 0.0003391500000000, 0.0022932700000000, -0.0026654600000000 ] - [ 0.0027343200000000, -0.0001403100000000, -0.0007124300000000 ] - [ -0.0003418100000000, -0.0002495100000000, -0.0001680100000000 ] - [ 0.0580797000000000, -0.0459432100000000, 0.0120709400000000 ] - [ -0.0026319800000000, 0.0013471900000000, 0.0004218400000000 ] - [ -0.0001841600000000, 0.0004070400000000, 0.0008688300000000 ] - [ 0.0000550000000000, -0.0014704600000000, -0.0069759900000000 ] - [ 0.0123059000000000, 0.0060162600000000, -0.0006348300000000 ] - [ -0.0035996400000000, -0.0007553300000000, 0.0000322100000000 ] - [ -0.0005278100000000, 0.0009403900000000, 0.0003096900000000 ] - [ 0.0028473100000000, 0.0015215100000000, -0.0035004000000000 ] - [ -0.0006962400000000, -0.0001435200000000, 0.0014809400000000 ] - [ -0.0009613000000000, 0.0002723800000000, -0.0010654300000000 ] - [ -0.0011205300000000, 0.0004240800000000, 0.0030433700000000 ] - [ -0.0001374000000000, 0.0000438900000000, -0.0031548600000000 ] - [ -0.0016596900000000, -0.0001317800000000, 0.0029624300000000 ] - [ 0.0066795700000000, 0.0074216600000000, -0.0208420700000000 ] - [ 0.0011705300000000, -0.0017344100000000, -0.0031519900000000 ] - [ -0.0011489000000000, 0.0003319900000000, 0.0036032100000000 ] - [ 0.0634839300000000, 0.0154101900000000, -0.0576278700000000 ] - [ -0.0019327500000000, -0.0003175500000000, 0.0000486600000000 ] - [ -0.0024302700000000, -0.0049048200000000, 0.0059578000000000 ] - [ -0.0023701900000000, 0.0016924400000000, -0.0011080100000000 ] - [ -0.0018238500000000, -0.0019297100000000, 0.0002601400000000 ] - [ 0.0040291100000000, 0.0136788800000000, 0.0015738300000000 ] - [ -0.0002494700000000, -0.0001591800000000, -0.0016354600000000 ] - [ -0.0001076500000000, -0.0003199800000000, 0.0016420400000000 ] - [ 0.0022541300000000, 0.0048116700000000, 0.0028529600000000 ] - [ -0.0010399900000000, -0.0009146300000000, -0.0014098300000000 ] - [ 0.0044487500000000, 0.0021630300000000, 0.0022638000000000 ] - [ -0.0020948200000000, -0.0012863600000000, -0.0012531300000000 ] - [ -0.0024976600000000, -0.0007119400000000, 0.0005207600000000 ] - [ -0.0144342000000000, 0.0096342700000000, -0.0084684500000000 ] - [ 0.0031781300000000, 0.0014804600000000, 0.0046484400000000 ] - [ -0.0017511700000000, 0.0003727600000000, -0.0018956500000000 ] - [ -0.0043184800000000, 0.0017206000000000, 0.0015063800000000 ] - [ -0.0068059700000000, 0.0019377400000000, -0.0051383000000000 ] - [ -0.0032004200000000, -0.0015552500000000, -0.0006980600000000 ] - [ -0.0012891700000000, 0.0004142000000000, 0.0015991500000000 ] - [ 0.2652834200000000, -0.0198941800000000, -0.0260902300000000 ] - [ -0.0037918800000000, 0.0013404800000000, -0.0004958800000000 ] - [ -0.0000758900000000, 0.0000205600000000, 0.0007676600000000 ] - [ -0.0008841900000000, -0.0005572500000000, -0.0014748100000000 ] - [ -0.0031333000000000, 0.0009006000000000, -0.0001031900000000 ] - [ 0.0099012400000000, -0.0047378900000000, 0.0014187900000000 ] - [ 0.0029237100000000, -0.0013342400000000, 0.0020789600000000 ] - [ -0.0010442600000000, 0.0004512800000000, 0.0004216000000000 ] - [ -0.0027887300000000, -0.0005165400000000, 0.0003434700000000 ] - [ -0.0099945300000000, -0.0010655100000000, 0.0126424200000000 ] - [ -0.0005082800000000, -0.0005873700000000, -0.0019312000000000 ] - [ 0.0006859700000000, 0.0008343300000000, 0.0017081500000000 ] - [ -0.0002855600000000, -0.0016206800000000, 0.0049255200000000 ] - [ 0.0004560100000000, 0.0009746000000000, -0.0040421700000000 ] - [ 0.0038241400000000, -0.0033911000000000, 0.0023450400000000 ] - [ -0.0015881700000000, 0.0002901100000000, -0.0007916600000000 ] - [ -0.0032226800000000, -0.0020321100000000, -0.0003913400000000 ] - [ -0.0151781900000000, -0.0093956000000000, -0.0074054400000000 ] - [ 0.0008700000000000, 0.0019327100000000, -0.0010013400000000 ] - [ -0.0000830600000000, 0.0006226900000000, 0.0005089100000000 ] - [ -0.0015603000000000, -0.0021662900000000, 0.0013200600000000 ] - [ -0.0040236100000000, -0.0003152700000000, -0.0033014600000000 ] - [ 0.0013878000000000, 0.0003772200000000, 0.0085613100000000 ] - [ -0.0032134700000000, -0.0008700000000000, -0.0041149100000000 ] - [ -0.0015035000000000, -0.0000004600000000, -0.0009294900000000 ] - [ 0.0021234000000000, 0.0008451100000000, -0.0025289700000000 ] - [ -0.0027251000000000, -0.0012103100000000, -0.0100524700000000 ] - [ 0.0000873100000000, 0.0003797100000000, 0.0027318500000000 ] - [ 0.0016971400000000, -0.0005038500000000, -0.0002043500000000 ] - [ 0.0000702800000000, 0.0004852100000000, 0.0004767300000000 ] - [ 0.0094921700000000, -0.0019319700000000, -0.0040350700000000 ] - [ 0.0122924900000000, 0.0085743400000000, 0.0100121200000000 ] - [ -0.0085228000000000, 0.0042896200000000, 0.0017834700000000 ] - [ 0.0024165900000000, -0.0008426300000000, 0.0003972200000000 ] - [ -0.0087138300000000, -0.0067737500000000, 0.0020699300000000 ] - [ 0.0012065300000000, 0.0013437800000000, -0.0006257500000000 ] - [ -0.5709300000000000, -0.0152673400000000, -0.0224904900000000 ] - [ 0.0052869500000000, -0.0005667800000000, -0.0007394300000000 ] - [ 0.0024315100000000, 0.0053731300000000, 0.0045780800000000 ] - [ 0.0021893500000000, -0.0004934300000000, -0.0027158500000000 ] - [ 0.0027547200000000, -0.0008556900000000, -0.0016934100000000 ] - [ -0.0142339600000000, -0.0012528400000000, 0.0189771700000000 ] - [ 0.0005313900000000, 0.0001780900000000, -0.0046888700000000 ] - [ 0.0020216300000000, -0.0010202800000000, 0.0040132800000000 ] - [ 0.0033711200000000, 0.0011448200000000, 0.0017773100000000 ] - [ -0.0085366900000000, -0.0036465200000000, -0.0039726800000000 ] - [ 0.0008665900000000, 0.0019029100000000, -0.0042664500000000 ] - [ 0.0022132500000000, 0.0004672600000000, 0.0081613200000000 ] - [ -0.0166744400000000, -0.0089385700000000, 0.0039678700000000 ] - [ 0.0043712600000000, 0.0004527500000000, 0.0006002700000000 ] - [ 0.0106048900000000, -0.0002814500000000, 0.0018512400000000 ] - [ 0.0086236100000000, 0.0055757000000000, -0.0157081300000000 ] - [ 0.0046080800000000, 0.0023287900000000, -0.0017816300000000 ] - [ 0.0085847800000000, -0.0076446300000000, 0.0077329800000000 ] - [ -0.0034130300000000, 0.0056377200000000, -0.0087492200000000 ] - [ 0.0039316500000000, -0.0002545800000000, 0.0033375200000000 ] - [ -0.0029116700000000, -0.0205803700000000, -0.0041767100000000 ] - [ 0.0077971000000000, -0.0000465100000000, -0.0011707400000000 ] - [ 0.0070347200000000, 0.0100242200000000, 0.0438907900000000 ] - [ 0.0060714500000000, -0.0016745000000000, -0.0031288000000000 ] - [ 0.0049008400000000, -0.0003676000000000, -0.0025857300000000 ] - [ -0.0035569200000000, -0.0007553600000000, 0.0071570400000000 ] - [ -0.0028490800000000, -0.0006347300000000, -0.0060820800000000 ] - [ 0.0023773600000000, 0.0007818800000000, 0.0063554200000000 ] - [ 0.0062303800000000, 0.0068870300000000, -0.0312272400000000 ] - [ 0.0067695400000000, -0.0003399500000000, 0.0054103600000000 ] - [ -0.0007138400000000, 0.0004540000000000, 0.0038089700000000 ] - [ 0.0007087200000000, -0.0006245800000000, -0.0037174800000000 ] - [ 0.0075080700000000, 0.0016766700000000, -0.0009985400000000 ] - [ 0.0614763800000000, -0.0480098100000000, 0.0222444700000000 ]- atom: 111 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0002593400000000, 0.0001733600000000, -0.0010585200000000 ] - [ -0.0002997400000000, 0.0002986800000000, 0.0011561200000000 ] - [ 0.0012053700000000, -0.0003322500000000, 0.0009382100000000 ] - [ -0.0005535200000000, 0.0002732400000000, -0.0010638500000000 ] - [ -0.0000778100000000, 0.0023343800000000, 0.0027432600000000 ] - [ -0.0009945700000000, -0.0003637400000000, -0.0002794600000000 ] - [ -0.0014835700000000, 0.0002037200000000, -0.0001271400000000 ] - [ -0.0112834700000000, -0.0138313400000000, 0.0040709800000000 ] - [ 0.0035692500000000, 0.0059361100000000, 0.0013331800000000 ] - [ 0.0019961900000000, -0.0000154800000000, -0.0012632300000000 ] - [ 0.0006324900000000, 0.0006163400000000, -0.0013329100000000 ] - [ 0.0043004800000000, -0.0029176700000000, -0.0012304300000000 ] - [ -0.0077973700000000, -0.0066176300000000, 0.0075876000000000 ] - [ 0.0009348800000000, 0.0017802700000000, -0.0004044100000000 ] - [ 0.0030161600000000, -0.0033153900000000, -0.0020211400000000 ] - [ -0.0007245500000000, 0.0031729200000000, 0.0044311200000000 ] - [ -0.0017871400000000, -0.0010503500000000, -0.0001551500000000 ] - [ 0.0010828400000000, -0.0005348200000000, -0.0001476800000000 ] - [ 0.0001479600000000, -0.0001981200000000, 0.0006366400000000 ] - [ 0.0006487700000000, 0.0001121000000000, -0.0012939600000000 ] - [ -0.1168288500000000, -0.0817408400000000, -0.0771182300000000 ] - [ 0.0017272000000000, 0.0002469600000000, 0.0008180800000000 ] - [ -0.0003639500000000, 0.0006740100000000, -0.0018449400000000 ] - [ 0.0012958100000000, -0.0013081400000000, 0.0042294300000000 ] - [ 0.0080256600000000, -0.0011404200000000, 0.0024272800000000 ] - [ 0.0054937600000000, -0.0001550300000000, -0.0024526200000000 ] - [ 0.0019352000000000, 0.0003951800000000, 0.0002900700000000 ] - [ -0.0065081900000000, -0.0016737600000000, 0.0010362800000000 ] - [ 0.0014817800000000, -0.0004548200000000, -0.0015712700000000 ] - [ 0.0023106800000000, -0.0005233300000000, 0.0013829800000000 ] - [ 0.0027786900000000, -0.0028786200000000, -0.0018653700000000 ] - [ 0.0055765500000000, 0.0039087500000000, -0.0003718100000000 ] - [ -0.0086212000000000, 0.0060160700000000, 0.0046665200000000 ] - [ 0.0017695700000000, -0.0009898900000000, -0.0007957700000000 ] - [ 0.0023748400000000, 0.0014030300000000, -0.0014856200000000 ] - [ -0.0003659000000000, -0.0024716900000000, 0.0025427500000000 ] - [ -0.0027079600000000, -0.0000499200000000, 0.0008289300000000 ] - [ 0.0003726900000000, 0.0000595300000000, 0.0002810500000000 ] - [ -0.0602009600000000, 0.0472342100000000, -0.0118743000000000 ] - [ 0.0014255300000000, -0.0012991600000000, -0.0000699900000000 ] - [ 0.0000578000000000, -0.0003996600000000, -0.0018702000000000 ] - [ -0.0001865200000000, 0.0014742000000000, 0.0059678400000000 ] - [ -0.0113030600000000, -0.0053788900000000, 0.0002467700000000 ] - [ 0.0046018500000000, 0.0013949800000000, -0.0004206100000000 ] - [ 0.0017293200000000, -0.0009843000000000, -0.0006587100000000 ] - [ -0.0016474500000000, -0.0015628700000000, 0.0031501200000000 ] - [ -0.0005074600000000, 0.0000950900000000, -0.0011301200000000 ] - [ -0.0002419600000000, -0.0003189300000000, 0.0014152200000000 ] - [ 0.0007224600000000, -0.0000028500000000, -0.0044862400000000 ] - [ -0.0002617100000000, 0.0003771900000000, 0.0017142400000000 ] - [ 0.0020547000000000, 0.0005509000000000, -0.0015167200000000 ] - [ -0.0062467400000000, -0.0070185500000000, 0.0222696400000000 ] - [ -0.0007687000000000, 0.0013149900000000, 0.0045889900000000 ] - [ 0.0015514400000000, -0.0007533000000000, -0.0021694700000000 ] - [ -0.0647124700000000, -0.0157270400000000, 0.0559373600000000 ] - [ 0.0015279400000000, -0.0001052300000000, -0.0014796100000000 ] - [ 0.0026588900000000, 0.0041670500000000, -0.0066626800000000 ] - [ 0.0025685000000000, -0.0024227800000000, 0.0004258100000000 ] - [ 0.0016182200000000, 0.0011900700000000, 0.0004155200000000 ] - [ -0.0042099100000000, -0.0143873600000000, -0.0008850800000000 ] - [ 0.0000471900000000, 0.0008998700000000, 0.0023160500000000 ] - [ -0.0000938400000000, 0.0010585800000000, -0.0009681600000000 ] - [ -0.0020539900000000, -0.0040991800000000, -0.0035437200000000 ] - [ 0.0012403900000000, 0.0016468400000000, 0.0007336200000000 ] - [ -0.0053070900000000, -0.0029301200000000, -0.0031331100000000 ] - [ 0.0012450300000000, 0.0005235500000000, 0.0003888800000000 ] - [ 0.0033430300000000, -0.0000636300000000, 0.0003531700000000 ] - [ 0.0152169300000000, -0.0103658700000000, 0.0093008300000000 ] - [ -0.0030215800000000, -0.0012026400000000, -0.0038928500000000 ] - [ 0.0019007400000000, -0.0000839100000000, 0.0026656400000000 ] - [ 0.0035137200000000, -0.0009862900000000, -0.0023213000000000 ] - [ 0.0059628400000000, -0.0011783900000000, 0.0042782700000000 ] - [ 0.0025451400000000, 0.0018621800000000, 0.0012549500000000 ] - [ 0.0006292900000000, -0.0001086200000000, -0.0010425500000000 ] - [ -0.2858389300000000, 0.0240731200000000, 0.0273171800000000 ] - [ 0.0044464500000000, -0.0010359300000000, -0.0000618600000000 ] - [ 0.0007449200000000, -0.0003226900000000, -0.0013262600000000 ] - [ 0.0015507900000000, 0.0002559100000000, 0.0009170000000000 ] - [ 0.0024635600000000, -0.0012015600000000, 0.0006615800000000 ] - [ -0.0105807100000000, 0.0044464500000000, -0.0008712100000000 ] - [ -0.0022922700000000, 0.0015404900000000, -0.0018936600000000 ] - [ 0.0016810200000000, -0.0002790900000000, -0.0002381800000000 ] - [ 0.0021453200000000, 0.0006868000000000, -0.0005345100000000 ] - [ 0.0093419300000000, 0.0012211800000000, -0.0127740100000000 ] - [ -0.0001317100000000, 0.0004170100000000, 0.0017479000000000 ] - [ -0.0013247600000000, -0.0010107600000000, -0.0019015700000000 ] - [ 0.0009288300000000, 0.0014551100000000, -0.0047677300000000 ] - [ 0.0001825700000000, -0.0011491400000000, 0.0042371000000000 ] - [ -0.0040220400000000, 0.0019745000000000, -0.0023720400000000 ] - [ 0.0013965400000000, -0.0017150800000000, 0.0007656600000000 ] - [ 0.0033974400000000, 0.0005984100000000, 0.0004218800000000 ] - [ 0.0154037300000000, 0.0079201100000000, 0.0074386500000000 ] - [ -0.0006822600000000, -0.0005092200000000, 0.0010255900000000 ] - [ 0.0002708400000000, 0.0008039800000000, -0.0004886900000000 ] - [ 0.0013974800000000, 0.0036158700000000, -0.0013282300000000 ] - [ 0.0038225100000000, 0.0017387500000000, 0.0032678800000000 ] - [ -0.0012357900000000, -0.0006737700000000, -0.0077955300000000 ] - [ 0.0033582200000000, 0.0005795800000000, 0.0048730900000000 ] - [ 0.0013509300000000, -0.0002875600000000, 0.0001613500000000 ] - [ -0.0022752300000000, -0.0011256500000000, 0.0017656900000000 ] - [ 0.0025875400000000, 0.0015053700000000, 0.0093268000000000 ] - [ -0.0002380700000000, -0.0000910000000000, -0.0035097200000000 ] - [ -0.0008509900000000, 0.0012694300000000, 0.0010683600000000 ] - [ 0.0007750100000000, 0.0002756900000000, 0.0003828300000000 ] - [ -0.0101639700000000, 0.0024243200000000, 0.0036150900000000 ] - [ -0.0130384300000000, -0.0081121100000000, -0.0103724000000000 ] - [ 0.0092651300000000, -0.0038279200000000, -0.0014468100000000 ] - [ -0.0016876100000000, 0.0013149000000000, -0.0000490800000000 ] - [ 0.0080048000000000, 0.0063153700000000, -0.0024154300000000 ] - [ -0.0019290800000000, -0.0018155000000000, 0.0002873000000000 ] - [ 0.5938318600000000, 0.0071813400000000, 0.0170820400000000 ] - [ -0.0050539100000000, 0.0007096600000000, 0.0000685800000000 ] - [ -0.0026625900000000, -0.0052432400000000, -0.0039125800000000 ] - [ -0.0024166900000000, 0.0006337100000000, 0.0033840700000000 ] - [ -0.0029708600000000, 0.0007121000000000, 0.0023515300000000 ] - [ 0.0140394200000000, 0.0011111900000000, -0.0183257900000000 ] - [ -0.0003149900000000, -0.0003178300000000, 0.0040241300000000 ] - [ -0.0018016400000000, 0.0008775900000000, -0.0046770500000000 ] - [ -0.0026623900000000, -0.0009574300000000, -0.0031159200000000 ] - [ 0.0092578500000000, 0.0038537500000000, 0.0026481500000000 ] - [ -0.0015780900000000, -0.0017246900000000, 0.0056159000000000 ] - [ -0.0029259000000000, -0.0002822800000000, -0.0068386400000000 ] - [ 0.0159913800000000, 0.0087216400000000, -0.0026455700000000 ] - [ -0.0050674600000000, -0.0006373900000000, 0.0007353800000000 ] - [ -0.0098834400000000, 0.0000925400000000, -0.0031704400000000 ] - [ -0.0079402400000000, -0.0057148700000000, 0.0143780900000000 ] - [ -0.0039111900000000, -0.0027941700000000, 0.0020956100000000 ] - [ -0.0078433300000000, 0.0071450100000000, -0.0073715200000000 ] - [ 0.0036554000000000, -0.0047471400000000, 0.0097856300000000 ] - [ -0.0036920200000000, 0.0011621600000000, -0.0023181400000000 ] - [ 0.0023171400000000, 0.0197569400000000, 0.0036219900000000 ] - [ -0.0082845400000000, -0.0007251100000000, 0.0006197500000000 ] - [ -0.0065880400000000, -0.0107303000000000, -0.0432596600000000 ] - [ -0.0055808000000000, 0.0009138600000000, 0.0036810100000000 ] - [ -0.0044000400000000, 0.0011220500000000, 0.0031234100000000 ] - [ 0.0040472400000000, 0.0015116200000000, -0.0066191200000000 ] - [ 0.0023594500000000, 0.0014038000000000, 0.0055367500000000 ] - [ -0.0028701500000000, -0.0000141900000000, -0.0068930500000000 ] - [ -0.0060637900000000, -0.0077881900000000, 0.0321901500000000 ] - [ -0.0065251800000000, -0.0005672200000000, -0.0044040600000000 ] - [ 0.0004761100000000, -0.0013747200000000, -0.0048220700000000 ] - [ -0.0009487400000000, -0.0002920900000000, 0.0027143200000000 ] - [ -0.0077202100000000, -0.0007487000000000, -0.0000149000000000 ] - [ -0.0619105500000000, 0.0490237300000000, -0.0232164000000000 ]- atom: 111 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000977900000000, -0.0004608200000000, 0.0003788800000000 ] - [ -0.0001983200000000, -0.0004418300000000, 0.0002203200000000 ] - [ 0.0002904800000000, 0.0017551800000000, 0.0004372900000000 ] - [ -0.0000749900000000, 0.0001044200000000, 0.0003201900000000 ] - [ -0.0004452500000000, 0.0008901800000000, -0.0001390900000000 ] - [ 0.0003735400000000, 0.0006207600000000, -0.0001748600000000 ] - [ -0.0006538300000000, -0.0002328900000000, -0.0006171300000000 ] - [ 0.0087893500000000, -0.0043416700000000, -0.0004110800000000 ] - [ -0.0036374100000000, -0.0129875500000000, 0.0011669800000000 ] - [ 0.0004906100000000, -0.0004682700000000, -0.0002480900000000 ] - [ 0.0105610300000000, -0.0137195300000000, -0.0089668000000000 ] - [ 0.0007403100000000, 0.0001059300000000, -0.0007814900000000 ] - [ 0.0046202300000000, 0.0094989700000000, -0.0053088800000000 ] - [ -0.0006365800000000, 0.0006924100000000, 0.0006243400000000 ] - [ 0.0027423700000000, -0.0006722900000000, -0.0030084300000000 ] - [ -0.0017087800000000, 0.0008634200000000, 0.0012499200000000 ] - [ 0.0025293200000000, -0.0001440200000000, -0.0021715800000000 ] - [ -0.0000419300000000, -0.0012353500000000, -0.0002781300000000 ] - [ 0.0087826500000000, -0.0110739300000000, 0.0143780900000000 ] - [ -0.0001772600000000, 0.0000142800000000, -0.0007220000000000 ] - [ 0.0808237400000000, 0.1503723000000000, 0.0974642200000000 ] - [ 0.0002663000000000, 0.0000640200000000, 0.0005811800000000 ] - [ 0.0000623500000000, 0.0002608300000000, -0.0002818800000000 ] - [ -0.0008258900000000, 0.0004780300000000, -0.0006783800000000 ] - [ -0.0105721100000000, 0.0044145400000000, -0.0005610000000000 ] - [ -0.0000180800000000, 0.0006455100000000, 0.0000664900000000 ] - [ 0.0008233000000000, 0.0000135800000000, -0.0000827100000000 ] - [ -0.0039613200000000, -0.0005389400000000, -0.0024289100000000 ] - [ 0.0007183800000000, -0.0006633900000000, -0.0002257900000000 ] - [ -0.0010485600000000, -0.0003176000000000, -0.0009655400000000 ] - [ 0.0164193800000000, 0.0071646100000000, -0.0089325800000000 ] - [ 0.0004003300000000, 0.0008196200000000, 0.0000046300000000 ] - [ 0.0060664000000000, -0.0062061200000000, -0.0054608700000000 ] - [ -0.0000556100000000, -0.0001441300000000, -0.0000308500000000 ] - [ 0.0014879700000000, -0.0011484600000000, -0.0017521300000000 ] - [ -0.0010689200000000, -0.0011924100000000, 0.0001596600000000 ] - [ 0.0013835100000000, 0.0006752400000000, -0.0005443900000000 ] - [ -0.0007464400000000, 0.0005766500000000, 0.0002279600000000 ] - [ -0.0289497000000000, 0.2870220000000000, -0.0567390000000000 ] - [ -0.0004642000000000, 0.0001185000000000, 0.0001262700000000 ] - [ -0.0001015700000000, -0.0002671100000000, -0.0013002200000000 ] - [ 0.0001549000000000, 0.0000062000000000, 0.0004689100000000 ] - [ -0.0109732100000000, -0.0128693700000000, -0.0000454000000000 ] - [ 0.0010849500000000, 0.0004040700000000, -0.0001314700000000 ] - [ 0.0013814100000000, -0.0010336700000000, -0.0005625200000000 ] - [ 0.0011535500000000, -0.0029684100000000, -0.0000891000000000 ] - [ -0.0001127000000000, 0.0010987400000000, -0.0000679100000000 ] - [ -0.0006845100000000, 0.0008476800000000, 0.0000035900000000 ] - [ -0.0005107900000000, 0.0004369800000000, -0.0001297400000000 ] - [ -0.0004266900000000, 0.0005792200000000, -0.0004235600000000 ] - [ 0.0005282100000000, 0.0002137700000000, 0.0003152400000000 ] - [ 0.0017023600000000, -0.0012442300000000, 0.0033638500000000 ] - [ 0.0000136600000000, -0.0024022500000000, 0.0042727600000000 ] - [ 0.0003216100000000, -0.0004319200000000, 0.0001124300000000 ] - [ 0.0117239700000000, 0.0623384400000000, -0.0474223900000000 ] - [ 0.0001722400000000, -0.0000724100000000, -0.0012806100000000 ] - [ -0.0004930300000000, 0.0016898600000000, -0.0003406900000000 ] - [ -0.0013535300000000, 0.0017651000000000, 0.0004227300000000 ] - [ 0.0000403900000000, -0.0004812400000000, 0.0006612200000000 ] - [ -0.0022408700000000, -0.0084593500000000, 0.0007114300000000 ] - [ 0.0000412500000000, -0.0011676500000000, -0.0004689900000000 ] - [ 0.0001979500000000, -0.0008022300000000, 0.0003338400000000 ] - [ 0.0009662900000000, 0.0071672900000000, -0.0008431900000000 ] - [ 0.0004887600000000, 0.0007837300000000, -0.0005931300000000 ] - [ 0.0008757800000000, 0.0018774300000000, 0.0022014100000000 ] - [ -0.0004312100000000, -0.0001219400000000, -0.0003445700000000 ] - [ 0.0015091900000000, -0.0033254200000000, 0.0009920900000000 ] - [ 0.0011958700000000, -0.0010775800000000, 0.0007459300000000 ] - [ -0.0024415300000000, -0.0010553000000000, -0.0185708500000000 ] - [ 0.0002862500000000, 0.0002008600000000, 0.0001913300000000 ] - [ -0.0056722300000000, 0.0059735200000000, -0.0035804200000000 ] - [ -0.0001545700000000, 0.0007738700000000, -0.0001570700000000 ] - [ 0.0017748000000000, -0.0018538900000000, 0.0020409900000000 ] - [ -0.0009704700000000, -0.0004420400000000, 0.0004396800000000 ] - [ -0.0353489000000000, 0.0580405700000000, 0.0035102900000000 ] - [ 0.0008982300000000, 0.0001158500000000, -0.0000909100000000 ] - [ 0.0005501700000000, 0.0001616500000000, -0.0004967600000000 ] - [ -0.0002383100000000, -0.0000324700000000, -0.0003287900000000 ] - [ 0.0003335300000000, -0.0004695200000000, 0.0000634800000000 ] - [ 0.0001437600000000, -0.0017974300000000, 0.0020485200000000 ] - [ -0.0049227100000000, -0.0033085400000000, 0.0033347400000000 ] - [ 0.0005693800000000, 0.0001599600000000, 0.0006591900000000 ] - [ -0.0020778200000000, -0.0005616300000000, 0.0017536500000000 ] - [ 0.0011063700000000, 0.0003549400000000, -0.0014602000000000 ] - [ 0.0000264200000000, -0.0003767300000000, -0.0006820200000000 ] - [ -0.0000026100000000, -0.0010353300000000, -0.0058288600000000 ] - [ -0.0004796900000000, 0.0001254800000000, 0.0025603500000000 ] - [ 0.0005530500000000, 0.0004586500000000, -0.0022705500000000 ] - [ 0.0021171900000000, -0.0037317400000000, 0.0008342500000000 ] - [ 0.0000438700000000, -0.0010521000000000, 0.0002109500000000 ] - [ 0.0029150300000000, 0.0029980800000000, 0.0002030600000000 ] - [ 0.0031001100000000, 0.0019933700000000, 0.0016376700000000 ] - [ 0.0001655300000000, 0.0024525800000000, -0.0006215000000000 ] - [ -0.0002933500000000, 0.0012885000000000, -0.0003872400000000 ] - [ -0.0032511900000000, -0.0049129900000000, -0.0018729900000000 ] - [ -0.0001984300000000, 0.0003404500000000, -0.0001883000000000 ] - [ 0.0004376300000000, 0.0003971700000000, 0.0002083800000000 ] - [ -0.0019699400000000, -0.0002965900000000, -0.0006045000000000 ] - [ 0.0005951200000000, -0.0004359600000000, 0.0001448700000000 ] - [ -0.0035515900000000, -0.0018923300000000, -0.0031159800000000 ] - [ -0.0033150000000000, -0.0009284000000000, -0.0092578000000000 ] - [ 0.0000586200000000, -0.0001299600000000, -0.0000279000000000 ] - [ -0.0000136700000000, -0.0018582300000000, -0.0010410800000000 ] - [ -0.0001652000000000, -0.0002002900000000, 0.0000570800000000 ] - [ -0.0085944000000000, -0.0127357200000000, 0.0114168900000000 ] - [ -0.0006658500000000, -0.0025273600000000, -0.0016601300000000 ] - [ -0.0059576900000000, 0.0061307400000000, 0.0044388300000000 ] - [ 0.0010079400000000, 0.0014078400000000, -0.0000893800000000 ] - [ -0.0054127000000000, -0.0078546100000000, 0.0005333800000000 ] - [ 0.0003950300000000, -0.0011238300000000, -0.0001213300000000 ] - [ -0.0159832300000000, -0.6154843600000000, -0.0225333200000000 ] - [ -0.0005290500000000, -0.0001235200000000, -0.0000514800000000 ] - [ -0.0054064900000000, 0.0170497400000000, -0.0104301500000000 ] - [ 0.0004443800000000, 0.0006107200000000, 0.0007741600000000 ] - [ -0.0008961400000000, 0.0009157900000000, 0.0012225400000000 ] - [ -0.0012826800000000, 0.0034247600000000, -0.0037956500000000 ] - [ -0.0001386100000000, -0.0013182500000000, -0.0000169600000000 ] - [ 0.0010582000000000, -0.0014213900000000, -0.0000001900000000 ] - [ -0.0009374000000000, -0.0000350300000000, -0.0000015200000000 ] - [ 0.0044046400000000, -0.0068504200000000, 0.0168499800000000 ] - [ -0.0004068900000000, 0.0019016100000000, -0.0000654700000000 ] - [ 0.0014705200000000, 0.0019242200000000, 0.0057280800000000 ] - [ 0.0141212800000000, 0.0123053400000000, 0.0006537300000000 ] - [ -0.0013261800000000, 0.0002732300000000, -0.0000616600000000 ] - [ 0.0085865700000000, -0.0011434100000000, -0.0023020000000000 ] - [ -0.0007329800000000, -0.0028648300000000, 0.0003278700000000 ] - [ -0.0013565600000000, 0.0105885300000000, 0.0062475900000000 ] - [ 0.0002281200000000, 0.0013741400000000, -0.0004142400000000 ] - [ 0.0030017900000000, 0.0014635100000000, -0.0050194600000000 ] - [ -0.0006077100000000, -0.0009646700000000, -0.0005066100000000 ] - [ -0.0481153900000000, 0.0751286800000000, 0.0214285600000000 ] - [ -0.0007088000000000, -0.0006330700000000, 0.0000709400000000 ] - [ 0.0181491600000000, 0.0071130600000000, 0.0459729600000000 ] - [ -0.0001108800000000, -0.0001181200000000, 0.0000680800000000 ] - [ -0.0032244900000000, 0.0016729600000000, 0.0021063800000000 ] - [ 0.0046114900000000, 0.0027191900000000, 0.0038582300000000 ] - [ -0.0019353800000000, -0.0006621800000000, 0.0013364700000000 ] - [ 0.0014297600000000, -0.0004029200000000, 0.0000525300000000 ] - [ 0.0129584600000000, -0.0021035900000000, -0.0191001100000000 ] - [ -0.0008118800000000, -0.0006078500000000, 0.0018623600000000 ] - [ 0.0014539100000000, 0.0006930800000000, -0.0015051200000000 ] - [ -0.0005740700000000, 0.0003095400000000, 0.0020487900000000 ] - [ -0.0006069000000000, -0.0005278000000000, -0.0026531500000000 ] - [ -0.0168196100000000, 0.0093666800000000, -0.0024419500000000 ]- atom: 111 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001199200000000, 0.0004861400000000, -0.0003971300000000 ] - [ -0.0000198600000000, 0.0004686500000000, -0.0002360800000000 ] - [ -0.0000683100000000, -0.0017361800000000, -0.0004230300000000 ] - [ 0.0002940400000000, -0.0000824100000000, -0.0003036000000000 ] - [ 0.0006565600000000, -0.0009173600000000, 0.0001634900000000 ] - [ -0.0001553500000000, -0.0006440200000000, 0.0001925000000000 ] - [ 0.0004342400000000, 0.0002106900000000, 0.0005992800000000 ] - [ -0.0091015500000000, 0.0043295300000000, 0.0004044300000000 ] - [ 0.0048352400000000, 0.0130321300000000, -0.0015338600000000 ] - [ 0.0007164900000000, 0.0005179700000000, -0.0001035500000000 ] - [ -0.0093190800000000, 0.0146231300000000, 0.0075959600000000 ] - [ 0.0004647100000000, 0.0008582000000000, -0.0005606000000000 ] - [ -0.0058418400000000, -0.0085633800000000, 0.0066450500000000 ] - [ -0.0005648300000000, 0.0002724300000000, 0.0007171900000000 ] - [ -0.0039437400000000, -0.0002983600000000, 0.0043523800000000 ] - [ 0.0005129800000000, -0.0018358800000000, 0.0000901800000000 ] - [ -0.0013263700000000, -0.0008172300000000, 0.0008252100000000 ] - [ 0.0012448200000000, 0.0002713400000000, -0.0010638200000000 ] - [ -0.0088994900000000, 0.0110567400000000, -0.0153409900000000 ] - [ 0.0000545500000000, -0.0000221200000000, -0.0002810800000000 ] - [ -0.0767065100000000, -0.1476386600000000, -0.0911696700000000 ] - [ -0.0001386800000000, -0.0000704500000000, 0.0004254100000000 ] - [ 0.0000630800000000, -0.0002528700000000, 0.0012813200000000 ] - [ 0.0009565800000000, -0.0004749900000000, 0.0016922900000000 ] - [ 0.0095891000000000, -0.0037910900000000, 0.0009453800000000 ] - [ -0.0009843300000000, -0.0000082700000000, 0.0003214700000000 ] - [ -0.0018295000000000, -0.0006544200000000, 0.0004713600000000 ] - [ 0.0029481300000000, -0.0001047400000000, 0.0028274100000000 ] - [ 0.0002968400000000, 0.0000233300000000, -0.0001667600000000 ] - [ 0.0020671500000000, -0.0003228300000000, 0.0005816200000000 ] - [ -0.0164194800000000, -0.0069480300000000, 0.0090695900000000 ] - [ -0.0003685000000000, -0.0006341900000000, 0.0001115300000000 ] - [ -0.0061241500000000, 0.0064124200000000, 0.0053299700000000 ] - [ 0.0000259500000000, 0.0003325600000000, -0.0000854200000000 ] - [ -0.0015112000000000, 0.0009611200000000, 0.0016293000000000 ] - [ 0.0010448300000000, 0.0010080700000000, -0.0002754400000000 ] - [ -0.0013522700000000, -0.0008690800000000, 0.0006560200000000 ] - [ 0.0007784800000000, -0.0007666400000000, -0.0001123700000000 ] - [ 0.0322815400000000, -0.3092005400000000, 0.0615010100000000 ] - [ -0.0007376900000000, -0.0000747300000000, 0.0002249000000000 ] - [ -0.0000254100000000, 0.0002725300000000, 0.0002912500000000 ] - [ -0.0002807200000000, 0.0000038500000000, -0.0014663700000000 ] - [ 0.0119225300000000, 0.0134573700000000, -0.0003333800000000 ] - [ -0.0000742300000000, 0.0002377300000000, -0.0002575700000000 ] - [ -0.0001772800000000, 0.0009876700000000, 0.0002103900000000 ] - [ 0.0000470500000000, 0.0029313000000000, -0.0002577500000000 ] - [ -0.0010899100000000, -0.0011465400000000, 0.0004160400000000 ] - [ -0.0005185200000000, -0.0008961400000000, 0.0003486500000000 ] - [ 0.0001174700000000, -0.0000192100000000, -0.0013223300000000 ] - [ 0.0000259600000000, -0.0001588200000000, -0.0010098600000000 ] - [ -0.0001267300000000, 0.0002074800000000, 0.0011199800000000 ] - [ -0.0012881000000000, 0.0016810100000000, -0.0019275700000000 ] - [ 0.0003852700000000, 0.0019806400000000, -0.0028275700000000 ] - [ 0.0000825300000000, 0.0000107600000000, 0.0013210600000000 ] - [ -0.0122565000000000, -0.0636415000000000, 0.0465137100000000 ] - [ -0.0005726200000000, -0.0003490300000000, -0.0001551300000000 ] - [ 0.0007012200000000, -0.0024388900000000, -0.0003384100000000 ] - [ 0.0015602700000000, -0.0025040800000000, -0.0010998500000000 ] - [ -0.0002415500000000, -0.0002521300000000, 0.0000160300000000 ] - [ 0.0020652100000000, 0.0077341000000000, -0.0000239000000000 ] - [ -0.0002451400000000, 0.0019109900000000, 0.0011505100000000 ] - [ -0.0004014000000000, 0.0015443300000000, 0.0003415900000000 ] - [ -0.0007722300000000, -0.0064603200000000, 0.0001656300000000 ] - [ -0.0002864700000000, -0.0000498400000000, -0.0000838100000000 ] - [ -0.0017265900000000, -0.0026486400000000, -0.0030810300000000 ] - [ -0.0004143100000000, -0.0006396800000000, -0.0005161700000000 ] - [ -0.0006574800000000, 0.0025521400000000, -0.0001270600000000 ] - [ -0.0003527900000000, 0.0003156300000000, 0.0001157000000000 ] - [ 0.0025564100000000, 0.0013764800000000, 0.0193422000000000 ] - [ -0.0001341500000000, 0.0000867600000000, 0.0005801100000000 ] - [ 0.0048529400000000, -0.0052314000000000, 0.0027264200000000 ] - [ -0.0006914700000000, -0.0000143700000000, -0.0007056100000000 ] - [ -0.0024299800000000, 0.0021558400000000, -0.0014788000000000 ] - [ 0.0003196500000000, 0.0007476500000000, 0.0001150700000000 ] - [ 0.0373179400000000, -0.0584342600000000, -0.0041101100000000 ] - [ -0.0002317200000000, 0.0001855300000000, -0.0004662200000000 ] - [ 0.0001156400000000, -0.0004649400000000, -0.0000632200000000 ] - [ 0.0009029100000000, -0.0002706300000000, -0.0002281000000000 ] - [ -0.0009968700000000, 0.0001670700000000, 0.0004940300000000 ] - [ -0.0008267200000000, 0.0015169900000000, -0.0014880400000000 ] - [ 0.0055879500000000, 0.0035083600000000, -0.0031673600000000 ] - [ 0.0000699000000000, 0.0000112700000000, -0.0004734000000000 ] - [ 0.0014420000000000, 0.0007354500000000, -0.0019419200000000 ] - [ -0.0017539200000000, -0.0001761700000000, 0.0012881100000000 ] - [ -0.0006646500000000, 0.0002049700000000, 0.0004961000000000 ] - [ -0.0006386200000000, 0.0008618600000000, 0.0056519400000000 ] - [ 0.0011281600000000, -0.0002914000000000, -0.0024166600000000 ] - [ 0.0000845000000000, -0.0006336700000000, 0.0024700400000000 ] - [ -0.0023130000000000, 0.0023132600000000, -0.0008678800000000 ] - [ -0.0002325400000000, -0.0003749400000000, -0.0002339500000000 ] - [ -0.0027210500000000, -0.0044241700000000, -0.0001760000000000 ] - [ -0.0029223800000000, -0.0034330700000000, -0.0016185300000000 ] - [ 0.0000190300000000, -0.0010269400000000, 0.0006417400000000 ] - [ 0.0004838200000000, 0.0001357900000000, 0.0004111200000000 ] - [ 0.0030564400000000, 0.0063480400000000, 0.0018561700000000 ] - [ 0.0000112800000000, 0.0010881200000000, 0.0001657800000000 ] - [ -0.0002866600000000, -0.0006883000000000, 0.0005580400000000 ] - [ 0.0021256500000000, 0.0000092500000000, 0.0013788600000000 ] - [ -0.0007447100000000, 0.0001475300000000, -0.0009140300000000 ] - [ 0.0034133300000000, 0.0016082800000000, 0.0023731500000000 ] - [ 0.0031861800000000, 0.0012201600000000, 0.0085490800000000 ] - [ -0.0002100800000000, 0.0004203400000000, -0.0007511000000000 ] - [ 0.0008550900000000, 0.0026193500000000, 0.0018986100000000 ] - [ 0.0010140400000000, 0.0009635700000000, 0.0008058300000000 ] - [ 0.0078718500000000, 0.0132456100000000, -0.0117857600000000 ] - [ -0.0000635600000000, 0.0030121400000000, 0.0013209200000000 ] - [ 0.0066920200000000, -0.0056644100000000, -0.0040815900000000 ] - [ -0.0002845900000000, -0.0009368100000000, 0.0004322200000000 ] - [ 0.0047008200000000, 0.0073987900000000, -0.0008602100000000 ] - [ -0.0011228800000000, 0.0006520400000000, -0.0002231200000000 ] - [ 0.0064413700000000, 0.6370285200000000, 0.0115404000000000 ] - [ 0.0007482800000000, 0.0002674900000000, -0.0006173900000000 ] - [ 0.0051837700000000, -0.0168886200000000, 0.0110867500000000 ] - [ -0.0006818500000000, -0.0004711300000000, -0.0001049900000000 ] - [ 0.0006734200000000, -0.0010581100000000, -0.0005520300000000 ] - [ 0.0010711400000000, -0.0035773200000000, 0.0044418100000000 ] - [ 0.0003582100000000, 0.0011779500000000, -0.0006375400000000 ] - [ -0.0008386500000000, 0.0012834400000000, -0.0006738100000000 ] - [ 0.0016383200000000, 0.0002231000000000, -0.0013349700000000 ] - [ -0.0036960200000000, 0.0070626300000000, -0.0182383400000000 ] - [ -0.0003031700000000, -0.0017336900000000, 0.0014172000000000 ] - [ -0.0021801100000000, -0.0017473100000000, -0.0044153700000000 ] - [ -0.0148372900000000, -0.0125127300000000, 0.0006551800000000 ] - [ 0.0006197300000000, -0.0004611900000000, 0.0013972500000000 ] - [ -0.0078997300000000, 0.0009535200000000, 0.0009657200000000 ] - [ 0.0014327200000000, 0.0026930200000000, -0.0016651300000000 ] - [ 0.0020827200000000, -0.0110441400000000, -0.0058982300000000 ] - [ 0.0004904400000000, -0.0018525500000000, 0.0007577700000000 ] - [ -0.0027926000000000, -0.0005448800000000, 0.0060723000000000 ] - [ 0.0008403000000000, 0.0018813000000000, 0.0015132900000000 ] - [ 0.0477507400000000, -0.0761375600000000, -0.0219025900000000 ] - [ 0.0002097900000000, -0.0001295500000000, -0.0006205000000000 ] - [ -0.0175731300000000, -0.0078577400000000, -0.0453034700000000 ] - [ 0.0005988200000000, -0.0006470600000000, 0.0004836600000000 ] - [ 0.0037138600000000, -0.0009115000000000, -0.0015549800000000 ] - [ -0.0041382300000000, -0.0019523800000000, -0.0033427100000000 ] - [ 0.0014367300000000, 0.0014294600000000, -0.0018755100000000 ] - [ -0.0019293600000000, 0.0011697800000000, -0.0006058700000000 ] - [ -0.0126896200000000, 0.0011710900000000, 0.0200814800000000 ] - [ 0.0010478300000000, -0.0003084100000000, -0.0008571900000000 ] - [ -0.0016814800000000, -0.0016158300000000, 0.0004961400000000 ] - [ 0.0003374500000000, -0.0012278000000000, -0.0030602900000000 ] - [ 0.0003669900000000, 0.0014413400000000, 0.0016432200000000 ] - [ 0.0165284400000000, -0.0085368500000000, 0.0014211400000000 ]- atom: 111 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ 0.0002687500000000, -0.0001204800000000, 0.0005956000000000 ] - [ -0.0010077300000000, 0.0011670500000000, 0.0030928600000000 ] - [ 0.0005077500000000, -0.0020052100000000, 0.0016927300000000 ] - [ -0.0004652700000000, 0.0000671400000000, 0.0001280200000000 ] - [ -0.0011321000000000, 0.0014206300000000, 0.0012524400000000 ] - [ 0.0006674600000000, -0.0000288900000000, -0.0004392100000000 ] - [ -0.0009397800000000, 0.0002642100000000, -0.0010391200000000 ] - [ -0.0086491800000000, -0.0085263700000000, 0.0001610200000000 ] - [ -0.0028567500000000, -0.0060031800000000, 0.0001794300000000 ] - [ 0.0020535900000000, 0.0004731400000000, -0.0013566300000000 ] - [ -0.0015965200000000, 0.0056115200000000, 0.0049191000000000 ] - [ 0.0025090900000000, -0.0015724200000000, -0.0009045800000000 ] - [ 0.0000184900000000, 0.0030081900000000, -0.0052470700000000 ] - [ 0.0000209300000000, 0.0013437400000000, -0.0006708400000000 ] - [ 0.0047165300000000, -0.0058604500000000, -0.0009120100000000 ] - [ -0.0021767600000000, 0.0027319600000000, 0.0038408700000000 ] - [ 0.0028519000000000, 0.0009003800000000, -0.0033580800000000 ] - [ -0.0002236900000000, -0.0009153000000000, -0.0010238600000000 ] - [ 0.0003669700000000, -0.0019906000000000, 0.0034659500000000 ] - [ 0.0006768700000000, 0.0001877900000000, -0.0013938200000000 ] - [ 0.0047900200000000, 0.0428128400000000, 0.0783224800000000 ] - [ 0.0009462900000000, -0.0000835300000000, -0.0000096900000000 ] - [ 0.0004320600000000, 0.0006326900000000, -0.0021499100000000 ] - [ -0.0010721400000000, 0.0001090800000000, 0.0004756600000000 ] - [ -0.0079743900000000, 0.0023480900000000, 0.0002710000000000 ] - [ 0.0049053600000000, -0.0006648900000000, -0.0017183500000000 ] - [ 0.0030249300000000, 0.0005706500000000, -0.0003268500000000 ] - [ -0.0083657200000000, -0.0045111000000000, 0.0009390700000000 ] - [ 0.0063548600000000, -0.0008548000000000, -0.0028372400000000 ] - [ -0.0023635100000000, 0.0002997100000000, -0.0005887200000000 ] - [ -0.0009189700000000, -0.0063344900000000, 0.0045433300000000 ] - [ 0.0030690400000000, 0.0024921800000000, 0.0000497100000000 ] - [ 0.0017068000000000, -0.0028813300000000, -0.0033631900000000 ] - [ 0.0005884100000000, -0.0005676300000000, -0.0009747200000000 ] - [ 0.0046533800000000, 0.0031217100000000, -0.0004801000000000 ] - [ -0.0019153800000000, -0.0024039900000000, 0.0021432000000000 ] - [ 0.0032240200000000, -0.0015032000000000, -0.0029621600000000 ] - [ -0.0011715600000000, 0.0003630200000000, -0.0006518100000000 ] - [ -0.0307181100000000, -0.0054446200000000, 0.0434128400000000 ] - [ 0.0006524800000000, -0.0008786300000000, -0.0001315400000000 ] - [ 0.0005599300000000, -0.0005689100000000, -0.0026608400000000 ] - [ -0.0044675700000000, -0.0005996300000000, -0.0012264900000000 ] - [ -0.0059630700000000, -0.0022604900000000, 0.0022323800000000 ] - [ 0.0030779900000000, 0.0010652300000000, -0.0001751000000000 ] - [ 0.0023183500000000, -0.0015695200000000, -0.0009586700000000 ] - [ -0.0042540100000000, 0.0023371100000000, 0.0018625900000000 ] - [ 0.0014574600000000, 0.0008888800000000, -0.0018413400000000 ] - [ -0.0016870900000000, -0.0006720500000000, 0.0002314700000000 ] - [ 0.0024766500000000, -0.0003992600000000, -0.0060223100000000 ] - [ -0.0010476100000000, 0.0002907000000000, -0.0000695900000000 ] - [ 0.0019833800000000, 0.0004922100000000, -0.0011107600000000 ] - [ -0.0099370700000000, -0.0035565600000000, 0.0181496800000000 ] - [ -0.0004692800000000, -0.0009631600000000, 0.0013616300000000 ] - [ 0.0022345900000000, -0.0007846100000000, -0.0033713400000000 ] - [ -0.0742923100000000, -0.0485425300000000, 0.2173731900000000 ] - [ 0.0011828200000000, -0.0000446600000000, -0.0021108200000000 ] - [ 0.0032010200000000, 0.0011442300000000, -0.0040061900000000 ] - [ -0.0011960500000000, 0.0004255100000000, 0.0005365800000000 ] - [ 0.0009458100000000, 0.0008352900000000, 0.0011859400000000 ] - [ -0.0019369300000000, -0.0086836800000000, 0.0015552000000000 ] - [ -0.0005276400000000, 0.0003080200000000, -0.0003127000000000 ] - [ 0.0005736800000000, 0.0027466200000000, -0.0026961300000000 ] - [ -0.0028035300000000, -0.0130349400000000, -0.0082289200000000 ] - [ 0.0011032000000000, 0.0010892700000000, -0.0006063700000000 ] - [ 0.0009098200000000, 0.0010849000000000, -0.0022776700000000 ] - [ -0.0014947600000000, -0.0007865400000000, -0.0012994900000000 ] - [ 0.0055857800000000, -0.0005024700000000, 0.0038120200000000 ] - [ 0.0094749600000000, -0.0067399000000000, 0.0069691400000000 ] - [ -0.0007200200000000, -0.0046679300000000, 0.0050062800000000 ] - [ 0.0012036800000000, 0.0000455700000000, 0.0007680500000000 ] - [ 0.0182833500000000, -0.0089527200000000, 0.0019994800000000 ] - [ 0.0025732300000000, 0.0000180600000000, 0.0020969000000000 ] - [ -0.0023249800000000, -0.0011944700000000, 0.0007496600000000 ] - [ 0.0027085300000000, 0.0008229400000000, -0.0005395900000000 ] - [ -0.1733935300000000, 0.0130162100000000, 0.0570638800000000 ] - [ 0.0033053900000000, -0.0007267700000000, 0.0001456900000000 ] - [ 0.0028231900000000, -0.0001645600000000, -0.0019807400000000 ] - [ -0.0015014900000000, -0.0006273800000000, -0.0005337700000000 ] - [ 0.0022414600000000, -0.0010163800000000, 0.0000393400000000 ] - [ -0.0161160900000000, 0.0098243700000000, -0.0067403900000000 ] - [ -0.0006464400000000, 0.0020913400000000, 0.0006152000000000 ] - [ 0.0005845700000000, 0.0002614000000000, 0.0010173700000000 ] - [ -0.0018188000000000, -0.0007416500000000, 0.0027741500000000 ] - [ 0.0054163400000000, 0.0008674300000000, -0.0058690800000000 ] - [ 0.0005362900000000, -0.0004772600000000, -0.0014050000000000 ] - [ -0.0005391300000000, -0.0027964000000000, -0.0033769200000000 ] - [ 0.0054622400000000, 0.0048139200000000, -0.0152722600000000 ] - [ 0.0001588400000000, 0.0000388200000000, -0.0007653600000000 ] - [ 0.0004670000000000, -0.0009973900000000, -0.0012722100000000 ] - [ -0.0007515100000000, -0.0004534800000000, -0.0004090800000000 ] - [ 0.0051406000000000, 0.0008127900000000, 0.0036817700000000 ] - [ 0.0100820200000000, 0.0052330200000000, 0.0056741900000000 ] - [ -0.0010400300000000, 0.0028613600000000, -0.0022676300000000 ] - [ -0.0009813700000000, 0.0011807500000000, -0.0020749100000000 ] - [ 0.0101861500000000, 0.0141547600000000, 0.0018528400000000 ] - [ 0.0016609000000000, 0.0007887200000000, 0.0014761200000000 ] - [ 0.0006066000000000, -0.0006761600000000, -0.0047915100000000 ] - [ -0.0018185400000000, -0.0004176200000000, -0.0005276300000000 ] - [ 0.0015793600000000, -0.0004737600000000, 0.0011160700000000 ] - [ -0.0008145100000000, -0.0012452400000000, 0.0043598300000000 ] - [ -0.0025141900000000, -0.0007016700000000, -0.0043038300000000 ] - [ -0.0003927400000000, 0.0002635700000000, -0.0066038400000000 ] - [ -0.0004230200000000, -0.0007614200000000, -0.0013915600000000 ] - [ -0.0008308300000000, -0.0004265500000000, -0.0010148300000000 ] - [ -0.0164765200000000, 0.0128107900000000, -0.0090755200000000 ] - [ -0.0064228100000000, -0.0060499300000000, -0.0073721900000000 ] - [ -0.0024351600000000, 0.0021550600000000, 0.0057469900000000 ] - [ 0.0015091200000000, 0.0011746300000000, 0.0020218200000000 ] - [ -0.0033165500000000, -0.0040760600000000, 0.0083125600000000 ] - [ 0.0011625600000000, -0.0010724400000000, 0.0027086800000000 ] - [ 0.3200000200000000, -0.0116927200000000, -0.4592444200000000 ] - [ -0.0031852400000000, 0.0006690100000000, 0.0007232500000000 ] - [ 0.0019045300000000, 0.0058385500000000, -0.0022005900000000 ] - [ -0.0039412500000000, 0.0000340500000000, 0.0040407600000000 ] - [ -0.0034097800000000, 0.0011062200000000, 0.0029211100000000 ] - [ 0.0232862600000000, -0.0027667500000000, -0.0081742200000000 ] - [ -0.0037109200000000, -0.0004682800000000, 0.0057008300000000 ] - [ 0.0025760400000000, 0.0001969800000000, -0.0004872500000000 ] - [ -0.0032818400000000, 0.0001293000000000, 0.0001035200000000 ] - [ 0.0094906400000000, 0.0155695000000000, 0.0003052400000000 ] - [ -0.0063551000000000, -0.0064629800000000, 0.0116825600000000 ] - [ 0.0027345800000000, 0.0006978300000000, 0.0037007100000000 ] - [ 0.0077237800000000, 0.0046551100000000, -0.0066847000000000 ] - [ -0.0033900100000000, -0.0007257200000000, -0.0008607100000000 ] - [ 0.0072823500000000, 0.0003802000000000, -0.0027170600000000 ] - [ -0.0077474500000000, -0.0018460500000000, 0.0081566900000000 ] - [ -0.0116074500000000, -0.0096600400000000, -0.0083532700000000 ] - [ -0.0028788900000000, 0.0050801900000000, -0.0046926300000000 ] - [ -0.0044969600000000, -0.0033326200000000, 0.0058319500000000 ] - [ 0.0023589600000000, 0.0004867800000000, -0.0001078600000000 ] - [ 0.0091843400000000, 0.0066956000000000, -0.0165869300000000 ] - [ -0.0048907800000000, -0.0007136000000000, 0.0008136600000000 ] - [ 0.0178459400000000, 0.0090594800000000, 0.0237218200000000 ] - [ -0.0034762800000000, 0.0009087200000000, 0.0053935200000000 ] - [ -0.0075289400000000, 0.0015033300000000, 0.0035985500000000 ] - [ 0.0088284000000000, 0.0011614700000000, -0.0053504500000000 ] - [ -0.0070540600000000, 0.0018576800000000, 0.0077280600000000 ] - [ 0.0045222500000000, 0.0002823000000000, 0.0019301900000000 ] - [ -0.0409636600000000, -0.0197923600000000, 0.0851615000000000 ] - [ -0.0039487500000000, -0.0004813100000000, 0.0004048200000000 ] - [ 0.0021991400000000, -0.0007235200000000, 0.0015607500000000 ] - [ -0.0011557100000000, -0.0011011200000000, 0.0066438500000000 ] - [ -0.0069538200000000, -0.0010303200000000, -0.0049403600000000 ] - [ -0.0348404700000000, 0.0301931400000000, -0.0246028200000000 ]- atom: 111 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0004848900000000, 0.0001449100000000, -0.0006095800000000 ] - [ 0.0007894900000000, -0.0011358900000000, -0.0031072200000000 ] - [ -0.0002874800000000, 0.0020227200000000, -0.0016777100000000 ] - [ 0.0006869100000000, -0.0000454500000000, -0.0001098500000000 ] - [ 0.0013482600000000, -0.0014383200000000, -0.0012408500000000 ] - [ -0.0004500300000000, 0.0000056800000000, 0.0004566800000000 ] - [ 0.0007220700000000, -0.0002875500000000, 0.0010252900000000 ] - [ 0.0083505100000000, 0.0084404400000000, -0.0002244400000000 ] - [ 0.0040705100000000, 0.0060647500000000, -0.0005233100000000 ] - [ -0.0008463000000000, -0.0004264200000000, 0.0010060100000000 ] - [ 0.0028138800000000, -0.0046623900000000, -0.0062709000000000 ] - [ -0.0013165900000000, 0.0025489600000000, -0.0004339300000000 ] - [ -0.0012668000000000, -0.0020725300000000, 0.0065690200000000 ] - [ -0.0012212600000000, -0.0003784700000000, 0.0020116600000000 ] - [ -0.0059249000000000, 0.0048985400000000, 0.0022583500000000 ] - [ 0.0009766200000000, -0.0037025100000000, -0.0025044500000000 ] - [ -0.0016511400000000, -0.0018670500000000, 0.0020134800000000 ] - [ 0.0014265400000000, -0.0000483400000000, -0.0003190200000000 ] - [ -0.0004882100000000, 0.0019794900000000, -0.0044602800000000 ] - [ -0.0007995500000000, -0.0001960800000000, 0.0003943700000000 ] - [ -0.0043017300000000, -0.0428695100000000, -0.0782316300000000 ] - [ -0.0008193000000000, 0.0000773200000000, 0.0010171000000000 ] - [ -0.0003058100000000, -0.0006245300000000, 0.0031506100000000 ] - [ 0.0011979500000000, -0.0001013400000000, 0.0005265800000000 ] - [ 0.0069860200000000, -0.0017119800000000, 0.0001228100000000 ] - [ -0.0058948300000000, 0.0012983600000000, 0.0021054600000000 ] - [ -0.0040369700000000, -0.0012124500000000, 0.0007150000000000 ] - [ 0.0073636800000000, 0.0038746800000000, -0.0005460400000000 ] - [ -0.0053282200000000, 0.0002137800000000, 0.0024425300000000 ] - [ 0.0033723200000000, -0.0009399000000000, 0.0002004900000000 ] - [ 0.0009486600000000, 0.0065574800000000, -0.0044384400000000 ] - [ -0.0030469400000000, -0.0023118000000000, 0.0000698300000000 ] - [ -0.0017630800000000, 0.0030712100000000, 0.0032464000000000 ] - [ -0.0006170100000000, 0.0007552200000000, 0.0008575700000000 ] - [ -0.0046791900000000, -0.0033083800000000, 0.0003621800000000 ] - [ 0.0018888100000000, 0.0022238200000000, -0.0022662500000000 ] - [ -0.0031873400000000, 0.0013095500000000, 0.0030668300000000 ] - [ 0.0012040200000000, -0.0005531200000000, 0.0007669300000000 ] - [ 0.0291880700000000, 0.0075455800000000, -0.0435717700000000 ] - [ -0.0018576500000000, 0.0009257000000000, 0.0004835800000000 ] - [ -0.0006892200000000, 0.0005725000000000, 0.0016495400000000 ] - [ 0.0043387400000000, 0.0006039800000000, 0.0002186000000000 ] - [ 0.0069620000000000, 0.0028922700000000, -0.0026185300000000 ] - [ -0.0020736400000000, -0.0004249900000000, -0.0002140600000000 ] - [ -0.0011165300000000, 0.0015254000000000, 0.0006066600000000 ] - [ 0.0054559000000000, -0.0023781100000000, -0.0022140200000000 ] - [ -0.0026580400000000, -0.0009336700000000, 0.0021896100000000 ] - [ 0.0004829000000000, 0.0006258300000000, 0.0001189700000000 ] - [ -0.0028703900000000, 0.0008201800000000, 0.0045734900000000 ] - [ 0.0006469000000000, 0.0001299300000000, -0.0013675200000000 ] - [ -0.0015843100000000, -0.0000716200000000, 0.0025466000000000 ] - [ 0.0103675400000000, 0.0039696500000000, -0.0167235400000000 ] - [ 0.0008648700000000, 0.0005473700000000, 0.0000876600000000 ] - [ -0.0018313000000000, 0.0003641100000000, 0.0048073900000000 ] - [ 0.0785130200000000, 0.0531679300000000, -0.2366007000000000 ] - [ -0.0015861900000000, -0.0003769400000000, 0.0006766600000000 ] - [ -0.0029702600000000, -0.0018757300000000, 0.0033131600000000 ] - [ 0.0014018600000000, -0.0011630700000000, -0.0012149600000000 ] - [ -0.0011491100000000, -0.0015713800000000, -0.0005107800000000 ] - [ 0.0017491300000000, 0.0079851900000000, -0.0008589600000000 ] - [ 0.0003230600000000, 0.0004312500000000, 0.0009886800000000 ] - [ -0.0007750700000000, -0.0020012900000000, 0.0033708600000000 ] - [ 0.0029845300000000, 0.0137354900000000, 0.0075759600000000 ] - [ -0.0009036600000000, -0.0003576900000000, -0.0000730900000000 ] - [ -0.0017527800000000, -0.0018378000000000, 0.0013996000000000 ] - [ 0.0006488600000000, 0.0000247200000000, 0.0004379900000000 ] - [ -0.0047407900000000, -0.0002680000000000, -0.0029480500000000 ] - [ -0.0086882300000000, 0.0060065000000000, -0.0061429900000000 ] - [ 0.0008750500000000, 0.0049762700000000, -0.0042504100000000 ] - [ -0.0010556000000000, 0.0002432200000000, -0.0000014100000000 ] - [ -0.0191077700000000, 0.0096802500000000, -0.0027864700000000 ] - [ -0.0034301300000000, 0.0007449300000000, -0.0029673900000000 ] - [ 0.0016683400000000, 0.0015004700000000, -0.0001902800000000 ] - [ -0.0033612400000000, -0.0005144500000000, 0.0010995400000000 ] - [ 0.1664638100000000, -0.0112721000000000, -0.0583857100000000 ] - [ -0.0026449800000000, 0.0010303600000000, -0.0007038200000000 ] - [ -0.0021536500000000, -0.0001363800000000, 0.0014221100000000 ] - [ 0.0021603000000000, 0.0003238600000000, -0.0000250400000000 ] - [ -0.0029114200000000, 0.0007156700000000, 0.0005164600000000 ] - [ 0.0154273200000000, -0.0101115400000000, 0.0073057600000000 ] - [ 0.0012796000000000, -0.0018908500000000, -0.0004089300000000 ] - [ 0.0000535400000000, -0.0000901100000000, -0.0008337700000000 ] - [ 0.0011840300000000, 0.0009150000000000, -0.0029665700000000 ] - [ -0.0060319700000000, -0.0007180400000000, 0.0057153600000000 ] - [ -0.0011758800000000, 0.0003056400000000, 0.0012159700000000 ] - [ -0.0000989900000000, 0.0026233700000000, 0.0031948600000000 ] - [ -0.0048023800000000, -0.0049636200000000, 0.0153881400000000 ] - [ 0.0004785400000000, -0.0002102600000000, 0.0009495700000000 ] - [ -0.0006600900000000, -0.0004226400000000, 0.0012474400000000 ] - [ 0.0005623200000000, -0.0009729100000000, 0.0003852100000000 ] - [ -0.0049576600000000, -0.0022437100000000, -0.0036580500000000 ] - [ -0.0099176900000000, -0.0067036900000000, -0.0056562400000000 ] - [ 0.0012189800000000, -0.0014225200000000, 0.0022784500000000 ] - [ 0.0011727400000000, 0.0002442800000000, 0.0020992200000000 ] - [ -0.0103697700000000, -0.0127067900000000, -0.0018437300000000 ] - [ -0.0018632900000000, 0.0006351100000000, -0.0015106500000000 ] - [ -0.0004498600000000, 0.0003819100000000, 0.0055518700000000 ] - [ 0.0019742400000000, 0.0001303000000000, 0.0013005900000000 ] - [ -0.0017321900000000, 0.0001864300000000, -0.0018886600000000 ] - [ 0.0006636500000000, 0.0009598500000000, -0.0051271400000000 ] - [ 0.0023662300000000, 0.0009882100000000, 0.0035449100000000 ] - [ 0.0002426200000000, 0.0000280900000000, 0.0058147000000000 ] - [ 0.0012641500000000, 0.0015220300000000, 0.0022493300000000 ] - [ 0.0016802400000000, 0.0011902500000000, 0.0018773900000000 ] - [ 0.0158083900000000, -0.0123412700000000, 0.0087115000000000 ] - [ 0.0057095600000000, 0.0065367000000000, 0.0070392300000000 ] - [ 0.0031685900000000, -0.0016793100000000, -0.0053963700000000 ] - [ -0.0007856400000000, -0.0007036100000000, -0.0016768900000000 ] - [ 0.0025964900000000, 0.0035900000000000, -0.0086066200000000 ] - [ -0.0018914100000000, 0.0006013100000000, -0.0030516200000000 ] - [ -0.3168951200000000, 0.0032539300000000, 0.4791026600000000 ] - [ 0.0034117400000000, -0.0005272900000000, -0.0013946900000000 ] - [ -0.0021328900000000, -0.0057091200000000, 0.0028532300000000 ] - [ 0.0037065600000000, 0.0001078200000000, -0.0033761200000000 ] - [ 0.0031944400000000, -0.0012480000000000, -0.0022499000000000 ] - [ -0.0235072100000000, 0.0026292000000000, 0.0088261300000000 ] - [ 0.0039251400000000, 0.0003251800000000, -0.0063562700000000 ] - [ -0.0023488200000000, -0.0003394900000000, -0.0001790800000000 ] - [ 0.0039907600000000, 0.0000598200000000, -0.0014343800000000 ] - [ -0.0087964600000000, -0.0153953900000000, -0.0016792600000000 ] - [ 0.0056287800000000, 0.0066227000000000, -0.0103238900000000 ] - [ -0.0034332200000000, -0.0005133100000000, -0.0023667900000000 ] - [ -0.0084122700000000, -0.0048745600000000, 0.0080031300000000 ] - [ 0.0026911000000000, 0.0005387800000000, 0.0021999200000000 ] - [ -0.0065989700000000, -0.0005686200000000, 0.0013854400000000 ] - [ 0.0084083300000000, 0.0016837500000000, -0.0094798400000000 ] - [ 0.0123300600000000, 0.0092001600000000, 0.0086923800000000 ] - [ 0.0036218800000000, -0.0055789900000000, 0.0050548700000000 ] - [ 0.0047126300000000, 0.0042079400000000, -0.0048149700000000 ] - [ -0.0021257100000000, 0.0004283000000000, 0.0011193600000000 ] - [ -0.0097281200000000, -0.0074692200000000, 0.0161083400000000 ] - [ 0.0044069700000000, -0.0000530400000000, -0.0013677200000000 ] - [ -0.0172572100000000, -0.0097818200000000, -0.0232345100000000 ] - [ 0.0039579700000000, -0.0016679500000000, -0.0048401900000000 ] - [ 0.0080281100000000, -0.0007452800000000, -0.0030499400000000 ] - [ -0.0083508000000000, -0.0003998400000000, 0.0059040600000000 ] - [ 0.0065493900000000, -0.0010822700000000, -0.0082543800000000 ] - [ -0.0050166000000000, 0.0004824100000000, -0.0024782900000000 ] - [ 0.0413129800000000, 0.0190155000000000, -0.0846295400000000 ] - [ 0.0042001900000000, -0.0004299600000000, 0.0006132800000000 ] - [ -0.0024199000000000, -0.0002020300000000, -0.0025701000000000 ] - [ 0.0009135700000000, 0.0001804200000000, -0.0076544000000000 ] - [ 0.0067244900000000, 0.0019498000000000, 0.0039390200000000 ] - [ 0.0345822600000000, -0.0292554500000000, 0.0235532800000000 ]- atom: 119 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0018101500000000, 0.0035822700000000, -0.0072128100000000 ] - [ 0.0010336900000000, -0.0002959500000000, 0.0003304300000000 ] - [ 0.0014491700000000, 0.0000101300000000, 0.0003813900000000 ] - [ -0.0027974600000000, -0.0061522300000000, -0.0002746800000000 ] - [ 0.0002212100000000, -0.0000063400000000, 0.0006115100000000 ] - [ 0.0004439400000000, -0.0001701700000000, -0.0011679100000000 ] - [ -0.0008982100000000, -0.0007217800000000, -0.0026551600000000 ] - [ 0.0007254000000000, -0.0001704800000000, 0.0008637800000000 ] - [ 0.0003828100000000, 0.0003406900000000, 0.0012890600000000 ] - [ 0.0004436700000000, 0.0007827400000000, -0.0013935400000000 ] - [ -0.0032447800000000, 0.0021092800000000, 0.0025376500000000 ] - [ -0.0019557600000000, 0.0029327300000000, -0.0023841200000000 ] - [ 0.0009223300000000, 0.0000987100000000, 0.0009332700000000 ] - [ -0.0008022500000000, 0.0007488600000000, 0.0001891700000000 ] - [ -0.0133946700000000, 0.0092543400000000, 0.0094440100000000 ] - [ -0.0047342200000000, 0.0013192900000000, 0.0010081100000000 ] - [ 0.0035046600000000, 0.0022443100000000, -0.0029001700000000 ] - [ -0.0006440200000000, -0.0016664500000000, 0.0002561000000000 ] - [ 0.0004898600000000, -0.0010647900000000, 0.0030395800000000 ] - [ -0.0018792600000000, 0.0023895100000000, -0.0070444600000000 ] - [ -0.0000789600000000, 0.0005458200000000, 0.0020280100000000 ] - [ 0.0004702200000000, -0.0012933900000000, -0.0021047800000000 ] - [ -0.0120381500000000, 0.0043981900000000, -0.0150356600000000 ] - [ -0.0020413300000000, 0.0001954200000000, 0.0006594500000000 ] - [ -0.0014890900000000, 0.0005365500000000, 0.0013364700000000 ] - [ -0.0011202000000000, 0.0004163700000000, -0.0007928900000000 ] - [ 0.3156210300000000, -0.0327127900000000, 0.0069000600000000 ] - [ -0.0050075500000000, -0.0014250200000000, 0.0003630400000000 ] - [ -0.0007777200000000, -0.0002074700000000, -0.0011675600000000 ] - [ -0.0025615400000000, 0.0004481400000000, 0.0012677500000000 ] - [ -0.0051845300000000, -0.0011154400000000, 0.0040458300000000 ] - [ -0.0032309000000000, -0.0008244400000000, -0.0022857800000000 ] - [ 0.0009761400000000, 0.0006978500000000, 0.0002156500000000 ] - [ -0.0000343900000000, -0.0001615100000000, -0.0002337100000000 ] - [ -0.0124075000000000, -0.0108870400000000, 0.0063193400000000 ] - [ -0.0035568500000000, -0.0004057200000000, 0.0000621200000000 ] - [ 0.0039687900000000, -0.0011320400000000, -0.0028528400000000 ] - [ -0.0015743600000000, 0.0008311000000000, 0.0006982800000000 ] - [ -0.0021388800000000, 0.0013019600000000, 0.0008497200000000 ] - [ 0.0032347100000000, -0.0049787000000000, -0.0035656300000000 ] - [ 0.0015434200000000, -0.0018197000000000, -0.0031501900000000 ] - [ -0.0014379800000000, -0.0002122000000000, -0.0007538700000000 ] - [ -0.0025065900000000, -0.0005719600000000, -0.0001420900000000 ] - [ 0.0137332200000000, 0.0042486500000000, -0.0019083700000000 ] - [ 0.0078536100000000, -0.0198209800000000, -0.0014275100000000 ] - [ -0.0014782500000000, 0.0016111000000000, 0.0000849600000000 ] - [ -0.0012513300000000, 0.0041569100000000, -0.0031699900000000 ] - [ -0.0030385700000000, -0.0019125900000000, 0.0013427500000000 ] - [ 0.0010668900000000, -0.0001358100000000, -0.0088317200000000 ] - [ -0.0033247000000000, 0.0009055100000000, 0.0040829100000000 ] - [ 0.0021481700000000, -0.0019952900000000, 0.0032139100000000 ] - [ -0.0013509400000000, 0.0001314700000000, 0.0015237300000000 ] - [ -0.0022547200000000, 0.0011456500000000, 0.0082823700000000 ] - [ 0.0004073400000000, -0.0005582700000000, -0.0027599000000000 ] - [ -0.0020946000000000, -0.0004378000000000, 0.0014775800000000 ] - [ 0.0050256100000000, -0.0011388300000000, -0.0076038500000000 ] - [ -0.0001162700000000, 0.0000408700000000, -0.0018004900000000 ] - [ -0.0000973800000000, -0.0006083100000000, 0.0012103600000000 ] - [ 0.0019104500000000, -0.0020955700000000, 0.0043297500000000 ] - [ -0.0011939000000000, -0.0014914700000000, -0.0004250100000000 ] - [ -0.0013572000000000, 0.0022723500000000, 0.0026560200000000 ] - [ -0.0010858700000000, 0.0006587200000000, -0.0006104500000000 ] - [ -0.0017683000000000, -0.0009982000000000, -0.0005450100000000 ] - [ 0.0806257000000000, 0.0682653000000000, -0.0303204600000000 ] - [ 0.0017121800000000, -0.0003911000000000, -0.0003249600000000 ] - [ -0.0007360300000000, -0.0001840700000000, -0.0002328100000000 ] - [ 0.0009562900000000, -0.0024884800000000, 0.0031744100000000 ] - [ -0.0031951100000000, 0.0015682000000000, -0.0016657800000000 ] - [ -0.0017675800000000, 0.0002875700000000, -0.0003933100000000 ] - [ 0.0870243800000000, -0.0257390000000000, 0.0910959800000000 ] - [ -0.0055008900000000, 0.0039538900000000, -0.0011923100000000 ] - [ -0.0049184900000000, -0.0000956400000000, -0.0035084200000000 ] - [ -0.0014642800000000, 0.0001710400000000, 0.0018023600000000 ] - [ -0.0017092500000000, -0.0003330800000000, -0.0011517500000000 ] - [ -0.0023800900000000, 0.0011603600000000, -0.0004601900000000 ] - [ 0.0065716100000000, -0.0016732000000000, 0.0005275000000000 ] - [ -0.0060015300000000, -0.0005496900000000, -0.0030416700000000 ] - [ -0.0050888700000000, -0.0002666000000000, 0.0034219700000000 ] - [ 0.0127027300000000, -0.0072613300000000, 0.0007200900000000 ] - [ -0.0042844700000000, 0.0011418300000000, -0.0000479300000000 ] - [ -0.0000373900000000, -0.0002735300000000, -0.0015220800000000 ] - [ 0.0016238500000000, 0.0011402500000000, 0.0061722000000000 ] - [ -0.0009996700000000, -0.0009404400000000, 0.0032711100000000 ] - [ -0.0002782900000000, 0.0006993800000000, -0.0023500600000000 ] - [ 0.0718255300000000, -0.0500196600000000, -0.0417934300000000 ] - [ -0.0018747600000000, 0.0000977000000000, -0.0000087100000000 ] - [ -0.0005025300000000, 0.0002165000000000, -0.0007727800000000 ] - [ -0.0015212100000000, -0.0032673900000000, 0.0037708400000000 ] - [ 0.0012007400000000, -0.0009179000000000, -0.0000731400000000 ] - [ -0.0002165700000000, -0.0008878800000000, 0.0006187400000000 ] - [ 0.0004535900000000, 0.0028549300000000, 0.0036173300000000 ] - [ -0.0035131800000000, -0.0028832200000000, -0.0023061800000000 ] - [ 0.0057436800000000, -0.0029327800000000, 0.0042750900000000 ] - [ -0.0015806900000000, 0.0017810200000000, -0.0009284100000000 ] - [ -0.0040585700000000, -0.0020341800000000, -0.0003795700000000 ] - [ -0.0019552000000000, -0.0014354400000000, -0.0013906400000000 ] - [ -0.0007544900000000, -0.0002361200000000, -0.0030970100000000 ] - [ 0.0002512700000000, 0.0000209000000000, 0.0029746300000000 ] - [ 0.0043480900000000, -0.0079039200000000, 0.0222151000000000 ] - [ -0.0020175600000000, 0.0002057600000000, -0.0026941900000000 ] - [ 0.0007473700000000, 0.0008299800000000, 0.0039507400000000 ] - [ -0.0012805200000000, -0.0001988900000000, -0.0030996900000000 ] - [ 0.0068314600000000, 0.0038814500000000, 0.0042828100000000 ] - [ -0.0012125900000000, -0.0005920000000000, -0.0004201100000000 ] - [ 0.0101381000000000, -0.0096235700000000, -0.0107302300000000 ] - [ 0.0092122500000000, 0.0007202200000000, 0.0043949000000000 ] - [ -0.0053146300000000, -0.0038041700000000, -0.0001292600000000 ] - [ 0.0014682300000000, 0.0017558200000000, -0.0001431000000000 ] - [ -0.0091557000000000, 0.0031895500000000, 0.0002170500000000 ] - [ 0.0014900700000000, -0.0016005500000000, 0.0002616100000000 ] - [ 0.0031372500000000, -0.0012168100000000, -0.0026559800000000 ] - [ -0.0087918200000000, 0.0041368300000000, 0.0045890200000000 ] - [ 0.0011100300000000, 0.0001245700000000, -0.0061079500000000 ] - [ 0.0024548200000000, -0.0017559300000000, 0.0059006800000000 ] - [ -0.0164248200000000, 0.0144066200000000, -0.0012577100000000 ] - [ 0.0046134800000000, -0.0010483300000000, -0.0000746400000000 ] - [ 0.0103401800000000, -0.0083253500000000, 0.0153081700000000 ] - [ 0.0084024300000000, 0.0010155300000000, -0.0044027300000000 ] - [ -0.6183774000000000, 0.0031594600000000, -0.0243054200000000 ] - [ 0.0058361200000000, 0.0005586800000000, -0.0003596400000000 ] - [ 0.0022564500000000, 0.0001361500000000, 0.0034552300000000 ] - [ 0.0022153600000000, -0.0001165700000000, -0.0057215200000000 ] - [ 0.0031044200000000, 0.0006853100000000, 0.0028104500000000 ] - [ -0.0176428800000000, 0.0031466400000000, -0.0181479600000000 ] - [ 0.0013675800000000, 0.0007884700000000, -0.0048092000000000 ] - [ 0.0014156000000000, -0.0006423000000000, 0.0033459300000000 ] - [ 0.0093628500000000, 0.0048937700000000, -0.0072556800000000 ] - [ 0.0065215200000000, -0.0035274700000000, 0.0023373500000000 ] - [ -0.0017982900000000, 0.0017623300000000, 0.0066232300000000 ] - [ 0.0021878800000000, 0.0000707700000000, -0.0055024200000000 ] - [ 0.0064908800000000, 0.0001455900000000, -0.0043741200000000 ] - [ 0.0015965400000000, -0.0068852900000000, 0.0331821300000000 ] - [ -0.0004421800000000, -0.0013751300000000, -0.0038639800000000 ] - [ 0.0008730100000000, -0.0003077100000000, 0.0041781600000000 ] - [ 0.0729644900000000, 0.0507016700000000, -0.0140481500000000 ] - [ 0.0093664100000000, -0.0007125100000000, 0.0001766500000000 ] - [ -0.0025022600000000, -0.0035679900000000, 0.0080978100000000 ] - [ 0.0041729900000000, 0.0009022600000000, -0.0031944200000000 ] - [ 0.0075853900000000, -0.0004165200000000, 0.0017783500000000 ] - [ -0.0003561300000000, 0.0285189500000000, 0.0093600500000000 ] - [ -0.0000495700000000, -0.0053380700000000, -0.0278186200000000 ] - [ 0.0045378600000000, 0.0010403600000000, 0.0032357600000000 ] - [ -0.0037936800000000, 0.0012778500000000, -0.0073756300000000 ] - [ 0.0052212100000000, 0.0011896100000000, 0.0026764900000000 ]- atom: 119 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0020470500000000, -0.0035285100000000, 0.0071420100000000 ] - [ -0.0012527600000000, 0.0003190200000000, -0.0003463000000000 ] - [ -0.0012255400000000, 0.0000124100000000, -0.0003637000000000 ] - [ 0.0029883100000000, 0.0061504800000000, 0.0002963000000000 ] - [ -0.0000026100000000, -0.0000156800000000, -0.0005941900000000 ] - [ -0.0002254900000000, 0.0001472000000000, 0.0011836900000000 ] - [ 0.0006777200000000, 0.0007003200000000, 0.0026410600000000 ] - [ -0.0009430600000000, 0.0001475100000000, -0.0008773200000000 ] - [ 0.0008214300000000, -0.0002981700000000, -0.0016410400000000 ] - [ 0.0007613000000000, -0.0007416300000000, 0.0010438700000000 ] - [ 0.0044350900000000, -0.0011398100000000, -0.0038683700000000 ] - [ 0.0031801000000000, -0.0019732700000000, 0.0010200400000000 ] - [ -0.0021287900000000, 0.0008668100000000, 0.0004107100000000 ] - [ -0.0004031600000000, 0.0002139000000000, 0.0011558000000000 ] - [ 0.0121638500000000, -0.0101650500000000, -0.0080713600000000 ] - [ 0.0035131300000000, -0.0022874100000000, 0.0003218700000000 ] - [ -0.0023047900000000, -0.0032135000000000, 0.0015599900000000 ] - [ 0.0018431500000000, 0.0006992500000000, -0.0015960900000000 ] - [ -0.0006153100000000, 0.0010568800000000, -0.0040453100000000 ] - [ 0.0017635500000000, -0.0024096300000000, 0.0060727500000000 ] - [ 0.0002037000000000, -0.0005535100000000, -0.0010217800000000 ] - [ -0.0003422500000000, 0.0012896100000000, 0.0031160400000000 ] - [ 0.0121569900000000, -0.0043661100000000, 0.0159750500000000 ] - [ 0.0021560100000000, -0.0001871000000000, 0.0003473700000000 ] - [ 0.0004843000000000, 0.0001037300000000, -0.0009463200000000 ] - [ 0.0001182800000000, 0.0002242600000000, 0.0011809800000000 ] - [ -0.3418424600000000, 0.0328720900000000, -0.0066207700000000 ] - [ 0.0039859800000000, 0.0007802300000000, 0.0000257000000000 ] - [ 0.0017880100000000, -0.0004364800000000, 0.0007779100000000 ] - [ 0.0035778200000000, -0.0010916500000000, -0.0016578300000000 ] - [ 0.0052081100000000, 0.0013042300000000, -0.0039211800000000 ] - [ 0.0032829400000000, 0.0010253300000000, 0.0023710500000000 ] - [ -0.0010081300000000, -0.0005100200000000, -0.0003311700000000 ] - [ 0.0000003800000000, 0.0003516800000000, 0.0001200500000000 ] - [ 0.0123234300000000, 0.0106454800000000, -0.0064099500000000 ] - [ 0.0035250400000000, 0.0002326000000000, -0.0001885300000000 ] - [ -0.0039422500000000, 0.0009391000000000, 0.0029819400000000 ] - [ 0.0016015900000000, -0.0010194100000000, -0.0005808500000000 ] - [ 0.0009311800000000, -0.0012519800000000, -0.0004977000000000 ] - [ -0.0044462300000000, 0.0050426700000000, 0.0039279200000000 ] - [ -0.0016717300000000, 0.0018164400000000, 0.0021442300000000 ] - [ 0.0013098700000000, 0.0002197200000000, -0.0002514500000000 ] - [ 0.0035043400000000, 0.0012116600000000, -0.0002473000000000 ] - [ -0.0127416100000000, -0.0036136400000000, 0.0015254600000000 ] - [ -0.0066109300000000, 0.0197896200000000, 0.0010615800000000 ] - [ 0.0026755700000000, -0.0016491300000000, -0.0004355800000000 ] - [ 0.0000535900000000, -0.0041928200000000, 0.0035228700000000 ] - [ 0.0018236200000000, 0.0018535700000000, -0.0009857700000000 ] - [ -0.0014647100000000, 0.0005602900000000, 0.0073858800000000 ] - [ 0.0029115000000000, -0.0004814800000000, -0.0055000400000000 ] - [ -0.0017458200000000, 0.0024152100000000, -0.0017846700000000 ] - [ 0.0017495700000000, 0.0002908900000000, -0.0000881900000000 ] - [ 0.0026707200000000, -0.0015734000000000, -0.0068694300000000 ] - [ -0.0000063700000000, 0.0001357100000000, 0.0042032200000000 ] - [ 0.0016899700000000, 0.0000153000000000, -0.0029095400000000 ] - [ -0.0054337100000000, 0.0007182500000000, 0.0061825400000000 ] - [ 0.0003186300000000, -0.0007722400000000, 0.0011213100000000 ] - [ 0.0002995800000000, -0.0001261900000000, -0.0018857600000000 ] - [ -0.0021137000000000, 0.0013635500000000, -0.0036524200000000 ] - [ 0.0009903000000000, 0.0007577000000000, 0.0010999800000000 ] - [ 0.0011714200000000, -0.0015485000000000, -0.0019730100000000 ] - [ 0.0008831700000000, 0.0000736500000000, 0.0012872200000000 ] - [ 0.0019660700000000, 0.0017276100000000, -0.0001339700000000 ] - [ -0.0807621700000000, -0.0659715600000000, 0.0291740400000000 ] - [ -0.0025588900000000, -0.0003673300000000, -0.0005337600000000 ] - [ -0.0001132400000000, -0.0005775800000000, -0.0006272400000000 ] - [ -0.0001029700000000, 0.0017145300000000, -0.0023002600000000 ] - [ 0.0040439100000000, -0.0023273800000000, 0.0025236800000000 ] - [ 0.0019124400000000, 0.0000022400000000, 0.0011573900000000 ] - [ -0.0875879100000000, 0.0255883100000000, -0.0887846400000000 ] - [ 0.0046467900000000, -0.0031841900000000, 0.0003293600000000 ] - [ 0.0040979300000000, 0.0008199500000000, 0.0026437200000000 ] - [ 0.0008064800000000, 0.0001323000000000, -0.0012448100000000 ] - [ 0.0010503200000000, 0.0006343800000000, 0.0017092100000000 ] - [ 0.0030390000000000, -0.0008569800000000, -0.0000977400000000 ] - [ -0.0059137000000000, 0.0019752800000000, -0.0010857700000000 ] - [ 0.0066594500000000, 0.0002510900000000, 0.0024825800000000 ] - [ 0.0057501800000000, -0.0000178300000000, -0.0039333900000000 ] - [ -0.0133744300000000, 0.0069605700000000, -0.0001636000000000 ] - [ 0.0036112000000000, -0.0014404000000000, 0.0006037300000000 ] - [ 0.0006753300000000, 0.0004447000000000, 0.0017024100000000 ] - [ -0.0009891100000000, -0.0009658500000000, -0.0059847300000000 ] - [ 0.0003605700000000, 0.0011102300000000, -0.0034517800000000 ] - [ -0.0003598700000000, -0.0005284600000000, 0.0021626900000000 ] - [ -0.0731704400000000, 0.0493965700000000, 0.0411913000000000 ] - [ 0.0012319200000000, -0.0002677800000000, -0.0001746200000000 ] - [ 0.0011418900000000, -0.0003878100000000, 0.0009549000000000 ] - [ 0.0021794800000000, 0.0030981300000000, -0.0036036000000000 ] - [ -0.0013909500000000, -0.0005094400000000, 0.0000485600000000 ] - [ 0.0000253500000000, -0.0005381800000000, -0.0006420800000000 ] - [ -0.0002563900000000, -0.0042761300000000, -0.0035875400000000 ] - [ 0.0036968500000000, 0.0014481300000000, 0.0023214600000000 ] - [ -0.0055612600000000, 0.0043734800000000, -0.0042587700000000 ] - [ 0.0017667600000000, -0.0003521000000000, 0.0009516500000000 ] - [ 0.0038530500000000, 0.0034473800000000, 0.0003541700000000 ] - [ 0.0017882600000000, 0.0029008900000000, 0.0013688900000000 ] - [ 0.0009063700000000, -0.0000528000000000, 0.0038668300000000 ] - [ -0.0001002400000000, -0.0003102100000000, -0.0022011800000000 ] - [ -0.0044592400000000, 0.0076370100000000, -0.0229813700000000 ] - [ 0.0018604600000000, -0.0004917600000000, 0.0019156500000000 ] - [ -0.0008968400000000, -0.0005413500000000, -0.0047191600000000 ] - [ 0.0011305900000000, 0.0004868200000000, 0.0023309100000000 ] - [ -0.0059951900000000, -0.0031237500000000, -0.0034290400000000 ] - [ 0.0020552600000000, 0.0013520100000000, 0.0012809000000000 ] - [ -0.0108584300000000, 0.0100731300000000, 0.0103642400000000 ] - [ -0.0099195200000000, -0.0002191600000000, -0.0046946500000000 ] - [ 0.0060461200000000, 0.0042835800000000, 0.0004743700000000 ] - [ -0.0007364600000000, -0.0012822200000000, 0.0004840700000000 ] - [ 0.0084505000000000, -0.0036728000000000, -0.0005698400000000 ] - [ -0.0022088600000000, 0.0011274100000000, -0.0006084500000000 ] - [ -0.0029075600000000, 0.0013574000000000, 0.0019860300000000 ] - [ 0.0090217900000000, -0.0040056000000000, -0.0052637100000000 ] - [ -0.0013381900000000, 0.0000192900000000, 0.0067768700000000 ] - [ -0.0026888300000000, 0.0019070600000000, -0.0052409500000000 ] - [ 0.0162289400000000, -0.0145521800000000, 0.0019373100000000 ] - [ -0.0048256800000000, 0.0008992200000000, 0.0007430100000000 ] - [ -0.0101167000000000, 0.0081568500000000, -0.0159637300000000 ] - [ -0.0081356000000000, -0.0011479100000000, 0.0037114600000000 ] - [ 0.6464814600000000, -0.0044829100000000, 0.0224036800000000 ] - [ -0.0051160600000000, -0.0003714800000000, -0.0009744300000000 ] - [ -0.0029612800000000, 0.0000529000000000, -0.0021156900000000 ] - [ -0.0029212100000000, 0.0003025400000000, 0.0070614800000000 ] - [ -0.0037975600000000, -0.0008733600000000, -0.0014645500000000 ] - [ 0.0169599200000000, -0.0033444100000000, 0.0195114100000000 ] - [ -0.0006667200000000, -0.0009735900000000, 0.0034666800000000 ] - [ -0.0007171000000000, 0.0004530200000000, -0.0046811700000000 ] - [ -0.0086135600000000, -0.0053430700000000, 0.0075713700000000 ] - [ -0.0058198800000000, 0.0030260400000000, -0.0019800900000000 ] - [ 0.0020304400000000, -0.0008513800000000, -0.0056088900000000 ] - [ -0.0019455800000000, 0.0008404900000000, 0.0064990200000000 ] - [ -0.0069679900000000, -0.0009144500000000, 0.0038233800000000 ] - [ -0.0021436000000000, 0.0061115800000000, -0.0336532800000000 ] - [ 0.0009349800000000, 0.0006149000000000, 0.0044081800000000 ] - [ -0.0003810900000000, -0.0004542100000000, -0.0036351200000000 ] - [ -0.0727900900000000, -0.0499663000000000, 0.0145955800000000 ] - [ -0.0088347400000000, 0.0014624400000000, 0.0003736700000000 ] - [ 0.0019962500000000, 0.0043455900000000, -0.0086552600000000 ] - [ -0.0046582500000000, -0.0001261700000000, 0.0026392800000000 ] - [ -0.0073345100000000, -0.0004929500000000, -0.0007625500000000 ] - [ 0.0005091900000000, -0.0293820500000000, -0.0083439000000000 ] - [ -0.0002667300000000, 0.0043969700000000, 0.0267687400000000 ] - [ -0.0047671600000000, -0.0019552000000000, -0.0042476200000000 ] - [ 0.0035433000000000, -0.0003608900000000, 0.0063659000000000 ] - [ -0.0054518000000000, -0.0002709100000000, -0.0036802800000000 ]- atom: 119 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0066587600000000, -0.0026643100000000, -0.0141032400000000 ] - [ -0.0001221600000000, -0.0000636600000000, -0.0000216500000000 ] - [ 0.0001491100000000, 0.0000770400000000, 0.0000045100000000 ] - [ -0.0042517600000000, 0.0183614000000000, -0.0003751200000000 ] - [ 0.0003461400000000, 0.0002969700000000, 0.0003653700000000 ] - [ -0.0001817400000000, 0.0003771800000000, 0.0000755700000000 ] - [ -0.0004887700000000, -0.0007407400000000, 0.0003976000000000 ] - [ 0.0001899800000000, -0.0003074200000000, 0.0003964700000000 ] - [ 0.0004801100000000, -0.0018898000000000, -0.0010635700000000 ] - [ 0.0003056900000000, -0.0010649900000000, -0.0000860900000000 ] - [ 0.0008868600000000, 0.0000444600000000, -0.0011110100000000 ] - [ 0.0030640800000000, -0.0037202200000000, -0.0022619300000000 ] - [ -0.0012377600000000, 0.0011283900000000, 0.0006464900000000 ] - [ -0.0002487200000000, 0.0010077200000000, 0.0002457200000000 ] - [ -0.0011506500000000, 0.0001034500000000, 0.0010415400000000 ] - [ -0.0032051000000000, 0.0033691000000000, 0.0009663200000000 ] - [ -0.0016939100000000, -0.0037224000000000, 0.0003158400000000 ] - [ 0.0005267900000000, -0.0007700200000000, -0.0004427600000000 ] - [ -0.0006545400000000, 0.0006318200000000, -0.0033799300000000 ] - [ 0.0013192400000000, -0.0006821800000000, 0.0024868700000000 ] - [ -0.0003171800000000, -0.0003609500000000, -0.0002077400000000 ] - [ -0.0007224700000000, -0.0004011300000000, -0.0046878800000000 ] - [ -0.0000691600000000, 0.0002691900000000, 0.0008346300000000 ] - [ 0.0014534700000000, -0.0000457400000000, 0.0019258100000000 ] - [ 0.0001752700000000, 0.0002213600000000, 0.0001762300000000 ] - [ -0.0009073800000000, 0.0004849300000000, 0.0000319900000000 ] - [ -0.0087033700000000, 0.0505280700000000, 0.0004664600000000 ] - [ -0.0009214400000000, -0.0003235500000000, 0.0002513400000000 ] - [ 0.0006647900000000, -0.0005459100000000, -0.0001207900000000 ] - [ -0.0005161100000000, -0.0028396800000000, 0.0013381400000000 ] - [ 0.0003944700000000, 0.0005420900000000, -0.0002149700000000 ] - [ 0.0047705300000000, 0.0056228100000000, -0.0020313500000000 ] - [ 0.0004254600000000, -0.0022949800000000, -0.0015406600000000 ] - [ 0.0004470500000000, -0.0004373800000000, -0.0002794800000000 ] - [ 0.0007111300000000, 0.0010313800000000, -0.0006221900000000 ] - [ -0.0005053400000000, -0.0018020200000000, 0.0003908300000000 ] - [ -0.0002469700000000, 0.0007626600000000, 0.0026087500000000 ] - [ -0.0000115600000000, 0.0001272800000000, 0.0001786900000000 ] - [ -0.0009072000000000, 0.0003307300000000, -0.0000255800000000 ] - [ -0.0019775400000000, 0.0071590200000000, 0.0002247100000000 ] - [ 0.0023049300000000, -0.0022240000000000, 0.0008264700000000 ] - [ -0.0002473900000000, -0.0000490800000000, -0.0001205700000000 ] - [ -0.0000447400000000, 0.0001770300000000, -0.0004245400000000 ] - [ -0.0014548200000000, -0.0007639300000000, 0.0018307000000000 ] - [ -0.0012973400000000, -0.0054967400000000, 0.0010402600000000 ] - [ 0.0005191100000000, -0.0000319700000000, -0.0000685800000000 ] - [ -0.0002854900000000, 0.0004716500000000, 0.0003678200000000 ] - [ -0.0000095100000000, 0.0020828500000000, 0.0011152300000000 ] - [ -0.0005455700000000, 0.0005977900000000, -0.0002879800000000 ] - [ 0.0013288200000000, 0.0004676000000000, -0.0011321900000000 ] - [ 0.0021257500000000, -0.0017112400000000, 0.0001008000000000 ] - [ -0.0002136400000000, -0.0000224100000000, 0.0010129400000000 ] - [ 0.0060635200000000, -0.0024306400000000, -0.0111257400000000 ] - [ 0.0000662100000000, -0.0004228500000000, 0.0014233200000000 ] - [ -0.0002679700000000, -0.0001179700000000, -0.0010649200000000 ] - [ 0.0036150500000000, -0.0009147900000000, -0.0170721500000000 ] - [ -0.0002121300000000, 0.0003501300000000, -0.0006639200000000 ] - [ 0.0002760200000000, 0.0002251000000000, -0.0005648200000000 ] - [ -0.0007571200000000, -0.0019804800000000, 0.0001567000000000 ] - [ -0.0004867000000000, -0.0010229900000000, -0.0001290000000000 ] - [ 0.0046805700000000, -0.0132774900000000, -0.0003577900000000 ] - [ -0.0000518300000000, 0.0001304800000000, 0.0003652900000000 ] - [ 0.0000509500000000, 0.0004686800000000, -0.0003696700000000 ] - [ 0.0700820900000000, 0.2185147200000000, -0.0695526100000000 ] - [ -0.0010125800000000, 0.0004934900000000, -0.0003476400000000 ] - [ 0.0003418800000000, 0.0001992200000000, -0.0001202500000000 ] - [ 0.0010778600000000, -0.0008268400000000, 0.0003960200000000 ] - [ -0.0003348100000000, -0.0018019200000000, -0.0003767000000000 ] - [ -0.0001563900000000, 0.0002466600000000, -0.0001482800000000 ] - [ -0.0240459700000000, 0.0689977100000000, -0.0596050900000000 ] - [ -0.0003012400000000, 0.0005684500000000, -0.0004710400000000 ] - [ -0.0141546000000000, 0.0045484700000000, -0.0106621300000000 ] - [ 0.0018272900000000, 0.0003488500000000, -0.0007681600000000 ] - [ -0.0004066400000000, -0.0001009600000000, 0.0002921800000000 ] - [ -0.0007162000000000, 0.0003875200000000, -0.0006062100000000 ] - [ 0.0032355400000000, 0.0001617300000000, -0.0023018800000000 ] - [ 0.0002626900000000, -0.0000027000000000, -0.0002041000000000 ] - [ 0.0083324100000000, 0.0082113300000000, 0.0003875200000000 ] - [ 0.0073922400000000, -0.0131795100000000, 0.0013677100000000 ] - [ -0.0006459100000000, -0.0001045800000000, 0.0002938800000000 ] - [ 0.0002278000000000, 0.0000850000000000, -0.0004760800000000 ] - [ 0.0000696800000000, 0.0005159700000000, 0.0004034800000000 ] - [ 0.0002643600000000, 0.0001190200000000, -0.0008731600000000 ] - [ -0.0004493600000000, 0.0000489400000000, -0.0006393900000000 ] - [ -0.0428142000000000, 0.1561055400000000, 0.0832933400000000 ] - [ -0.0004369600000000, -0.0000513300000000, -0.0000147700000000 ] - [ 0.0003191500000000, -0.0000904600000000, 0.0000334000000000 ] - [ -0.0058351500000000, -0.0129219100000000, 0.0119453900000000 ] - [ -0.0020478700000000, -0.0003862800000000, -0.0014236000000000 ] - [ 0.0004767800000000, -0.0012522600000000, 0.0002908900000000 ] - [ 0.0008735100000000, -0.0002437500000000, 0.0000591500000000 ] - [ -0.0023750000000000, -0.0004748700000000, -0.0026024900000000 ] - [ -0.0026906600000000, 0.0110628000000000, -0.0005056500000000 ] - [ 0.0001286700000000, 0.0009147700000000, 0.0000296500000000 ] - [ 0.0000932700000000, 0.0006747900000000, -0.0000968000000000 ] - [ -0.0059558000000000, -0.0145628800000000, -0.0029365600000000 ] - [ -0.0000029300000000, -0.0002740000000000, 0.0004925600000000 ] - [ 0.0002900100000000, 0.0000532200000000, 0.0007689400000000 ] - [ -0.0017077600000000, 0.0002967300000000, -0.0010048400000000 ] - [ -0.0004489400000000, 0.0000459400000000, -0.0008785500000000 ] - [ 0.0004082000000000, -0.0026438400000000, 0.0021950200000000 ] - [ -0.0001908500000000, 0.0000263100000000, -0.0008401500000000 ] - [ -0.0063499500000000, -0.0051397200000000, -0.0060420500000000 ] - [ 0.0005157500000000, 0.0002407400000000, 0.0005016100000000 ] - [ -0.0011366900000000, -0.0008866300000000, -0.0002884300000000 ] - [ 0.0068803600000000, -0.0120797600000000, 0.0109160000000000 ] - [ 0.0064309400000000, 0.0071962200000000, 0.0045425000000000 ] - [ -0.0002721500000000, 0.0010645400000000, -0.0001103600000000 ] - [ 0.0035918900000000, -0.0042743600000000, -0.0022175700000000 ] - [ -0.0009149900000000, -0.0011735500000000, -0.0002349800000000 ] - [ 0.0011617000000000, -0.0000580100000000, 0.0004448000000000 ] - [ -0.0036611000000000, -0.0069019600000000, 0.0159533700000000 ] - [ -0.0019366700000000, 0.0018920900000000, 0.0070617300000000 ] - [ -0.0004898500000000, 0.0019153300000000, -0.0006736800000000 ] - [ -0.0089558600000000, 0.0123161700000000, -0.0000217900000000 ] - [ 0.0004336700000000, 0.0002957000000000, -0.0000563800000000 ] - [ 0.0003005500000000, -0.0011304500000000, -0.0007780700000000 ] - [ -0.0055297900000000, -0.0028488600000000, -0.0021310500000000 ] - [ -0.0022013200000000, -0.5551603700000000, 0.0203629600000000 ] - [ 0.0008155200000000, -0.0001011600000000, -0.0004259700000000 ] - [ -0.0003988200000000, 0.0003435000000000, 0.0008546700000000 ] - [ -0.0001295600000000, 0.0175793000000000, -0.0074490600000000 ] - [ 0.0004278700000000, 0.0002997200000000, 0.0014543500000000 ] - [ 0.0028994600000000, 0.0011051200000000, -0.0010288700000000 ] - [ -0.0005311200000000, -0.0008632900000000, -0.0005531900000000 ] - [ 0.0008970100000000, -0.0006285800000000, -0.0003408200000000 ] - [ -0.0000733300000000, 0.0006557000000000, 0.0005608300000000 ] - [ 0.0022702000000000, 0.0074940600000000, 0.0038957800000000 ] - [ 0.0013771900000000, -0.0011962900000000, 0.0014161700000000 ] - [ -0.0017739000000000, -0.0005190800000000, 0.0005351400000000 ] - [ 0.0002905500000000, -0.0007537500000000, 0.0017080500000000 ] - [ -0.0092307500000000, -0.0014620200000000, -0.0201627300000000 ] - [ -0.0007038100000000, 0.0017507700000000, -0.0003211000000000 ] - [ 0.0009004400000000, 0.0005274500000000, 0.0026573900000000 ] - [ 0.0080950300000000, -0.0033315500000000, 0.0005031800000000 ] - [ 0.0007407500000000, -0.0012717300000000, -0.0014388600000000 ] - [ -0.0014340100000000, 0.0027666800000000, -0.0033407800000000 ] - [ 0.0005026200000000, -0.0000259400000000, -0.0014085000000000 ] - [ 0.0001392900000000, -0.0006331700000000, 0.0007210700000000 ] - [ 0.0277343600000000, 0.0722731500000000, 0.0249912800000000 ] - [ -0.0179304000000000, 0.0004107200000000, 0.0463235700000000 ] - [ 0.0000396800000000, -0.0004280200000000, -0.0009894600000000 ] - [ -0.0029438100000000, 0.0026790600000000, 0.0012014900000000 ] - [ 0.0020947000000000, 0.0020484500000000, 0.0009631700000000 ]- atom: 119 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0068083400000000, 0.0027225100000000, 0.0140044500000000 ] - [ -0.0000972000000000, 0.0000852800000000, 0.0000031500000000 ] - [ 0.0000694800000000, -0.0000543600000000, 0.0000138900000000 ] - [ 0.0045685100000000, -0.0185372300000000, 0.0003489400000000 ] - [ -0.0001276700000000, -0.0003182800000000, -0.0003479000000000 ] - [ 0.0003990300000000, -0.0003981100000000, -0.0000563900000000 ] - [ 0.0002707400000000, 0.0007153400000000, -0.0004161800000000 ] - [ -0.0004094400000000, 0.0002845100000000, -0.0004144000000000 ] - [ 0.0007217900000000, 0.0019230000000000, 0.0007066100000000 ] - [ 0.0008975600000000, 0.0011031500000000, -0.0002631400000000 ] - [ 0.0003182800000000, 0.0009169400000000, -0.0002337200000000 ] - [ -0.0018622900000000, 0.0046639100000000, 0.0009037100000000 ] - [ 0.0000289600000000, -0.0001688400000000, 0.0007018200000000 ] - [ -0.0009525400000000, -0.0000415500000000, 0.0010952800000000 ] - [ -0.0000540800000000, -0.0010637400000000, 0.0003006100000000 ] - [ 0.0020086900000000, -0.0043370300000000, 0.0003717400000000 ] - [ 0.0028862400000000, 0.0027434900000000, -0.0016465000000000 ] - [ 0.0006762000000000, -0.0001944400000000, -0.0008998000000000 ] - [ 0.0005249200000000, -0.0006349800000000, 0.0023594000000000 ] - [ -0.0014282500000000, 0.0006619800000000, -0.0034512000000000 ] - [ 0.0004425700000000, 0.0003530200000000, 0.0012116500000000 ] - [ 0.0008462800000000, 0.0003959300000000, 0.0056790600000000 ] - [ 0.0001786100000000, -0.0002599900000000, 0.0001528900000000 ] - [ -0.0013263600000000, 0.0000510000000000, -0.0009190900000000 ] - [ -0.0011811900000000, 0.0004191200000000, 0.0002118800000000 ] - [ -0.0000979300000000, 0.0001563500000000, 0.0003581000000000 ] - [ 0.0098642200000000, -0.0512457300000000, -0.0001545600000000 ] - [ -0.0000854300000000, -0.0003172300000000, 0.0001370600000000 ] - [ 0.0003530200000000, -0.0000977700000000, -0.0002667100000000 ] - [ 0.0015324200000000, 0.0022000500000000, -0.0017309100000000 ] - [ -0.0003606000000000, -0.0003506300000000, 0.0003295300000000 ] - [ -0.0047162100000000, -0.0054175900000000, 0.0021501500000000 ] - [ -0.0004594300000000, 0.0024779100000000, 0.0014239500000000 ] - [ -0.0004764400000000, 0.0006243900000000, 0.0001628700000000 ] - [ -0.0007466600000000, -0.0012312900000000, 0.0005052400000000 ] - [ 0.0004703500000000, 0.0016110400000000, -0.0005077900000000 ] - [ 0.0002778700000000, -0.0009463400000000, -0.0024738500000000 ] - [ 0.0000437800000000, -0.0003165700000000, -0.0000635800000000 ] - [ -0.0002969900000000, -0.0002837500000000, 0.0003762300000000 ] - [ 0.0007672000000000, -0.0070838900000000, 0.0001285700000000 ] - [ -0.0024124500000000, 0.0022367100000000, -0.0018081800000000 ] - [ 0.0001220000000000, 0.0000563000000000, -0.0008838600000000 ] - [ 0.0010509200000000, 0.0004636600000000, 0.0000356400000000 ] - [ 0.0024432800000000, 0.0013828800000000, -0.0022186200000000 ] - [ 0.0025688200000000, 0.0054546300000000, -0.0014078900000000 ] - [ 0.0006846900000000, -0.0000141900000000, -0.0002823000000000 ] - [ -0.0009128400000000, -0.0005055100000000, -0.0000158200000000 ] - [ -0.0011923500000000, -0.0021264000000000, -0.0007639900000000 ] - [ 0.0001451900000000, -0.0001737800000000, -0.0011495600000000 ] - [ -0.0017286600000000, -0.0000463100000000, -0.0003035800000000 ] - [ -0.0017073300000000, 0.0021396700000000, 0.0013018300000000 ] - [ 0.0006136700000000, 0.0004436000000000, 0.0004251300000000 ] - [ -0.0056229900000000, 0.0019938200000000, 0.0124930300000000 ] - [ 0.0003337400000000, -0.0000002700000000, 0.0000232100000000 ] - [ -0.0001318300000000, -0.0003028900000000, -0.0003731800000000 ] - [ -0.0040556300000000, 0.0004647500000000, 0.0156337400000000 ] - [ 0.0004146300000000, -0.0010821600000000, -0.0000112800000000 ] - [ -0.0000736000000000, -0.0009569400000000, -0.0001138100000000 ] - [ 0.0005518800000000, 0.0012339300000000, 0.0005186100000000 ] - [ 0.0002837900000000, 0.0002879700000000, 0.0008058900000000 ] - [ -0.0048918300000000, 0.0140057000000000, 0.0010664600000000 ] - [ -0.0001479800000000, 0.0006005500000000, 0.0003129700000000 ] - [ 0.0001522600000000, 0.0002672500000000, -0.0003077400000000 ] - [ -0.0630470600000000, -0.2036701600000000, 0.0639609700000000 ] - [ 0.0001691700000000, -0.0012491300000000, -0.0005077700000000 ] - [ -0.0011875400000000, -0.0009597300000000, -0.0007406200000000 ] - [ -0.0002233000000000, 0.0000601000000000, 0.0004664100000000 ] - [ 0.0011756800000000, 0.0010405800000000, 0.0012335200000000 ] - [ 0.0003071200000000, 0.0000419300000000, 0.0009164300000000 ] - [ 0.0241729500000000, -0.0677615900000000, 0.0600287300000000 ] - [ -0.0005438900000000, 0.0001949900000000, -0.0003909800000000 ] - [ 0.0133150500000000, -0.0038069200000000, 0.0098025200000000 ] - [ -0.0024770700000000, -0.0000455100000000, 0.0013185900000000 ] - [ -0.0002503100000000, 0.0004016800000000, 0.0002675000000000 ] - [ 0.0013800100000000, -0.0000849400000000, 0.0000486800000000 ] - [ -0.0025732200000000, 0.0001469200000000, 0.0017371000000000 ] - [ 0.0004007400000000, -0.0002954100000000, -0.0003538300000000 ] - [ -0.0076646800000000, -0.0084904300000000, -0.0009274100000000 ] - [ -0.0080838900000000, 0.0129090500000000, -0.0008271000000000 ] - [ -0.0000165700000000, -0.0001979000000000, 0.0002636300000000 ] - [ 0.0004104800000000, 0.0000869800000000, 0.0006625500000000 ] - [ 0.0005684300000000, -0.0003454700000000, -0.0002192000000000 ] - [ -0.0008998100000000, 0.0000539600000000, 0.0006795700000000 ] - [ -0.0001893500000000, 0.0001213000000000, 0.0004563900000000 ] - [ 0.0454330700000000, -0.1615664400000000, -0.0903043000000000 ] - [ -0.0002008800000000, -0.0001203000000000, -0.0001707000000000 ] - [ 0.0003219800000000, -0.0000799300000000, 0.0001510600000000 ] - [ 0.0064835500000000, 0.0127709100000000, -0.0117988500000000 ] - [ 0.0018537800000000, -0.0010414000000000, 0.0013986300000000 ] - [ -0.0006652600000000, -0.0001752500000000, -0.0003143800000000 ] - [ -0.0006789000000000, -0.0011760000000000, -0.0000354500000000 ] - [ 0.0025699000000000, -0.0009450600000000, 0.0026268800000000 ] - [ 0.0028706700000000, -0.0095994200000000, 0.0005597400000000 ] - [ 0.0000609900000000, 0.0005119600000000, -0.0000058900000000 ] - [ -0.0002816800000000, 0.0007501500000000, 0.0000731700000000 ] - [ 0.0057510100000000, 0.0160350200000000, 0.0029005200000000 ] - [ 0.0001576900000000, -0.0000132000000000, 0.0002867200000000 ] - [ -0.0001394100000000, -0.0003415000000000, -0.0000019000000000 ] - [ 0.0015569500000000, -0.0006068400000000, 0.0002515700000000 ] - [ 0.0002980800000000, -0.0003351800000000, 0.0001098300000000 ] - [ -0.0005607900000000, 0.0029310100000000, -0.0029709700000000 ] - [ 0.0000429200000000, 0.0002618900000000, 0.0000731900000000 ] - [ 0.0071543000000000, 0.0058747200000000, 0.0068928100000000 ] - [ 0.0003321800000000, 0.0005211400000000, 0.0003608300000000 ] - [ 0.0004056800000000, 0.0013505000000000, -0.0000572700000000 ] - [ -0.0076143900000000, 0.0125342600000000, -0.0112448100000000 ] - [ -0.0056837800000000, -0.0066980600000000, -0.0041979700000000 ] - [ 0.0009957800000000, -0.0005906100000000, 0.0004543800000000 ] - [ -0.0043111900000000, 0.0037943100000000, 0.0018490400000000 ] - [ 0.0001870500000000, 0.0006988400000000, -0.0001086200000000 ] - [ -0.0009383900000000, 0.0002002200000000, -0.0011107300000000 ] - [ 0.0038787600000000, 0.0070113500000000, -0.0165722100000000 ] - [ 0.0017069900000000, -0.0017434100000000, -0.0063615300000000 ] - [ 0.0002574100000000, -0.0017564600000000, 0.0013290500000000 ] - [ 0.0087034700000000, -0.0125026500000000, 0.0007128400000000 ] - [ -0.0006575500000000, -0.0004388700000000, 0.0007227500000000 ] - [ -0.0000745300000000, 0.0009668400000000, 0.0001171700000000 ] - [ 0.0057559900000000, 0.0027093400000000, 0.0014645200000000 ] - [ -0.0096908100000000, 0.5455458000000000, -0.0093304400000000 ] - [ -0.0001141200000000, 0.0002871600000000, -0.0009090700000000 ] - [ -0.0003147900000000, -0.0001547200000000, 0.0004806300000000 ] - [ -0.0005680400000000, -0.0173986300000000, 0.0087880900000000 ] - [ -0.0011289500000000, -0.0004865400000000, -0.0001188400000000 ] - [ -0.0035957600000000, -0.0012798800000000, 0.0023644900000000 ] - [ 0.0012308500000000, 0.0006716700000000, -0.0007777900000000 ] - [ -0.0001975500000000, 0.0004383900000000, -0.0010031000000000 ] - [ 0.0007907400000000, -0.0011228600000000, -0.0002146700000000 ] - [ -0.0015188000000000, -0.0079575800000000, -0.0035351400000000 ] - [ -0.0011449400000000, 0.0021048500000000, -0.0004079100000000 ] - [ 0.0020045600000000, 0.0014290500000000, 0.0004745600000000 ] - [ -0.0007827800000000, -0.0000126100000000, -0.0022469800000000 ] - [ 0.0087404400000000, 0.0007461800000000, 0.0196166000000000 ] - [ 0.0012034500000000, -0.0025023000000000, 0.0008668100000000 ] - [ -0.0004072700000000, -0.0012876400000000, -0.0021062800000000 ] - [ -0.0076114300000000, 0.0041995700000000, 0.0000631200000000 ] - [ -0.0002484300000000, 0.0020435300000000, 0.0019843500000000 ] - [ 0.0009173000000000, -0.0020011600000000, 0.0027559300000000 ] - [ -0.0009986400000000, 0.0007910700000000, 0.0008626900000000 ] - [ 0.0000931300000000, -0.0002831800000000, 0.0002918000000000 ] - [ -0.0273098700000000, -0.0730224200000000, -0.0240727800000000 ] - [ 0.0177075300000000, -0.0013358600000000, -0.0473683300000000 ] - [ -0.0002763600000000, -0.0004857600000000, -0.0000268700000000 ] - [ 0.0026867400000000, -0.0017638100000000, -0.0021783400000000 ] - [ -0.0023276600000000, -0.0011370500000000, -0.0019751000000000 ]- atom: 119 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ -0.0053914400000000, -0.0076734700000000, 0.0072161800000000 ] - [ -0.0005720600000000, 0.0002053100000000, -0.0000348700000000 ] - [ -0.0006634100000000, -0.0000073100000000, -0.0001238700000000 ] - [ 0.0010631800000000, 0.0083035800000000, -0.0084153100000000 ] - [ 0.0010598700000000, -0.0000095400000000, 0.0003594400000000 ] - [ -0.0011508700000000, 0.0001347900000000, 0.0015859900000000 ] - [ -0.0015191000000000, 0.0009343000000000, 0.0023907800000000 ] - [ 0.0002902300000000, 0.0000385700000000, 0.0000776500000000 ] - [ 0.0015328100000000, -0.0005692400000000, -0.0025858200000000 ] - [ 0.0000472000000000, 0.0013316200000000, -0.0009960100000000 ] - [ 0.0034567800000000, -0.0010769400000000, -0.0030755200000000 ] - [ -0.0090425500000000, 0.0116638700000000, 0.0033485600000000 ] - [ -0.0013412400000000, 0.0034036200000000, -0.0023845900000000 ] - [ 0.0004750600000000, 0.0010751600000000, -0.0005164100000000 ] - [ 0.0068653100000000, -0.0059935700000000, -0.0036724700000000 ] - [ -0.0011817900000000, -0.0007622500000000, 0.0036533500000000 ] - [ -0.0036871900000000, -0.0041619800000000, 0.0008403500000000 ] - [ 0.0028614500000000, 0.0013349200000000, -0.0023301800000000 ] - [ -0.0007605600000000, 0.0014808300000000, -0.0060617000000000 ] - [ -0.0044200000000000, 0.0029221500000000, -0.0078077000000000 ] - [ -0.0008374900000000, -0.0011818200000000, -0.0028583600000000 ] - [ -0.0011788200000000, -0.0021661900000000, -0.0005116500000000 ] - [ 0.0072554100000000, -0.0026618700000000, 0.0113221800000000 ] - [ 0.0043968400000000, -0.0012997300000000, 0.0036250300000000 ] - [ 0.0027017400000000, -0.0004070100000000, -0.0013601500000000 ] - [ -0.0022007300000000, 0.0005522800000000, 0.0000488100000000 ] - [ -0.1914127200000000, 0.0186799400000000, 0.0371314300000000 ] - [ 0.0017268500000000, 0.0001843800000000, 0.0002254000000000 ] - [ -0.0010990300000000, 0.0002641600000000, 0.0002763300000000 ] - [ 0.0064906800000000, -0.0026919300000000, -0.0013983000000000 ] - [ 0.0039405600000000, 0.0013290500000000, -0.0026600400000000 ] - [ -0.0107722200000000, -0.0072883800000000, 0.0023754800000000 ] - [ -0.0006747100000000, -0.0018502700000000, -0.0020966700000000 ] - [ 0.0011996600000000, -0.0002421100000000, -0.0012864300000000 ] - [ 0.0074992300000000, 0.0061973200000000, -0.0029107000000000 ] - [ -0.0002937100000000, 0.0001509600000000, 0.0032247300000000 ] - [ -0.0062893200000000, 0.0031992600000000, 0.0011530900000000 ] - [ 0.0026622700000000, -0.0015021100000000, -0.0013266700000000 ] - [ -0.0000133000000000, -0.0007888700000000, -0.0008103100000000 ] - [ 0.0003752000000000, -0.0086210500000000, -0.0035543400000000 ] - [ -0.0015010600000000, 0.0015889000000000, 0.0024608800000000 ] - [ 0.0014769300000000, 0.0006312700000000, 0.0008800500000000 ] - [ 0.0013288600000000, 0.0006269200000000, -0.0005988000000000 ] - [ 0.0040908500000000, 0.0031240900000000, -0.0058751100000000 ] - [ -0.0056260800000000, 0.0119043100000000, 0.0033161400000000 ] - [ 0.0015156800000000, -0.0005904700000000, 0.0001302800000000 ] - [ -0.0014878600000000, -0.0035563200000000, 0.0022980200000000 ] - [ 0.0037018900000000, 0.0030579000000000, -0.0005469100000000 ] - [ -0.0020148700000000, 0.0002893100000000, 0.0041185200000000 ] - [ 0.0055578000000000, -0.0007818900000000, -0.0073449500000000 ] - [ -0.0017121400000000, 0.0009056900000000, 0.0028348900000000 ] - [ 0.0003802400000000, 0.0000988200000000, 0.0013213300000000 ] - [ 0.0066496300000000, -0.0030307900000000, -0.0138281600000000 ] - [ 0.0002012800000000, 0.0000079200000000, -0.0010764100000000 ] - [ 0.0008874300000000, 0.0000073900000000, -0.0029554000000000 ] - [ -0.0057828800000000, -0.0047534700000000, 0.0104523500000000 ] - [ -0.0010815000000000, 0.0002800600000000, -0.0006079100000000 ] - [ 0.0015164500000000, -0.0009394800000000, -0.0022561700000000 ] - [ 0.0021758200000000, 0.0037846300000000, -0.0024221200000000 ] - [ -0.0003453400000000, -0.0005912400000000, 0.0002027000000000 ] - [ 0.0052702400000000, -0.0098531700000000, -0.0026922100000000 ] - [ 0.0000278400000000, 0.0006236300000000, 0.0004779600000000 ] - [ 0.0011283200000000, 0.0010612000000000, -0.0003632000000000 ] - [ -0.0635206900000000, -0.0741648000000000, 0.0792867000000000 ] - [ -0.0065026200000000, -0.0018722000000000, -0.0039153900000000 ] - [ 0.0010407600000000, -0.0002584100000000, -0.0011559200000000 ] - [ 0.0015296400000000, 0.0001890000000000, -0.0004433600000000 ] - [ -0.0004817800000000, 0.0014260300000000, 0.0021664900000000 ] - [ 0.0009194400000000, 0.0001014500000000, 0.0000328700000000 ] - [ 0.0249866200000000, -0.0388099300000000, 0.1733274200000000 ] - [ 0.0029556200000000, -0.0017510100000000, 0.0002308800000000 ] - [ 0.0060923400000000, -0.0034548000000000, 0.0073689200000000 ] - [ 0.0039996500000000, 0.0009089500000000, -0.0020217500000000 ] - [ -0.0042164600000000, -0.0003060300000000, -0.0005878700000000 ] - [ 0.0000724300000000, 0.0000650100000000, -0.0007914600000000 ] - [ 0.0003486000000000, -0.0019733600000000, -0.0002933800000000 ] - [ 0.0027094200000000, -0.0006193900000000, 0.0010826500000000 ] - [ 0.0145784500000000, 0.0033688600000000, -0.0040980400000000 ] - [ -0.0093899500000000, 0.0041368500000000, 0.0026157000000000 ] - [ 0.0019269200000000, -0.0007344600000000, 0.0006040200000000 ] - [ -0.0000544700000000, 0.0000800800000000, -0.0002153500000000 ] - [ 0.0034381600000000, -0.0020578000000000, -0.0077477600000000 ] - [ 0.0015560200000000, 0.0013943900000000, -0.0038805100000000 ] - [ -0.0009926000000000, -0.0000492600000000, 0.0001168500000000 ] - [ -0.0767352900000000, 0.1094943800000000, 0.1374389300000000 ] - [ 0.0006009300000000, -0.0003464600000000, -0.0007129800000000 ] - [ 0.0004368500000000, -0.0001882500000000, 0.0003258500000000 ] - [ 0.0018256000000000, 0.0010294300000000, 0.0005207300000000 ] - [ -0.0040793800000000, 0.0004641700000000, -0.0023291900000000 ] - [ 0.0010059300000000, -0.0009252600000000, -0.0010444000000000 ] - [ 0.0013140200000000, -0.0022009000000000, -0.0015780300000000 ] - [ -0.0006352300000000, -0.0022090500000000, 0.0016991000000000 ] - [ -0.0069745200000000, 0.0081964700000000, -0.0105723600000000 ] - [ 0.0013081400000000, 0.0000370200000000, 0.0000767600000000 ] - [ 0.0024969500000000, 0.0023402300000000, 0.0002376400000000 ] - [ 0.0046217300000000, 0.0085214500000000, 0.0064889200000000 ] - [ -0.0011981300000000, -0.0004094900000000, -0.0000158000000000 ] - [ 0.0006990300000000, -0.0003321300000000, -0.0020709200000000 ] - [ 0.0025036900000000, 0.0042764500000000, -0.0095907800000000 ] - [ 0.0003168100000000, -0.0002521800000000, 0.0005569500000000 ] - [ -0.0001451600000000, -0.0017143500000000, -0.0050779900000000 ] - [ -0.0002835600000000, 0.0001897900000000, -0.0007288900000000 ] - [ -0.0097448200000000, -0.0070107700000000, -0.0079556700000000 ] - [ 0.0018100000000000, 0.0009880700000000, 0.0004715800000000 ] - [ -0.0082329700000000, 0.0053410600000000, 0.0054356100000000 ] - [ 0.0033773200000000, 0.0095128500000000, -0.0128931400000000 ] - [ 0.0105966700000000, 0.0077319200000000, 0.0060221800000000 ] - [ -0.0025332800000000, -0.0008021500000000, 0.0024805300000000 ] - [ 0.0136799300000000, -0.0075048400000000, 0.0081355100000000 ] - [ -0.0033969800000000, 0.0004081500000000, 0.0017764800000000 ] - [ 0.0003763100000000, 0.0013561900000000, 0.0031677200000000 ] - [ 0.0025200800000000, 0.0121264300000000, -0.0040570100000000 ] - [ -0.0048779800000000, 0.0006461900000000, 0.0121954200000000 ] - [ 0.0045488300000000, -0.0030278200000000, 0.0044654000000000 ] - [ 0.0119907800000000, -0.0083832300000000, -0.0042047200000000 ] - [ -0.0028727400000000, -0.0001102800000000, -0.0009965100000000 ] - [ -0.0036913100000000, 0.0059872200000000, -0.0099059000000000 ] - [ -0.0169258000000000, -0.0015024300000000, 0.0021832100000000 ] - [ 0.3446133600000000, 0.0134309300000000, -0.4824663100000000 ] - [ -0.0025384800000000, 0.0000243400000000, -0.0002080900000000 ] - [ 0.0004347600000000, -0.0000825000000000, 0.0003486400000000 ] - [ -0.0070680300000000, 0.0068755000000000, 0.0055413300000000 ] - [ -0.0005836800000000, 0.0001031600000000, 0.0006417800000000 ] - [ -0.0058578700000000, -0.0033650500000000, 0.0150208300000000 ] - [ -0.0036277200000000, -0.0006897600000000, 0.0040781300000000 ] - [ 0.0030263400000000, -0.0000507400000000, -0.0003514200000000 ] - [ -0.0062062100000000, -0.0024851100000000, 0.0044667200000000 ] - [ 0.0030094400000000, -0.0093246900000000, -0.0134813400000000 ] - [ 0.0082399300000000, 0.0001577200000000, 0.0011317500000000 ] - [ -0.0068967300000000, 0.0007830300000000, 0.0096019000000000 ] - [ -0.0040882200000000, -0.0007980500000000, 0.0050979400000000 ] - [ 0.0237644600000000, -0.0074318700000000, 0.0441932100000000 ] - [ -0.0014454000000000, 0.0006923500000000, 0.0074698400000000 ] - [ 0.0005109200000000, -0.0010679000000000, 0.0029615000000000 ] - [ -0.0439623000000000, -0.0298338100000000, -0.0011553700000000 ] - [ -0.0028630100000000, 0.0007033000000000, -0.0041065900000000 ] - [ 0.0074285600000000, 0.0020188500000000, -0.0055330400000000 ] - [ -0.0078385300000000, -0.0001911600000000, 0.0021990900000000 ] - [ -0.0044901900000000, -0.0006130700000000, 0.0001815500000000 ] - [ -0.0051263000000000, -0.0246389200000000, -0.0241702400000000 ] - [ -0.0164782400000000, 0.0127924500000000, 0.0582540400000000 ] - [ -0.0030140300000000, -0.0008298100000000, -0.0000297200000000 ] - [ -0.0022653100000000, -0.0003802700000000, 0.0016072500000000 ] - [ 0.0008688900000000, 0.0005283900000000, -0.0009217800000000 ]- atom: 119 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ 0.0052334300000000, 0.0077962100000000, -0.0073327200000000 ] - [ 0.0003543100000000, -0.0001827300000000, 0.0000180500000000 ] - [ 0.0008839300000000, 0.0000300300000000, 0.0001407800000000 ] - [ -0.0008373700000000, -0.0083364200000000, 0.0084406600000000 ] - [ -0.0008423100000000, -0.0000128800000000, -0.0003434800000000 ] - [ 0.0013692800000000, -0.0001584100000000, -0.0015670300000000 ] - [ 0.0012924900000000, -0.0009512000000000, -0.0023966400000000 ] - [ -0.0005120200000000, -0.0000609800000000, -0.0000958900000000 ] - [ -0.0003267600000000, 0.0006142200000000, 0.0022338900000000 ] - [ 0.0011541500000000, -0.0012959700000000, 0.0006491300000000 ] - [ -0.0022564800000000, 0.0020430700000000, 0.0017392600000000 ] - [ 0.0102747600000000, -0.0107295400000000, -0.0046881600000000 ] - [ 0.0001402800000000, -0.0024562900000000, 0.0037390500000000 ] - [ -0.0016820600000000, -0.0001134500000000, 0.0018595700000000 ] - [ -0.0080693500000000, 0.0050518900000000, 0.0050374000000000 ] - [ -0.0000099700000000, -0.0002128900000000, -0.0023240000000000 ] - [ 0.0048908500000000, 0.0031954800000000, -0.0021839300000000 ] - [ -0.0016623300000000, -0.0023005200000000, 0.0009877200000000 ] - [ 0.0006370000000000, -0.0014878100000000, 0.0050598700000000 ] - [ 0.0043169800000000, -0.0029450000000000, 0.0068463700000000 ] - [ 0.0009672000000000, 0.0011763900000000, 0.0038693200000000 ] - [ 0.0012995000000000, 0.0021562400000000, 0.0015116700000000 ] - [ -0.0071523300000000, 0.0026702000000000, -0.0103444100000000 ] - [ -0.0042891500000000, 0.0013133100000000, -0.0026384600000000 ] - [ -0.0037070900000000, 0.0010453500000000, 0.0017491000000000 ] - [ 0.0011920700000000, 0.0000892600000000, 0.0003408000000000 ] - [ 0.1837416500000000, -0.0191163700000000, -0.0383192900000000 ] - [ -0.0027344100000000, -0.0008248000000000, 0.0001619100000000 ] - [ 0.0021065000000000, -0.0009059400000000, -0.0006659600000000 ] - [ -0.0054710300000000, 0.0020442300000000, 0.0010063100000000 ] - [ -0.0039075800000000, -0.0011387400000000, 0.0027794900000000 ] - [ 0.0108244900000000, 0.0074898900000000, -0.0022561100000000 ] - [ 0.0006484300000000, 0.0020335100000000, 0.0019782100000000 ] - [ -0.0012358000000000, 0.0004327900000000, 0.0011710500000000 ] - [ -0.0075576200000000, -0.0064133000000000, 0.0028057400000000 ] - [ 0.0002800600000000, -0.0003286000000000, -0.0033525400000000 ] - [ 0.0063405300000000, -0.0034011800000000, -0.0010405900000000 ] - [ -0.0026347300000000, 0.0013125700000000, 0.0014420600000000 ] - [ -0.0011885700000000, 0.0008348200000000, 0.0011629500000000 ] - [ -0.0016209900000000, 0.0086946800000000, 0.0038979200000000 ] - [ 0.0013683400000000, -0.0015839900000000, -0.0034672000000000 ] - [ -0.0016054300000000, -0.0006272000000000, -0.0018919200000000 ] - [ -0.0003178300000000, 0.0000152600000000, 0.0002106200000000 ] - [ -0.0031353500000000, -0.0024872100000000, 0.0054668200000000 ] - [ 0.0068404000000000, -0.0119445400000000, -0.0036647000000000 ] - [ -0.0003114900000000, 0.0005448900000000, -0.0004837700000000 ] - [ 0.0002850600000000, 0.0035186500000000, -0.0019498500000000 ] - [ -0.0049211400000000, -0.0031189700000000, 0.0008980100000000 ] - [ 0.0016173000000000, 0.0001331200000000, -0.0055643900000000 ] - [ -0.0059756900000000, 0.0012036800000000, 0.0059211300000000 ] - [ 0.0021059800000000, -0.0004886700000000, -0.0013829500000000 ] - [ 0.0000236800000000, 0.0003233700000000, 0.0001098700000000 ] - [ -0.0062453000000000, 0.0026140000000000, 0.0152610100000000 ] - [ 0.0001967300000000, -0.0004303100000000, 0.0025231800000000 ] - [ -0.0012875700000000, -0.0004290500000000, 0.0015216500000000 ] - [ 0.0053483100000000, 0.0043075300000000, -0.0118618800000000 ] - [ 0.0012854100000000, -0.0010145300000000, -0.0000671900000000 ] - [ -0.0013135500000000, 0.0002029200000000, 0.0015780000000000 ] - [ -0.0023779000000000, -0.0045063400000000, 0.0030926200000000 ] - [ 0.0001464200000000, -0.0001396300000000, 0.0004748200000000 ] - [ -0.0054445400000000, 0.0105550400000000, 0.0033607100000000 ] - [ -0.0002309900000000, 0.0001100000000000, 0.0001991700000000 ] - [ -0.0009266400000000, -0.0003270400000000, -0.0003136500000000 ] - [ 0.0642682400000000, 0.0776075600000000, -0.0799545900000000 ] - [ 0.0056800300000000, 0.0011168700000000, 0.0030684600000000 ] - [ -0.0018950500000000, -0.0005065700000000, 0.0002911700000000 ] - [ -0.0006753500000000, -0.0009578100000000, 0.0013144100000000 ] - [ 0.0013430400000000, -0.0021949600000000, -0.0013005000000000 ] - [ -0.0007684400000000, 0.0001870700000000, 0.0007380000000000 ] - [ -0.0214977600000000, 0.0374269800000000, -0.1681390400000000 ] - [ -0.0037995000000000, 0.0025122300000000, -0.0010889800000000 ] - [ -0.0069033800000000, 0.0042018300000000, -0.0082193500000000 ] - [ -0.0046588300000000, -0.0006050300000000, 0.0025797700000000 ] - [ 0.0035635800000000, 0.0006078800000000, 0.0011491400000000 ] - [ 0.0005990700000000, 0.0002350900000000, 0.0002356600000000 ] - [ 0.0003081800000000, 0.0022681500000000, -0.0002677300000000 ] - [ -0.0020545600000000, 0.0003188300000000, -0.0016426800000000 ] - [ -0.0139621600000000, -0.0036479200000000, 0.0035874600000000 ] - [ 0.0086980500000000, -0.0044185400000000, -0.0020578300000000 ] - [ -0.0025911700000000, 0.0004318600000000, -0.0000476000000000 ] - [ 0.0006950000000000, 0.0000922200000000, 0.0004016100000000 ] - [ -0.0028011300000000, 0.0022322100000000, 0.0079212700000000 ] - [ -0.0021934400000000, -0.0012229800000000, 0.0036944800000000 ] - [ 0.0003542400000000, 0.0002191300000000, -0.0002992100000000 ] - [ 0.0786462700000000, -0.1175097200000000, -0.1438183900000000 ] - [ -0.0012403900000000, 0.0001756000000000, 0.0005282600000000 ] - [ 0.0002012300000000, 0.0000166900000000, -0.0001396800000000 ] - [ -0.0011808400000000, -0.0012233400000000, -0.0003586000000000 ] - [ 0.0038910500000000, -0.0018904000000000, 0.0023053700000000 ] - [ -0.0012012300000000, -0.0004970500000000, 0.0010169800000000 ] - [ -0.0011138200000000, 0.0007749100000000, 0.0016059600000000 ] - [ 0.0008359900000000, 0.0007863400000000, -0.0016715300000000 ] - [ 0.0071846000000000, -0.0067578200000000, 0.0106641000000000 ] - [ -0.0011237500000000, 0.0013921100000000, -0.0000556500000000 ] - [ -0.0026917300000000, -0.0009193900000000, -0.0002591600000000 ] - [ -0.0047930300000000, -0.0070579900000000, -0.0065134000000000 ] - [ 0.0013498700000000, 0.0001208100000000, 0.0007858900000000 ] - [ -0.0005502100000000, 0.0000416600000000, 0.0028373700000000 ] - [ -0.0026097800000000, -0.0045317900000000, 0.0088293700000000 ] - [ -0.0004654400000000, -0.0000359800000000, -0.0013273300000000 ] - [ -0.0000076700000000, 0.0019948200000000, 0.0042969100000000 ] - [ 0.0001318100000000, 0.0000977300000000, -0.0000409500000000 ] - [ 0.0105835900000000, 0.0077742100000000, 0.0088064300000000 ] - [ -0.0009693800000000, -0.0002286000000000, 0.0003872400000000 ] - [ 0.0074942000000000, -0.0048742500000000, -0.0057927400000000 ] - [ -0.0041343300000000, -0.0090308800000000, 0.0125522000000000 ] - [ -0.0098748900000000, -0.0072522200000000, -0.0056730200000000 ] - [ 0.0032697000000000, 0.0012735100000000, -0.0021327900000000 ] - [ -0.0144710800000000, 0.0070725300000000, -0.0085184900000000 ] - [ 0.0026821200000000, -0.0008787100000000, -0.0021175700000000 ] - [ -0.0001614100000000, -0.0012140300000000, -0.0038409100000000 ] - [ -0.0022751200000000, -0.0119652300000000, 0.0034104000000000 ] - [ 0.0046470600000000, -0.0005088900000000, -0.0115342400000000 ] - [ -0.0047786000000000, 0.0031854100000000, -0.0038152700000000 ] - [ -0.0121782600000000, 0.0082326600000000, 0.0048556100000000 ] - [ 0.0026499000000000, -0.0000316400000000, 0.0016724400000000 ] - [ 0.0039274400000000, -0.0061477100000000, 0.0092571600000000 ] - [ 0.0172263300000000, 0.0013728400000000, -0.0028473600000000 ] - [ -0.3437338900000000, -0.0064421600000000, 0.4846036200000000 ] - [ 0.0032424800000000, 0.0001623700000000, -0.0011289800000000 ] - [ -0.0011355200000000, 0.0002714300000000, 0.0009879100000000 ] - [ 0.0063610500000000, -0.0066754900000000, -0.0041960000000000 ] - [ -0.0001248000000000, -0.0002928200000000, 0.0006937500000000 ] - [ 0.0051686500000000, 0.0031406100000000, -0.0136180700000000 ] - [ 0.0043290300000000, 0.0005057200000000, -0.0054116700000000 ] - [ -0.0023242400000000, -0.0001356400000000, -0.0009884400000000 ] - [ 0.0069373000000000, 0.0020229900000000, -0.0041447000000000 ] - [ -0.0023187100000000, 0.0088592400000000, 0.0138322700000000 ] - [ -0.0080232700000000, 0.0007490900000000, -0.0001239200000000 ] - [ 0.0071414700000000, 0.0001295600000000, -0.0085913500000000 ] - [ 0.0035906300000000, 0.0000303200000000, -0.0056516600000000 ] - [ -0.0241373000000000, 0.0066397400000000, -0.0447388100000000 ] - [ 0.0019382000000000, -0.0014436000000000, -0.0069262700000000 ] - [ -0.0000063300000000, 0.0003083100000000, -0.0024142600000000 ] - [ 0.0443367800000000, 0.0305812200000000, 0.0015596500000000 ] - [ 0.0033512600000000, 0.0000567100000000, 0.0046771400000000 ] - [ -0.0079327000000000, -0.0012510800000000, 0.0049940300000000 ] - [ 0.0073536100000000, 0.0009707300000000, -0.0027402200000000 ] - [ 0.0047266000000000, -0.0002984200000000, 0.0008274000000000 ] - [ 0.0053496900000000, 0.0237150900000000, 0.0251971400000000 ] - [ 0.0162435000000000, -0.0139475300000000, -0.0593607700000000 ] - [ 0.0027886600000000, -0.0000847500000000, -0.0009829500000000 ] - [ 0.0020159600000000, 0.0013003000000000, -0.0026280700000000 ] - [ -0.0011210500000000, 0.0003856800000000, -0.0000945200000000 ]- atom: 129 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ 0.0016357900000000, 0.0011258500000000, 0.0027382500000000 ] - [ 0.0011026700000000, -0.0012105800000000, -0.0016207300000000 ] - [ 0.0005979100000000, 0.0003839100000000, -0.0015060000000000 ] - [ 0.0000825200000000, -0.0003351200000000, 0.0017698500000000 ] - [ -0.0131401100000000, 0.0044858500000000, -0.0005302200000000 ] - [ 0.0016741500000000, -0.0000008300000000, -0.0000758900000000 ] - [ 0.0008000000000000, -0.0000865400000000, -0.0002407700000000 ] - [ -0.0075714800000000, 0.0040967200000000, 0.0001345500000000 ] - [ -0.0023605800000000, -0.0022197800000000, 0.0007737100000000 ] - [ -0.0117991100000000, -0.0136145900000000, -0.0000305900000000 ] - [ -0.0017312900000000, 0.0026200200000000, 0.0019613700000000 ] - [ 0.0022253900000000, -0.0020403100000000, -0.0046003800000000 ] - [ -0.0151461800000000, -0.0171854900000000, 0.0025929600000000 ] - [ -0.0043160500000000, -0.0016816500000000, 0.0025145500000000 ] - [ -0.0017643600000000, 0.0006266300000000, 0.0025389200000000 ] - [ 0.0012080700000000, -0.0018280600000000, -0.0009550200000000 ] - [ 0.0070131500000000, 0.0094747500000000, -0.0087461000000000 ] - [ -0.0028816600000000, -0.0028533800000000, 0.0010996000000000 ] - [ -0.0020875700000000, -0.0000297200000000, 0.0021991600000000 ] - [ -0.0149925200000000, 0.0042830300000000, -0.0136787300000000 ] - [ 0.0013382000000000, 0.0007347000000000, 0.0054628400000000 ] - [ -0.0025025900000000, -0.0015322100000000, -0.0034365400000000 ] - [ 0.0045892700000000, -0.0034484700000000, 0.0156104400000000 ] - [ -0.0016156300000000, 0.0004160800000000, -0.0003923000000000 ] - [ -0.0070705400000000, 0.0017072000000000, 0.0008929900000000 ] - [ -0.0018324300000000, 0.0044599800000000, 0.0010173500000000 ] - [ 0.0019894600000000, 0.0003168600000000, -0.0013654300000000 ] - [ -0.0021037900000000, -0.0004959200000000, 0.0016502900000000 ] - [ 0.0060750000000000, -0.0024343100000000, 0.0006344000000000 ] - [ -0.0037621000000000, 0.0009887500000000, -0.0007468200000000 ] - [ -0.0028240700000000, -0.0015880000000000, 0.0022578600000000 ] - [ 0.0021171700000000, 0.0022904500000000, -0.0036568400000000 ] - [ -0.0043223400000000, 0.0043081200000000, 0.0000525200000000 ] - [ -0.0044059700000000, 0.0013303600000000, 0.0015270300000000 ] - [ -0.0013536200000000, -0.0010366900000000, 0.0015739300000000 ] - [ 0.0017248100000000, 0.0006471400000000, -0.0015544800000000 ] - [ 0.0121331600000000, -0.0197883000000000, -0.0175096200000000 ] - [ -0.0039026500000000, 0.0017138300000000, 0.0016180600000000 ] - [ -0.0017064800000000, -0.0012451500000000, 0.0037909700000000 ] - [ -0.0023234500000000, 0.0017146100000000, -0.0012549200000000 ] - [ 0.0011642900000000, -0.0005587700000000, -0.0022114800000000 ] - [ -0.0006423800000000, 0.0000210100000000, -0.0005084000000000 ] - [ -0.0021738000000000, 0.0014904200000000, 0.0037020100000000 ] - [ -0.0033997700000000, -0.0005091900000000, -0.0009049000000000 ] - [ 0.0017925700000000, -0.0016574600000000, -0.0009041600000000 ] - [ 0.0001473500000000, 0.0005857300000000, 0.0004369800000000 ] - [ 0.0046547200000000, 0.0140368500000000, 0.0059939400000000 ] - [ -0.0027702800000000, -0.0015779400000000, 0.0002546900000000 ] - [ 0.0319579400000000, -0.0041818400000000, -0.0291238200000000 ] - [ -0.0027206500000000, 0.0004338300000000, 0.0011273700000000 ] - [ 0.0002573900000000, 0.0001556000000000, -0.0002141100000000 ] - [ 0.0008586200000000, 0.0005399000000000, 0.0005637400000000 ] - [ -0.0032192200000000, 0.0006866800000000, 0.0028634800000000 ] - [ -0.0149547100000000, 0.0000399500000000, 0.0146359600000000 ] - [ -0.0012834900000000, -0.0014633100000000, 0.0044450100000000 ] - [ 0.0004542500000000, 0.0005331100000000, -0.0046990500000000 ] - [ 0.0176659000000000, -0.0070123100000000, 0.0057370600000000 ] - [ -0.0021540300000000, 0.0011571300000000, -0.0001819800000000 ] - [ -0.0015743500000000, -0.0014841900000000, 0.0004084900000000 ] - [ 0.0048488900000000, 0.0083925200000000, 0.0022354100000000 ] - [ -0.0022396100000000, 0.0034924300000000, -0.0021053300000000 ] - [ 0.0004156900000000, -0.0024540900000000, 0.0027647800000000 ] - [ -0.0006019300000000, 0.0008740200000000, 0.0018475900000000 ] - [ 0.0002809400000000, -0.0001441700000000, -0.0034292800000000 ] - [ 0.0741334200000000, 0.0222252700000000, 0.0174712600000000 ] - [ -0.0048408300000000, -0.0019322800000000, -0.0017943100000000 ] - [ -0.0005167900000000, -0.0001032500000000, 0.0009003000000000 ] - [ 0.0021476200000000, -0.0010191000000000, -0.0004968100000000 ] - [ 0.0006715700000000, -0.0002796400000000, 0.0056990600000000 ] - [ -0.0015339400000000, 0.0007878400000000, -0.0060953400000000 ] - [ -0.0006099000000000, 0.0000784000000000, 0.0008236500000000 ] - [ -0.0013357000000000, 0.0015884700000000, -0.0024965700000000 ] - [ -0.0060013300000000, -0.0015328300000000, 0.0003252500000000 ] - [ 0.0256831200000000, 0.0162775100000000, 0.0107163000000000 ] - [ 0.0047995800000000, -0.0019358400000000, 0.0013229900000000 ] - [ -0.0025291600000000, 0.0010852400000000, -0.0011682900000000 ] - [ -0.0050280500000000, 0.0008382600000000, 0.0062027000000000 ] - [ -0.0060302400000000, -0.0018847300000000, -0.0017127400000000 ] - [ -0.0000893700000000, -0.0001072800000000, -0.0009276800000000 ] - [ -0.0009511000000000, -0.0002521000000000, 0.0010266700000000 ] - [ 0.0147881300000000, 0.0027508800000000, -0.0062706600000000 ] - [ -0.0013943600000000, 0.0005752200000000, 0.0012711200000000 ] - [ -0.0024441000000000, -0.0006050200000000, 0.0014695300000000 ] - [ 0.0033070300000000, 0.0062429100000000, -0.0050001500000000 ] - [ 0.0008537900000000, -0.0014694000000000, -0.0067447100000000 ] - [ -0.0029453100000000, 0.0016058000000000, 0.0063330700000000 ] - [ -0.0001084100000000, -0.0009368900000000, 0.0036689900000000 ] - [ 0.0000713800000000, 0.0007379500000000, -0.0037271900000000 ] - [ 0.0224660700000000, -0.0209605200000000, 0.0026485000000000 ] - [ -0.0035918700000000, 0.0009078400000000, -0.0010773400000000 ] - [ -0.0007874100000000, -0.0009657800000000, 0.0004435200000000 ] - [ 0.0019154100000000, 0.0005476000000000, -0.0015470200000000 ] - [ -0.0138800900000000, 0.0022590300000000, -0.0127550700000000 ] - [ -0.0036293200000000, 0.0030560100000000, -0.0000464300000000 ] - [ -0.0001125200000000, 0.0010986400000000, 0.0014539400000000 ] - [ -0.0008240900000000, -0.0004709900000000, -0.0020936100000000 ] - [ 0.0062564600000000, 0.0058814400000000, 0.0104874500000000 ] - [ -0.0022212900000000, -0.0004362200000000, -0.0009538600000000 ] - [ -0.0007623300000000, -0.0001120900000000, -0.0002645900000000 ] - [ 0.0020853600000000, 0.0011737100000000, 0.0085170200000000 ] - [ -0.0033198300000000, -0.0007694900000000, -0.0044857800000000 ] - [ 0.0007663200000000, -0.0001634200000000, 0.0034429900000000 ] - [ -0.0061371200000000, 0.0031446300000000, -0.0056874800000000 ] - [ -0.0048052000000000, -0.0018285200000000, -0.0001980300000000 ] - [ 0.0023369600000000, 0.0007955600000000, -0.0037111600000000 ] - [ -0.0035782600000000, -0.0014241400000000, 0.0053617700000000 ] - [ 0.0121885800000000, -0.0251522900000000, 0.0178996300000000 ] - [ 0.0086160600000000, 0.0014701400000000, -0.0004804500000000 ] - [ 0.0417155100000000, 0.0539633600000000, 0.0474521900000000 ] - [ 0.0075275000000000, -0.0003630700000000, -0.0010250300000000 ] - [ -0.0034425800000000, 0.0029685600000000, -0.0084327900000000 ] - [ 0.0039201000000000, -0.0006502700000000, 0.0050701300000000 ] - [ 0.0075128700000000, 0.0005563600000000, -0.0026940600000000 ] - [ 0.0614622200000000, 0.0166188200000000, 0.0011055000000000 ] - [ -0.0007106200000000, 0.0014941600000000, 0.0027347900000000 ] - [ 0.0007126700000000, -0.0005215700000000, -0.0003296700000000 ] - [ 0.0063695600000000, -0.0128671000000000, -0.0461124200000000 ] - [ 0.0067743700000000, 0.0008554700000000, -0.0006410700000000 ] - [ -0.0015736400000000, 0.0013592400000000, 0.0079232100000000 ] - [ 0.0024134700000000, -0.0017917000000000, -0.0077697800000000 ] - [ -0.0040085000000000, 0.0029008900000000, -0.0045111000000000 ] - [ 0.0049871800000000, -0.0021208300000000, 0.0056240400000000 ] - [ -0.0003041200000000, -0.0178030400000000, -0.0190862800000000 ] - [ 0.0043019800000000, 0.0000629000000000, 0.0003832500000000 ] - [ 0.0078189600000000, -0.0001161000000000, -0.0010699700000000 ] - [ 0.0000130300000000, -0.0277118200000000, -0.0074061400000000 ] - [ 0.0026594900000000, -0.0013542700000000, -0.0036262800000000 ] - [ -0.0018412200000000, 0.0020496800000000, 0.0057276700000000 ] - [ -0.2468975300000000, -0.0134216400000000, 0.0021541600000000 ] - [ 0.0087532500000000, 0.0003067300000000, 0.0005408300000000 ] - [ 0.0063306400000000, 0.0000827300000000, -0.0101345600000000 ] - [ 0.0061335000000000, -0.0025406900000000, 0.0161626600000000 ] - [ 0.0133083900000000, 0.0052212700000000, -0.0056222400000000 ] - [ 0.0106303200000000, 0.0053931800000000, -0.0023743000000000 ] - [ -0.0035662300000000, 0.0017504200000000, -0.0051933500000000 ] - [ -0.0013546200000000, 0.0012049300000000, -0.0024139800000000 ] - [ -0.0289400900000000, -0.0024903100000000, 0.0022040500000000 ] - [ 0.0070837000000000, 0.0005732500000000, -0.0009739500000000 ] - [ 0.0020061300000000, -0.0004012900000000, -0.0059150100000000 ] - [ 0.0007034900000000, -0.0002701400000000, 0.0074913000000000 ] - [ 0.0135067300000000, -0.0067632100000000, 0.0106626600000000 ] - [ 0.0135754300000000, 0.0006221500000000, -0.0148959200000000 ] - [ 0.0029489500000000, 0.0004375600000000, -0.0005850300000000 ] - [ -0.0091636900000000, -0.0024867400000000, 0.0025817500000000 ]- atom: 129 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0018459400000000, -0.0010969000000000, -0.0027430800000000 ] - [ -0.0013203900000000, 0.0012380500000000, 0.0016075900000000 ] - [ -0.0003788600000000, -0.0003624900000000, 0.0015248900000000 ] - [ 0.0001364700000000, 0.0003555500000000, -0.0017505100000000 ] - [ 0.0134105300000000, -0.0044836300000000, 0.0005475500000000 ] - [ -0.0014535500000000, -0.0000234500000000, 0.0000905600000000 ] - [ -0.0010201000000000, 0.0000641300000000, 0.0002219700000000 ] - [ 0.0073313300000000, -0.0041593800000000, -0.0000991300000000 ] - [ 0.0035645300000000, 0.0022684600000000, -0.0011215300000000 ] - [ 0.0129821400000000, 0.0136711900000000, -0.0003119300000000 ] - [ 0.0029365200000000, -0.0016560100000000, -0.0033008300000000 ] - [ -0.0010331000000000, 0.0030145100000000, 0.0032692000000000 ] - [ 0.0139205700000000, 0.0181017700000000, -0.0012531100000000 ] - [ 0.0031089800000000, 0.0026382100000000, -0.0011692500000000 ] - [ 0.0005582500000000, -0.0015856700000000, -0.0011897900000000 ] - [ -0.0024182400000000, 0.0008636600000000, 0.0022927400000000 ] - [ -0.0057851500000000, -0.0104585000000000, 0.0074330300000000 ] - [ 0.0040844600000000, 0.0018915200000000, -0.0024442700000000 ] - [ 0.0019561800000000, 0.0000242600000000, -0.0031827500000000 ] - [ 0.0149047000000000, -0.0042690400000000, 0.0127141200000000 ] - [ -0.0012025000000000, -0.0007413500000000, -0.0044406600000000 ] - [ 0.0026259400000000, 0.0015241700000000, 0.0044404000000000 ] - [ -0.0044627300000000, 0.0034310400000000, -0.0145183500000000 ] - [ 0.0017324700000000, -0.0004026300000000, 0.0013798900000000 ] - [ 0.0060542900000000, -0.0010665500000000, -0.0005019200000000 ] - [ 0.0007507500000000, -0.0037941000000000, -0.0006139100000000 ] - [ -0.0029804200000000, -0.0009542900000000, 0.0017518700000000 ] - [ 0.0011058800000000, -0.0001429500000000, -0.0012682900000000 ] - [ -0.0050879000000000, 0.0018048800000000, -0.0010189700000000 ] - [ 0.0047629700000000, -0.0016281100000000, 0.0003561300000000 ] - [ 0.0028556200000000, 0.0017782400000000, -0.0021387800000000 ] - [ -0.0021025500000000, -0.0021133000000000, 0.0037832400000000 ] - [ 0.0043081600000000, -0.0041152100000000, -0.0001700000000000 ] - [ 0.0043704100000000, -0.0011321500000000, -0.0016397100000000 ] - [ 0.0013182100000000, 0.0008437600000000, -0.0016850300000000 ] - [ -0.0017650900000000, -0.0008372200000000, 0.0014368100000000 ] - [ -0.0120805100000000, 0.0195390800000000, 0.0175797800000000 ] - [ 0.0039361600000000, -0.0019060400000000, -0.0015047000000000 ] - [ 0.0005074000000000, 0.0012851900000000, -0.0034203000000000 ] - [ 0.0011209300000000, -0.0016729700000000, 0.0016094100000000 ] - [ -0.0012787900000000, 0.0005711800000000, 0.0012253800000000 ] - [ 0.0005122000000000, -0.0000183100000000, -0.0005103000000000 ] - [ 0.0032640700000000, -0.0008607000000000, -0.0041074300000000 ] - [ 0.0044125900000000, 0.0011512600000000, 0.0005207300000000 ] - [ -0.0005832700000000, 0.0016089900000000, 0.0005548800000000 ] - [ 0.0010580600000000, -0.0006349700000000, -0.0007956000000000 ] - [ -0.0058684300000000, -0.0140334800000000, -0.0056152900000000 ] - [ 0.0015625100000000, 0.0015306000000000, 0.0000934700000000 ] - [ -0.0325330700000000, 0.0047944500000000, 0.0287147400000000 ] - [ 0.0023176500000000, -0.0000131400000000, -0.0025666500000000 ] - [ 0.0001432000000000, 0.0002650700000000, 0.0016585500000000 ] - [ -0.0004507900000000, -0.0001168200000000, 0.0008525300000000 ] - [ 0.0036105900000000, -0.0011017100000000, -0.0014246300000000 ] - [ 0.0154186100000000, -0.0004342800000000, -0.0132476800000000 ] - [ 0.0008877900000000, 0.0010383200000000, -0.0058775200000000 ] - [ -0.0008560600000000, -0.0009564000000000, 0.0032645600000000 ] - [ -0.0174310900000000, 0.0065006200000000, -0.0064941400000000 ] - [ 0.0023537200000000, -0.0018906200000000, -0.0004936000000000 ] - [ 0.0013735200000000, 0.0007523400000000, 0.0002728100000000 ] - [ -0.0050502800000000, -0.0091886400000000, -0.0015791200000000 ] - [ 0.0020349300000000, -0.0027520700000000, 0.0027773100000000 ] - [ -0.0006233800000000, 0.0032008400000000, -0.0020939500000000 ] - [ 0.0008051600000000, -0.0001427900000000, -0.0025287900000000 ] - [ -0.0000784300000000, 0.0008739900000000, 0.0027436200000000 ] - [ -0.0708627200000000, -0.0206884900000000, -0.0164807200000000 ] - [ 0.0039946500000000, 0.0011688500000000, 0.0009326800000000 ] - [ 0.0013658700000000, -0.0006609400000000, -0.0000347300000000 ] - [ -0.0013203100000000, 0.0002684200000000, 0.0013477700000000 ] - [ -0.0005179900000000, 0.0005691300000000, -0.0049321500000000 ] - [ 0.0016873200000000, -0.0005008200000000, 0.0068671000000000 ] - [ -0.0002365000000000, 0.0006828600000000, -0.0016831600000000 ] - [ 0.0004770700000000, -0.0008247600000000, 0.0016288500000000 ] - [ 0.0053306100000000, 0.0018340600000000, 0.0002334500000000 ] - [ -0.0282496300000000, -0.0177490700000000, -0.0109508400000000 ] - [ -0.0041079800000000, 0.0022361400000000, -0.0018815800000000 ] - [ 0.0031951800000000, -0.0007851200000000, 0.0006130800000000 ] - [ 0.0056765300000000, -0.0011530100000000, -0.0067861000000000 ] - [ 0.0066802400000000, 0.0015815500000000, 0.0011504100000000 ] - [ -0.0005679100000000, -0.0001958500000000, 0.0014849000000000 ] - [ 0.0002897500000000, -0.0000508800000000, -0.0004731700000000 ] - [ -0.0141716500000000, -0.0025870300000000, 0.0063059700000000 ] - [ 0.0020330300000000, -0.0004030400000000, -0.0010802500000000 ] - [ 0.0018019000000000, 0.0007739000000000, -0.0016480700000000 ] - [ -0.0039572000000000, -0.0060286800000000, 0.0047893900000000 ] - [ -0.0014888400000000, 0.0012971100000000, 0.0065450900000000 ] - [ 0.0023122800000000, -0.0017812600000000, -0.0065339400000000 ] - [ 0.0007431100000000, 0.0007666900000000, -0.0034850000000000 ] - [ 0.0005673000000000, -0.0009081300000000, 0.0039035200000000 ] - [ -0.0227165400000000, 0.0189803600000000, -0.0026161500000000 ] - [ 0.0034026700000000, -0.0023326200000000, 0.0010540600000000 ] - [ 0.0009783600000000, -0.0004577400000000, -0.0004160400000000 ] - [ -0.0017430200000000, -0.0019786600000000, 0.0015534800000000 ] - [ 0.0140350200000000, -0.0008486500000000, 0.0127383900000000 ] - [ 0.0038232800000000, -0.0016348300000000, 0.0000662000000000 ] - [ -0.0000761400000000, 0.0003279400000000, -0.0014770300000000 ] - [ 0.0006287000000000, 0.0018968200000000, 0.0020661100000000 ] - [ -0.0061060100000000, -0.0061310300000000, -0.0096542200000000 ] - [ 0.0023688800000000, 0.0001471700000000, 0.0017201100000000 ] - [ 0.0006183200000000, -0.0001780900000000, -0.0004881200000000 ] - [ -0.0022388000000000, -0.0014688900000000, -0.0093524800000000 ] - [ 0.0031650500000000, 0.0010549300000000, 0.0037136500000000 ] - [ -0.0009228500000000, 0.0004560000000000, -0.0042152400000000 ] - [ 0.0070141800000000, -0.0023353300000000, 0.0065636200000000 ] - [ 0.0056585200000000, 0.0025942200000000, 0.0010571500000000 ] - [ -0.0030606000000000, -0.0003261900000000, 0.0033578400000000 ] - [ 0.0028902400000000, 0.0019071700000000, -0.0056936800000000 ] - [ -0.0115919500000000, 0.0255661400000000, -0.0175419700000000 ] - [ -0.0078951700000000, -0.0010061500000000, 0.0008225600000000 ] - [ -0.0421479100000000, -0.0540013700000000, -0.0474549000000000 ] - [ -0.0082589900000000, -0.0000992100000000, 0.0006806800000000 ] - [ 0.0036287700000000, -0.0028121600000000, 0.0077487200000000 ] - [ -0.0036976100000000, 0.0008003500000000, -0.0057403900000000 ] - [ -0.0077208800000000, -0.0004224500000000, 0.0033490900000000 ] - [ -0.0619782900000000, -0.0167357000000000, -0.0005305200000000 ] - [ 0.0004750900000000, -0.0016392300000000, -0.0020799800000000 ] - [ -0.0009383200000000, 0.0003832200000000, 0.0010192300000000 ] - [ -0.0059581800000000, 0.0127338300000000, 0.0454574400000000 ] - [ -0.0065330000000000, -0.0010012100000000, -0.0000140400000000 ] - [ 0.0022607800000000, -0.0011663700000000, -0.0092483600000000 ] - [ -0.0017225200000000, 0.0019860100000000, 0.0064458800000000 ] - [ 0.0033329200000000, -0.0027259500000000, 0.0058514300000000 ] - [ -0.0056817200000000, 0.0023044600000000, -0.0042787700000000 ] - [ -0.0005033800000000, 0.0177227600000000, 0.0205523700000000 ] - [ -0.0050131900000000, -0.0002513600000000, 0.0009413900000000 ] - [ -0.0071053500000000, -0.0000688000000000, -0.0002692500000000 ] - [ 0.0008414700000000, 0.0273877400000000, 0.0060364100000000 ] - [ -0.0019325800000000, 0.0008863500000000, 0.0039636600000000 ] - [ 0.0025932600000000, -0.0025353500000000, -0.0053809300000000 ] - [ 0.2449774200000000, 0.0138622000000000, -0.0035256900000000 ] - [ -0.0085136500000000, 0.0006098600000000, 0.0004667500000000 ] - [ -0.0068483700000000, -0.0008718400000000, 0.0095548900000000 ] - [ -0.0066336500000000, 0.0017857200000000, -0.0167608700000000 ] - [ -0.0127993200000000, -0.0059576900000000, 0.0061390400000000 ] - [ -0.0101184500000000, -0.0061836000000000, 0.0029183500000000 ] - [ 0.0040419400000000, -0.0009853300000000, 0.0057043300000000 ] - [ 0.0018577100000000, -0.0004442400000000, 0.0030052900000000 ] - [ 0.0283886700000000, 0.0032567800000000, -0.0027822600000000 ] - [ -0.0075698200000000, 0.0001925300000000, 0.0004407200000000 ] - [ -0.0017699600000000, -0.0005113300000000, 0.0069259800000000 ] - [ -0.0004611500000000, -0.0006398100000000, -0.0064689400000000 ] - [ -0.0137066700000000, 0.0058115200000000, -0.0116287100000000 ] - [ -0.0138426900000000, -0.0015352600000000, 0.0139631800000000 ] - [ -0.0031876600000000, 0.0004778800000000, -0.0004387900000000 ] - [ 0.0089312300000000, 0.0034133700000000, -0.0035494200000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007648800000000, 0.0003514500000000, 0.0006779700000000 ] - [ -0.0009192100000000, 0.0000856300000000, 0.0003165100000000 ] - [ 0.0000296200000000, 0.0001378400000000, -0.0000361900000000 ] - [ 0.0001126700000000, 0.0001333900000000, -0.0003474300000000 ] - [ 0.0049430900000000, 0.0213963600000000, 0.0100932000000000 ] - [ 0.0000151700000000, 0.0000732000000000, 0.0000698300000000 ] - [ -0.0000699900000000, -0.0001104600000000, 0.0001161600000000 ] - [ 0.0040145000000000, -0.0020334300000000, -0.0140491900000000 ] - [ 0.0014042500000000, -0.0004495400000000, -0.0004806900000000 ] - [ -0.0091063900000000, -0.0120698800000000, 0.0003613300000000 ] - [ 0.0009776700000000, 0.0002927700000000, -0.0010288100000000 ] - [ 0.0009284900000000, -0.0002475300000000, -0.0019382200000000 ] - [ -0.0100538100000000, -0.0111637300000000, 0.0028705100000000 ] - [ 0.0003365900000000, 0.0008872500000000, 0.0002223600000000 ] - [ -0.0004563600000000, -0.0006275400000000, 0.0001490500000000 ] - [ -0.0010805500000000, 0.0010608800000000, 0.0016265700000000 ] - [ -0.0034987300000000, -0.0218776200000000, 0.0146201300000000 ] - [ 0.0004795700000000, -0.0007715600000000, -0.0005874500000000 ] - [ 0.0000495900000000, 0.0006924000000000, -0.0009348600000000 ] - [ -0.0118274700000000, 0.0044375000000000, -0.0083791200000000 ] - [ -0.0013015100000000, -0.0017274000000000, -0.0008628800000000 ] - [ 0.0010757600000000, -0.0000657500000000, 0.0013847000000000 ] - [ -0.0010806500000000, 0.0022714800000000, -0.0051731800000000 ] - [ -0.0000485000000000, 0.0001380000000000, 0.0003713300000000 ] - [ 0.0002168400000000, -0.0004116300000000, 0.0001933700000000 ] - [ 0.0185173600000000, -0.0137182500000000, -0.0024468800000000 ] - [ -0.0014177500000000, -0.0000758200000000, -0.0000912500000000 ] - [ -0.0002863300000000, 0.0000172800000000, 0.0000537000000000 ] - [ 0.0018613800000000, -0.0028819100000000, -0.0009314100000000 ] - [ 0.0009060500000000, -0.0006047700000000, -0.0001293200000000 ] - [ 0.0003805100000000, 0.0005595300000000, -0.0002670700000000 ] - [ 0.0021999300000000, 0.0021848900000000, 0.0003400700000000 ] - [ 0.0180036400000000, -0.0157360500000000, -0.0010854800000000 ] - [ 0.0008460200000000, -0.0016106100000000, -0.0005171300000000 ] - [ 0.0003084600000000, 0.0001967700000000, -0.0004427500000000 ] - [ 0.0000528800000000, -0.0003665300000000, -0.0002121700000000 ] - [ 0.0005129500000000, -0.0094888200000000, -0.0071171900000000 ] - [ 0.0002879100000000, -0.0000603300000000, -0.0001135800000000 ] - [ -0.0021734100000000, 0.0013615400000000, 0.0012681200000000 ] - [ -0.0008814200000000, 0.0014562300000000, 0.0002014200000000 ] - [ -0.0012523300000000, -0.0019937200000000, -0.0020939500000000 ] - [ 0.0000912200000000, -0.0000052400000000, -0.0000841700000000 ] - [ 0.0033042000000000, 0.0015015300000000, -0.0016870400000000 ] - [ -0.0008342500000000, 0.0000737800000000, -0.0005630600000000 ] - [ 0.0001799100000000, -0.0000585900000000, 0.0001228600000000 ] - [ 0.0007735300000000, -0.0006295200000000, -0.0001852800000000 ] - [ -0.0003236300000000, -0.0023160900000000, -0.0027398300000000 ] - [ -0.0004716000000000, 0.0001880200000000, 0.0002153600000000 ] - [ -0.0053420400000000, 0.0152153500000000, 0.0080235900000000 ] - [ -0.0001815400000000, 0.0002988000000000, -0.0006831000000000 ] - [ 0.0001715900000000, 0.0000932800000000, 0.0002732000000000 ] - [ -0.0004939600000000, -0.0008688800000000, 0.0021999000000000 ] - [ 0.0010743500000000, 0.0004728400000000, 0.0000384400000000 ] - [ -0.0108247200000000, 0.0017466200000000, 0.0122706300000000 ] - [ -0.0013545500000000, -0.0005066300000000, 0.0003555100000000 ] - [ -0.0000745800000000, -0.0000633800000000, -0.0007130200000000 ] - [ -0.0090770900000000, 0.0327320400000000, -0.0218055700000000 ] - [ 0.0001747300000000, -0.0003156200000000, -0.0004289300000000 ] - [ -0.0003583500000000, -0.0006587800000000, 0.0001534500000000 ] - [ -0.0000370200000000, -0.0047155900000000, -0.0062292500000000 ] - [ 0.0008565400000000, -0.0002834100000000, 0.0007357100000000 ] - [ 0.0003106700000000, -0.0010742900000000, 0.0008043600000000 ] - [ 0.0004195700000000, 0.0009125100000000, -0.0004176300000000 ] - [ -0.0000837000000000, 0.0007788900000000, -0.0008568200000000 ] - [ 0.0250364400000000, 0.0182770500000000, 0.0047467200000000 ] - [ -0.0001865500000000, 0.0000387900000000, -0.0002642300000000 ] - [ 0.0004070700000000, -0.0003868200000000, 0.0002247800000000 ] - [ 0.0016883100000000, -0.0023294400000000, 0.0009973500000000 ] - [ 0.0002203400000000, 0.0005840300000000, 0.0002145000000000 ] - [ -0.0005101000000000, 0.0006968500000000, -0.0008387400000000 ] - [ -0.0004562100000000, 0.0004301800000000, -0.0006516300000000 ] - [ 0.0007070500000000, 0.0002070900000000, 0.0004300000000000 ] - [ 0.0001334500000000, 0.0003561300000000, 0.0001483200000000 ] - [ 0.0112047000000000, 0.0241504900000000, 0.0089141300000000 ] - [ -0.0026026400000000, -0.0022488800000000, 0.0021313600000000 ] - [ 0.0004914400000000, 0.0003678500000000, -0.0002679600000000 ] - [ 0.0056622400000000, 0.0018915500000000, -0.0016941600000000 ] - [ 0.0008502400000000, 0.0010672800000000, -0.0001393300000000 ] - [ -0.0007065700000000, -0.0005107400000000, 0.0003262200000000 ] - [ -0.0001851900000000, -0.0004446500000000, 0.0004979300000000 ] - [ -0.0012608100000000, 0.0118465200000000, 0.0034512300000000 ] - [ 0.0001151500000000, 0.0001493600000000, -0.0000506400000000 ] - [ -0.0002846800000000, 0.0000466400000000, -0.0002860100000000 ] - [ -0.0018760400000000, -0.0195071300000000, 0.0078827200000000 ] - [ -0.0006886600000000, 0.0011405000000000, 0.0007269400000000 ] - [ -0.0003737200000000, 0.0003584600000000, 0.0008698800000000 ] - [ 0.0004525500000000, -0.0005686400000000, 0.0000403100000000 ] - [ 0.0000761700000000, -0.0007725800000000, 0.0005312500000000 ] - [ -0.0082122500000000, 0.0437235900000000, 0.0009515600000000 ] - [ -0.0000383600000000, -0.0008744700000000, -0.0000661300000000 ] - [ 0.0000004400000000, -0.0008635600000000, -0.0002492600000000 ] - [ 0.0013374000000000, -0.0016905400000000, 0.0041085300000000 ] - [ -0.0089408700000000, 0.0049324500000000, -0.0068856200000000 ] - [ 0.0001445100000000, 0.0017653900000000, 0.0000290400000000 ] - [ -0.0001070000000000, 0.0004519400000000, -0.0001607600000000 ] - [ -0.0002123200000000, -0.0000483700000000, -0.0001889500000000 ] - [ -0.0012131300000000, -0.0166713000000000, -0.0155606000000000 ] - [ 0.0001285100000000, -0.0001538700000000, 0.0003734300000000 ] - [ -0.0006913300000000, 0.0000670700000000, -0.0014575800000000 ] - [ -0.0007044800000000, 0.0003591400000000, -0.0039612500000000 ] - [ 0.0003512700000000, -0.0010902300000000, -0.0000572800000000 ] - [ 0.0003184300000000, -0.0014254600000000, -0.0010883100000000 ] - [ 0.0186627600000000, 0.0061018700000000, 0.0141834500000000 ] - [ -0.0004597700000000, -0.0001011000000000, 0.0005784400000000 ] - [ -0.0005284500000000, 0.0002858000000000, 0.0006884100000000 ] - [ -0.0033072600000000, -0.0027137400000000, -0.0037039700000000 ] - [ -0.0504623300000000, 0.0438814400000000, -0.0425080300000000 ] - [ 0.0008654700000000, 0.0011774500000000, 0.0006409400000000 ] - [ 0.0304524100000000, 0.0248779500000000, 0.0234024600000000 ] - [ -0.0010950000000000, -0.0015296800000000, 0.0004864800000000 ] - [ 0.0053270800000000, 0.0010623300000000, -0.0013020600000000 ] - [ -0.0006046000000000, -0.0013543700000000, -0.0008004300000000 ] - [ -0.0013257400000000, -0.0009067400000000, 0.0012975700000000 ] - [ 0.0482656400000000, 0.0090440700000000, -0.0019663000000000 ] - [ 0.0007976000000000, 0.0010901500000000, 0.0006572700000000 ] - [ -0.0002708700000000, 0.0007002100000000, -0.0005721000000000 ] - [ -0.0071540700000000, -0.0018036600000000, 0.0179751400000000 ] - [ -0.0000041600000000, -0.0002224400000000, -0.0003827900000000 ] - [ 0.0016438200000000, -0.0015553300000000, -0.0001172500000000 ] - [ -0.0000273300000000, -0.0008824200000000, -0.0005397700000000 ] - [ -0.0011772700000000, 0.0023185500000000, 0.0011366800000000 ] - [ -0.0010795700000000, 0.0016835500000000, 0.0000697000000000 ] - [ -0.0052357100000000, 0.0008675500000000, 0.0136204200000000 ] - [ 0.0011384300000000, -0.0000627900000000, 0.0012542300000000 ] - [ 0.0003115800000000, -0.0002683400000000, -0.0005050100000000 ] - [ -0.0287390500000000, 0.0727453300000000, 0.0084923500000000 ] - [ -0.0000320800000000, -0.0000299200000000, 0.0009228200000000 ] - [ -0.0004746700000000, 0.0018483100000000, 0.0010661800000000 ] - [ -0.0136231300000000, -0.2396642800000000, -0.0157174400000000 ] - [ -0.0000348700000000, 0.0000735200000000, 0.0004352000000000 ] - [ -0.0017266800000000, -0.0038350500000000, 0.0001181500000000 ] - [ 0.0010736400000000, -0.0041388500000000, 0.0061788800000000 ] - [ -0.0030939400000000, 0.0133208100000000, 0.0007424500000000 ] - [ -0.0057415600000000, 0.0124933200000000, 0.0000113600000000 ] - [ 0.0014856800000000, -0.0008690200000000, 0.0027546000000000 ] - [ 0.0010630400000000, -0.0006923900000000, 0.0019312900000000 ] - [ 0.0066506500000000, 0.0226432900000000, 0.0093701200000000 ] - [ -0.0006368900000000, 0.0006847200000000, -0.0005406200000000 ] - [ 0.0000715000000000, -0.0001516800000000, 0.0000993500000000 ] - [ -0.0000722700000000, 0.0005020800000000, 0.0002208800000000 ] - [ -0.0063848000000000, -0.0117003200000000, -0.0029518200000000 ] - [ 0.0009956100000000, -0.0039018000000000, -0.0082804300000000 ] - [ -0.0001042700000000, 0.0008112100000000, 0.0000931400000000 ] - [ 0.0028459800000000, 0.0126895700000000, -0.0067371600000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009882800000000, -0.0003323900000000, -0.0006993200000000 ] - [ 0.0007111500000000, -0.0000732300000000, -0.0003339500000000 ] - [ 0.0001922500000000, -0.0001126400000000, 0.0000539000000000 ] - [ 0.0001051400000000, -0.0001094700000000, 0.0003656400000000 ] - [ -0.0047970100000000, -0.0216669800000000, -0.0102177300000000 ] - [ 0.0002032500000000, -0.0000960700000000, -0.0000539200000000 ] - [ -0.0001514800000000, 0.0000869200000000, -0.0001354100000000 ] - [ -0.0042074100000000, 0.0019633600000000, 0.0139451900000000 ] - [ -0.0002050700000000, 0.0004952400000000, 0.0001327300000000 ] - [ 0.0103601200000000, 0.0121228800000000, -0.0007176200000000 ] - [ 0.0002241600000000, 0.0006693200000000, -0.0003114600000000 ] - [ 0.0002776500000000, 0.0012077100000000, 0.0006001900000000 ] - [ 0.0089149400000000, 0.0122287100000000, -0.0015463200000000 ] - [ -0.0015277700000000, 0.0000898600000000, 0.0011089400000000 ] - [ -0.0007532900000000, -0.0003253600000000, 0.0012077400000000 ] - [ -0.0001258300000000, -0.0020168900000000, -0.0002778100000000 ] - [ 0.0046860600000000, 0.0209818000000000, -0.0160180400000000 ] - [ 0.0007238400000000, -0.0001941600000000, -0.0007569400000000 ] - [ -0.0001703500000000, -0.0007054900000000, -0.0000644400000000 ] - [ 0.0117127100000000, -0.0044451700000000, 0.0073827600000000 ] - [ 0.0014180600000000, 0.0017267900000000, 0.0018663700000000 ] - [ -0.0009379300000000, 0.0000642800000000, -0.0003686500000000 ] - [ 0.0012339500000000, -0.0022905400000000, 0.0063481400000000 ] - [ 0.0001751600000000, -0.0001316000000000, 0.0006347400000000 ] - [ -0.0012253900000000, 0.0010550500000000, 0.0001965000000000 ] - [ -0.0194724600000000, 0.0143306000000000, 0.0028493300000000 ] - [ 0.0004339400000000, -0.0005612900000000, 0.0004836700000000 ] - [ -0.0007294400000000, -0.0006590200000000, 0.0003347800000000 ] - [ -0.0008471900000000, 0.0022487900000000, 0.0005230900000000 ] - [ 0.0001001400000000, -0.0000353600000000, -0.0002589700000000 ] - [ -0.0003519400000000, -0.0003693800000000, 0.0003860200000000 ] - [ -0.0021646700000000, -0.0019911000000000, -0.0002189300000000 ] - [ -0.0181046800000000, 0.0159861300000000, 0.0009664600000000 ] - [ -0.0008615500000000, 0.0017914200000000, 0.0003928200000000 ] - [ -0.0003493100000000, -0.0003969400000000, 0.0003365000000000 ] - [ -0.0000889100000000, 0.0001712700000000, 0.0001018200000000 ] - [ -0.0005281100000000, 0.0093905000000000, 0.0072772100000000 ] - [ -0.0002571000000000, -0.0001261300000000, 0.0002266200000000 ] - [ 0.0009637000000000, -0.0012959800000000, -0.0009193100000000 ] - [ -0.0003182400000000, -0.0014089800000000, 0.0001526500000000 ] - [ 0.0011258200000000, 0.0020039200000000, 0.0010780300000000 ] - [ -0.0002183400000000, 0.0000123500000000, -0.0009169700000000 ] - [ -0.0022686400000000, -0.0008892800000000, 0.0012764900000000 ] - [ 0.0018528600000000, 0.0005686000000000, 0.0001777100000000 ] - [ 0.0010348900000000, -0.0000048500000000, -0.0004762100000000 ] - [ 0.0004282000000000, 0.0005796400000000, -0.0001638900000000 ] - [ -0.0008613900000000, 0.0024054500000000, 0.0031352300000000 ] - [ -0.0007314800000000, -0.0002325700000000, 0.0001359800000000 ] - [ 0.0049834900000000, -0.0149790000000000, -0.0096219400000000 ] - [ -0.0002179900000000, 0.0001220500000000, -0.0007525200000000 ] - [ 0.0002311300000000, 0.0003252200000000, 0.0011644400000000 ] - [ 0.0008841500000000, 0.0012859800000000, -0.0007400600000000 ] - [ -0.0006771200000000, -0.0009001600000000, 0.0014031500000000 ] - [ 0.0112583200000000, -0.0021902700000000, -0.0108940400000000 ] - [ 0.0009418000000000, 0.0000874800000000, -0.0017816600000000 ] - [ -0.0003241800000000, -0.0003574400000000, -0.0007178700000000 ] - [ 0.0079894100000000, -0.0302733500000000, 0.0194871400000000 ] - [ 0.0000278800000000, -0.0004185700000000, -0.0002467400000000 ] - [ 0.0001585600000000, -0.0000762200000000, 0.0005277700000000 ] - [ -0.0001953200000000, 0.0039042400000000, 0.0069596300000000 ] - [ -0.0010630300000000, 0.0010155100000000, -0.0000588500000000 ] - [ -0.0005108500000000, 0.0017947700000000, -0.0001326500000000 ] - [ -0.0002215700000000, -0.0001749400000000, -0.0002573300000000 ] - [ 0.0002925700000000, -0.0000389800000000, 0.0001837700000000 ] - [ -0.0249272400000000, -0.0189133900000000, -0.0052551100000000 ] - [ -0.0006598900000000, -0.0007973900000000, -0.0005988700000000 ] - [ 0.0004433900000000, -0.0003800200000000, 0.0006417400000000 ] - [ -0.0008312600000000, 0.0015595000000000, -0.0001228300000000 ] - [ -0.0000725400000000, -0.0002942600000000, 0.0005529100000000 ] - [ 0.0006695100000000, -0.0004108100000000, 0.0016188500000000 ] - [ -0.0003984600000000, 0.0003378200000000, -0.0002097200000000 ] - [ -0.0015457600000000, 0.0005533500000000, -0.0012843900000000 ] - [ -0.0007951700000000, -0.0000550300000000, 0.0004115400000000 ] - [ -0.0128550400000000, -0.0245192300000000, -0.0087466900000000 ] - [ 0.0032337000000000, 0.0025546800000000, -0.0026706900000000 ] - [ 0.0001833000000000, -0.0000674200000000, -0.0002861400000000 ] - [ -0.0050985000000000, -0.0022004000000000, 0.0011751300000000 ] - [ -0.0001836600000000, -0.0013743700000000, -0.0004170700000000 ] - [ 0.0000510300000000, 0.0002049700000000, 0.0002310300000000 ] - [ -0.0004882500000000, 0.0001438700000000, 0.0000611700000000 ] - [ 0.0017583100000000, -0.0115381100000000, -0.0028887900000000 ] - [ 0.0005250500000000, 0.0000229200000000, 0.0002420900000000 ] - [ -0.0003531900000000, 0.0001242300000000, 0.0001035100000000 ] - [ 0.0012563800000000, 0.0197234300000000, -0.0080225400000000 ] - [ 0.0000559400000000, -0.0013200000000000, -0.0009160500000000 ] - [ -0.0002728800000000, -0.0005316400000000, -0.0010524600000000 ] - [ 0.0001878400000000, 0.0004051100000000, 0.0001364400000000 ] - [ 0.0005639700000000, 0.0006042300000000, -0.0003449100000000 ] - [ 0.0097937600000000, -0.0487499900000000, -0.0001925700000000 ] - [ -0.0001480600000000, -0.0005554100000000, 0.0000421800000000 ] - [ 0.0001927200000000, -0.0005555300000000, 0.0002783300000000 ] - [ -0.0011380100000000, 0.0002730500000000, -0.0040605000000000 ] - [ 0.0091973900000000, -0.0035230800000000, 0.0069717300000000 ] - [ 0.0000322300000000, -0.0003303200000000, -0.0000156000000000 ] - [ -0.0000871400000000, 0.0009694900000000, 0.0001363200000000 ] - [ 0.0000283900000000, 0.0014763500000000, 0.0001702400000000 ] - [ 0.0013885000000000, 0.0163096100000000, 0.0162543800000000 ] - [ 0.0000229800000000, -0.0001337900000000, 0.0003991900000000 ] - [ 0.0005514600000000, -0.0003597400000000, 0.0007131000000000 ] - [ 0.0005516200000000, -0.0006658000000000, 0.0031660100000000 ] - [ -0.0005034100000000, 0.0013859500000000, -0.0007093800000000 ] - [ -0.0004653800000000, 0.0017109200000000, 0.0002980900000000 ] - [ -0.0179530900000000, -0.0053848400000000, -0.0134213200000000 ] - [ 0.0012961100000000, 0.0008531200000000, 0.0002729900000000 ] - [ -0.0001897300000000, 0.0001716900000000, -0.0010463900000000 ] - [ 0.0025688900000000, 0.0031698700000000, 0.0033395500000000 ] - [ 0.0516696800000000, -0.0438338400000000, 0.0431981100000000 ] - [ -0.0001459400000000, -0.0006916800000000, -0.0002843700000000 ] - [ -0.0312779300000000, -0.0255799100000000, -0.0238926100000000 ] - [ 0.0003701900000000, 0.0010412300000000, -0.0008146700000000 ] - [ -0.0050603600000000, -0.0009460600000000, 0.0006277300000000 ] - [ 0.0008112100000000, 0.0014915600000000, 0.0001199600000000 ] - [ 0.0011020900000000, 0.0010626100000000, -0.0006405800000000 ] - [ -0.0487730200000000, -0.0088590500000000, 0.0026424000000000 ] - [ -0.0010301500000000, -0.0012188400000000, 0.0000132300000000 ] - [ 0.0000594900000000, -0.0008373900000000, 0.0012233700000000 ] - [ 0.0075655700000000, 0.0014695000000000, -0.0190929500000000 ] - [ 0.0002237500000000, 0.0000766800000000, -0.0002865100000000 ] - [ -0.0009689300000000, 0.0017461800000000, -0.0012249600000000 ] - [ 0.0007423300000000, 0.0010660100000000, -0.0007981200000000 ] - [ 0.0004625500000000, -0.0021236700000000, 0.0002325300000000 ] - [ 0.0003797400000000, -0.0015014000000000, 0.0012662300000000 ] - [ 0.0045299700000000, -0.0008787500000000, -0.0121838800000000 ] - [ -0.0018555600000000, -0.0001215100000000, 0.0000662600000000 ] - [ 0.0003884600000000, 0.0000812900000000, -0.0008350100000000 ] - [ 0.0291862400000000, -0.0725525800000000, -0.0099679300000000 ] - [ 0.0007668600000000, -0.0004299400000000, -0.0005873700000000 ] - [ 0.0011922800000000, -0.0023088800000000, -0.0007389300000000 ] - [ 0.0135130100000000, 0.2420184100000000, 0.0176695500000000 ] - [ 0.0002687700000000, 0.0008420000000000, 0.0005716300000000 ] - [ 0.0012256800000000, 0.0030638200000000, -0.0006635300000000 ] - [ -0.0015832400000000, 0.0033764000000000, -0.0067459300000000 ] - [ 0.0036208000000000, -0.0141598200000000, -0.0001979800000000 ] - [ 0.0061647500000000, -0.0132648800000000, 0.0005567800000000 ] - [ -0.0010271700000000, 0.0016569800000000, -0.0022856400000000 ] - [ -0.0005576100000000, 0.0014610700000000, -0.0013811900000000 ] - [ -0.0071510100000000, -0.0220020300000000, -0.0097503200000000 ] - [ 0.0001438000000000, 0.0000772600000000, -0.0000090200000000 ] - [ 0.0001810900000000, -0.0007692200000000, 0.0009094700000000 ] - [ 0.0002974400000000, -0.0014220800000000, 0.0007799900000000 ] - [ 0.0061836200000000, 0.0108707300000000, 0.0019517100000000 ] - [ -0.0011818200000000, 0.0030346400000000, 0.0073131500000000 ] - [ -0.0001439000000000, 0.0001050100000000, -0.0011129700000000 ] - [ -0.0030705400000000, -0.0117695100000000, 0.0056542400000000 ]- atom: 129 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ 0.0000966600000000, -0.0001963000000000, -0.0006084600000000 ] - [ -0.0034706300000000, 0.0022671200000000, 0.0017440700000000 ] - [ -0.0012957000000000, -0.0003556800000000, 0.0018780800000000 ] - [ 0.0011261700000000, -0.0000596300000000, -0.0000775900000000 ] - [ 0.0067264900000000, 0.0030747300000000, -0.0057060200000000 ] - [ -0.0007078300000000, 0.0000186000000000, 0.0001560100000000 ] - [ -0.0004233000000000, 0.0001151600000000, 0.0003584300000000 ] - [ 0.0034863500000000, -0.0140399200000000, 0.0085324100000000 ] - [ 0.0017507300000000, 0.0000177200000000, 0.0003859800000000 ] - [ 0.0030498800000000, 0.0044026800000000, 0.0013534900000000 ] - [ 0.0055830000000000, -0.0031221200000000, -0.0045864100000000 ] - [ -0.0025584000000000, 0.0025460700000000, 0.0011237500000000 ] - [ 0.0010995700000000, 0.0036864500000000, 0.0029252200000000 ] - [ 0.0008120500000000, 0.0004202800000000, 0.0009151200000000 ] - [ 0.0025193200000000, -0.0035449700000000, -0.0039377200000000 ] - [ -0.0030088700000000, 0.0008567400000000, -0.0001064400000000 ] - [ -0.0041248100000000, -0.0060223500000000, 0.0048891500000000 ] - [ 0.0028659800000000, 0.0014071200000000, -0.0019565200000000 ] - [ 0.0033425700000000, -0.0012639600000000, 0.0016628100000000 ] - [ 0.0042483000000000, -0.0021815600000000, 0.0065887800000000 ] - [ 0.0020476200000000, 0.0015322100000000, 0.0020394900000000 ] - [ 0.0006393900000000, 0.0007203100000000, 0.0024661900000000 ] - [ -0.0056229400000000, 0.0063703800000000, -0.0301018300000000 ] - [ -0.0011517100000000, 0.0013678700000000, -0.0033564000000000 ] - [ 0.0020790000000000, -0.0001334400000000, 0.0001250400000000 ] - [ -0.0059928700000000, 0.0020533500000000, 0.0034501900000000 ] - [ -0.0054964200000000, -0.0013882100000000, -0.0003289200000000 ] - [ 0.0038635900000000, 0.0008244500000000, -0.0027445400000000 ] - [ 0.0012205000000000, 0.0001185800000000, -0.0000697400000000 ] - [ 0.0013479200000000, -0.0006432900000000, -0.0002296800000000 ] - [ 0.0055688700000000, 0.0031739900000000, -0.0033546200000000 ] - [ -0.0046182300000000, -0.0017320800000000, 0.0011309000000000 ] - [ -0.0016716800000000, 0.0004569000000000, 0.0027402400000000 ] - [ 0.0014299000000000, 0.0003474300000000, 0.0000494800000000 ] - [ 0.0039491500000000, 0.0025626800000000, -0.0038272700000000 ] - [ -0.0029297900000000, -0.0011703700000000, -0.0003442200000000 ] - [ -0.0083341900000000, 0.0063240300000000, 0.0082537100000000 ] - [ 0.0029255000000000, -0.0017542600000000, -0.0010496800000000 ] - [ 0.0035271200000000, 0.0027977300000000, -0.0023854600000000 ] - [ -0.0010059400000000, 0.0001732000000000, 0.0008380500000000 ] - [ -0.0024151100000000, -0.0010737700000000, -0.0026465000000000 ] - [ -0.0003237200000000, -0.0011316300000000, -0.0033687300000000 ] - [ 0.0202156300000000, -0.0023697300000000, -0.0091938200000000 ] - [ -0.0002995000000000, 0.0001025000000000, -0.0002543200000000 ] - [ -0.0013411200000000, 0.0024813400000000, -0.0011443100000000 ] - [ 0.0019056800000000, -0.0021166900000000, -0.0025781500000000 ] - [ -0.0042790100000000, -0.0237176200000000, -0.0116021400000000 ] - [ -0.0000659700000000, 0.0010045200000000, -0.0005298400000000 ] - [ -0.0462037300000000, 0.0108459700000000, 0.0758663200000000 ] - [ 0.0008600600000000, 0.0001166800000000, -0.0027749400000000 ] - [ 0.0004492900000000, 0.0008663100000000, -0.0014129700000000 ] - [ 0.0014483500000000, -0.0000123100000000, -0.0035189900000000 ] - [ 0.0004376000000000, -0.0003014000000000, 0.0024592600000000 ] - [ 0.0053755100000000, 0.0024639600000000, 0.0025353800000000 ] - [ 0.0030411200000000, 0.0015825900000000, -0.0067442400000000 ] - [ -0.0012455000000000, -0.0004486400000000, 0.0008252100000000 ] - [ -0.0061116600000000, -0.0074380900000000, 0.0170035000000000 ] - [ 0.0011677000000000, -0.0009824100000000, -0.0005167000000000 ] - [ 0.0002987900000000, 0.0002526800000000, -0.0002963600000000 ] - [ -0.0037278600000000, -0.0223134000000000, -0.0053662800000000 ] - [ -0.0003035800000000, 0.0002636300000000, 0.0008528700000000 ] - [ 0.0011874300000000, 0.0026854100000000, -0.0010752000000000 ] - [ 0.0023401100000000, 0.0009318700000000, -0.0033330500000000 ] - [ -0.0015878800000000, -0.0008352700000000, -0.0000567800000000 ] - [ -0.0199840100000000, -0.0044291600000000, 0.0082073100000000 ] - [ 0.0024030100000000, 0.0003252400000000, 0.0007480700000000 ] - [ 0.0018458700000000, -0.0006068700000000, -0.0004557400000000 ] - [ -0.0037918900000000, 0.0010809900000000, -0.0013522600000000 ] - [ 0.0008188000000000, 0.0011435100000000, -0.0057516600000000 ] - [ -0.0015213000000000, 0.0002716500000000, 0.0001713500000000 ] - [ 0.0016148600000000, -0.0001404100000000, -0.0018206000000000 ] - [ -0.0038956600000000, 0.0017777900000000, -0.0020255100000000 ] - [ 0.0029424100000000, 0.0007536500000000, 0.0007980900000000 ] - [ -0.0151194300000000, -0.0059212900000000, 0.0074561300000000 ] - [ 0.0020925600000000, 0.0026553100000000, -0.0018239500000000 ] - [ 0.0004942700000000, 0.0002196700000000, -0.0001808000000000 ] - [ 0.0215572900000000, 0.0020638800000000, -0.0112168200000000 ] - [ 0.0003383300000000, 0.0000331200000000, -0.0003828900000000 ] - [ -0.0036865500000000, 0.0010087000000000, -0.0002911600000000 ] - [ 0.0026736900000000, -0.0010585100000000, -0.0010993600000000 ] - [ -0.0152323800000000, -0.0068762200000000, 0.0355028000000000 ] - [ 0.0008832700000000, -0.0003312400000000, -0.0012950900000000 ] - [ 0.0007119900000000, 0.0005220000000000, -0.0013082700000000 ] - [ -0.0036854000000000, -0.0011749200000000, 0.0059752100000000 ] - [ -0.0020426900000000, 0.0004721600000000, 0.0017827300000000 ] - [ 0.0039952800000000, -0.0017857100000000, -0.0073635600000000 ] - [ 0.0026646400000000, 0.0005040500000000, -0.0039047600000000 ] - [ -0.0001249200000000, -0.0003163800000000, 0.0008294900000000 ] - [ -0.0106468500000000, 0.0042908500000000, 0.0108211900000000 ] - [ 0.0018987800000000, -0.0013427300000000, 0.0007225400000000 ] - [ 0.0010999900000000, -0.0007976900000000, -0.0010363200000000 ] - [ -0.0038674400000000, -0.0012595800000000, -0.0021195700000000 ] - [ 0.0023761700000000, 0.0009108500000000, 0.0042247800000000 ] - [ 0.0048054200000000, -0.0020592800000000, 0.0012526400000000 ] - [ 0.0014005400000000, 0.0008819300000000, -0.0015855700000000 ] - [ -0.0024512000000000, -0.0002022200000000, -0.0007890900000000 ] - [ -0.0000588900000000, -0.0000155000000000, 0.0102416700000000 ] - [ 0.0009642800000000, -0.0000315000000000, 0.0003731200000000 ] - [ -0.0013670100000000, 0.0004552200000000, -0.0047497700000000 ] - [ -0.0028331500000000, -0.0036089700000000, -0.0242353200000000 ] - [ 0.0006755300000000, 0.0004701600000000, 0.0013415300000000 ] - [ 0.0011224500000000, 0.0008657300000000, 0.0009925500000000 ] - [ -0.0005354700000000, -0.0002110400000000, 0.0029918800000000 ] - [ 0.0058089900000000, 0.0032168800000000, 0.0021946500000000 ] - [ -0.0061616100000000, 0.0010404100000000, 0.0062376400000000 ] - [ 0.0074928800000000, -0.0002905400000000, 0.0017845700000000 ] - [ 0.0034617900000000, 0.0054693100000000, -0.0106368700000000 ] - [ -0.0047637100000000, -0.0022355000000000, -0.0006487700000000 ] - [ -0.0031184000000000, -0.0146063200000000, -0.0197546500000000 ] - [ -0.0064953700000000, 0.0018530000000000, -0.0013765600000000 ] - [ -0.0054477900000000, -0.0061056300000000, 0.0043261600000000 ] - [ 0.0002456900000000, -0.0003410100000000, -0.0024261200000000 ] - [ -0.0048815600000000, 0.0015418300000000, -0.0026317400000000 ] - [ -0.0167999300000000, -0.0078957500000000, -0.0112234500000000 ] - [ 0.0037623700000000, -0.0018004500000000, 0.0034820400000000 ] - [ -0.0032308400000000, 0.0022791000000000, 0.0060160400000000 ] - [ -0.0296188800000000, 0.0234496500000000, 0.0930323500000000 ] - [ 0.0002964500000000, -0.0017180700000000, 0.0025547100000000 ] - [ 0.0064704300000000, 0.0001137200000000, -0.0014676600000000 ] - [ -0.0057650700000000, 0.0012046900000000, 0.0090586200000000 ] - [ -0.0038639500000000, -0.0029083300000000, 0.0018062200000000 ] - [ -0.0008205300000000, 0.0001635300000000, -0.0007688500000000 ] - [ -0.0227575000000000, 0.0483393700000000, 0.0549083800000000 ] - [ 0.0000456300000000, -0.0005790000000000, 0.0034547300000000 ] - [ -0.0028982900000000, -0.0002562100000000, -0.0000304400000000 ] - [ 0.0078881300000000, -0.0044573600000000, -0.0164088900000000 ] - [ -0.0058393600000000, 0.0005481900000000, 0.0064160300000000 ] - [ 0.0069658200000000, -0.0013601800000000, 0.0003773200000000 ] - [ 0.1450786600000000, -0.0059291500000000, -0.2190042200000000 ] - [ -0.0048103700000000, 0.0004887100000000, 0.0009715000000000 ] - [ -0.0188795800000000, -0.0047731500000000, 0.0075399000000000 ] - [ 0.0039916700000000, 0.0009055400000000, -0.0065121300000000 ] - [ -0.0032559100000000, -0.0016136800000000, -0.0027077800000000 ] - [ -0.0015926300000000, -0.0032366900000000, -0.0031020300000000 ] - [ 0.0052115100000000, -0.0026750100000000, 0.0183357300000000 ] - [ 0.0036522600000000, -0.0016110800000000, 0.0156260100000000 ] - [ 0.0156648200000000, 0.0136983600000000, -0.0069775100000000 ] - [ -0.0035000700000000, 0.0003015500000000, 0.0028466300000000 ] - [ -0.0062309200000000, -0.0001530500000000, 0.0082813800000000 ] - [ 0.0054953100000000, -0.0003352600000000, 0.0008951500000000 ] - [ 0.0011690200000000, 0.0011472500000000, -0.0042283700000000 ] - [ -0.0198408300000000, -0.0074845100000000, 0.0039318600000000 ] - [ -0.0019341400000000, -0.0000244400000000, 0.0016351500000000 ] - [ 0.0075556800000000, 0.0072079000000000, 0.0025839800000000 ]- atom: 129 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0003230000000000, 0.0002164600000000, 0.0005812500000000 ] - [ 0.0032377500000000, -0.0022308100000000, -0.0017609000000000 ] - [ 0.0015147300000000, 0.0003762600000000, -0.0018614400000000 ] - [ -0.0009076600000000, 0.0000840600000000, 0.0000891500000000 ] - [ -0.0065062700000000, -0.0030462400000000, 0.0057882400000000 ] - [ 0.0009246300000000, -0.0000425000000000, -0.0001375300000000 ] - [ 0.0002060200000000, -0.0001381200000000, -0.0003741600000000 ] - [ -0.0037591200000000, 0.0141619800000000, -0.0086315300000000 ] - [ -0.0005358300000000, 0.0000456200000000, -0.0007483000000000 ] - [ -0.0018641000000000, -0.0043648800000000, -0.0016926200000000 ] - [ -0.0043923100000000, 0.0040942200000000, 0.0032469500000000 ] - [ 0.0037699600000000, -0.0015879000000000, -0.0024713200000000 ] - [ -0.0022269800000000, -0.0026434400000000, -0.0016014700000000 ] - [ -0.0020185100000000, 0.0005347800000000, 0.0004358000000000 ] - [ -0.0037283800000000, 0.0025814200000000, 0.0052731300000000 ] - [ 0.0018176900000000, -0.0018265100000000, 0.0014517700000000 ] - [ 0.0053129300000000, 0.0049608500000000, -0.0061463100000000 ] - [ -0.0016596300000000, -0.0023677000000000, 0.0006152600000000 ] - [ -0.0034859000000000, 0.0012694000000000, -0.0027005500000000 ] - [ -0.0044211200000000, 0.0021857600000000, -0.0076064000000000 ] - [ -0.0019367100000000, -0.0015580700000000, -0.0010764400000000 ] - [ -0.0005167700000000, -0.0007276200000000, -0.0014620500000000 ] - [ 0.0057367900000000, -0.0063621800000000, 0.0310137500000000 ] - [ 0.0012912100000000, -0.0013678500000000, 0.0043763900000000 ] - [ -0.0030653200000000, 0.0007686400000000, 0.0002583300000000 ] - [ 0.0049255800000000, -0.0013782500000000, -0.0030481500000000 ] - [ 0.0044674700000000, 0.0007432200000000, 0.0007187100000000 ] - [ -0.0048628300000000, -0.0014642000000000, 0.0031384800000000 ] - [ -0.0002511700000000, -0.0007431600000000, -0.0003096400000000 ] - [ -0.0003238700000000, -0.0000027100000000, -0.0001571600000000 ] - [ -0.0055499700000000, -0.0029928100000000, 0.0034721800000000 ] - [ 0.0046631900000000, 0.0019253600000000, -0.0010212700000000 ] - [ 0.0016831100000000, -0.0003007400000000, -0.0028766700000000 ] - [ -0.0014673900000000, -0.0001507900000000, -0.0001585900000000 ] - [ -0.0039867900000000, -0.0027488700000000, 0.0037082300000000 ] - [ 0.0029104200000000, 0.0009857200000000, 0.0002307500000000 ] - [ 0.0083113700000000, -0.0064127300000000, -0.0080417900000000 ] - [ -0.0028859900000000, 0.0015595500000000, 0.0011655100000000 ] - [ -0.0047593900000000, -0.0027841400000000, 0.0027451200000000 ] - [ -0.0002004800000000, -0.0001235000000000, -0.0004867800000000 ] - [ 0.0022887100000000, 0.0010887700000000, 0.0016700300000000 ] - [ 0.0002052500000000, 0.0011437500000000, 0.0023763300000000 ] - [ -0.0192728700000000, 0.0030230100000000, 0.0088632400000000 ] - [ 0.0012978300000000, 0.0005365100000000, -0.0001350100000000 ] - [ 0.0025352600000000, -0.0025120200000000, 0.0007961200000000 ] - [ -0.0006972800000000, 0.0020711800000000, 0.0022316600000000 ] - [ 0.0030577000000000, 0.0235966300000000, 0.0119188400000000 ] - [ -0.0011294600000000, -0.0010478500000000, 0.0008822800000000 ] - [ 0.0425667600000000, -0.0090760500000000, -0.0707966500000000 ] - [ -0.0012535300000000, 0.0003036100000000, 0.0013364900000000 ] - [ -0.0000528200000000, -0.0004440700000000, 0.0028591600000000 ] - [ -0.0010440400000000, 0.0004372900000000, 0.0049616700000000 ] - [ -0.0000188600000000, -0.0001238900000000, -0.0010519400000000 ] - [ -0.0049990300000000, -0.0028534100000000, -0.0010174600000000 ] - [ -0.0034453100000000, -0.0020118900000000, 0.0053089000000000 ] - [ 0.0008431700000000, 0.0000271600000000, -0.0022572500000000 ] - [ 0.0063784000000000, 0.0063814400000000, -0.0174638500000000 ] - [ -0.0009617200000000, 0.0002460300000000, -0.0001624400000000 ] - [ -0.0005030000000000, -0.0009869100000000, 0.0009724200000000 ] - [ 0.0035532300000000, 0.0217205000000000, 0.0060765700000000 ] - [ 0.0001139700000000, 0.0004549300000000, -0.0001668600000000 ] - [ -0.0013916100000000, -0.0019394200000000, 0.0017572400000000 ] - [ -0.0021356300000000, -0.0002044500000000, 0.0026537500000000 ] - [ 0.0017886400000000, 0.0015711200000000, -0.0006119400000000 ] - [ 0.0189304400000000, 0.0035774500000000, -0.0090858400000000 ] - [ -0.0032428600000000, -0.0010842500000000, -0.0016030700000000 ] - [ -0.0010103000000000, -0.0001471600000000, 0.0013105600000000 ] - [ 0.0046550700000000, -0.0018465000000000, 0.0022195200000000 ] - [ -0.0006716900000000, -0.0008590800000000, 0.0065283700000000 ] - [ 0.0016690000000000, 0.0000172700000000, 0.0006008600000000 ] - [ -0.0024647700000000, 0.0009006800000000, 0.0009558400000000 ] - [ 0.0030622700000000, -0.0010215400000000, 0.0011709100000000 ] - [ -0.0036004200000000, -0.0004474400000000, -0.0002470600000000 ] - [ 0.0147146300000000, 0.0063012700000000, -0.0070279700000000 ] - [ -0.0014295100000000, -0.0023740100000000, 0.0012640800000000 ] - [ 0.0001651500000000, 0.0000832100000000, -0.0003766600000000 ] - [ -0.0208573800000000, -0.0023782000000000, 0.0106182100000000 ] - [ 0.0003589100000000, -0.0003259700000000, -0.0001676500000000 ] - [ 0.0030218700000000, -0.0013082500000000, 0.0008542300000000 ] - [ -0.0033352800000000, 0.0007578700000000, 0.0016588600000000 ] - [ 0.0170896500000000, 0.0065173700000000, -0.0393483700000000 ] - [ -0.0002452000000000, 0.0005019800000000, 0.0014774800000000 ] - [ -0.0013465000000000, -0.0003488100000000, 0.0011177500000000 ] - [ 0.0030554400000000, 0.0013594100000000, -0.0062006600000000 ] - [ 0.0013989500000000, -0.0006380300000000, -0.0019455000000000 ] - [ -0.0046304400000000, 0.0016166200000000, 0.0071834500000000 ] - [ -0.0020299700000000, -0.0006840500000000, 0.0040982800000000 ] - [ 0.0007672900000000, 0.0001435800000000, -0.0006344700000000 ] - [ 0.0102935800000000, -0.0054290600000000, -0.0108735200000000 ] - [ -0.0020842600000000, -0.0000849800000000, -0.0007430100000000 ] - [ -0.0009198600000000, -0.0006366800000000, 0.0010539800000000 ] - [ 0.0040763800000000, -0.0001667800000000, 0.0021480600000000 ] - [ -0.0021244900000000, 0.0005071700000000, -0.0041598000000000 ] - [ -0.0045984700000000, 0.0034783800000000, -0.0012197200000000 ] - [ -0.0015933800000000, 0.0005463300000000, 0.0015611400000000 ] - [ 0.0022712400000000, 0.0016331700000000, 0.0007712600000000 ] - [ 0.0001928600000000, -0.0002645100000000, -0.0094315200000000 ] - [ -0.0008086800000000, -0.0002565300000000, 0.0003982900000000 ] - [ 0.0012093200000000, -0.0007410800000000, 0.0039727800000000 ] - [ 0.0026823700000000, 0.0033193800000000, 0.0234922200000000 ] - [ -0.0008127700000000, -0.0001786000000000, -0.0021010000000000 ] - [ -0.0012738400000000, -0.0005753800000000, -0.0017452400000000 ] - [ 0.0014561600000000, 0.0009805300000000, -0.0020733100000000 ] - [ -0.0049503400000000, -0.0024462400000000, -0.0013229200000000 ] - [ 0.0054496100000000, -0.0005580100000000, -0.0065742600000000 ] - [ -0.0082496300000000, 0.0007660800000000, -0.0021317100000000 ] - [ -0.0029472800000000, -0.0048217300000000, 0.0109170100000000 ] - [ 0.0054824900000000, 0.0026985500000000, 0.0009801600000000 ] - [ 0.0021314400000000, 0.0139162600000000, 0.0192581600000000 ] - [ 0.0057544000000000, -0.0023131800000000, 0.0010156600000000 ] - [ 0.0056891100000000, 0.0063039000000000, -0.0049713100000000 ] - [ -0.0000175800000000, 0.0004824400000000, 0.0017577600000000 ] - [ 0.0046535400000000, -0.0014187400000000, 0.0033452500000000 ] - [ 0.0167273800000000, 0.0080732600000000, 0.0117879400000000 ] - [ -0.0039825800000000, 0.0016379700000000, -0.0028373600000000 ] - [ 0.0030014200000000, -0.0024281800000000, -0.0053652800000000 ] - [ 0.0296017200000000, -0.0233589600000000, -0.0929189600000000 ] - [ -0.0001073800000000, 0.0015766100000000, -0.0032279700000000 ] - [ -0.0057469100000000, 0.0000666800000000, 0.0001112900000000 ] - [ 0.0064599800000000, -0.0010130500000000, -0.0104041400000000 ] - [ 0.0031843200000000, 0.0030906900000000, -0.0004906100000000 ] - [ 0.0000926400000000, 0.0000333800000000, 0.0020923700000000 ] - [ 0.0222085200000000, -0.0488488600000000, -0.0541344400000000 ] - [ -0.0007388000000000, 0.0003910300000000, -0.0021131000000000 ] - [ 0.0035822600000000, 0.0000686000000000, -0.0013017600000000 ] - [ -0.0071460000000000, 0.0041483400000000, 0.0150892900000000 ] - [ 0.0065785100000000, -0.0010336200000000, -0.0060693300000000 ] - [ -0.0062652200000000, 0.0008903600000000, -0.0000370300000000 ] - [ -0.1423644600000000, 0.0059005000000000, 0.2173400500000000 ] - [ 0.0050363400000000, 0.0004259100000000, 0.0000401700000000 ] - [ 0.0184719400000000, 0.0040225000000000, -0.0080844200000000 ] - [ -0.0044810300000000, -0.0016719000000000, 0.0059856900000000 ] - [ 0.0036885700000000, 0.0008277900000000, 0.0033123700000000 ] - [ 0.0021081000000000, 0.0024656900000000, 0.0036284200000000 ] - [ -0.0046660900000000, 0.0034182900000000, -0.0177356300000000 ] - [ -0.0031950500000000, 0.0023809000000000, -0.0151287000000000 ] - [ -0.0160076900000000, -0.0128720900000000, 0.0063572000000000 ] - [ 0.0029861400000000, 0.0004644600000000, -0.0034020100000000 ] - [ 0.0064722300000000, -0.0007537100000000, -0.0072733100000000 ] - [ -0.0052695600000000, -0.0005807000000000, 0.0000972100000000 ] - [ -0.0014846500000000, -0.0020467700000000, 0.0031804000000000 ] - [ 0.0195378700000000, 0.0065369900000000, -0.0049572700000000 ] - [ 0.0017112600000000, 0.0009402000000000, -0.0026407300000000 ] - [ -0.0078411700000000, -0.0063360200000000, -0.0035851900000000 ]- atom: 131 displacement: [ 0.0099999928411031, 0.0000000000000000, 0.0000119656962394 ] forces: - [ -0.0000040400000000, 0.0000501500000000, -0.0001643400000000 ] - [ -0.0010969900000000, -0.0003894000000000, 0.0004022800000000 ] - [ -0.0035047000000000, 0.0020847100000000, -0.0005454500000000 ] - [ 0.0013433400000000, -0.0001187200000000, 0.0002352400000000 ] - [ 0.0017480000000000, 0.0004786800000000, -0.0028207200000000 ] - [ 0.0011753600000000, -0.0005341500000000, 0.0015726200000000 ] - [ 0.0033830300000000, 0.0003471700000000, 0.0019833900000000 ] - [ 0.0043038000000000, -0.0027569100000000, -0.0008249800000000 ] - [ 0.0040909900000000, 0.0107880300000000, -0.0041470000000000 ] - [ -0.0013343800000000, -0.0012269800000000, 0.0001622500000000 ] - [ 0.0329513700000000, -0.0260263600000000, -0.0093003300000000 ] - [ -0.0031934100000000, 0.0027373900000000, 0.0005252100000000 ] - [ 0.0014023200000000, 0.0018155000000000, 0.0019194900000000 ] - [ -0.0017022400000000, -0.0001476500000000, 0.0004820400000000 ] - [ -0.0141426000000000, 0.0031492000000000, 0.0146298300000000 ] - [ -0.0044533200000000, 0.0020261300000000, 0.0004963200000000 ] - [ 0.0000845600000000, -0.0019230800000000, 0.0017879500000000 ] - [ 0.0003844100000000, 0.0001047100000000, -0.0021205300000000 ] - [ 0.0174658800000000, -0.0011681800000000, 0.0194668800000000 ] - [ -0.0022682000000000, 0.0005958900000000, -0.0018829700000000 ] - [ 0.0074892400000000, 0.0123838100000000, 0.0097437400000000 ] - [ -0.0025303500000000, -0.0008530700000000, -0.0013819800000000 ] - [ 0.0022806300000000, -0.0023953800000000, 0.0084858500000000 ] - [ -0.0032430200000000, 0.0024614200000000, -0.0064467900000000 ] - [ 0.0041019200000000, -0.0016516900000000, -0.0018674500000000 ] - [ -0.0043323900000000, 0.0013080100000000, 0.0013695500000000 ] - [ -0.0068222700000000, -0.0019804300000000, 0.0012113400000000 ] - [ -0.0023604200000000, 0.0004305000000000, -0.0049449500000000 ] - [ 0.0005382300000000, -0.0001488600000000, 0.0009708400000000 ] - [ 0.0000337000000000, -0.0002156400000000, -0.0008622200000000 ] - [ 0.0393670000000000, 0.0200938500000000, 0.0017736000000000 ] - [ -0.0044982800000000, -0.0016130200000000, 0.0010584800000000 ] - [ 0.0023339300000000, -0.0007499700000000, 0.0017629000000000 ] - [ -0.0015376700000000, 0.0007267300000000, -0.0003906400000000 ] - [ -0.0092179200000000, 0.0002910500000000, 0.0093258300000000 ] - [ -0.0043795200000000, -0.0018983400000000, -0.0004365300000000 ] - [ -0.0006587900000000, 0.0011558100000000, 0.0021466000000000 ] - [ -0.0001790400000000, -0.0004771200000000, -0.0011853600000000 ] - [ 0.0264612600000000, -0.0112704500000000, -0.0113914500000000 ] - [ -0.0033945400000000, 0.0016019500000000, 0.0002905000000000 ] - [ 0.0004285600000000, 0.0016487400000000, 0.0040791200000000 ] - [ -0.0009547200000000, -0.0018244500000000, -0.0050002200000000 ] - [ 0.0395576400000000, 0.0312915700000000, -0.0072037800000000 ] - [ -0.0060442300000000, -0.0012514600000000, -0.0003098800000000 ] - [ -0.0026845000000000, 0.0034324200000000, 0.0018477700000000 ] - [ 0.0014709900000000, -0.0032650300000000, -0.0028145000000000 ] - [ -0.0005579300000000, -0.0005897000000000, 0.0025761000000000 ] - [ -0.0010365500000000, 0.0003723600000000, -0.0014666900000000 ] - [ -0.0027980300000000, 0.0013307100000000, 0.0071987800000000 ] - [ 0.0006662300000000, -0.0005249400000000, -0.0062898400000000 ] - [ -0.0032791800000000, -0.0003599100000000, 0.0054634200000000 ] - [ 0.0013119500000000, -0.0002581500000000, -0.0044620600000000 ] - [ 0.0024457300000000, 0.0001510200000000, -0.0096887500000000 ] - [ -0.0009198500000000, -0.0001544200000000, 0.0015128500000000 ] - [ 0.0091602700000000, 0.0102577500000000, -0.0177713900000000 ] - [ -0.0027726200000000, -0.0005069900000000, 0.0009655600000000 ] - [ -0.0022116800000000, 0.0018976300000000, 0.0022859400000000 ] - [ -0.0005510200000000, -0.0011440400000000, -0.0038627800000000 ] - [ -0.0030629100000000, -0.0025639200000000, -0.0009552800000000 ] - [ -0.0133121200000000, -0.0127851000000000, 0.0014476800000000 ] - [ -0.0003750000000000, 0.0010251500000000, -0.0001635000000000 ] - [ 0.0008614000000000, -0.0009427100000000, 0.0011926800000000 ] - [ 0.0047100900000000, 0.0112712000000000, -0.0045958300000000 ] - [ -0.0018223800000000, -0.0012290600000000, -0.0003285000000000 ] - [ 0.0023765800000000, 0.0021076300000000, 0.0038243400000000 ] - [ -0.0036313400000000, -0.0022251000000000, -0.0029138600000000 ] - [ -0.0082250000000000, 0.0081084100000000, 0.0001836400000000 ] - [ -0.0050070900000000, 0.0015528700000000, -0.0023169200000000 ] - [ 0.0177738200000000, -0.0006191600000000, 0.0089225200000000 ] - [ -0.0023816500000000, 0.0003642100000000, -0.0013125200000000 ] - [ 0.0116488600000000, -0.0159795400000000, 0.0164039900000000 ] - [ -0.0050472200000000, 0.0024536100000000, -0.0025663600000000 ] - [ -0.0048633700000000, 0.0008912900000000, -0.0046060900000000 ] - [ -0.0048031900000000, -0.0009007200000000, 0.0015112500000000 ] - [ -0.0046635600000000, 0.0085520900000000, -0.0018343000000000 ] - [ -0.0065994800000000, 0.0019671300000000, -0.0012830400000000 ] - [ 0.0021239700000000, 0.0002358400000000, 0.0012754900000000 ] - [ -0.0009614900000000, -0.0005413000000000, -0.0017397800000000 ] - [ -0.0044758800000000, 0.0015674200000000, 0.0007708600000000 ] - [ 0.0056412000000000, -0.0024727100000000, -0.0006315400000000 ] - [ -0.0152548100000000, 0.0066385600000000, 0.0143668800000000 ] - [ -0.0020588200000000, 0.0001614900000000, -0.0024122500000000 ] - [ 0.0002475200000000, 0.0010515000000000, -0.0046288600000000 ] - [ -0.0029037100000000, -0.0017839500000000, 0.0039564100000000 ] - [ -0.0017653800000000, 0.0002544500000000, 0.0004720000000000 ] - [ 0.0020790200000000, -0.0031144700000000, -0.0103995800000000 ] - [ 0.0016882100000000, 0.0003206000000000, 0.0016934900000000 ] - [ -0.0001837300000000, 0.0000146200000000, -0.0000788900000000 ] - [ 0.0017287400000000, -0.0029613600000000, 0.0041739800000000 ] - [ -0.0028725800000000, 0.0011736900000000, -0.0024108600000000 ] - [ -0.0126497600000000, -0.0127751000000000, 0.0000236100000000 ] - [ -0.0042536100000000, -0.0027009400000000, -0.0017303400000000 ] - [ 0.0020783200000000, -0.0006562000000000, 0.0015968200000000 ] - [ -0.0008128600000000, 0.0013102500000000, -0.0013098700000000 ] - [ 0.0091097600000000, 0.0149362100000000, 0.0117660000000000 ] - [ -0.0037103500000000, -0.0011056400000000, -0.0016362200000000 ] - [ 0.0004731400000000, 0.0006084000000000, 0.0049639300000000 ] - [ -0.0008202600000000, -0.0008817900000000, -0.0045123200000000 ] - [ -0.0039303700000000, 0.0006191500000000, -0.0019814300000000 ] - [ -0.0168404900000000, 0.0022232300000000, -0.0162733500000000 ] - [ 0.0008414600000000, 0.0005877200000000, -0.0001580100000000 ] - [ -0.0000700600000000, 0.0001540700000000, 0.0006264500000000 ] - [ 0.0033615000000000, 0.0016908800000000, 0.0026334100000000 ] - [ -0.0012664200000000, -0.0004822600000000, -0.0011742400000000 ] - [ 0.0370259200000000, 0.0401198100000000, -0.0432726900000000 ] - [ 0.0084134400000000, -0.0009810200000000, 0.0009996100000000 ] - [ -0.0033012700000000, 0.0017726300000000, -0.0065715100000000 ] - [ 0.0036423100000000, -0.0007870300000000, 0.0036774700000000 ] - [ -0.0039057000000000, -0.0025057600000000, -0.0061576200000000 ] - [ 0.0022321800000000, 0.0012400100000000, 0.0029103700000000 ] - [ -0.0024835400000000, -0.0477804000000000, 0.0093478800000000 ] - [ 0.0081516900000000, -0.0003862300000000, -0.0003755800000000 ] - [ 0.0066276900000000, -0.0177939500000000, 0.0265068400000000 ] - [ 0.0057027800000000, 0.0004249800000000, -0.0001126100000000 ] - [ 0.0045440100000000, -0.0035395600000000, -0.0058991800000000 ] - [ -0.0039018700000000, 0.0043013500000000, 0.0081384100000000 ] - [ -0.0024962300000000, 0.0016157500000000, -0.0104450300000000 ] - [ 0.0027276700000000, -0.0017495100000000, 0.0073242900000000 ] - [ 0.0070808800000000, 0.0006307400000000, -0.0006435300000000 ] - [ 0.0022822100000000, -0.0089183100000000, 0.0299899900000000 ] - [ -0.0010475000000000, 0.0010452700000000, -0.0018619100000000 ] - [ 0.0002766600000000, -0.0005599700000000, 0.0014207900000000 ] - [ 0.0722555900000000, 0.0076461100000000, -0.0021638800000000 ] - [ 0.0087510800000000, 0.0003937600000000, 0.0032472500000000 ] - [ -0.0019079500000000, 0.0010908300000000, 0.0071309200000000 ] - [ 0.0047667000000000, -0.0008388200000000, -0.0068364400000000 ] - [ 0.0182799000000000, -0.0371659200000000, -0.0328899800000000 ] - [ 0.0089842100000000, -0.0010224900000000, 0.0014994800000000 ] - [ 0.0067096800000000, -0.0010139500000000, -0.0176245500000000 ] - [ 0.0064993400000000, 0.0017833200000000, 0.0101552900000000 ] - [ -0.2564926200000000, 0.0137736300000000, 0.0015779500000000 ] - [ 0.0098934200000000, -0.0002639800000000, 0.0000527700000000 ] - [ -0.0144201200000000, -0.0050888100000000, -0.0050449800000000 ] - [ 0.0051070700000000, -0.0003996700000000, 0.0002621900000000 ] - [ 0.0153502500000000, -0.0023852400000000, -0.0119563800000000 ] - [ 0.0108277600000000, -0.0000458600000000, 0.0176345900000000 ] - [ 0.0004711300000000, 0.0000359900000000, -0.0082827300000000 ] - [ 0.0015260900000000, 0.0007118100000000, 0.0065221500000000 ] - [ -0.0285535600000000, -0.0073712000000000, -0.0002501300000000 ] - [ 0.0074414700000000, -0.0000667200000000, 0.0016750400000000 ] - [ -0.0039212500000000, 0.0007984500000000, 0.0028544300000000 ] - [ -0.0017385600000000, 0.0003555400000000, 0.0025825400000000 ] - [ 0.0129217800000000, 0.0038180100000000, 0.0043913200000000 ] - [ 0.0102426300000000, 0.0063974100000000, 0.0044867600000000 ]- atom: 131 displacement: [ -0.0099999928411031, 0.0000000000000000, -0.0000119656962394 ] forces: - [ -0.0002146300000000, -0.0000272500000000, 0.0001446200000000 ] - [ 0.0008737800000000, 0.0004143200000000, -0.0004120000000000 ] - [ 0.0037272600000000, -0.0020533300000000, 0.0005689600000000 ] - [ -0.0011229300000000, 0.0001424800000000, -0.0002232500000000 ] - [ -0.0015339000000000, -0.0005064500000000, 0.0028467600000000 ] - [ -0.0009614600000000, 0.0005126500000000, -0.0015504600000000 ] - [ -0.0035923600000000, -0.0003643100000000, -0.0019940700000000 ] - [ -0.0045392100000000, 0.0027613800000000, 0.0008124000000000 ] - [ -0.0028753300000000, -0.0108242600000000, 0.0038224500000000 ] - [ 0.0025436800000000, 0.0012779400000000, -0.0005169700000000 ] - [ -0.0310821900000000, 0.0256115600000000, 0.0073252300000000 ] - [ 0.0044014400000000, -0.0017748300000000, -0.0018676700000000 ] - [ -0.0026219100000000, -0.0008643000000000, -0.0005679400000000 ] - [ 0.0005009300000000, 0.0011142200000000, 0.0008569500000000 ] - [ 0.0129041700000000, -0.0041197700000000, -0.0132510300000000 ] - [ 0.0032546700000000, -0.0029930900000000, 0.0008541700000000 ] - [ 0.0011127100000000, 0.0009596000000000, -0.0031308900000000 ] - [ 0.0008193500000000, -0.0010686300000000, 0.0007769600000000 ] - [ -0.0177226500000000, 0.0011012500000000, -0.0201327200000000 ] - [ 0.0021453500000000, -0.0006032700000000, 0.0008753100000000 ] - [ -0.0073594800000000, -0.0123581500000000, -0.0087217100000000 ] - [ 0.0026550000000000, 0.0008437100000000, 0.0023828000000000 ] - [ -0.0021520200000000, 0.0024019000000000, -0.0074749500000000 ] - [ 0.0033738000000000, -0.0024606000000000, 0.0074672900000000 ] - [ -0.0050918600000000, 0.0022833200000000, 0.0022518400000000 ] - [ 0.0033348900000000, -0.0006702800000000, -0.0009847100000000 ] - [ 0.0058076000000000, 0.0013393400000000, -0.0008197700000000 ] - [ 0.0012937900000000, -0.0010822700000000, 0.0053297700000000 ] - [ 0.0004766200000000, -0.0004932800000000, -0.0013617900000000 ] - [ 0.0009760600000000, -0.0004271400000000, 0.0004768600000000 ] - [ -0.0370599200000000, -0.0178349700000000, -0.0023179400000000 ] - [ 0.0045357300000000, 0.0018032300000000, -0.0009426400000000 ] - [ -0.0023875000000000, 0.0009494200000000, -0.0018756200000000 ] - [ 0.0015086500000000, -0.0005398200000000, 0.0002719000000000 ] - [ 0.0092079300000000, -0.0004616000000000, -0.0094445900000000 ] - [ 0.0043516400000000, 0.0017090000000000, 0.0003283100000000 ] - [ 0.0006841400000000, -0.0013466000000000, -0.0020303900000000 ] - [ 0.0002118400000000, 0.0002866400000000, 0.0012982900000000 ] - [ -0.0281200400000000, 0.0122599600000000, 0.0120787100000000 ] - [ 0.0021904300000000, -0.0015567500000000, 0.0000606500000000 ] - [ -0.0005537500000000, -0.0016404000000000, -0.0050811400000000 ] - [ 0.0008268200000000, 0.0018353500000000, 0.0040013800000000 ] - [ -0.0413938100000000, -0.0330111800000000, 0.0073685000000000 ] - [ 0.0070479400000000, 0.0018936900000000, -0.0000800500000000 ] - [ 0.0038887400000000, -0.0034749700000000, -0.0021983100000000 ] - [ -0.0002735300000000, 0.0032277500000000, 0.0024734900000000 ] - [ -0.0006456100000000, 0.0005383300000000, -0.0022240200000000 ] - [ -0.0001667600000000, -0.0004209300000000, 0.0018203000000000 ] - [ 0.0024050800000000, -0.0009125100000000, -0.0086494900000000 ] - [ -0.0010633400000000, 0.0009476000000000, 0.0048567600000000 ] - [ 0.0036809300000000, 0.0007821100000000, -0.0040297400000000 ] - [ -0.0009173300000000, 0.0006841800000000, 0.0059138200000000 ] - [ -0.0020436400000000, -0.0005759500000000, 0.0112067300000000 ] - [ 0.0013302500000000, -0.0002700500000000, -0.0000941100000000 ] - [ -0.0095691900000000, -0.0106772200000000, 0.0163365900000000 ] - [ 0.0023710700000000, 0.0000843400000000, -0.0023991700000000 ] - [ 0.0024200000000000, -0.0026405300000000, -0.0029726100000000 ] - [ 0.0007529100000000, 0.0004054300000000, 0.0031720800000000 ] - [ 0.0028626400000000, 0.0018395600000000, 0.0016297500000000 ] - [ 0.0131026900000000, 0.0120758400000000, -0.0007680700000000 ] - [ 0.0001738500000000, -0.0002973700000000, 0.0008490100000000 ] - [ -0.0010595500000000, 0.0016751900000000, -0.0005204700000000 ] - [ -0.0045105800000000, -0.0104990500000000, 0.0038870500000000 ] - [ 0.0020229800000000, 0.0019630800000000, -0.0003447900000000 ] - [ -0.0032402000000000, -0.0028805100000000, -0.0047007600000000 ] - [ 0.0027873400000000, 0.0014659300000000, 0.0020516800000000 ] - [ 0.0090964500000000, -0.0088703100000000, 0.0006839300000000 ] - [ 0.0058577400000000, -0.0023130700000000, 0.0031813700000000 ] - [ -0.0175684800000000, 0.0009208900000000, -0.0083189000000000 ] - [ 0.0025325300000000, -0.0000760800000000, 0.0020862200000000 ] - [ -0.0124857600000000, 0.0167020100000000, -0.0172372900000000 ] - [ 0.0042078600000000, -0.0016965700000000, 0.0017099200000000 ] - [ 0.0042840600000000, -0.0005884200000000, 0.0051752600000000 ] - [ 0.0041514400000000, 0.0012044800000000, -0.0009628500000000 ] - [ 0.0053001800000000, -0.0082544600000000, 0.0012771000000000 ] - [ 0.0072652500000000, -0.0016680500000000, 0.0007261000000000 ] - [ -0.0014448100000000, -0.0005349100000000, -0.0018342300000000 ] - [ 0.0016348100000000, 0.0002444800000000, 0.0011895400000000 ] - [ 0.0038098300000000, -0.0018686500000000, -0.0002128500000000 ] - [ -0.0063284700000000, 0.0021824900000000, 0.0011870400000000 ] - [ 0.0159650700000000, -0.0064769700000000, -0.0142329300000000 ] - [ 0.0026927400000000, 0.0000118900000000, 0.0025813000000000 ] - [ -0.0008813500000000, -0.0008831700000000, 0.0044371300000000 ] - [ 0.0022677000000000, 0.0019569000000000, -0.0041455600000000 ] - [ 0.0011214300000000, -0.0004206000000000, -0.0006414600000000 ] - [ -0.0027241600000000, 0.0029268600000000, 0.0101563600000000 ] - [ -0.0010404800000000, -0.0004847700000000, -0.0015296300000000 ] - [ 0.0008216800000000, -0.0001882100000000, 0.0002738000000000 ] - [ -0.0019281500000000, 0.0015450900000000, -0.0042143900000000 ] - [ 0.0026895000000000, -0.0026028300000000, 0.0023868500000000 ] - [ 0.0128557200000000, 0.0113366800000000, 0.0000013100000000 ] - [ 0.0044472600000000, 0.0012711300000000, 0.0017576200000000 ] - [ -0.0018993500000000, 0.0020877200000000, -0.0015732400000000 ] - [ 0.0009992000000000, 0.0001192700000000, 0.0013276500000000 ] - [ -0.0093010300000000, -0.0135351400000000, -0.0118206900000000 ] - [ 0.0035270000000000, 0.0025356100000000, 0.0016171900000000 ] - [ -0.0003245200000000, -0.0008999700000000, -0.0042049400000000 ] - [ 0.0009735300000000, 0.0005912100000000, 0.0052798500000000 ] - [ 0.0037691600000000, -0.0009018700000000, 0.0012152000000000 ] - [ 0.0167757600000000, -0.0025010500000000, 0.0155728600000000 ] - [ -0.0009877600000000, -0.0002996700000000, -0.0005931000000000 ] - [ -0.0000799900000000, 0.0001337800000000, -0.0014039200000000 ] - [ -0.0025300100000000, -0.0009345800000000, -0.0017753400000000 ] - [ 0.0021104200000000, 0.0012403400000000, 0.0020316000000000 ] - [ -0.0375173800000000, -0.0393380200000000, 0.0427213200000000 ] - [ -0.0091526800000000, 0.0014598900000000, -0.0013497600000000 ] - [ 0.0040605000000000, -0.0013082900000000, 0.0069240500000000 ] - [ -0.0029177700000000, 0.0012649900000000, -0.0033294800000000 ] - [ 0.0032107600000000, 0.0020456400000000, 0.0058141800000000 ] - [ -0.0029567600000000, -0.0017159600000000, -0.0032462600000000 ] - [ 0.0027774000000000, 0.0480337100000000, -0.0100110800000000 ] - [ -0.0079279800000000, 0.0005318500000000, -0.0002906300000000 ] - [ -0.0070369800000000, 0.0180361700000000, -0.0259909600000000 ] - [ -0.0059420400000000, -0.0002853000000000, 0.0007923900000000 ] - [ -0.0047649300000000, 0.0033942100000000, 0.0065645000000000 ] - [ 0.0037055100000000, -0.0044568800000000, -0.0074912000000000 ] - [ 0.0027016900000000, -0.0017524400000000, 0.0097818000000000 ] - [ -0.0025176000000000, 0.0016101700000000, -0.0080024700000000 ] - [ -0.0063684300000000, -0.0004476900000000, -0.0007048000000000 ] - [ -0.0014647900000000, 0.0091001100000000, -0.0312470800000000 ] - [ 0.0003333800000000, -0.0008638900000000, 0.0032157000000000 ] - [ -0.0009852900000000, 0.0007533200000000, -0.0001021800000000 ] - [ -0.0734760700000000, -0.0080627000000000, 0.0035661800000000 ] - [ -0.0094436400000000, -0.0005914100000000, -0.0018991000000000 ] - [ 0.0025895500000000, -0.0012670200000000, -0.0084579700000000 ] - [ -0.0040721500000000, 0.0006595200000000, 0.0055128700000000 ] - [ -0.0176152300000000, 0.0365609900000000, 0.0331559700000000 ] - [ -0.0082715000000000, 0.0005468100000000, -0.0011626600000000 ] - [ -0.0064893300000000, 0.0019376900000000, 0.0187092000000000 ] - [ -0.0062833700000000, -0.0008893500000000, -0.0091255600000000 ] - [ 0.2566262300000000, -0.0138683200000000, -0.0016276000000000 ] - [ -0.0103909600000000, -0.0004990100000000, -0.0005988800000000 ] - [ 0.0149391100000000, 0.0043541800000000, 0.0055618400000000 ] - [ -0.0046244000000000, -0.0003641900000000, 0.0002968700000000 ] - [ -0.0148339600000000, 0.0031207200000000, 0.0124678300000000 ] - [ -0.0103396000000000, 0.0008329200000000, -0.0171831900000000 ] - [ -0.0009607200000000, 0.0007337300000000, 0.0077379400000000 ] - [ -0.0020195700000000, 0.0000537800000000, -0.0070729300000000 ] - [ 0.0287678600000000, 0.0064521300000000, 0.0012522700000000 ] - [ -0.0072073600000000, -0.0008480400000000, -0.0006761600000000 ] - [ 0.0037075200000000, -0.0017205200000000, -0.0039131400000000 ] - [ 0.0014874900000000, -0.0012692100000000, -0.0035613500000000 ] - [ -0.0131607200000000, -0.0028951100000000, -0.0053912100000000 ] - [ -0.0104878000000000, -0.0055093400000000, -0.0055066500000000 ]- atom: 131 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000331700000000, -0.0001222100000000, 0.0001574700000000 ] - [ 0.0000969800000000, -0.0000234700000000, -0.0009914300000000 ] - [ 0.0017018000000000, -0.0003334300000000, 0.0032081400000000 ] - [ 0.0000599700000000, 0.0000473600000000, -0.0000073800000000 ] - [ 0.0008139600000000, 0.0006164500000000, -0.0009906900000000 ] - [ -0.0007595200000000, 0.0006716200000000, -0.0004521500000000 ] - [ 0.0019930800000000, -0.0002885800000000, 0.0010624700000000 ] - [ -0.0049215400000000, -0.0023990700000000, 0.0008312000000000 ] - [ -0.0004928200000000, -0.0065928700000000, 0.0037666100000000 ] - [ 0.0003031600000000, -0.0003308700000000, -0.0000051300000000 ] - [ -0.0187724300000000, 0.0393783500000000, 0.0053990400000000 ] - [ 0.0004523700000000, 0.0003679100000000, -0.0006210300000000 ] - [ 0.0000212700000000, 0.0006199000000000, -0.0018678500000000 ] - [ -0.0006343400000000, 0.0003745700000000, 0.0008857300000000 ] - [ -0.0144067100000000, 0.0072244500000000, 0.0136985000000000 ] - [ -0.0010538400000000, 0.0007409100000000, 0.0006697700000000 ] - [ 0.0002213900000000, -0.0013081600000000, -0.0001781500000000 ] - [ 0.0006011700000000, -0.0007082500000000, -0.0005156000000000 ] - [ -0.0042805800000000, 0.0118896600000000, -0.0153969200000000 ] - [ -0.0002611700000000, -0.0000035700000000, -0.0003838100000000 ] - [ -0.0043502000000000, -0.0187047700000000, -0.0112130700000000 ] - [ -0.0000233200000000, -0.0000005200000000, 0.0005946400000000 ] - [ -0.0002012900000000, 0.0012271800000000, 0.0005164000000000 ] - [ 0.0000116700000000, 0.0004497200000000, -0.0001629300000000 ] - [ -0.0026152900000000, -0.0014165300000000, -0.0011867900000000 ] - [ -0.0004310600000000, 0.0003706700000000, 0.0002241400000000 ] - [ -0.0005282100000000, 0.0002944700000000, 0.0002499400000000 ] - [ 0.0048351600000000, 0.0012895100000000, 0.0012901600000000 ] - [ -0.0000417300000000, -0.0007588700000000, -0.0001686000000000 ] - [ 0.0006548900000000, -0.0005923500000000, -0.0003732700000000 ] - [ 0.0200687700000000, 0.0289512900000000, 0.0010967800000000 ] - [ 0.0001884000000000, 0.0005211200000000, 0.0000181300000000 ] - [ 0.0011714000000000, -0.0024464400000000, -0.0000198300000000 ] - [ 0.0001141600000000, -0.0000107800000000, 0.0000794400000000 ] - [ 0.0165728500000000, 0.0032237600000000, -0.0136581700000000 ] - [ -0.0006920100000000, -0.0005132600000000, -0.0003370800000000 ] - [ 0.0006682000000000, -0.0001321800000000, -0.0005569600000000 ] - [ 0.0001376900000000, -0.0000975000000000, 0.0002346500000000 ] - [ -0.0250475400000000, 0.0382023000000000, 0.0193626700000000 ] - [ -0.0006851600000000, 0.0001745600000000, 0.0002292800000000 ] - [ -0.0002525100000000, -0.0005674000000000, -0.0009606900000000 ] - [ 0.0000718000000000, -0.0003307100000000, -0.0004896000000000 ] - [ 0.0135708000000000, 0.0305672900000000, -0.0048399000000000 ] - [ 0.0008112400000000, 0.0005605300000000, -0.0001439700000000 ] - [ 0.0015057300000000, 0.0003244900000000, -0.0003723100000000 ] - [ 0.0010675500000000, -0.0013453200000000, -0.0008562800000000 ] - [ -0.0009066000000000, 0.0001618400000000, 0.0006550800000000 ] - [ -0.0003557900000000, 0.0005337900000000, 0.0001418500000000 ] - [ -0.0009105900000000, 0.0007422200000000, 0.0006817200000000 ] - [ -0.0000250400000000, 0.0006456300000000, -0.0006023100000000 ] - [ 0.0009040500000000, -0.0006471700000000, 0.0003480300000000 ] - [ 0.0004054000000000, -0.0015130600000000, 0.0011035200000000 ] - [ -0.0004813300000000, -0.0002614400000000, 0.0062209700000000 ] - [ -0.0004081300000000, -0.0000112100000000, 0.0017048800000000 ] - [ -0.0038247500000000, -0.0161061700000000, 0.0162864200000000 ] - [ -0.0002871600000000, -0.0002523500000000, -0.0005620000000000 ] - [ 0.0003366700000000, 0.0009841300000000, -0.0006632800000000 ] - [ -0.0011572800000000, 0.0003011700000000, -0.0016887000000000 ] - [ 0.0008938400000000, -0.0005623200000000, 0.0003130100000000 ] - [ -0.0100223100000000, -0.0098310500000000, 0.0006932400000000 ] - [ 0.0000582500000000, -0.0003885300000000, 0.0004026400000000 ] - [ -0.0003986900000000, 0.0001187400000000, -0.0002378000000000 ] - [ 0.0008548300000000, -0.0000736300000000, 0.0017452600000000 ] - [ 0.0000930700000000, 0.0005122800000000, -0.0003539800000000 ] - [ 0.0012954100000000, 0.0012436600000000, -0.0005968500000000 ] - [ 0.0001802500000000, 0.0001202300000000, -0.0000529900000000 ] - [ 0.0160564700000000, -0.0169225300000000, 0.0023890500000000 ] - [ 0.0015176600000000, -0.0017874100000000, 0.0009507400000000 ] - [ 0.0002818200000000, 0.0130320500000000, -0.0003325600000000 ] - [ -0.0000088800000000, 0.0002569300000000, 0.0003835200000000 ] - [ 0.0011872000000000, -0.0110470600000000, 0.0100751900000000 ] - [ -0.0001724300000000, 0.0004996000000000, -0.0001488300000000 ] - [ 0.0048228700000000, 0.0008727800000000, 0.0026076900000000 ] - [ -0.0014027700000000, 0.0000111900000000, 0.0007408600000000 ] - [ 0.0167016300000000, -0.0154862700000000, 0.0013206700000000 ] - [ 0.0002278100000000, -0.0010143100000000, -0.0003437300000000 ] - [ -0.0003251000000000, 0.0001804900000000, 0.0001378600000000 ] - [ 0.0005843700000000, 0.0003156200000000, -0.0000571300000000 ] - [ -0.0000450200000000, -0.0004226300000000, 0.0001744600000000 ] - [ 0.0009095700000000, -0.0034128200000000, 0.0010867600000000 ] - [ -0.0094801300000000, 0.0093511800000000, 0.0081051500000000 ] - [ 0.0002063600000000, 0.0011118200000000, -0.0000294700000000 ] - [ -0.0011549800000000, -0.0020409300000000, 0.0010075600000000 ] - [ 0.0003567900000000, -0.0008692800000000, -0.0005220900000000 ] - [ -0.0005947700000000, 0.0002239400000000, 0.0004421200000000 ] - [ -0.0009360500000000, 0.0024427400000000, 0.0047949800000000 ] - [ -0.0007402600000000, -0.0024791600000000, 0.0025100200000000 ] - [ 0.0003784500000000, -0.0001493000000000, -0.0001965300000000 ] - [ -0.0000389000000000, -0.0009570700000000, 0.0010845400000000 ] - [ 0.0006119800000000, -0.0009012600000000, 0.0004075600000000 ] - [ -0.0115188400000000, -0.0135349900000000, -0.0005544100000000 ] - [ 0.0015985700000000, -0.0004181800000000, 0.0006616300000000 ] - [ -0.0005235300000000, 0.0021658100000000, -0.0007356700000000 ] - [ 0.0002999800000000, 0.0007384600000000, 0.0005480400000000 ] - [ -0.0058458900000000, -0.0205134800000000, -0.0135102700000000 ] - [ -0.0001727000000000, 0.0004468900000000, 0.0000540700000000 ] - [ 0.0001261400000000, -0.0001597400000000, 0.0003437300000000 ] - [ -0.0008456700000000, -0.0006652200000000, -0.0004966700000000 ] - [ 0.0003336700000000, 0.0012319100000000, -0.0004656700000000 ] - [ -0.0116189600000000, 0.0034837300000000, -0.0112453600000000 ] - [ -0.0006964100000000, -0.0008699700000000, -0.0019914900000000 ] - [ -0.0001014000000000, -0.0001217500000000, 0.0002391600000000 ] - [ 0.0002137700000000, 0.0001068200000000, 0.0006274600000000 ] - [ 0.0008384600000000, 0.0006467500000000, 0.0008636100000000 ] - [ 0.0410627100000000, 0.0282725500000000, -0.0338680600000000 ] - [ -0.0010346900000000, -0.0013815900000000, -0.0011340100000000 ] - [ 0.0000622900000000, 0.0018925100000000, -0.0011420400000000 ] - [ -0.0002131300000000, 0.0005145800000000, -0.0005449400000000 ] - [ -0.0018149100000000, -0.0028713900000000, 0.0029806200000000 ] - [ -0.0007405900000000, -0.0003194400000000, -0.0009286500000000 ] - [ -0.0202042500000000, 0.0759484400000000, -0.0057799700000000 ] - [ 0.0004548900000000, -0.0001814000000000, -0.0004991600000000 ] - [ -0.0105211200000000, 0.0076866100000000, -0.0185268400000000 ] - [ 0.0011825600000000, 0.0003372900000000, -0.0003297200000000 ] - [ -0.0008528200000000, 0.0012238700000000, 0.0011800200000000 ] - [ -0.0012581200000000, 0.0022742500000000, 0.0004832200000000 ] - [ 0.0011273700000000, -0.0011201100000000, -0.0014152900000000 ] - [ -0.0002857200000000, -0.0008632200000000, -0.0004910300000000 ] - [ 0.0008834500000000, -0.0002789600000000, -0.0008041200000000 ] - [ -0.0060988000000000, -0.0010445300000000, -0.0136891800000000 ] - [ 0.0006436800000000, 0.0022262000000000, 0.0000559200000000 ] - [ -0.0004240500000000, 0.0010065600000000, 0.0014603500000000 ] - [ 0.0499640000000000, -0.0038380100000000, -0.0009555300000000 ] - [ -0.0014378100000000, -0.0017463500000000, 0.0003061000000000 ] - [ 0.0043226600000000, 0.0022852000000000, 0.0001128300000000 ] - [ -0.0001672700000000, -0.0005038800000000, -0.0003171600000000 ] - [ -0.0373971700000000, 0.0490639000000000, 0.0447101900000000 ] - [ 0.0010482700000000, 0.0007348900000000, -0.0002103400000000 ] - [ 0.0006023600000000, -0.0029958700000000, -0.0045270000000000 ] - [ -0.0020618800000000, -0.0033157900000000, 0.0005633600000000 ] - [ 0.0134071700000000, -0.2432864400000000, 0.0069243300000000 ] - [ -0.0001273100000000, -0.0008425900000000, -0.0003248200000000 ] - [ 0.0049775100000000, 0.0125133000000000, 0.0092753200000000 ] - [ 0.0002608800000000, -0.0000264400000000, -0.0002430100000000 ] - [ -0.0024995600000000, -0.0147074900000000, -0.0003720000000000 ] - [ -0.0001852000000000, -0.0030546600000000, 0.0077277300000000 ] - [ 0.0001031700000000, 0.0016281800000000, -0.0001830200000000 ] - [ -0.0005745400000000, 0.0006313400000000, 0.0001536900000000 ] - [ 0.0030059800000000, 0.0218656600000000, -0.0137753000000000 ] - [ -0.0000700000000000, -0.0001541600000000, 0.0004713300000000 ] - [ 0.0012660200000000, -0.0017226900000000, -0.0032831600000000 ] - [ 0.0007006900000000, -0.0015288800000000, -0.0023510900000000 ] - [ -0.0056832000000000, 0.0142030700000000, -0.0029188400000000 ] - [ -0.0059295800000000, 0.0133524200000000, -0.0010815500000000 ]- atom: 131 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001842400000000, 0.0001432300000000, -0.0001742800000000 ] - [ -0.0003204100000000, 0.0000428700000000, 0.0009772200000000 ] - [ -0.0014901200000000, 0.0003773800000000, -0.0032019200000000 ] - [ 0.0001607200000000, -0.0000233300000000, 0.0000230300000000 ] - [ -0.0005964800000000, -0.0006375100000000, 0.0010084800000000 ] - [ 0.0009758200000000, -0.0006853300000000, 0.0004741800000000 ] - [ -0.0022077900000000, 0.0002598300000000, -0.0010736900000000 ] - [ 0.0046818100000000, 0.0023667800000000, -0.0008461700000000 ] - [ 0.0016792300000000, 0.0065149000000000, -0.0041125400000000 ] - [ 0.0009008400000000, 0.0003743300000000, -0.0003463600000000 ] - [ 0.0220813300000000, -0.0408451100000000, -0.0080976600000000 ] - [ 0.0007486200000000, 0.0005964600000000, -0.0007191400000000 ] - [ -0.0012175700000000, 0.0003537800000000, 0.0031878800000000 ] - [ -0.0005649700000000, 0.0005944800000000, 0.0004536200000000 ] - [ 0.0131884300000000, -0.0081796700000000, -0.0123563100000000 ] - [ -0.0001555200000000, -0.0016964100000000, 0.0006789100000000 ] - [ 0.0009802800000000, 0.0003393500000000, -0.0011647000000000 ] - [ 0.0005991900000000, -0.0002606200000000, -0.0008248100000000 ] - [ 0.0041077000000000, -0.0116385500000000, 0.0143097100000000 ] - [ 0.0001347500000000, -0.0000030500000000, -0.0006233300000000 ] - [ 0.0044872900000000, 0.0186503300000000, 0.0121461500000000 ] - [ 0.0001478300000000, -0.0000066000000000, 0.0004095500000000 ] - [ 0.0003283300000000, -0.0012206200000000, 0.0004910200000000 ] - [ 0.0001094000000000, -0.0004413600000000, 0.0011639400000000 ] - [ 0.0015853800000000, 0.0020519600000000, 0.0015601200000000 ] - [ -0.0005714800000000, 0.0002699800000000, 0.0001639000000000 ] - [ -0.0004827100000000, -0.0009342100000000, 0.0001393600000000 ] - [ -0.0059054600000000, -0.0019303800000000, -0.0009350600000000 ] - [ 0.0010501900000000, 0.0001161600000000, -0.0002179800000000 ] - [ 0.0003516100000000, -0.0000506400000000, -0.0000169300000000 ] - [ -0.0185808500000000, -0.0279178800000000, -0.0013088600000000 ] - [ -0.0001578800000000, -0.0003304100000000, 0.0000992700000000 ] - [ -0.0011937000000000, 0.0026206800000000, -0.0001098600000000 ] - [ -0.0001414100000000, 0.0001952600000000, -0.0001971300000000 ] - [ -0.0166126400000000, -0.0034112900000000, 0.0135363800000000 ] - [ 0.0006524300000000, 0.0003163000000000, 0.0002258500000000 ] - [ -0.0006358500000000, -0.0000539700000000, 0.0006700200000000 ] - [ -0.0001084500000000, -0.0000879700000000, -0.0001195800000000 ] - [ 0.0217534600000000, -0.0354411300000000, -0.0178695600000000 ] - [ -0.0005205100000000, -0.0001262900000000, 0.0001218200000000 ] - [ 0.0001238500000000, 0.0005728300000000, -0.0000433900000000 ] - [ -0.0001923100000000, 0.0003380800000000, -0.0005092200000000 ] - [ -0.0138132000000000, -0.0306295600000000, 0.0046439200000000 ] - [ 0.0001952400000000, 0.0000792100000000, -0.0002459700000000 ] - [ -0.0003007200000000, -0.0003745300000000, 0.0000211800000000 ] - [ 0.0001426700000000, 0.0012801900000000, 0.0005067300000000 ] - [ -0.0002952900000000, -0.0002027200000000, -0.0003022300000000 ] - [ -0.0008464100000000, -0.0005716500000000, 0.0002083000000000 ] - [ 0.0005103900000000, -0.0003194100000000, -0.0021168300000000 ] - [ -0.0003742200000000, -0.0002205800000000, -0.0008315800000000 ] - [ -0.0005101000000000, 0.0010661700000000, 0.0010932500000000 ] - [ 0.0000058500000000, 0.0019276000000000, 0.0003408900000000 ] - [ 0.0008761700000000, -0.0001803100000000, -0.0047101400000000 ] - [ 0.0008130200000000, -0.0004122600000000, -0.0002762100000000 ] - [ 0.0034320800000000, 0.0156000200000000, -0.0176258500000000 ] - [ -0.0001158900000000, -0.0001685900000000, -0.0008729000000000 ] - [ -0.0001318900000000, -0.0017131200000000, -0.0000174000000000 ] - [ 0.0013518200000000, -0.0010189600000000, 0.0010041200000000 ] - [ -0.0010999100000000, -0.0001788400000000, 0.0003597400000000 ] - [ 0.0097989200000000, 0.0090579800000000, -0.0000105800000000 ] - [ -0.0002600100000000, 0.0011139000000000, 0.0002773600000000 ] - [ 0.0002010200000000, 0.0006042200000000, 0.0009202300000000 ] - [ -0.0006330400000000, 0.0008975000000000, -0.0024494200000000 ] - [ 0.0001085100000000, 0.0002244800000000, -0.0003226700000000 ] - [ -0.0021396700000000, -0.0019971300000000, -0.0002666200000000 ] - [ -0.0010212600000000, -0.0008766800000000, -0.0008064200000000 ] - [ -0.0152332300000000, 0.0161504400000000, -0.0015200800000000 ] - [ -0.0006645700000000, 0.0010203500000000, -0.0000852800000000 ] - [ -0.0000060600000000, -0.0128307600000000, 0.0014296400000000 ] - [ 0.0001588900000000, 0.0000318200000000, 0.0003880800000000 ] - [ -0.0020485500000000, 0.0117975900000000, -0.0108930900000000 ] - [ -0.0006747600000000, 0.0002644700000000, -0.0007111500000000 ] - [ -0.0054037600000000, -0.0005904200000000, -0.0020170100000000 ] - [ 0.0007405500000000, 0.0002899100000000, -0.0001842700000000 ] - [ -0.0159951100000000, 0.0157749700000000, -0.0018901100000000 ] - [ 0.0004264700000000, 0.0013176200000000, -0.0002161400000000 ] - [ 0.0009974800000000, -0.0004790500000000, -0.0006958300000000 ] - [ 0.0000784100000000, -0.0006140800000000, -0.0004976200000000 ] - [ -0.0006229700000000, 0.0001203100000000, 0.0003838900000000 ] - [ -0.0015534500000000, 0.0031012500000000, -0.0005134000000000 ] - [ 0.0100984800000000, -0.0091500500000000, -0.0078955400000000 ] - [ 0.0004367300000000, -0.0009408100000000, 0.0002062900000000 ] - [ 0.0005095500000000, 0.0022112100000000, -0.0011994800000000 ] - [ -0.0009891500000000, 0.0010391700000000, 0.0003335400000000 ] - [ -0.0000465900000000, -0.0003938600000000, -0.0006204700000000 ] - [ 0.0003018500000000, -0.0026304600000000, -0.0050483300000000 ] - [ 0.0013782000000000, 0.0023062400000000, -0.0023066000000000 ] - [ 0.0002592500000000, -0.0000229200000000, 0.0003811400000000 ] - [ -0.0001499700000000, -0.0004739100000000, -0.0011087300000000 ] - [ -0.0007943600000000, -0.0005302900000000, -0.0004290600000000 ] - [ 0.0116831600000000, 0.0121167600000000, 0.0005790100000000 ] - [ -0.0013983400000000, -0.0010025500000000, -0.0006311200000000 ] - [ 0.0007050400000000, -0.0007265400000000, 0.0007543500000000 ] - [ -0.0001101700000000, 0.0006907000000000, -0.0005273500000000 ] - [ 0.0056339900000000, 0.0219356900000000, 0.0135034800000000 ] - [ -0.0000187600000000, 0.0009763400000000, -0.0000772800000000 ] - [ 0.0000250500000000, -0.0001280100000000, 0.0004250000000000 ] - [ 0.0009873700000000, 0.0003763000000000, 0.0012561300000000 ] - [ -0.0004878300000000, -0.0015206800000000, -0.0003075900000000 ] - [ 0.0114526300000000, -0.0037718900000000, 0.0104699100000000 ] - [ 0.0005398400000000, 0.0011523200000000, 0.0012057100000000 ] - [ -0.0000467100000000, 0.0004085500000000, -0.0010032400000000 ] - [ 0.0006225000000000, 0.0006449200000000, 0.0002296100000000 ] - [ 0.0000079200000000, 0.0001118700000000, -0.0000032000000000 ] - [ -0.0414994500000000, -0.0277605700000000, 0.0333518600000000 ] - [ 0.0003071700000000, 0.0018410800000000, 0.0007781600000000 ] - [ 0.0006618300000000, -0.0013983000000000, 0.0014967900000000 ] - [ 0.0009358700000000, -0.0000315900000000, 0.0008877400000000 ] - [ 0.0010869500000000, 0.0023732200000000, -0.0033063400000000 ] - [ 0.0000139600000000, -0.0001616400000000, 0.0005871200000000 ] - [ 0.0201215700000000, -0.0753211000000000, 0.0051718100000000 ] - [ -0.0002239200000000, 0.0003219400000000, -0.0001686400000000 ] - [ 0.0101883200000000, -0.0072858100000000, 0.0189831900000000 ] - [ -0.0014074700000000, -0.0001920000000000, 0.0010020100000000 ] - [ 0.0006388000000000, -0.0013606000000000, -0.0005195300000000 ] - [ 0.0010095400000000, -0.0023968600000000, 0.0001657200000000 ] - [ -0.0009137700000000, 0.0009712200000000, 0.0007437600000000 ] - [ 0.0005099400000000, 0.0007094200000000, -0.0001781300000000 ] - [ -0.0001765000000000, 0.0004619500000000, -0.0005356300000000 ] - [ 0.0068670800000000, 0.0011632200000000, 0.0125731000000000 ] - [ -0.0013481200000000, -0.0020266900000000, 0.0012686800000000 ] - [ -0.0002758900000000, -0.0008084500000000, -0.0001166500000000 ] - [ -0.0507075100000000, 0.0036928300000000, 0.0022857500000000 ] - [ 0.0007356700000000, 0.0015681100000000, 0.0010392600000000 ] - [ -0.0035892300000000, -0.0024818700000000, -0.0014362600000000 ] - [ 0.0008619500000000, 0.0003130800000000, -0.0010141900000000 ] - [ 0.0383836900000000, -0.0497068900000000, -0.0445647300000000 ] - [ -0.0003200800000000, -0.0011987400000000, 0.0005462900000000 ] - [ -0.0003637000000000, 0.0039031900000000, 0.0055329600000000 ] - [ 0.0022650400000000, 0.0041999600000000, 0.0004464100000000 ] - [ -0.0143065400000000, 0.2415192000000000, -0.0070250200000000 ] - [ -0.0003627800000000, 0.0000765200000000, -0.0002227700000000 ] - [ -0.0044438400000000, -0.0132218000000000, -0.0086283400000000 ] - [ 0.0002244300000000, -0.0007367600000000, 0.0007902700000000 ] - [ 0.0030052000000000, 0.0154707300000000, 0.0009098500000000 ] - [ 0.0007118900000000, 0.0038434100000000, -0.0071833400000000 ] - [ -0.0005945100000000, -0.0008641400000000, -0.0003655300000000 ] - [ 0.0000841700000000, 0.0001293300000000, -0.0006982400000000 ] - [ -0.0027756500000000, -0.0227796700000000, 0.0146151100000000 ] - [ 0.0003110000000000, -0.0007618700000000, 0.0005384700000000 ] - [ -0.0014771400000000, 0.0008031400000000, 0.0022354300000000 ] - [ -0.0009537400000000, 0.0006241000000000, 0.0013651900000000 ] - [ 0.0054892100000000, -0.0132770900000000, 0.0019268700000000 ] - [ 0.0056453700000000, -0.0124053200000000, 0.0000649400000000 ]- atom: 131 displacement: [ -0.0057372931549350, 0.0000000000000000, 0.0081904497589776 ] forces: - [ 0.0000054100000000, 0.0002517300000000, 0.0012287400000000 ] - [ -0.0006732700000000, -0.0001412000000000, 0.0024810100000000 ] - [ 0.0023226900000000, 0.0029920700000000, 0.0035411200000000 ] - [ -0.0009680300000000, -0.0001691900000000, 0.0008616100000000 ] - [ -0.0017825400000000, -0.0004888700000000, 0.0015665300000000 ] - [ 0.0020037600000000, -0.0012883500000000, -0.0019231700000000 ] - [ -0.0021643900000000, 0.0002329800000000, -0.0027478400000000 ] - [ -0.0041502200000000, 0.0017746900000000, -0.0005726700000000 ] - [ -0.0023271800000000, 0.0127367800000000, -0.0042409400000000 ] - [ 0.0022288400000000, 0.0007080300000000, -0.0010188800000000 ] - [ -0.0294735000000000, 0.0314574800000000, 0.0220253400000000 ] - [ 0.0025473700000000, -0.0010032900000000, -0.0012080100000000 ] - [ 0.0007743000000000, 0.0007776200000000, -0.0026324800000000 ] - [ -0.0006092600000000, 0.0009963300000000, -0.0001050400000000 ] - [ 0.0112049200000000, -0.0033890900000000, -0.0086236000000000 ] - [ -0.0006084800000000, -0.0002015100000000, 0.0022990600000000 ] - [ 0.0040932300000000, 0.0026880200000000, -0.0045562600000000 ] - [ -0.0007977500000000, -0.0013302800000000, -0.0004918400000000 ] - [ 0.0013380200000000, -0.0016532800000000, 0.0430760800000000 ] - [ 0.0014335800000000, -0.0001782000000000, -0.0005511800000000 ] - [ -0.0031009700000000, -0.0092882100000000, -0.0010827000000000 ] - [ 0.0016117900000000, 0.0003541700000000, 0.0011639600000000 ] - [ -0.0003129600000000, 0.0019881300000000, -0.0060913700000000 ] - [ -0.0016515800000000, -0.0000114000000000, -0.0001094500000000 ] - [ -0.0074981200000000, 0.0016251700000000, 0.0013410800000000 ] - [ 0.0032437000000000, -0.0007303400000000, -0.0008838400000000 ] - [ 0.0067451800000000, 0.0013721700000000, -0.0011701900000000 ] - [ -0.0201126700000000, -0.0028571300000000, -0.0045310100000000 ] - [ 0.0040507700000000, -0.0014326700000000, -0.0021414500000000 ] - [ -0.0021240400000000, 0.0006622200000000, -0.0007427800000000 ] - [ -0.0293849700000000, -0.0176333700000000, 0.0111044500000000 ] - [ 0.0023324800000000, 0.0012537000000000, -0.0001374800000000 ] - [ 0.0019247500000000, 0.0003543900000000, -0.0033083100000000 ] - [ -0.0002030700000000, -0.0001806300000000, -0.0004268700000000 ] - [ 0.0120925600000000, 0.0001644100000000, -0.0087987300000000 ] - [ -0.0000822600000000, -0.0009616800000000, 0.0012504200000000 ] - [ 0.0039524900000000, -0.0027733400000000, -0.0034949000000000 ] - [ -0.0017971400000000, 0.0008399400000000, -0.0001750000000000 ] - [ -0.0209821200000000, 0.0107171300000000, 0.0229164100000000 ] - [ 0.0011005500000000, -0.0011335700000000, 0.0000245100000000 ] - [ 0.0001016300000000, -0.0014289600000000, -0.0045906000000000 ] - [ -0.0018579700000000, -0.0001207700000000, -0.0002979700000000 ] - [ -0.0233134400000000, -0.0220352200000000, 0.0155639300000000 ] - [ 0.0042588700000000, 0.0014643500000000, 0.0004343000000000 ] - [ 0.0044178100000000, -0.0036048800000000, -0.0020677800000000 ] - [ -0.0019617400000000, 0.0001440600000000, 0.0015852000000000 ] - [ 0.0013396100000000, 0.0018623900000000, -0.0024441600000000 ] - [ -0.0019240600000000, -0.0010541400000000, 0.0000120000000000 ] - [ 0.0040661100000000, -0.0010008500000000, -0.0094328600000000 ] - [ -0.0018493500000000, -0.0001768000000000, -0.0004980000000000 ] - [ 0.0032736500000000, 0.0005245400000000, -0.0027185300000000 ] - [ -0.0024296800000000, -0.0004930400000000, 0.0072665400000000 ] - [ 0.0003560500000000, 0.0010651800000000, -0.0138349300000000 ] - [ 0.0030311900000000, -0.0010812900000000, -0.0044029700000000 ] - [ -0.0100411700000000, -0.0097930100000000, 0.0236180400000000 ] - [ 0.0017451600000000, 0.0000319100000000, -0.0025440600000000 ] - [ 0.0027471900000000, -0.0029289100000000, -0.0019943900000000 ] - [ -0.0014838700000000, -0.0009853800000000, 0.0022388300000000 ] - [ 0.0016444300000000, 0.0021490000000000, 0.0029695800000000 ] - [ 0.0100562700000000, 0.0083521700000000, 0.0010142600000000 ] - [ -0.0004966800000000, 0.0017879600000000, -0.0017147500000000 ] - [ 0.0006008400000000, -0.0004228900000000, -0.0023332800000000 ] - [ -0.0010259100000000, 0.0089913300000000, -0.0076278700000000 ] - [ 0.0017969200000000, 0.0010159400000000, -0.0014159200000000 ] - [ 0.0017044200000000, -0.0014078900000000, -0.0035521000000000 ] - [ -0.0029861900000000, -0.0014718700000000, -0.0016680000000000 ] - [ 0.0126588000000000, -0.0113160300000000, 0.0037455300000000 ] - [ 0.0041940000000000, -0.0021731300000000, 0.0029207500000000 ] - [ -0.0034877400000000, -0.0010776200000000, 0.0285643500000000 ] - [ 0.0017332100000000, -0.0000936100000000, 0.0001702700000000 ] - [ -0.0055878100000000, 0.0110777000000000, -0.0096211900000000 ] - [ 0.0015224400000000, -0.0001437100000000, 0.0004961400000000 ] - [ -0.0183034900000000, 0.0001405000000000, -0.0037415300000000 ] - [ 0.0051396900000000, 0.0015239400000000, -0.0008244500000000 ] - [ 0.0078507500000000, -0.0092562600000000, 0.0034088800000000 ] - [ 0.0054272600000000, -0.0014760000000000, 0.0008472900000000 ] - [ 0.0026464600000000, 0.0004146800000000, -0.0029944000000000 ] - [ -0.0022984000000000, -0.0014991000000000, -0.0017113700000000 ] - [ 0.0035096500000000, -0.0015843900000000, -0.0004985000000000 ] - [ -0.0074116500000000, 0.0012669600000000, 0.0010367800000000 ] - [ 0.0121223500000000, -0.0032139100000000, -0.0073675800000000 ] - [ -0.0000744600000000, 0.0008349800000000, 0.0047315700000000 ] - [ -0.0028422200000000, -0.0012920300000000, 0.0062995700000000 ] - [ 0.0018800500000000, 0.0012389300000000, -0.0023064100000000 ] - [ 0.0021516000000000, -0.0015850200000000, -0.0047925000000000 ] - [ -0.0009566900000000, -0.0029417700000000, -0.0153847500000000 ] - [ 0.0010939400000000, 0.0012987000000000, -0.0039387100000000 ] - [ 0.0007801500000000, 0.0008056500000000, -0.0025319300000000 ] - [ 0.0014177800000000, -0.0000941500000000, -0.0025132200000000 ] - [ -0.0025804500000000, 0.0003075000000000, -0.0006402200000000 ] - [ 0.0115663900000000, 0.0090847500000000, 0.0023342200000000 ] - [ 0.0031883200000000, 0.0013366700000000, 0.0020245800000000 ] - [ 0.0002801300000000, 0.0003825000000000, -0.0023544900000000 ] - [ -0.0016843000000000, 0.0021301200000000, -0.0024277700000000 ] - [ -0.0047332000000000, -0.0118886100000000, -0.0088837200000000 ] - [ 0.0013836300000000, 0.0012078000000000, 0.0004416100000000 ] - [ 0.0006606800000000, -0.0007326400000000, -0.0029108400000000 ] - [ -0.0016205300000000, -0.0002891700000000, 0.0008697300000000 ] - [ 0.0038008100000000, -0.0008581800000000, 0.0033591700000000 ] - [ 0.0119824200000000, -0.0037854200000000, 0.0166002500000000 ] - [ -0.0019317900000000, 0.0001594600000000, -0.0047041500000000 ] - [ -0.0002724500000000, -0.0003900500000000, -0.0037939600000000 ] - [ 0.0012108000000000, 0.0006093300000000, -0.0018455600000000 ] - [ -0.0021819800000000, -0.0012400300000000, -0.0017912900000000 ] - [ -0.0357703800000000, -0.0307092700000000, 0.0258940300000000 ] - [ -0.0041741900000000, -0.0011102000000000, -0.0025051200000000 ] - [ -0.0041579000000000, -0.0019392600000000, 0.0076424900000000 ] - [ 0.0035849300000000, 0.0013681600000000, 0.0019516300000000 ] - [ -0.0037924500000000, 0.0021009300000000, 0.0078723300000000 ] - [ 0.0027977400000000, -0.0011433200000000, 0.0024310500000000 ] - [ -0.0015461500000000, 0.0453111300000000, -0.0244739100000000 ] - [ -0.0052381900000000, 0.0006182600000000, 0.0002679300000000 ] - [ 0.0316807700000000, -0.0270788000000000, 0.0337494000000000 ] - [ -0.0062504800000000, 0.0000367100000000, 0.0037537700000000 ] - [ -0.0051206800000000, 0.0034149800000000, 0.0056011500000000 ] - [ 0.0077192000000000, 0.0003698100000000, -0.0058222900000000 ] - [ -0.0031664400000000, -0.0023506300000000, 0.0101249700000000 ] - [ 0.0040332400000000, 0.0006202000000000, 0.0012746600000000 ] - [ -0.0068639500000000, 0.0014062800000000, 0.0023386900000000 ] - [ 0.0265061400000000, -0.0110063500000000, 0.0453200100000000 ] - [ -0.0033548000000000, 0.0000273600000000, 0.0069499700000000 ] - [ 0.0024845200000000, -0.0014827200000000, 0.0051591300000000 ] - [ -0.0539350600000000, -0.0044636800000000, -0.0073101800000000 ] - [ -0.0056456200000000, -0.0017821500000000, -0.0052466100000000 ] - [ 0.0085075500000000, 0.0017264100000000, -0.0055996400000000 ] - [ -0.0045774000000000, 0.0012723100000000, 0.0036670400000000 ] - [ -0.0274291400000000, 0.0401865400000000, 0.0283136200000000 ] - [ -0.0032444100000000, 0.0017428400000000, -0.0015957300000000 ] - [ -0.0117573900000000, 0.0016246100000000, 0.0130945100000000 ] - [ 0.0099309800000000, 0.0049835000000000, -0.0018336700000000 ] - [ 0.1480347600000000, -0.0021429500000000, -0.2064135600000000 ] - [ -0.0057971300000000, -0.0004915600000000, 0.0002115100000000 ] - [ 0.0043259200000000, -0.0050106200000000, 0.0074193500000000 ] - [ -0.0025653900000000, 0.0000505600000000, 0.0024961300000000 ] - [ -0.0184025700000000, 0.0014338500000000, 0.0097398300000000 ] - [ 0.0084530400000000, 0.0067493300000000, -0.0121508800000000 ] - [ -0.0072282100000000, 0.0005104600000000, 0.0084752500000000 ] - [ 0.0043029200000000, -0.0001558800000000, -0.0000745400000000 ] - [ 0.0185955400000000, -0.0043213200000000, -0.0042899600000000 ] - [ -0.0046634600000000, -0.0004631700000000, 0.0025507800000000 ] - [ -0.0024060300000000, 0.0008841500000000, 0.0124655600000000 ] - [ -0.0014355700000000, 0.0004317100000000, 0.0115456200000000 ] - [ -0.0124181200000000, -0.0018549200000000, -0.0096880300000000 ] - [ -0.0082221900000000, -0.0027371600000000, -0.0082572700000000 ]- atom: 131 displacement: [ 0.0057372931549350, 0.0000000000000000, -0.0081904497589776 ] forces: - [ -0.0002220200000000, -0.0002280200000000, -0.0012453200000000 ] - [ 0.0004531500000000, 0.0001679200000000, -0.0025008800000000 ] - [ -0.0021126000000000, -0.0029820400000000, -0.0035291800000000 ] - [ 0.0011892200000000, 0.0001913000000000, -0.0008441900000000 ] - [ 0.0019996900000000, 0.0004622500000000, -0.0015518900000000 ] - [ -0.0017867400000000, 0.0012665700000000, 0.0019406000000000 ] - [ 0.0019441500000000, -0.0002544900000000, 0.0027339500000000 ] - [ 0.0039288800000000, -0.0017872400000000, 0.0005472600000000 ] - [ 0.0035255000000000, -0.0127165800000000, 0.0038997100000000 ] - [ -0.0010226200000000, -0.0006584100000000, 0.0006687400000000 ] - [ 0.0317885600000000, -0.0323359900000000, -0.0238487000000000 ] - [ -0.0013481600000000, 0.0019693500000000, -0.0001318200000000 ] - [ -0.0019870600000000, 0.0001697900000000, 0.0039777400000000 ] - [ -0.0005906300000000, -0.0000318900000000, 0.0014478300000000 ] - [ -0.0124248400000000, 0.0024047600000000, 0.0099586000000000 ] - [ -0.0005994200000000, -0.0007566500000000, -0.0009534000000000 ] - [ -0.0028921800000000, -0.0036503600000000, 0.0032132300000000 ] - [ 0.0020022500000000, 0.0003677200000000, -0.0008508300000000 ] - [ -0.0006597900000000, 0.0012734000000000, -0.0425703000000000 ] - [ -0.0015566600000000, 0.0001695800000000, -0.0004491800000000 ] - [ 0.0032384400000000, 0.0093206500000000, 0.0021144600000000 ] - [ -0.0014844300000000, -0.0003607100000000, -0.0001579800000000 ] - [ 0.0004365300000000, -0.0019829800000000, 0.0070986800000000 ] - [ 0.0017717400000000, 0.0000216300000000, 0.0011054200000000 ] - [ 0.0064879400000000, -0.0009843600000000, -0.0009501000000000 ] - [ -0.0042481500000000, 0.0013691200000000, 0.0012740100000000 ] - [ -0.0077644200000000, -0.0020153100000000, 0.0015579300000000 ] - [ 0.0190814000000000, 0.0022157900000000, 0.0049075300000000 ] - [ -0.0030396100000000, 0.0007932900000000, 0.0017534600000000 ] - [ 0.0031291500000000, -0.0013022100000000, 0.0003547100000000 ] - [ 0.0307856200000000, 0.0190543500000000, -0.0111015700000000 ] - [ -0.0023040100000000, -0.0010665000000000, 0.0002553900000000 ] - [ -0.0019665400000000, -0.0001525500000000, 0.0031929800000000 ] - [ 0.0001746200000000, 0.0003690400000000, 0.0003115300000000 ] - [ -0.0121424100000000, -0.0003285500000000, 0.0086877400000000 ] - [ 0.0000424300000000, 0.0007671700000000, -0.0013635500000000 ] - [ -0.0039218200000000, 0.0025790000000000, 0.0036070100000000 ] - [ 0.0018324900000000, -0.0010308000000000, 0.0002903000000000 ] - [ 0.0192246200000000, -0.0096518500000000, -0.0223533200000000 ] - [ -0.0023036100000000, 0.0011793300000000, 0.0003266400000000 ] - [ -0.0002301100000000, 0.0014351700000000, 0.0035824200000000 ] - [ 0.0017316200000000, 0.0001263000000000, -0.0007095000000000 ] - [ 0.0230545600000000, 0.0216071800000000, -0.0159460700000000 ] - [ -0.0032527100000000, -0.0008231200000000, -0.0008256100000000 ] - [ -0.0032179700000000, 0.0035661100000000, 0.0017142100000000 ] - [ 0.0031689500000000, -0.0001930000000000, -0.0019392100000000 ] - [ -0.0025451600000000, -0.0019140500000000, 0.0027975700000000 ] - [ 0.0007195100000000, 0.0010093700000000, 0.0003388100000000 ] - [ -0.0044643000000000, 0.0014205900000000, 0.0079946600000000 ] - [ 0.0014462800000000, 0.0005988100000000, -0.0009351900000000 ] - [ -0.0028685000000000, -0.0000995900000000, 0.0041417800000000 ] - [ 0.0028298500000000, 0.0009137200000000, -0.0058312400000000 ] - [ 0.0000282500000000, -0.0014820700000000, 0.0152928900000000 ] - [ -0.0026288300000000, 0.0006615200000000, 0.0058425900000000 ] - [ 0.0096631900000000, 0.0093906700000000, -0.0251011400000000 ] - [ -0.0021459900000000, -0.0004528900000000, 0.0011069100000000 ] - [ -0.0025410200000000, 0.0021872900000000, 0.0013188700000000 ] - [ 0.0016870800000000, 0.0002549400000000, -0.0029168200000000 ] - [ -0.0018428300000000, -0.0028750800000000, -0.0022948900000000 ] - [ -0.0102802500000000, -0.0090902100000000, -0.0003182900000000 ] - [ 0.0002929900000000, -0.0010530300000000, 0.0023928800000000 ] - [ -0.0008015200000000, 0.0011616800000000, 0.0030145800000000 ] - [ 0.0012405400000000, -0.0082718900000000, 0.0069492200000000 ] - [ -0.0015983400000000, -0.0002851400000000, 0.0007373500000000 ] - [ -0.0025417200000000, 0.0006362000000000, 0.0026745900000000 ] - [ 0.0021484000000000, 0.0007143100000000, 0.0008115900000000 ] - [ -0.0117798900000000, 0.0105372100000000, -0.0028957900000000 ] - [ -0.0033527000000000, 0.0014139100000000, -0.0020603700000000 ] - [ 0.0030299000000000, 0.0015537300000000, -0.0290685900000000 ] - [ -0.0015862800000000, 0.0003824200000000, 0.0005951900000000 ] - [ 0.0047440100000000, -0.0103361400000000, 0.0087550000000000 ] - [ -0.0023729300000000, 0.0009072600000000, -0.0013588900000000 ] - [ 0.0176860500000000, 0.0001594900000000, 0.0043134100000000 ] - [ -0.0057969800000000, -0.0012194800000000, 0.0013829200000000 ] - [ -0.0072201700000000, 0.0095801000000000, -0.0039634800000000 ] - [ -0.0047565700000000, 0.0017749500000000, -0.0014050600000000 ] - [ -0.0019770700000000, -0.0007150300000000, 0.0024428300000000 ] - [ 0.0029572000000000, 0.0011970400000000, 0.0011531200000000 ] - [ -0.0041785400000000, 0.0012851300000000, 0.0010537100000000 ] - [ 0.0067490300000000, -0.0015672100000000, -0.0004842500000000 ] - [ -0.0114755900000000, 0.0034055700000000, 0.0075824300000000 ] - [ 0.0007155400000000, -0.0006653800000000, -0.0045549700000000 ] - [ 0.0022040700000000, 0.0014633100000000, -0.0064863400000000 ] - [ -0.0025218900000000, -0.0010724300000000, 0.0021313000000000 ] - [ -0.0027934000000000, 0.0014146000000000, 0.0046077400000000 ] - [ 0.0003371400000000, 0.0027682900000000, 0.0152132300000000 ] - [ -0.0004493400000000, -0.0014657300000000, 0.0041115700000000 ] - [ -0.0001425700000000, -0.0009765600000000, 0.0027177700000000 ] - [ -0.0016048300000000, -0.0013269700000000, 0.0024846900000000 ] - [ 0.0023984700000000, -0.0017394500000000, 0.0006206700000000 ] - [ -0.0113470000000000, -0.0105003300000000, -0.0023256400000000 ] - [ -0.0030023000000000, -0.0027661300000000, -0.0020002800000000 ] - [ -0.0000984600000000, 0.0010471000000000, 0.0023712100000000 ] - [ 0.0018786500000000, -0.0007065100000000, 0.0024551800000000 ] - [ 0.0045473700000000, 0.0133390800000000, 0.0088492800000000 ] - [ -0.0015764000000000, 0.0002168600000000, -0.0004656700000000 ] - [ -0.0005091700000000, 0.0004430100000000, 0.0036832300000000 ] - [ 0.0017712800000000, 0.0000018900000000, -0.0000974700000000 ] - [ -0.0039615300000000, 0.0005738300000000, -0.0041404500000000 ] - [ -0.0121461800000000, 0.0035092500000000, -0.0173746500000000 ] - [ 0.0017806800000000, 0.0001295300000000, 0.0039399900000000 ] - [ 0.0001246400000000, 0.0006801600000000, 0.0030269700000000 ] - [ -0.0003720900000000, 0.0001519300000000, 0.0027012300000000 ] - [ 0.0030353600000000, 0.0020057500000000, 0.0026579300000000 ] - [ 0.0351741500000000, 0.0313645300000000, -0.0262218000000000 ] - [ 0.0034560500000000, 0.0015809800000000, 0.0021572400000000 ] - [ 0.0048917600000000, 0.0024020800000000, -0.0072903600000000 ] - [ -0.0028683300000000, -0.0008962700000000, -0.0016124500000000 ] - [ 0.0030832600000000, -0.0025541500000000, -0.0082001200000000 ] - [ -0.0035334500000000, 0.0006705600000000, -0.0027801800000000 ] - [ 0.0017838200000000, -0.0451808200000000, 0.0238015200000000 ] - [ 0.0054563600000000, -0.0004751900000000, -0.0009351700000000 ] - [ -0.0318029200000000, 0.0271862000000000, -0.0330876100000000 ] - [ 0.0060200900000000, 0.0001035100000000, -0.0030920600000000 ] - [ 0.0049040700000000, -0.0035648000000000, -0.0049223100000000 ] - [ -0.0079416900000000, -0.0005086400000000, 0.0064960000000000 ] - [ 0.0033863300000000, 0.0022145200000000, -0.0107957800000000 ] - [ -0.0038026200000000, -0.0007676900000000, -0.0019409200000000 ] - [ 0.0075794200000000, -0.0012172300000000, -0.0036721600000000 ] - [ -0.0259791100000000, 0.0112634800000000, -0.0468232200000000 ] - [ 0.0026452800000000, 0.0001499700000000, -0.0056126500000000 ] - [ -0.0031838700000000, 0.0016692000000000, -0.0038252200000000 ] - [ 0.0531318900000000, 0.0041883100000000, 0.0085510000000000 ] - [ 0.0049441600000000, 0.0015894100000000, 0.0066024300000000 ] - [ -0.0078068800000000, -0.0019191600000000, 0.0042597100000000 ] - [ 0.0052772200000000, -0.0014495300000000, -0.0050106400000000 ] - [ 0.0282042400000000, -0.0408953300000000, -0.0279604300000000 ] - [ 0.0039786700000000, -0.0022146700000000, 0.0019359300000000 ] - [ 0.0119599700000000, -0.0007097100000000, -0.0120779400000000 ] - [ -0.0097150100000000, -0.0040780900000000, 0.0028380200000000 ] - [ -0.1494297800000000, 0.0022719500000000, 0.2062716000000000 ] - [ 0.0053084200000000, -0.0002726800000000, -0.0007599300000000 ] - [ -0.0038136000000000, 0.0042475100000000, -0.0069058500000000 ] - [ 0.0030512800000000, -0.0008166100000000, -0.0019520100000000 ] - [ 0.0189418600000000, -0.0006748300000000, -0.0092053100000000 ] - [ -0.0079488300000000, -0.0059784400000000, 0.0127055800000000 ] - [ 0.0067352600000000, 0.0002594900000000, -0.0090226300000000 ] - [ -0.0047970500000000, 0.0009197800000000, -0.0004716900000000 ] - [ -0.0183909800000000, 0.0034204800000000, 0.0053219500000000 ] - [ 0.0049074700000000, -0.0004503800000000, -0.0015362700000000 ] - [ 0.0021864800000000, -0.0018021500000000, -0.0134700700000000 ] - [ 0.0011890900000000, -0.0013514900000000, -0.0125741800000000 ] - [ 0.0121713800000000, 0.0027668600000000, 0.0086911100000000 ] - [ 0.0079979700000000, 0.0036466600000000, 0.0072419000000000 ]