# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1d4a9003-0712-47ac-8502-3a848edab080/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 CaTiO3 / Imma (74) / materials id 556003](https://mdr.nims.go.jp/datasets/66207e5a-132e-45a2-8dd8-449ac12374ba) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Imma" number: 74 Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -3.789009135000000, 2.705074095000000, 2.708888015000000 ] # a - [ 3.789009135000000, -2.705074095000000, 2.708888015000000 ] # b - [ 3.789009135000000, 2.705074095000000, -2.708888015000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.513330200000000, 0.263330200000000, 0.250000000000000 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.486669800000000, 0.736669800000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ti # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 47.867000 - symbol: Ti # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.702259640000000, 0.702259640000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.912445990000000, 0.162445990000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.702259640000000, 0.202259640000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.297740360000000, 0.297740360000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.500000000000000, 0.297740360000000, 0.797740360000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.087554010000000, 0.837554010000000, 0.250000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.184837820496004, 0.184577582104294 ] # a* - [ 0.131960621414548, 0.000000000000000, 0.184577582104294 ] # b* - [ 0.131960621414548, 0.184837820496004, 0.000000000000000 ] # c*unit_cell: lattice: - [ 7.578018270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.410148190000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.417776030000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.263330200000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.000000000000000, 0.750000000000000, 0.736669800000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.500000000000000, 0.750000000000000, 0.763330200000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 4 coordinates: [ 0.500000000000000, 0.250000000000000, 0.236669800000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ti # 5 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 5 - symbol: Ti # 6 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 6 - symbol: Ti # 7 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 5 - symbol: Ti # 8 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 6 - symbol: O # 9 coordinates: [ 0.202259640000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.500000000000000, 0.250000000000000, 0.662445990000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.702259640000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.797740360000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.297740360000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.750000000000000, 0.337554010000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.702259640000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.750000000000000, 0.162445990000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 17 coordinates: [ 0.202259640000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 18 coordinates: [ 0.297740360000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 19 coordinates: [ 0.797740360000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.250000000000000, 0.837554010000000 ] mass: 15.999400 reduced_to: 14supercell: lattice: - [ 7.578018270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.820296380000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.835552059999999 ] # c points: - symbol: Ca # 1 coordinates: [ 0.000000000000000, 0.125000000000000, 0.131665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.000000000000000, 0.625000000000000, 0.131665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 3 coordinates: [ 0.000000000000000, 0.125000000000000, 0.631665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 4 coordinates: [ 0.000000000000000, 0.625000000000000, 0.631665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 5 coordinates: [ 0.000000000000000, 0.375000000000000, 0.368334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.000000000000000, 0.875000000000000, 0.368334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 7 coordinates: [ 0.000000000000000, 0.375000000000000, 0.868334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 8 coordinates: [ 0.000000000000000, 0.875000000000000, 0.868334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 9 coordinates: [ 0.500000000000000, 0.375000000000000, 0.381665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 10 coordinates: [ 0.500000000000000, 0.875000000000000, 0.381665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 11 coordinates: [ 0.500000000000000, 0.375000000000000, 0.881665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 12 coordinates: [ 0.500000000000000, 0.875000000000000, 0.881665100000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 13 coordinates: [ 0.500000000000000, 0.125000000000000, 0.118334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 14 coordinates: [ 0.500000000000000, 0.625000000000000, 0.118334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 15 coordinates: [ 0.500000000000000, 0.125000000000000, 0.618334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 16 coordinates: [ 0.500000000000000, 0.625000000000000, 0.618334900000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ti # 17 coordinates: [ 0.250000000000000, 0.375000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 18 coordinates: [ 0.250000000000000, 0.875000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 19 coordinates: [ 0.250000000000000, 0.375000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 20 coordinates: [ 0.250000000000000, 0.875000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 21 coordinates: [ 0.250000000000000, 0.125000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 22 coordinates: [ 0.250000000000000, 0.625000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 23 coordinates: [ 0.250000000000000, 0.125000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 24 coordinates: [ 0.250000000000000, 0.625000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 25 coordinates: [ 0.750000000000000, 0.125000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 26 coordinates: [ 0.750000000000000, 0.625000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 27 coordinates: [ 0.750000000000000, 0.125000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 28 coordinates: [ 0.750000000000000, 0.625000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 17 - symbol: Ti # 29 coordinates: [ 0.750000000000000, 0.375000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 30 coordinates: [ 0.750000000000000, 0.875000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 31 coordinates: [ 0.750000000000000, 0.375000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 32 coordinates: [ 0.750000000000000, 0.875000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: O # 33 coordinates: [ 0.202259640000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.202259640000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.202259640000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.202259640000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.125000000000000, 0.331222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.625000000000000, 0.331222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.500000000000000, 0.125000000000000, 0.831222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.625000000000000, 0.831222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.702259640000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.702259640000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.702259640000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.702259640000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.797740360000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.797740360000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.797740360000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.797740360000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.297740360000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.297740360000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.297740360000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.297740360000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.375000000000000, 0.168777005000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.875000000000000, 0.168777005000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.500000000000000, 0.375000000000000, 0.668777005000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.875000000000000, 0.668777005000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.702259640000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 58 coordinates: [ 0.702259640000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 59 coordinates: [ 0.702259640000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 60 coordinates: [ 0.702259640000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.375000000000000, 0.081222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.000000000000000, 0.875000000000000, 0.081222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.375000000000000, 0.581222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.875000000000000, 0.581222995000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 65 coordinates: [ 0.202259640000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.202259640000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 67 coordinates: [ 0.202259640000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 68 coordinates: [ 0.202259640000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 69 coordinates: [ 0.297740360000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.297740360000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 71 coordinates: [ 0.297740360000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 72 coordinates: [ 0.297740360000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 73 coordinates: [ 0.797740360000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.797740360000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.797740360000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.797740360000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.125000000000000, 0.418777005000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.625000000000000, 0.418777005000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.125000000000000, 0.918777005000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.625000000000000, 0.918777005000000 ] mass: 15.999400 reduced_to: 53born_effective_charge:- # 1 (Ca) - [ 2.372033260000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.469873150000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.549538080000000 ]- # 2 (Ca) - [ 2.372033260000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.469873150000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.549538080000000 ]- # 3 (Ti) - [ 7.200121870000000, -0.000000000000000, 0.760749570000000 ] - [ -0.000000000000000, 7.090479070000001, 0.000000000000000 ] - [ -1.068480270000000, -0.000000000000000, 7.148579940000001 ]- # 4 (Ti) - [ 7.200121870000000, -0.000000000000000, -0.760749570000000 ] - [ -0.000000000000000, 7.090479070000002, -0.000000000000000 ] - [ 1.068480270000000, 0.000000000000000, 7.148579940000002 ]- # 5 (O) - [ -1.977297110000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.868545340000000, 1.861716630000000 ] - [ -0.000000000000000, 1.743048400000000, -3.764025630000000 ]- # 6 (O) - [ -5.617560920000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -1.823261560000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.170066760000000 ]- # 7 (O) - [ -1.977297110000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.868545340000001, -1.861716630000001 ] - [ 0.000000000000000, -1.743048400000000, -3.764025630000001 ]- # 8 (O) - [ -1.977297110000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.868545340000001, 1.861716630000001 ] - [ -0.000000000000000, 1.743048400000000, -3.764025630000001 ]- # 9 (O) - [ -1.977297110000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.868545340000001, -1.861716630000001 ] - [ 0.000000000000000, -1.743048400000000, -3.764025630000001 ]- # 10 (O) - [ -5.617560920000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -1.823261560000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.170066760000000 ]dielectric_constant: - [ 6.488099560000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.475043530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 6.390786350000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0576781100000000, 0.0000000000000000, -0.0006600600000000 ] - [ -0.0012796500000000, 0.0000000000000000, -0.0000460900000000 ] - [ -0.0009957700000000, 0.0000000000000000, -0.0000389300000000 ] - [ -0.0004197900000000, 0.0000000000000000, -0.0000435300000000 ] - [ -0.0036775300000000, -0.0000049000000000, 0.0000391800000000 ] - [ -0.0036775300000000, 0.0000049000000000, 0.0000391800000000 ] - [ -0.0018950600000000, -0.0000090400000000, 0.0000526700000000 ] - [ -0.0018950600000000, 0.0000090400000000, 0.0000526700000000 ] - [ 0.0024019500000000, -0.0000006800000000, -0.0000429700000000 ] - [ 0.0024019500000000, 0.0000006800000000, -0.0000429700000000 ] - [ 0.0024006800000000, 0.0000036800000000, -0.0000479100000000 ] - [ 0.0024006800000000, -0.0000036800000000, -0.0000479100000000 ] - [ 0.0172948100000000, 0.0000000000000000, 0.0000378300000000 ] - [ 0.0011487200000000, 0.0000000000000000, 0.0000438800000000 ] - [ 0.0010747300000000, 0.0000000000000000, 0.0000448900000000 ] - [ 0.0004367500000000, 0.0000000000000000, 0.0000441700000000 ] - [ 0.0039543000000000, 0.0177435500000000, -0.0025598900000000 ] - [ 0.0039543000000000, -0.0177435500000000, -0.0025598900000000 ] - [ -0.0000985800000000, 0.0013295100000000, 0.0003882400000000 ] - [ -0.0000985800000000, -0.0013295100000000, 0.0003882400000000 ] - [ 0.0073892800000000, 0.0000000000000000, 0.0188906500000000 ] - [ 0.0004578400000000, 0.0000000000000000, 0.0017613600000000 ] - [ -0.0001061800000000, 0.0000000000000000, -0.0148576100000000 ] - [ -0.0003480000000000, 0.0000000000000000, -0.0012776700000000 ] - [ 0.0073851600000000, 0.0000000000000000, -0.0187594400000000 ] - [ 0.0004527100000000, 0.0000000000000000, -0.0017585400000000 ] - [ 0.0000255000000000, 0.0000000000000000, 0.0147515100000000 ] - [ -0.0003396100000000, 0.0000000000000000, 0.0012776600000000 ] - [ 0.0039929000000000, -0.0176201800000000, 0.0025559500000000 ] - [ 0.0039929000000000, 0.0176201800000000, 0.0025559500000000 ] - [ -0.0001059400000000, -0.0013333400000000, -0.0003800000000000 ] - [ -0.0001059400000000, 0.0013333400000000, -0.0003800000000000 ] - [ 0.0050109200000000, -0.0003009400000000, 0.0017087500000000 ] - [ 0.0003923600000000, 0.0022818500000000, -0.0009495800000000 ] - [ 0.0005768400000000, -0.0006462000000000, 0.0013440000000000 ] - [ 0.0001030500000000, 0.0001003200000000, 0.0000709300000000 ] - [ -0.0064958400000000, 0.0000000000000000, -0.0001073200000000 ] - [ -0.0011773400000000, 0.0000000000000000, -0.0000920800000000 ] - [ -0.0036673100000000, 0.0000000000000000, -0.0000934400000000 ] - [ -0.0008632100000000, 0.0000000000000000, -0.0000975100000000 ] - [ -0.0047912100000000, 0.0042925000000000, -0.0056772900000000 ] - [ -0.0002975600000000, -0.0017620100000000, -0.0011513600000000 ] - [ -0.0007375500000000, 0.0011570600000000, 0.0023179100000000 ] - [ -0.0002269700000000, -0.0000803700000000, 0.0002105800000000 ] - [ 0.0048488700000000, 0.0005030200000000, -0.0014737800000000 ] - [ 0.0005062200000000, -0.0022773400000000, 0.0009504200000000 ] - [ 0.0006768400000000, 0.0006533000000000, -0.0013441300000000 ] - [ 0.0002175600000000, -0.0001012600000000, -0.0000699100000000 ] - [ -0.0046576200000000, -0.0043210100000000, 0.0057393800000000 ] - [ -0.0001761800000000, 0.0017684200000000, 0.0011521400000000 ] - [ -0.0006189400000000, -0.0011599000000000, -0.0023200600000000 ] - [ -0.0001097900000000, 0.0000785900000000, -0.0002111800000000 ] - [ -0.0052040800000000, -0.0000064300000000, 0.0000921000000000 ] - [ -0.0052040800000000, 0.0000064300000000, 0.0000921000000000 ] - [ -0.0009992900000000, 0.0000005500000000, 0.0000913400000000 ] - [ -0.0009992900000000, -0.0000005500000000, 0.0000913400000000 ] - [ -0.0047912100000000, -0.0042925000000000, -0.0056772900000000 ] - [ -0.0002975600000000, 0.0017620100000000, -0.0011513600000000 ] - [ -0.0007375500000000, -0.0011570600000000, 0.0023179100000000 ] - [ -0.0002269700000000, 0.0000803700000000, 0.0002105800000000 ] - [ 0.0080756400000000, 0.0000307700000000, -0.0000867800000000 ] - [ 0.0080756400000000, -0.0000307700000000, -0.0000867800000000 ] - [ 0.0010289000000000, 0.0000002200000000, -0.0000967100000000 ] - [ 0.0010289000000000, -0.0000002200000000, -0.0000967100000000 ] - [ 0.0050109200000000, 0.0003009400000000, 0.0017087500000000 ] - [ 0.0003923600000000, -0.0022818500000000, -0.0009495800000000 ] - [ 0.0005768400000000, 0.0006462000000000, 0.0013440000000000 ] - [ 0.0001030500000000, -0.0001003200000000, 0.0000709300000000 ] - [ -0.0046576200000000, 0.0043210100000000, 0.0057393800000000 ] - [ -0.0001761800000000, -0.0017684200000000, 0.0011521400000000 ] - [ -0.0006189400000000, 0.0011599000000000, -0.0023200600000000 ] - [ -0.0001097900000000, -0.0000785900000000, -0.0002111800000000 ] - [ 0.0048488700000000, -0.0005030200000000, -0.0014737800000000 ] - [ 0.0005062200000000, 0.0022773400000000, 0.0009504200000000 ] - [ 0.0006768400000000, -0.0006533000000000, -0.0013441300000000 ] - [ 0.0002175600000000, 0.0001012600000000, -0.0000699100000000 ] - [ 0.0062191700000000, 0.0000000000000000, 0.0000964000000000 ] - [ 0.0010540600000000, 0.0000000000000000, 0.0000936100000000 ] - [ 0.0082182300000000, 0.0000000000000000, 0.0000917300000000 ] - [ 0.0010323700000000, 0.0000000000000000, 0.0000944800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0480183400000000, -0.0004538900000000 ] - [ 0.0000000000000000, 0.0057967000000000, -0.0000430100000000 ] - [ 0.0000000000000000, -0.0004643000000000, -0.0000375200000000 ] - [ 0.0000000000000000, 0.0004658600000000, -0.0000444500000000 ] - [ 0.0000000000000000, 0.0037510200000000, 0.0059396000000000 ] - [ 0.0000000000000000, 0.0037230000000000, -0.0057857200000000 ] - [ 0.0000000000000000, 0.0016149100000000, -0.0053904500000000 ] - [ 0.0000000000000000, 0.0016239400000000, 0.0054351200000000 ] - [ 0.0000000000000000, 0.0007068200000000, 0.0021788400000000 ] - [ 0.0000000000000000, 0.0007121800000000, -0.0022635700000000 ] - [ 0.0000000000000000, 0.0007044700000000, -0.0019649400000000 ] - [ 0.0000000000000000, 0.0007123500000000, 0.0018731400000000 ] - [ 0.0000000000000000, -0.0063724600000000, 0.0000400600000000 ] - [ 0.0000000000000000, 0.0030342000000000, 0.0000439200000000 ] - [ 0.0000000000000000, -0.0005098500000000, 0.0000454900000000 ] - [ 0.0000000000000000, 0.0004441400000000, 0.0000429000000000 ] - [ 0.0162490000000000, 0.0151900800000000, 0.0001745300000000 ] - [ -0.0160244400000000, 0.0150709700000000, -0.0001576000000000 ] - [ 0.0001002700000000, 0.0001560700000000, 0.0001145600000000 ] - [ -0.0001064200000000, 0.0001762900000000, -0.0001045200000000 ] - [ -0.0000270500000000, -0.0168695200000000, -0.0000276700000000 ] - [ -0.0000020600000000, 0.0053151100000000, 0.0000091200000000 ] - [ -0.0000585200000000, -0.0107775800000000, 0.0000312900000000 ] - [ -0.0000072500000000, 0.0054120900000000, -0.0000097200000000 ] - [ 0.0000270500000000, -0.0168695200000000, -0.0000276700000000 ] - [ 0.0000020600000000, 0.0053151100000000, 0.0000091200000000 ] - [ 0.0000585200000000, -0.0107775800000000, 0.0000312900000000 ] - [ 0.0000072500000000, 0.0054120900000000, -0.0000097200000000 ] - [ -0.0162490000000000, 0.0151900800000000, 0.0001745300000000 ] - [ 0.0160244400000000, 0.0150709700000000, -0.0001576000000000 ] - [ -0.0001002700000000, 0.0001560700000000, 0.0001145600000000 ] - [ 0.0001064200000000, 0.0001762900000000, -0.0001045200000000 ] - [ 0.0003602700000000, 0.0102861000000000, -0.0020841300000000 ] - [ 0.0005721200000000, -0.0046156000000000, 0.0031776700000000 ] - [ -0.0000953500000000, 0.0012612500000000, -0.0000249300000000 ] - [ 0.0001627900000000, -0.0009273000000000, -0.0000419400000000 ] - [ 0.0000000000000000, 0.0036405700000000, -0.0001050700000000 ] - [ 0.0000000000000000, -0.0014797200000000, -0.0001039900000000 ] - [ 0.0000000000000000, 0.0022557400000000, -0.0001064300000000 ] - [ 0.0000000000000000, -0.0013295500000000, -0.0000986200000000 ] - [ 0.0040516800000000, 0.0026899700000000, 0.0057531100000000 ] - [ -0.0010586700000000, -0.0043047100000000, -0.0031585100000000 ] - [ -0.0000891500000000, 0.0013665500000000, -0.0004103300000000 ] - [ 0.0000205100000000, -0.0008641400000000, 0.0000145300000000 ] - [ -0.0003602700000000, 0.0102861000000000, -0.0020841300000000 ] - [ -0.0005721200000000, -0.0046156000000000, 0.0031776700000000 ] - [ 0.0000953500000000, 0.0012612500000000, -0.0000249300000000 ] - [ -0.0001627900000000, -0.0009273000000000, -0.0000419400000000 ] - [ -0.0040516800000000, 0.0026899700000000, 0.0057531100000000 ] - [ 0.0010586700000000, -0.0043047100000000, -0.0031585100000000 ] - [ 0.0000891500000000, 0.0013665500000000, -0.0004103300000000 ] - [ -0.0000205100000000, -0.0008641400000000, 0.0000145300000000 ] - [ 0.0000000000000000, -0.0012603400000000, -0.0006500000000000 ] - [ 0.0000000000000000, -0.0012690600000000, 0.0008468600000000 ] - [ 0.0000000000000000, 0.0000135000000000, 0.0004928500000000 ] - [ 0.0000000000000000, 0.0000097200000000, -0.0002949500000000 ] - [ -0.0041571200000000, 0.0026285200000000, -0.0057304500000000 ] - [ 0.0009547800000000, -0.0043105900000000, 0.0031686700000000 ] - [ -0.0000251400000000, 0.0013645300000000, 0.0004137000000000 ] - [ -0.0001340600000000, -0.0008558900000000, -0.0000235500000000 ] - [ 0.0000000000000000, -0.0102916600000000, 0.0007824800000000 ] - [ 0.0000000000000000, -0.0103936000000000, -0.0009667100000000 ] - [ 0.0000000000000000, 0.0000336200000000, -0.0007524500000000 ] - [ 0.0000000000000000, 0.0000302200000000, 0.0005536200000000 ] - [ -0.0002546200000000, 0.0100636300000000, 0.0022349100000000 ] - [ -0.0006926400000000, -0.0046195600000000, -0.0031855200000000 ] - [ -0.0000100100000000, 0.0012437400000000, 0.0000104900000000 ] - [ -0.0002736400000000, -0.0009228800000000, 0.0000471300000000 ] - [ 0.0041571200000000, 0.0026285200000000, -0.0057304500000000 ] - [ -0.0009547800000000, -0.0043105900000000, 0.0031686700000000 ] - [ 0.0000251400000000, 0.0013645300000000, 0.0004137000000000 ] - [ 0.0001340600000000, -0.0008558900000000, -0.0000235500000000 ] - [ 0.0002546200000000, 0.0100636300000000, 0.0022349100000000 ] - [ 0.0006926400000000, -0.0046195600000000, -0.0031855200000000 ] - [ 0.0000100100000000, 0.0012437400000000, 0.0000104900000000 ] - [ 0.0002736400000000, -0.0009228800000000, 0.0000471300000000 ] - [ 0.0000000000000000, 0.0035910600000000, 0.0001058700000000 ] - [ 0.0000000000000000, -0.0013409100000000, 0.0000939400000000 ] - [ 0.0000000000000000, 0.0054645200000000, 0.0001089500000000 ] - [ 0.0000000000000000, -0.0019130300000000, 0.0000964400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0820177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056186000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004689900000000 ] - [ 0.0000000000000000, 0.0058867500000000, 0.0034321900000000 ] - [ 0.0000000000000000, -0.0058867500000000, 0.0034321900000000 ] - [ 0.0000000000000000, -0.0053804700000000, 0.0026089400000000 ] - [ 0.0000000000000000, 0.0053804700000000, 0.0026089400000000 ] - [ 0.0000000000000000, 0.0019155500000000, 0.0008195300000000 ] - [ 0.0000000000000000, -0.0019155500000000, 0.0008195300000000 ] - [ 0.0000000000000000, -0.0022114800000000, 0.0008302700000000 ] - [ 0.0000000000000000, 0.0022114800000000, 0.0008302700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069065800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004859300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032932500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005094800000000 ] - [ 0.0005318700000000, 0.0013939800000000, -0.0153128800000000 ] - [ 0.0005318700000000, -0.0013939800000000, -0.0153128800000000 ] - [ -0.0006425300000000, -0.0003986800000000, 0.0056412600000000 ] - [ -0.0006425300000000, 0.0003986800000000, 0.0056412600000000 ] - [ 0.0167548300000000, 0.0000000000000000, 0.0169050500000000 ] - [ 0.0003553200000000, 0.0000000000000000, 0.0006967600000000 ] - [ -0.0179314400000000, 0.0000000000000000, 0.0156599400000000 ] - [ -0.0001042000000000, 0.0000000000000000, -0.0002705700000000 ] - [ -0.0167548300000000, 0.0000000000000000, 0.0169050500000000 ] - [ -0.0003553200000000, 0.0000000000000000, 0.0006967600000000 ] - [ 0.0179314400000000, 0.0000000000000000, 0.0156599400000000 ] - [ 0.0001042000000000, 0.0000000000000000, -0.0002705700000000 ] - [ -0.0005318700000000, 0.0013939800000000, -0.0153128800000000 ] - [ -0.0005318700000000, -0.0013939800000000, -0.0153128800000000 ] - [ 0.0006425300000000, -0.0003986800000000, 0.0056412600000000 ] - [ 0.0006425300000000, 0.0003986800000000, 0.0056412600000000 ] - [ -0.0002967800000000, -0.0025875600000000, 0.0097553300000000 ] - [ -0.0001149400000000, 0.0007722400000000, 0.0012708800000000 ] - [ 0.0007356500000000, 0.0034399300000000, -0.0052187700000000 ] - [ 0.0001724200000000, -0.0002477300000000, -0.0007706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001946500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001116400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000533600000000 ] - [ -0.0046556500000000, 0.0066009800000000, 0.0035643900000000 ] - [ 0.0001461100000000, 0.0000669500000000, 0.0014813600000000 ] - [ 0.0007122300000000, -0.0029060800000000, -0.0042984300000000 ] - [ -0.0001482900000000, -0.0001201700000000, -0.0010335100000000 ] - [ 0.0002967800000000, -0.0025875600000000, 0.0097553300000000 ] - [ 0.0001149400000000, 0.0007722400000000, 0.0012708800000000 ] - [ -0.0007356500000000, 0.0034399300000000, -0.0052187700000000 ] - [ -0.0001724200000000, -0.0002477300000000, -0.0007706800000000 ] - [ 0.0046556500000000, 0.0066009800000000, 0.0035643900000000 ] - [ -0.0001461100000000, 0.0000669500000000, 0.0014813600000000 ] - [ -0.0007122300000000, -0.0029060800000000, -0.0042984300000000 ] - [ 0.0001482900000000, -0.0001201700000000, -0.0010335100000000 ] - [ 0.0000000000000000, -0.0006030000000000, 0.0030410000000000 ] - [ 0.0000000000000000, 0.0006030000000000, 0.0030410000000000 ] - [ 0.0000000000000000, 0.0002951800000000, -0.0015056200000000 ] - [ 0.0000000000000000, -0.0002951800000000, -0.0015056200000000 ] - [ -0.0046556500000000, -0.0066009800000000, 0.0035643900000000 ] - [ 0.0001461100000000, -0.0000669500000000, 0.0014813600000000 ] - [ 0.0007122300000000, 0.0029060800000000, -0.0042984300000000 ] - [ -0.0001482900000000, 0.0001201700000000, -0.0010335100000000 ] - [ 0.0000000000000000, 0.0024289800000000, 0.0054524700000000 ] - [ 0.0000000000000000, -0.0024289800000000, 0.0054524700000000 ] - [ 0.0000000000000000, -0.0001482700000000, -0.0020432900000000 ] - [ 0.0000000000000000, 0.0001482700000000, -0.0020432900000000 ] - [ -0.0002967800000000, 0.0025875600000000, 0.0097553300000000 ] - [ -0.0001149400000000, -0.0007722400000000, 0.0012708800000000 ] - [ 0.0007356500000000, -0.0034399300000000, -0.0052187700000000 ] - [ 0.0001724200000000, 0.0002477300000000, -0.0007706800000000 ] - [ 0.0046556500000000, -0.0066009800000000, 0.0035643900000000 ] - [ -0.0001461100000000, -0.0000669500000000, 0.0014813600000000 ] - [ -0.0007122300000000, 0.0029060800000000, -0.0042984300000000 ] - [ 0.0001482900000000, 0.0001201700000000, -0.0010335100000000 ] - [ 0.0002967800000000, 0.0025875600000000, 0.0097553300000000 ] - [ 0.0001149400000000, -0.0007722400000000, 0.0012708800000000 ] - [ -0.0007356500000000, -0.0034399300000000, -0.0052187700000000 ] - [ -0.0001724200000000, 0.0002477300000000, -0.0007706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000267600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0212480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002127400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0832433600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006807300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005565700000000 ] - [ 0.0000000000000000, -0.0058378700000000, -0.0033493900000000 ] - [ 0.0000000000000000, 0.0058378700000000, -0.0033493900000000 ] - [ 0.0000000000000000, 0.0054490000000000, -0.0025337000000000 ] - [ 0.0000000000000000, -0.0054490000000000, -0.0025337000000000 ] - [ 0.0000000000000000, -0.0019249900000000, -0.0009184800000000 ] - [ 0.0000000000000000, 0.0019249900000000, -0.0009184800000000 ] - [ 0.0000000000000000, 0.0022255700000000, -0.0009079300000000 ] - [ 0.0000000000000000, -0.0022255700000000, -0.0009079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070135400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005695600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032281400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004277100000000 ] - [ -0.0006152500000000, -0.0014518200000000, 0.0153711700000000 ] - [ -0.0006152500000000, 0.0014518200000000, 0.0153711700000000 ] - [ 0.0006383900000000, 0.0004240800000000, -0.0056631800000000 ] - [ 0.0006383900000000, -0.0004240800000000, -0.0056631800000000 ] - [ -0.0164998200000000, 0.0000000000000000, -0.0168298100000000 ] - [ -0.0003632800000000, 0.0000000000000000, -0.0007263600000000 ] - [ 0.0181861900000000, 0.0000000000000000, -0.0158182500000000 ] - [ 0.0001017100000000, 0.0000000000000000, 0.0002944400000000 ] - [ 0.0164998200000000, 0.0000000000000000, -0.0168298100000000 ] - [ 0.0003632800000000, 0.0000000000000000, -0.0007263600000000 ] - [ -0.0181861900000000, 0.0000000000000000, -0.0158182500000000 ] - [ -0.0001017100000000, 0.0000000000000000, 0.0002944400000000 ] - [ 0.0006152500000000, -0.0014518200000000, 0.0153711700000000 ] - [ 0.0006152500000000, 0.0014518200000000, 0.0153711700000000 ] - [ -0.0006383900000000, 0.0004240800000000, -0.0056631800000000 ] - [ -0.0006383900000000, -0.0004240800000000, -0.0056631800000000 ] - [ 0.0004244200000000, 0.0027717600000000, -0.0095393000000000 ] - [ 0.0000054600000000, -0.0007784400000000, -0.0012701200000000 ] - [ -0.0008612600000000, -0.0034607300000000, 0.0052481100000000 ] - [ -0.0002912800000000, 0.0002629800000000, 0.0007583400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001583300000000 ] - [ 0.0045878900000000, -0.0066507600000000, -0.0036409900000000 ] - [ -0.0002640100000000, -0.0000626000000000, -0.0014860200000000 ] - [ -0.0008084300000000, 0.0029000400000000, 0.0043131800000000 ] - [ 0.0000375700000000, 0.0001295100000000, 0.0010528600000000 ] - [ -0.0004244200000000, 0.0027717600000000, -0.0095393000000000 ] - [ -0.0000054600000000, -0.0007784400000000, -0.0012701200000000 ] - [ 0.0008612600000000, -0.0034607300000000, 0.0052481100000000 ] - [ 0.0002912800000000, 0.0002629800000000, 0.0007583400000000 ] - [ -0.0045878900000000, -0.0066507600000000, -0.0036409900000000 ] - [ 0.0002640100000000, -0.0000626000000000, -0.0014860200000000 ] - [ 0.0008084300000000, 0.0029000400000000, 0.0043131800000000 ] - [ -0.0000375700000000, 0.0001295100000000, 0.0010528600000000 ] - [ 0.0000000000000000, 0.0006018300000000, -0.0028627200000000 ] - [ 0.0000000000000000, -0.0006018300000000, -0.0028627200000000 ] - [ 0.0000000000000000, -0.0003002600000000, 0.0017113900000000 ] - [ 0.0000000000000000, 0.0003002600000000, 0.0017113900000000 ] - [ 0.0045878900000000, 0.0066507600000000, -0.0036409900000000 ] - [ -0.0002640100000000, 0.0000626000000000, -0.0014860200000000 ] - [ -0.0008084300000000, -0.0029000400000000, 0.0043131800000000 ] - [ 0.0000375700000000, -0.0001295100000000, 0.0010528600000000 ] - [ 0.0000000000000000, -0.0023757500000000, -0.0056867600000000 ] - [ 0.0000000000000000, 0.0023757500000000, -0.0056867600000000 ] - [ 0.0000000000000000, 0.0001413500000000, 0.0018565100000000 ] - [ 0.0000000000000000, -0.0001413500000000, 0.0018565100000000 ] - [ 0.0004244200000000, -0.0027717600000000, -0.0095393000000000 ] - [ 0.0000054600000000, 0.0007784400000000, -0.0012701200000000 ] - [ -0.0008612600000000, 0.0034607300000000, 0.0052481100000000 ] - [ -0.0002912800000000, -0.0002629800000000, 0.0007583400000000 ] - [ -0.0045878900000000, 0.0066507600000000, -0.0036409900000000 ] - [ 0.0002640100000000, 0.0000626000000000, -0.0014860200000000 ] - [ 0.0008084300000000, -0.0029000400000000, 0.0043131800000000 ] - [ -0.0000375700000000, -0.0001295100000000, 0.0010528600000000 ] - [ -0.0004244200000000, -0.0027717600000000, -0.0095393000000000 ] - [ -0.0000054600000000, 0.0007784400000000, -0.0012701200000000 ] - [ 0.0008612600000000, 0.0034607300000000, 0.0052481100000000 ] - [ 0.0002912800000000, -0.0002629800000000, 0.0007583400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099013500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0228230200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000247500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039807100000000, 0.0160351700000000, 0.0005489900000000 ] - [ 0.0039807100000000, -0.0160351700000000, 0.0005489900000000 ] - [ -0.0000992500000000, 0.0000989600000000, -0.0006901900000000 ] - [ -0.0000992500000000, -0.0000989600000000, -0.0006901900000000 ] - [ 0.0073845800000000, 0.0000000000000000, -0.0164847100000000 ] - [ 0.0004575500000000, 0.0000000000000000, -0.0003133500000000 ] - [ -0.0000308200000000, 0.0000000000000000, 0.0179850700000000 ] - [ -0.0003439300000000, 0.0000000000000000, 0.0001481100000000 ] - [ -0.0000491300000000, 0.0000000000000000, 0.0181421700000000 ] - [ -0.0003450000000000, 0.0000000000000000, 0.0000623200000000 ] - [ 0.0073875100000000, 0.0000000000000000, -0.0167667800000000 ] - [ 0.0004533800000000, 0.0000000000000000, -0.0004031000000000 ] - [ 0.0039657000000000, -0.0162378200000000, 0.0005955100000000 ] - [ 0.0039657000000000, 0.0162378200000000, 0.0005955100000000 ] - [ -0.0001054200000000, -0.0001042700000000, -0.0006001100000000 ] - [ -0.0001054200000000, 0.0001042700000000, -0.0006001100000000 ] - [ -0.1716483600000000, 0.0000000000000000, 0.0109258500000000 ] - [ -0.0025628900000000, 0.0000000000000000, 0.0061806500000000 ] - [ -0.0004216700000000, 0.0000000000000000, -0.0039930200000000 ] - [ 0.0007771300000000, 0.0000000000000000, -0.0033432700000000 ] - [ -0.0050179900000000, 0.0084225100000000, -0.0093971700000000 ] - [ -0.0050179900000000, -0.0084225100000000, -0.0093971700000000 ] - [ -0.0049822800000000, -0.0083381600000000, -0.0093119500000000 ] - [ -0.0049822800000000, 0.0083381600000000, -0.0093119500000000 ] - [ 0.0027874800000000, -0.0001322600000000, -0.0006536100000000 ] - [ 0.0027874800000000, 0.0001322600000000, -0.0006536100000000 ] - [ 0.0027866600000000, 0.0001058900000000, -0.0006705600000000 ] - [ 0.0027866600000000, -0.0001058900000000, -0.0006705600000000 ] - [ 0.1456370900000000, 0.0000000000000000, -0.0309830100000000 ] - [ 0.0014062500000000, 0.0000000000000000, 0.0019334300000000 ] - [ 0.0016834700000000, 0.0000000000000000, 0.0001274200000000 ] - [ -0.0002162100000000, 0.0000000000000000, -0.0016441800000000 ] - [ 0.0161102600000000, 0.0001153000000000, -0.0001536800000000 ] - [ 0.0007854900000000, 0.0032232900000000, -0.0012116500000000 ] - [ 0.0016280500000000, -0.0014584900000000, 0.0029109900000000 ] - [ 0.0005514200000000, -0.0017268800000000, 0.0023184800000000 ] - [ 0.0019593400000000, 0.0008094700000000, -0.0017669300000000 ] - [ 0.0019593400000000, -0.0008094700000000, -0.0017669300000000 ] - [ -0.0020250000000000, 0.0007459700000000, 0.0007554800000000 ] - [ -0.0020250000000000, -0.0007459700000000, 0.0007554800000000 ] - [ -0.0149771000000000, 0.0004762300000000, 0.0032474300000000 ] - [ -0.0009645000000000, -0.0006846400000000, -0.0001932700000000 ] - [ -0.0013301900000000, 0.0010374400000000, -0.0000098200000000 ] - [ -0.0004358500000000, 0.0004525800000000, 0.0008571800000000 ] - [ -0.0148702600000000, -0.0004879800000000, 0.0032442200000000 ] - [ -0.0008468300000000, 0.0006757000000000, -0.0001945700000000 ] - [ -0.0012087500000000, -0.0010236300000000, 0.0000002200000000 ] - [ -0.0003245800000000, -0.0004556900000000, 0.0008624300000000 ] - [ 0.0161355000000000, 0.0002081600000000, 0.0001986500000000 ] - [ 0.0009102300000000, -0.0032057600000000, -0.0012054600000000 ] - [ 0.0017639200000000, 0.0014712500000000, 0.0029338500000000 ] - [ 0.0006806400000000, 0.0017267400000000, 0.0023194100000000 ] - [ 0.0008780100000000, 0.0000000000000000, 0.0142968300000000 ] - [ 0.0001181000000000, 0.0000000000000000, -0.0006303200000000 ] - [ -0.0000597400000000, 0.0000000000000000, 0.0016275400000000 ] - [ -0.0000875700000000, 0.0000000000000000, 0.0007805400000000 ] - [ -0.0009645000000000, 0.0006846400000000, -0.0001932700000000 ] - [ -0.0149771000000000, -0.0004762300000000, 0.0032474300000000 ] - [ -0.0004358500000000, -0.0004525800000000, 0.0008571800000000 ] - [ -0.0013301900000000, -0.0010374400000000, -0.0000098200000000 ] - [ -0.0038264800000000, 0.0000000000000000, 0.0129342100000000 ] - [ 0.0001102900000000, 0.0000000000000000, -0.0008225700000000 ] - [ -0.0000719700000000, 0.0000000000000000, 0.0014318700000000 ] - [ -0.0000843900000000, 0.0000000000000000, 0.0005853400000000 ] - [ 0.0007854900000000, -0.0032232900000000, -0.0012116500000000 ] - [ 0.0161102600000000, -0.0001153000000000, -0.0001536800000000 ] - [ 0.0005514200000000, 0.0017268800000000, 0.0023184800000000 ] - [ 0.0016280500000000, 0.0014584900000000, 0.0029109900000000 ] - [ 0.0009102300000000, 0.0032057600000000, -0.0012054600000000 ] - [ 0.0161355000000000, -0.0002081600000000, 0.0001986500000000 ] - [ 0.0006806400000000, -0.0017267400000000, 0.0023194100000000 ] - [ 0.0017639200000000, -0.0014712500000000, 0.0029338500000000 ] - [ -0.0008468300000000, -0.0006757000000000, -0.0001945700000000 ] - [ -0.0148702600000000, 0.0004879800000000, 0.0032442200000000 ] - [ -0.0003245800000000, 0.0004556900000000, 0.0008624300000000 ] - [ -0.0012087500000000, 0.0010236300000000, 0.0000002200000000 ] - [ -0.0020311200000000, -0.0007460900000000, 0.0009489700000000 ] - [ -0.0020311200000000, 0.0007460900000000, 0.0009489700000000 ] - [ 0.0019011300000000, -0.0008093200000000, -0.0015713400000000 ] - [ 0.0019011300000000, 0.0008093200000000, -0.0015713400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0175576000000000, 0.0150401400000000, 0.0013701400000000 ] - [ -0.0178024500000000, 0.0152224600000000, -0.0014783000000000 ] - [ 0.0013307500000000, 0.0001660000000000, -0.0004545700000000 ] - [ -0.0013353800000000, 0.0001661900000000, 0.0003639500000000 ] - [ -0.0000227600000000, -0.0168696000000000, 0.0000372900000000 ] - [ -0.0000022000000000, 0.0053108500000000, 0.0000506900000000 ] - [ -0.0000112200000000, -0.0107778600000000, 0.0000738000000000 ] - [ -0.0000019500000000, 0.0054103900000000, 0.0000400200000000 ] - [ 0.0000112200000000, -0.0107778600000000, -0.0000738000000000 ] - [ 0.0000019500000000, 0.0054103900000000, -0.0000400200000000 ] - [ 0.0000227600000000, -0.0168696000000000, -0.0000372900000000 ] - [ 0.0000022000000000, 0.0053108500000000, -0.0000506900000000 ] - [ -0.0175576000000000, 0.0150401400000000, -0.0013701400000000 ] - [ 0.0178024500000000, 0.0152224600000000, 0.0014783000000000 ] - [ -0.0013307500000000, 0.0001660000000000, 0.0004545700000000 ] - [ 0.0013353800000000, 0.0001661900000000, -0.0003639500000000 ] - [ 0.0000000000000000, -0.1956901300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0269675000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0230892600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0173110000000000, 0.0000000000000000 ] - [ -0.0083618000000000, 0.0359730500000000, -0.0374796700000000 ] - [ 0.0084020000000000, 0.0360778000000000, 0.0376328100000000 ] - [ 0.0083618000000000, 0.0359730500000000, 0.0374796700000000 ] - [ -0.0084020000000000, 0.0360778000000000, -0.0376328100000000 ] - [ -0.0001180800000000, 0.0006560200000000, -0.0020498100000000 ] - [ 0.0001166500000000, 0.0006146100000000, 0.0020229300000000 ] - [ 0.0001180800000000, 0.0006560200000000, 0.0020498100000000 ] - [ -0.0001166500000000, 0.0006146100000000, -0.0020229300000000 ] - [ 0.0000000000000000, -0.0147683300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0107631600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0078676100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0098100900000000, 0.0000000000000000 ] - [ 0.0062858400000000, 0.0191548800000000, -0.0006454200000000 ] - [ -0.0001533400000000, -0.0162426100000000, 0.0036714200000000 ] - [ -0.0018960700000000, 0.0068603300000000, -0.0113386500000000 ] - [ 0.0011326300000000, -0.0101464000000000, 0.0083997100000000 ] - [ 0.0091120700000000, -0.0036968500000000, 0.0039333700000000 ] - [ -0.0091265300000000, -0.0036906500000000, -0.0041322500000000 ] - [ 0.0075167900000000, -0.0031010700000000, -0.0045227800000000 ] - [ -0.0075211600000000, -0.0031038800000000, 0.0043508900000000 ] - [ 0.0027440500000000, 0.0048244900000000, 0.0017252300000000 ] - [ -0.0008618300000000, -0.0047225800000000, -0.0014071500000000 ] - [ 0.0001290000000000, 0.0037449600000000, 0.0023659600000000 ] - [ -0.0002029700000000, -0.0044301000000000, -0.0031514800000000 ] - [ -0.0027440500000000, 0.0048244900000000, -0.0017252300000000 ] - [ 0.0008618300000000, -0.0047225800000000, 0.0014071500000000 ] - [ -0.0001290000000000, 0.0037449600000000, -0.0023659600000000 ] - [ 0.0002029700000000, -0.0044301000000000, 0.0031514800000000 ] - [ -0.0062858400000000, 0.0191548800000000, 0.0006454200000000 ] - [ 0.0001533400000000, -0.0162426100000000, -0.0036714200000000 ] - [ 0.0018960700000000, 0.0068603300000000, 0.0113386500000000 ] - [ -0.0011326300000000, -0.0101464000000000, -0.0083997100000000 ] - [ -0.0002967700000000, 0.0198819300000000, 0.0000249600000000 ] - [ -0.0000018100000000, -0.0045823400000000, 0.0000882600000000 ] - [ 0.0000007200000000, 0.0034838200000000, 0.0000934700000000 ] - [ -0.0000025500000000, -0.0035176700000000, 0.0000919700000000 ] - [ 0.0007448200000000, -0.0047271200000000, 0.0014174600000000 ] - [ -0.0028628900000000, 0.0048808800000000, -0.0017834600000000 ] - [ 0.0000864800000000, -0.0044341200000000, 0.0031538200000000 ] - [ -0.0002403100000000, 0.0037502600000000, -0.0023626500000000 ] - [ 0.0002967700000000, 0.0198819300000000, -0.0000249600000000 ] - [ 0.0000018100000000, -0.0045823400000000, -0.0000882600000000 ] - [ -0.0000007200000000, 0.0034838200000000, -0.0000934700000000 ] - [ 0.0000025500000000, -0.0035176700000000, -0.0000919700000000 ] - [ 0.0000305000000000, -0.0162173000000000, -0.0036941600000000 ] - [ -0.0068407500000000, 0.0206178200000000, 0.0022990100000000 ] - [ -0.0012434500000000, -0.0101470600000000, -0.0084065300000000 ] - [ 0.0017878600000000, 0.0068521100000000, 0.0113541200000000 ] - [ -0.0000305000000000, -0.0162173000000000, 0.0036941600000000 ] - [ 0.0068407500000000, 0.0206178200000000, -0.0022990100000000 ] - [ 0.0012434500000000, -0.0101470600000000, 0.0084065300000000 ] - [ -0.0017878600000000, 0.0068521100000000, -0.0113541200000000 ] - [ -0.0007448200000000, -0.0047271200000000, -0.0014174600000000 ] - [ 0.0028628900000000, 0.0048808800000000, 0.0017834600000000 ] - [ -0.0000864800000000, -0.0044341200000000, -0.0031538200000000 ] - [ 0.0002403100000000, 0.0037502600000000, 0.0023626500000000 ] - [ -0.0075167900000000, -0.0031010700000000, 0.0045227800000000 ] - [ 0.0075211600000000, -0.0031038800000000, -0.0043508900000000 ] - [ -0.0091120700000000, -0.0036968500000000, -0.0039333700000000 ] - [ 0.0091265300000000, -0.0036906500000000, 0.0041322500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0025681100000000, 0.0001803300000000, -0.0154024000000000 ] - [ -0.0025681100000000, -0.0001803300000000, -0.0154024000000000 ] - [ 0.0003831000000000, 0.0001035800000000, 0.0056026800000000 ] - [ 0.0003831000000000, -0.0001035800000000, 0.0056026800000000 ] - [ -0.0189570700000000, 0.0000000000000000, 0.0170303300000000 ] - [ -0.0017613700000000, 0.0000000000000000, 0.0007640000000000 ] - [ 0.0146990900000000, 0.0000000000000000, 0.0156944600000000 ] - [ 0.0012783700000000, 0.0000000000000000, -0.0002325300000000 ] - [ 0.0149131400000000, 0.0000000000000000, 0.0157873700000000 ] - [ 0.0012800900000000, 0.0000000000000000, -0.0003400300000000 ] - [ -0.0186887400000000, 0.0000000000000000, 0.0167066200000000 ] - [ -0.0017609400000000, 0.0000000000000000, 0.0006631400000000 ] - [ -0.0025462900000000, -0.0001496600000000, -0.0152821700000000 ] - [ -0.0025462900000000, 0.0001496600000000, -0.0152821700000000 ] - [ 0.0003879700000000, -0.0001084300000000, 0.0057021900000000 ] - [ 0.0003879700000000, 0.0001084300000000, 0.0057021900000000 ] - [ 0.0109757000000000, 0.0000000000000000, -0.1971154600000000 ] - [ 0.0061845900000000, 0.0000000000000000, -0.0241923700000000 ] - [ -0.0039945400000000, 0.0000000000000000, 0.0262668000000000 ] - [ -0.0033486400000000, 0.0000000000000000, 0.0180959100000000 ] - [ 0.0093681500000000, -0.0376275300000000, 0.0363337300000000 ] - [ 0.0093681500000000, 0.0376275300000000, 0.0363337300000000 ] - [ 0.0093373800000000, 0.0374898100000000, 0.0362431600000000 ] - [ 0.0093373800000000, -0.0374898100000000, 0.0362431600000000 ] - [ -0.0006593400000000, -0.0020305900000000, 0.0010332600000000 ] - [ -0.0006593400000000, 0.0020305900000000, 0.0010332600000000 ] - [ -0.0006599000000000, 0.0020491400000000, 0.0010664400000000 ] - [ -0.0006599000000000, -0.0020491400000000, 0.0010664400000000 ] - [ 0.0309841500000000, 0.0000000000000000, -0.0240897900000000 ] - [ -0.0019356400000000, 0.0000000000000000, -0.0087251400000000 ] - [ -0.0001247900000000, 0.0000000000000000, 0.0110595000000000 ] - [ 0.0016483900000000, 0.0000000000000000, 0.0101925500000000 ] - [ -0.0078586400000000, -0.0028394500000000, 0.0204080000000000 ] - [ -0.0001500500000000, -0.0118109800000000, 0.0072881500000000 ] - [ -0.0010264400000000, 0.0032338400000000, -0.0151431000000000 ] - [ -0.0011869400000000, 0.0082331200000000, -0.0104028900000000 ] - [ -0.0095044300000000, 0.0047054000000000, -0.0011877000000000 ] - [ -0.0095044300000000, -0.0047054000000000, -0.0011877000000000 ] - [ 0.0074406800000000, -0.0040754100000000, -0.0053654800000000 ] - [ 0.0074406800000000, 0.0040754100000000, -0.0053654800000000 ] - [ 0.0000465400000000, 0.0018441100000000, 0.0059898600000000 ] - [ 0.0004641400000000, 0.0024917200000000, 0.0036579100000000 ] - [ -0.0006059100000000, -0.0013927400000000, -0.0046528500000000 ] - [ -0.0002036100000000, -0.0030888500000000, -0.0045088900000000 ] - [ 0.0001584600000000, -0.0018818900000000, 0.0060554000000000 ] - [ 0.0005756600000000, -0.0024919400000000, 0.0036638400000000 ] - [ -0.0004944600000000, 0.0014048600000000, -0.0046631800000000 ] - [ -0.0000929400000000, 0.0030888500000000, -0.0045112400000000 ] - [ -0.0072925800000000, 0.0011979800000000, 0.0188661300000000 ] - [ -0.0000414000000000, 0.0117865300000000, 0.0072907900000000 ] - [ -0.0009244100000000, -0.0032137400000000, -0.0151611200000000 ] - [ -0.0010793300000000, -0.0082334200000000, -0.0104055900000000 ] - [ -0.0049719000000000, 0.0000000000000000, 0.0214813100000000 ] - [ -0.0003330200000000, 0.0000000000000000, 0.0036708300000000 ] - [ 0.0001530500000000, 0.0000000000000000, -0.0062652700000000 ] - [ 0.0000740900000000, 0.0000000000000000, -0.0036566200000000 ] - [ 0.0004641400000000, -0.0024917200000000, 0.0036579100000000 ] - [ 0.0000465400000000, -0.0018441100000000, 0.0059898600000000 ] - [ -0.0002036100000000, 0.0030888500000000, -0.0045088900000000 ] - [ -0.0006059100000000, 0.0013927400000000, -0.0046528500000000 ] - [ -0.0046458400000000, 0.0000000000000000, 0.0213698400000000 ] - [ -0.0003447800000000, 0.0000000000000000, 0.0034825500000000 ] - [ 0.0001424200000000, 0.0000000000000000, -0.0064686100000000 ] - [ 0.0000681200000000, 0.0000000000000000, -0.0038458900000000 ] - [ -0.0001500500000000, 0.0118109800000000, 0.0072881500000000 ] - [ -0.0078586400000000, 0.0028394500000000, 0.0204080000000000 ] - [ -0.0011869400000000, -0.0082331200000000, -0.0104028900000000 ] - [ -0.0010264400000000, -0.0032338400000000, -0.0151431000000000 ] - [ -0.0000414000000000, -0.0117865300000000, 0.0072907900000000 ] - [ -0.0072925800000000, -0.0011979800000000, 0.0188661300000000 ] - [ -0.0010793300000000, 0.0082334200000000, -0.0104055900000000 ] - [ -0.0009244100000000, 0.0032137400000000, -0.0151611200000000 ] - [ 0.0005756600000000, 0.0024919400000000, 0.0036638400000000 ] - [ 0.0001584600000000, 0.0018818900000000, 0.0060554000000000 ] - [ -0.0000929400000000, -0.0030888500000000, -0.0045112400000000 ] - [ -0.0004944600000000, -0.0014048600000000, -0.0046631800000000 ] - [ 0.0074511200000000, 0.0041011500000000, -0.0051875300000000 ] - [ 0.0074511200000000, -0.0041011500000000, -0.0051875300000000 ] - [ -0.0094853900000000, -0.0046997800000000, -0.0009941500000000 ] - [ -0.0094853900000000, 0.0046997800000000, -0.0009941500000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0048014500000000, 0.0001926700000000, -0.0005132300000000 ] - [ 0.0004388200000000, 0.0006334700000000, -0.0001063100000000 ] - [ 0.0006201600000000, -0.0000413500000000, 0.0007508400000000 ] - [ 0.0001573900000000, 0.0002179300000000, 0.0001815000000000 ] - [ 0.0048014500000000, -0.0001926700000000, 0.0005132300000000 ] - [ 0.0004388200000000, -0.0006334700000000, 0.0001063100000000 ] - [ 0.0006201600000000, 0.0000413500000000, -0.0007508400000000 ] - [ 0.0001573900000000, -0.0002179300000000, -0.0001815000000000 ] - [ -0.0047047000000000, -0.0041076900000000, -0.0046705800000000 ] - [ -0.0002275500000000, 0.0010107200000000, 0.0001564000000000 ] - [ -0.0006705400000000, 0.0000307200000000, 0.0007165400000000 ] - [ -0.0001664900000000, -0.0000741700000000, -0.0001361800000000 ] - [ -0.0047047000000000, 0.0041076900000000, 0.0046705800000000 ] - [ -0.0002275500000000, -0.0010107200000000, -0.0001564000000000 ] - [ -0.0006705400000000, -0.0000307200000000, -0.0007165400000000 ] - [ -0.0001664900000000, 0.0000741700000000, 0.0001361800000000 ] - [ 0.0160544100000000, 0.0065278000000000, -0.0075434400000000 ] - [ 0.0008508200000000, -0.0001018700000000, -0.0001135400000000 ] - [ 0.0016857500000000, -0.0018356100000000, -0.0009681900000000 ] - [ 0.0006091200000000, 0.0011779500000000, -0.0011196800000000 ] - [ 0.0160544100000000, -0.0065278000000000, 0.0075434400000000 ] - [ 0.0008508200000000, 0.0001018700000000, 0.0001135400000000 ] - [ 0.0016857500000000, 0.0018356100000000, 0.0009681900000000 ] - [ 0.0006091200000000, -0.0011779500000000, 0.0011196800000000 ] - [ -0.0149415500000000, -0.0027796600000000, 0.0000699300000000 ] - [ -0.0009029500000000, 0.0007946100000000, 0.0005165500000000 ] - [ -0.0012639000000000, -0.0001810700000000, -0.0005420200000000 ] - [ -0.0003811400000000, 0.0001356100000000, -0.0001397100000000 ] - [ -0.0149415500000000, 0.0027796600000000, -0.0000699300000000 ] - [ -0.0009029500000000, -0.0007946100000000, -0.0005165500000000 ] - [ -0.0012639000000000, 0.0001810700000000, 0.0005420200000000 ] - [ -0.0003811400000000, -0.0001356100000000, 0.0001397100000000 ] - [ -0.0648016300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001601800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007738300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000962400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0178377800000000, -0.0094319000000000, 0.0068665500000000 ] - [ 0.0001996000000000, 0.0001239900000000, -0.0000039100000000 ] - [ 0.0005018400000000, -0.0000956800000000, 0.0000066000000000 ] - [ 0.0005610900000000, 0.0001611900000000, -0.0002881000000000 ] - [ 0.0013415100000000, -0.0001087200000000, 0.0000875200000000 ] - [ 0.0001024800000000, 0.0002426300000000, 0.0002101700000000 ] - [ 0.0013415100000000, 0.0001087200000000, -0.0000875200000000 ] - [ 0.0001024800000000, -0.0002426300000000, -0.0002101700000000 ] - [ 0.0098038900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001476900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003683900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002201900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018232500000000, -0.0010373300000000, -0.0064417300000000 ] - [ -0.0001262200000000, 0.0004665800000000, 0.0001914100000000 ] - [ -0.0018232500000000, 0.0010373300000000, 0.0064417300000000 ] - [ -0.0001262200000000, -0.0004665800000000, -0.0001914100000000 ] - [ 0.0178377800000000, 0.0094319000000000, -0.0068665500000000 ] - [ 0.0001996000000000, -0.0001239900000000, 0.0000039100000000 ] - [ 0.0005018400000000, 0.0000956800000000, -0.0000066000000000 ] - [ 0.0005610900000000, -0.0001611900000000, 0.0002881000000000 ] - [ 0.0008591700000000, -0.0000470100000000, 0.0000412600000000 ] - [ 0.0022377200000000, -0.0003257500000000, -0.0001029300000000 ] - [ 0.0022377200000000, 0.0003257500000000, 0.0001029300000000 ] - [ 0.0008591700000000, 0.0000470100000000, -0.0000412600000000 ] - [ 0.0066326200000000, -0.0079641400000000, 0.0087796700000000 ] - [ -0.0003237900000000, 0.0008296500000000, -0.0000594900000000 ] - [ -0.0005914000000000, 0.0001229400000000, -0.0025708400000000 ] - [ -0.0002852900000000, 0.0000092300000000, -0.0002152500000000 ] - [ -0.0047118100000000, -0.0002202600000000, -0.0010502900000000 ] - [ -0.0047118100000000, 0.0002202600000000, 0.0010502900000000 ] - [ -0.0003867700000000, 0.0000023800000000, 0.0000727000000000 ] - [ -0.0003867700000000, -0.0000023800000000, -0.0000727000000000 ] - [ -0.0005099300000000, -0.0004930100000000, 0.0001190700000000 ] - [ 0.0018976700000000, 0.0027010100000000, -0.0025266700000000 ] - [ 0.0018976700000000, -0.0027010100000000, 0.0025266700000000 ] - [ -0.0005099300000000, 0.0004930100000000, -0.0001190700000000 ] - [ 0.0020598000000000, 0.0010930400000000, -0.0007977100000000 ] - [ 0.0020598000000000, -0.0010930400000000, 0.0007977100000000 ] - [ 0.0002139500000000, 0.0002761600000000, 0.0001813600000000 ] - [ 0.0002139500000000, -0.0002761600000000, -0.0001813600000000 ] - [ 0.0066326200000000, 0.0079641400000000, -0.0087796700000000 ] - [ -0.0003237900000000, -0.0008296500000000, 0.0000594900000000 ] - [ -0.0005914000000000, -0.0001229400000000, 0.0025708400000000 ] - [ -0.0002852900000000, -0.0000092300000000, 0.0002152500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0050596700000000, -0.0004226300000000, 0.0002074900000000 ] - [ -0.0004584100000000, -0.0006310100000000, 0.0000140800000000 ] - [ -0.0006327400000000, 0.0000447200000000, -0.0008402200000000 ] - [ -0.0001636200000000, -0.0002213000000000, -0.0002765200000000 ] - [ -0.0050596700000000, 0.0004226300000000, -0.0002074900000000 ] - [ -0.0004584100000000, 0.0006310100000000, -0.0000140800000000 ] - [ -0.0006327400000000, -0.0000447200000000, 0.0008402200000000 ] - [ -0.0001636200000000, 0.0002213000000000, 0.0002765200000000 ] - [ 0.0047436800000000, 0.0041010000000000, 0.0045695300000000 ] - [ 0.0002458100000000, -0.0010050800000000, -0.0002506800000000 ] - [ 0.0006864200000000, -0.0000317200000000, -0.0008074100000000 ] - [ 0.0001717700000000, 0.0000764600000000, 0.0000489900000000 ] - [ 0.0047436800000000, -0.0041010000000000, -0.0045695300000000 ] - [ 0.0002458100000000, 0.0010050800000000, 0.0002506800000000 ] - [ 0.0006864200000000, 0.0000317200000000, 0.0008074100000000 ] - [ 0.0001717700000000, -0.0000764600000000, -0.0000489900000000 ] - [ -0.0161863500000000, -0.0065857100000000, 0.0075939500000000 ] - [ -0.0008502000000000, 0.0000818000000000, 0.0000776900000000 ] - [ -0.0017044900000000, 0.0018504800000000, 0.0009834900000000 ] - [ -0.0006233800000000, -0.0012010900000000, 0.0011429800000000 ] - [ -0.0161863500000000, 0.0065857100000000, -0.0075939500000000 ] - [ -0.0008502000000000, -0.0000818000000000, -0.0000776900000000 ] - [ -0.0017044900000000, -0.0018504800000000, -0.0009834900000000 ] - [ -0.0006233800000000, 0.0012010900000000, -0.0011429800000000 ] - [ 0.0149118000000000, 0.0028302900000000, -0.0001370300000000 ] - [ 0.0009129900000000, -0.0008141500000000, -0.0005264300000000 ] - [ 0.0012725800000000, 0.0001868500000000, 0.0005583600000000 ] - [ 0.0003811400000000, -0.0001519700000000, 0.0001589200000000 ] - [ 0.0149118000000000, -0.0028302900000000, 0.0001370300000000 ] - [ 0.0009129900000000, 0.0008141500000000, 0.0005264300000000 ] - [ 0.0012725800000000, -0.0001868500000000, -0.0005583600000000 ] - [ 0.0003811400000000, 0.0001519700000000, -0.0001589200000000 ] - [ 0.0652975400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000499900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006710400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000158800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0176503400000000, 0.0092411300000000, -0.0069271400000000 ] - [ -0.0002150600000000, -0.0001195800000000, -0.0001880700000000 ] - [ -0.0005143600000000, 0.0000983800000000, -0.0001972400000000 ] - [ -0.0005774200000000, -0.0001623700000000, 0.0001000800000000 ] - [ -0.0014554000000000, 0.0001013600000000, -0.0001096600000000 ] - [ -0.0002131400000000, -0.0002451700000000, -0.0002141700000000 ] - [ -0.0014554000000000, -0.0001013600000000, 0.0001096600000000 ] - [ -0.0002131400000000, 0.0002451700000000, 0.0002141700000000 ] - [ -0.0098428400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000358800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002602600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001085000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018878500000000, 0.0010539000000000, 0.0064976000000000 ] - [ 0.0002346700000000, -0.0004722800000000, -0.0001908100000000 ] - [ 0.0018878500000000, -0.0010539000000000, -0.0064976000000000 ] - [ 0.0002346700000000, 0.0004722800000000, 0.0001908100000000 ] - [ -0.0176503400000000, -0.0092411300000000, 0.0069271400000000 ] - [ -0.0002150600000000, 0.0001195800000000, 0.0001880700000000 ] - [ -0.0005143600000000, -0.0000983800000000, 0.0001972400000000 ] - [ -0.0005774200000000, 0.0001623700000000, -0.0001000800000000 ] - [ -0.0009730500000000, 0.0000381500000000, -0.0000522900000000 ] - [ -0.0023463500000000, 0.0003583500000000, 0.0000659800000000 ] - [ -0.0023463500000000, -0.0003583500000000, -0.0000659800000000 ] - [ -0.0009730500000000, -0.0000381500000000, 0.0000522900000000 ] - [ -0.0065972700000000, 0.0080240600000000, -0.0090374400000000 ] - [ 0.0003373200000000, -0.0008435400000000, -0.0001273300000000 ] - [ 0.0006050400000000, -0.0001278400000000, 0.0024095300000000 ] - [ 0.0003008400000000, -0.0000099000000000, 0.0000279600000000 ] - [ 0.0046081500000000, 0.0003473600000000, 0.0010745400000000 ] - [ 0.0046081500000000, -0.0003473600000000, -0.0010745400000000 ] - [ 0.0002774400000000, -0.0000057400000000, -0.0000819600000000 ] - [ 0.0002774400000000, 0.0000057400000000, 0.0000819600000000 ] - [ 0.0006184200000000, 0.0004889700000000, -0.0001156800000000 ] - [ -0.0017945400000000, -0.0027892100000000, 0.0026155600000000 ] - [ -0.0017945400000000, 0.0027892100000000, -0.0026155600000000 ] - [ 0.0006184200000000, -0.0004889700000000, 0.0001156800000000 ] - [ -0.0019528300000000, -0.0011179500000000, 0.0007935000000000 ] - [ -0.0019528300000000, 0.0011179500000000, -0.0007935000000000 ] - [ -0.0001049000000000, -0.0002795900000000, -0.0001836400000000 ] - [ -0.0001049000000000, 0.0002795900000000, 0.0001836400000000 ] - [ -0.0065972700000000, -0.0080240600000000, 0.0090374400000000 ] - [ 0.0003373200000000, 0.0008435400000000, 0.0001273300000000 ] - [ 0.0006050400000000, 0.0001278400000000, -0.0024095300000000 ] - [ 0.0003008400000000, 0.0000099000000000, -0.0000279600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005600300000000, 0.0100372700000000, -0.0028598500000000 ] - [ 0.0022936400000000, -0.0046137000000000, 0.0007385300000000 ] - [ -0.0006516800000000, 0.0012481000000000, 0.0034068200000000 ] - [ 0.0001031300000000, -0.0009226000000000, -0.0002991500000000 ] - [ 0.0002462100000000, 0.0103126200000000, -0.0024975500000000 ] - [ -0.0022668100000000, -0.0046214500000000, 0.0008147200000000 ] - [ 0.0006485300000000, 0.0012591600000000, 0.0034929300000000 ] - [ -0.0000984900000000, -0.0009297800000000, -0.0002051300000000 ] - [ -0.0042681900000000, 0.0027030000000000, -0.0066488500000000 ] - [ 0.0017555700000000, -0.0043104500000000, -0.0001182600000000 ] - [ -0.0011579400000000, 0.0013711500000000, 0.0028591000000000 ] - [ 0.0000769100000000, -0.0008620500000000, 0.0000806400000000 ] - [ 0.0043460900000000, 0.0026151700000000, -0.0066052100000000 ] - [ -0.0017752100000000, -0.0043016400000000, -0.0000197500000000 ] - [ 0.0011599000000000, 0.0013568200000000, 0.0029509700000000 ] - [ -0.0000818700000000, -0.0008574700000000, 0.0001681700000000 ] - [ 0.0002164200000000, 0.0205925400000000, -0.0030172100000000 ] - [ 0.0031949600000000, -0.0162026900000000, -0.0117367300000000 ] - [ -0.0014583300000000, 0.0068888400000000, 0.0032391500000000 ] - [ -0.0017276500000000, -0.0101492600000000, 0.0082155800000000 ] - [ 0.0003046100000000, 0.0191712100000000, -0.0010214200000000 ] - [ -0.0032340200000000, -0.0162583400000000, -0.0118661200000000 ] - [ 0.0014587300000000, 0.0068200600000000, 0.0032093400000000 ] - [ 0.0017312900000000, -0.0101422400000000, 0.0082601600000000 ] - [ -0.0004837900000000, 0.0048340500000000, -0.0018488400000000 ] - [ 0.0006820100000000, -0.0047108400000000, -0.0024927300000000 ] - [ -0.0010269700000000, 0.0037403400000000, 0.0013947700000000 ] - [ -0.0004543700000000, -0.0044225000000000, 0.0030919400000000 ] - [ 0.0004843100000000, 0.0048759100000000, -0.0018778600000000 ] - [ -0.0006796700000000, -0.0047392600000000, -0.0024924200000000 ] - [ 0.0010220900000000, 0.0037555000000000, 0.0014049300000000 ] - [ 0.0004604000000000, -0.0044416600000000, 0.0030881100000000 ] - [ -0.0003259300000000, -0.1427555200000000, 0.0731993700000000 ] - [ -0.0000605100000000, 0.0111029700000000, -0.0020849500000000 ] - [ -0.0000525400000000, -0.0015614900000000, -0.0014245700000000 ] - [ -0.0000625400000000, 0.0053347200000000, -0.0047189400000000 ] - [ -0.0180995500000000, 0.0022430500000000, -0.0032164800000000 ] - [ 0.0016322700000000, 0.0020934600000000, 0.0012128500000000 ] - [ 0.0001567800000000, -0.0012425900000000, -0.0011775500000000 ] - [ 0.0010715800000000, 0.0015905500000000, -0.0015678400000000 ] - [ -0.0001632800000000, -0.0042694300000000, -0.0023338900000000 ] - [ 0.0001872900000000, 0.0028830600000000, 0.0014412700000000 ] - [ 0.0000445400000000, -0.0042649900000000, -0.0023435300000000 ] - [ -0.0003001300000000, 0.0028865200000000, 0.0014463700000000 ] - [ 0.0000907500000000, -0.0083633700000000, 0.0052693300000000 ] - [ 0.0000550300000000, 0.0032384800000000, -0.0007466300000000 ] - [ 0.0000570000000000, -0.0013648400000000, -0.0005970600000000 ] - [ 0.0000571200000000, 0.0026744900000000, -0.0022733700000000 ] - [ 0.0010929800000000, -0.0107672900000000, -0.0065621900000000 ] - [ -0.0004103900000000, 0.0057353200000000, 0.0027356400000000 ] - [ -0.0009985400000000, -0.0107269400000000, -0.0066943600000000 ] - [ 0.0005294700000000, 0.0057535800000000, 0.0027563500000000 ] - [ 0.0181775800000000, 0.0021584500000000, -0.0029920700000000 ] - [ -0.0016027900000000, 0.0020981600000000, 0.0014099400000000 ] - [ -0.0001597400000000, -0.0012536800000000, -0.0009834100000000 ] - [ -0.0010622900000000, 0.0015973800000000, -0.0013683700000000 ] - [ -0.0000166900000000, -0.0003075800000000, 0.0013674600000000 ] - [ 0.0002867300000000, 0.0029629500000000, -0.0032135000000000 ] - [ -0.0003995200000000, 0.0029768800000000, -0.0032244300000000 ] - [ -0.0001031700000000, -0.0003257500000000, 0.0013714400000000 ] - [ -0.0153073200000000, 0.0026860000000000, -0.0105888200000000 ] - [ 0.0012875200000000, 0.0023799500000000, 0.0013248800000000 ] - [ 0.0003193800000000, -0.0015374400000000, 0.0014431100000000 ] - [ 0.0011198200000000, 0.0019712000000000, -0.0015571100000000 ] - [ 0.0002207400000000, 0.0360622300000000, 0.0073014000000000 ] - [ -0.0003483100000000, 0.0366343400000000, 0.0074056900000000 ] - [ -0.0000635200000000, -0.0009475000000000, -0.0024978300000000 ] - [ -0.0000563100000000, -0.0009677800000000, -0.0025098500000000 ] - [ -0.0004278800000000, -0.0012958000000000, 0.0034811800000000 ] - [ 0.0028071000000000, 0.0189743900000000, -0.0177131100000000 ] - [ -0.0026804400000000, 0.0188320300000000, -0.0176603300000000 ] - [ 0.0005546300000000, -0.0013441400000000, 0.0035226500000000 ] - [ 0.0011648100000000, 0.0024226300000000, 0.0019102300000000 ] - [ -0.0010458400000000, 0.0023971500000000, 0.0019069800000000 ] - [ 0.0003359900000000, -0.0005272800000000, -0.0013596100000000 ] - [ -0.0002217000000000, -0.0005374900000000, -0.0013651300000000 ] - [ 0.0152242300000000, 0.0027593600000000, -0.0103645500000000 ] - [ -0.0013151000000000, 0.0023753300000000, 0.0015322900000000 ] - [ -0.0003163400000000, -0.0015278700000000, 0.0016573600000000 ] - [ -0.0011327300000000, 0.0019683600000000, -0.0013650400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014383800000000, -0.0022908700000000, 0.0094841600000000 ] - [ -0.0009518900000000, 0.0031812200000000, 0.0012143300000000 ] - [ 0.0013522800000000, -0.0000161800000000, -0.0052768700000000 ] - [ 0.0000725500000000, -0.0000454800000000, -0.0008073000000000 ] - [ -0.0017462200000000, -0.0020285800000000, 0.0098141000000000 ] - [ 0.0009435500000000, 0.0031830300000000, 0.0013211000000000 ] - [ -0.0013377900000000, -0.0000197100000000, -0.0051882500000000 ] - [ -0.0000687300000000, -0.0000435000000000, -0.0007285200000000 ] - [ -0.0056676800000000, -0.0057177100000000, 0.0036065300000000 ] - [ -0.0011497300000000, 0.0031618800000000, 0.0014511300000000 ] - [ 0.0023140600000000, 0.0004079500000000, -0.0043542300000000 ] - [ 0.0002108800000000, -0.0000171900000000, -0.0010875900000000 ] - [ 0.0057465300000000, -0.0057634100000000, 0.0035961500000000 ] - [ 0.0011520500000000, 0.0031631600000000, 0.0015279900000000 ] - [ -0.0023277200000000, 0.0004156800000000, -0.0042595500000000 ] - [ -0.0002128100000000, -0.0000201100000000, -0.0009923800000000 ] - [ 0.0002835700000000, -0.0004838800000000, 0.0189015100000000 ] - [ -0.0011985900000000, 0.0036672800000000, 0.0072525900000000 ] - [ 0.0029428800000000, -0.0114074900000000, -0.0151754500000000 ] - [ 0.0023161200000000, 0.0084207500000000, -0.0104069400000000 ] - [ 0.0002512600000000, -0.0024528200000000, 0.0203663300000000 ] - [ 0.0012162400000000, 0.0036988400000000, 0.0073288600000000 ] - [ -0.0029094400000000, -0.0112905200000000, -0.0151359600000000 ] - [ -0.0023235900000000, 0.0083849000000000, -0.0104008800000000 ] - [ 0.0032707200000000, -0.0017641300000000, 0.0060550600000000 ] - [ -0.0001913100000000, 0.0014177300000000, 0.0036687000000000 ] - [ -0.0000048300000000, -0.0023634700000000, -0.0046747400000000 ] - [ 0.0008673400000000, 0.0031543900000000, -0.0045150400000000 ] - [ -0.0032164200000000, -0.0017415900000000, 0.0059949600000000 ] - [ 0.0001927800000000, 0.0014044900000000, 0.0036537200000000 ] - [ -0.0000038900000000, -0.0023680400000000, -0.0046478000000000 ] - [ -0.0008532200000000, 0.0031541200000000, -0.0045018400000000 ] - [ -0.0003569300000000, 0.0732022800000000, -0.1311840900000000 ] - [ -0.0000555800000000, -0.0020839200000000, -0.0011706600000000 ] - [ -0.0000629600000000, -0.0014241200000000, 0.0089036700000000 ] - [ -0.0000603100000000, -0.0047200400000000, 0.0054961300000000 ] - [ 0.0139695400000000, -0.0043112000000000, -0.0032196900000000 ] - [ -0.0003383200000000, -0.0007352800000000, -0.0016840500000000 ] - [ -0.0014383600000000, 0.0014910400000000, 0.0028709900000000 ] - [ -0.0011542100000000, -0.0013848000000000, 0.0020406400000000 ] - [ -0.0001569700000000, 0.0023385800000000, 0.0019017700000000 ] - [ -0.0002676800000000, -0.0014423800000000, -0.0006910600000000 ] - [ 0.0000413700000000, 0.0023373300000000, 0.0018821200000000 ] - [ 0.0001559200000000, -0.0014490600000000, -0.0007030000000000 ] - [ 0.0000855100000000, 0.0052683500000000, -0.0087350500000000 ] - [ 0.0000557600000000, -0.0007478300000000, -0.0009924600000000 ] - [ 0.0000555300000000, -0.0005984400000000, 0.0030776800000000 ] - [ 0.0000563600000000, -0.0022756700000000, 0.0027320800000000 ] - [ -0.0063538200000000, 0.0065882700000000, 0.0299603400000000 ] - [ 0.0002488400000000, -0.0027394200000000, -0.0012113500000000 ] - [ 0.0065840800000000, 0.0066717300000000, 0.0303560600000000 ] - [ -0.0001340800000000, -0.0027519900000000, -0.0012326600000000 ] - [ -0.0139881200000000, -0.0043604400000000, -0.0029096100000000 ] - [ 0.0003319400000000, -0.0007329400000000, -0.0014761300000000 ] - [ 0.0014627900000000, 0.0015022000000000, 0.0030610100000000 ] - [ 0.0011624400000000, -0.0013911500000000, 0.0022405900000000 ] - [ -0.0001070100000000, 0.0013676800000000, -0.0003266700000000 ] - [ 0.0000221600000000, -0.0032190200000000, 0.0027870800000000 ] - [ -0.0001458500000000, -0.0032140400000000, 0.0027713900000000 ] - [ -0.0000119300000000, 0.0013717500000000, -0.0003435500000000 ] - [ 0.0188819700000000, -0.0098893900000000, 0.0089434900000000 ] - [ -0.0002107100000000, -0.0000726700000000, -0.0013048800000000 ] - [ -0.0016910100000000, 0.0014469300000000, 0.0028287200000000 ] - [ -0.0012145300000000, -0.0016287400000000, 0.0015276500000000 ] - [ -0.0011257000000000, -0.0072666200000000, -0.0122540600000000 ] - [ 0.0009994200000000, -0.0074404100000000, -0.0122068800000000 ] - [ 0.0000170600000000, 0.0024947200000000, 0.0053250800000000 ] - [ -0.0001388600000000, 0.0025113000000000, 0.0053333600000000 ] - [ 0.0001755600000000, 0.0034841800000000, -0.0014873400000000 ] - [ -0.0025108900000000, -0.0176533600000000, 0.0191668500000000 ] - [ 0.0026343600000000, -0.0177218700000000, 0.0193112700000000 ] - [ -0.0000575500000000, 0.0035180800000000, -0.0015289300000000 ] - [ 0.0008563300000000, -0.0019029700000000, -0.0048257800000000 ] - [ -0.0007358900000000, -0.0019127300000000, -0.0048199200000000 ] - [ -0.0001272400000000, 0.0013622300000000, 0.0029562100000000 ] - [ 0.0002395500000000, 0.0013667200000000, 0.0029573100000000 ] - [ -0.0190821700000000, -0.0099743800000000, 0.0091444800000000 ] - [ 0.0002153000000000, -0.0000766300000000, -0.0011207100000000 ] - [ 0.0016647000000000, 0.0014394400000000, 0.0030468600000000 ] - [ 0.0012028900000000, -0.0016220300000000, 0.0017218200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0064960600000000, 0.0000000000000000, -0.0000235500000000 ] - [ -0.0011761100000000, 0.0000000000000000, -0.0000520700000000 ] - [ -0.0036661000000000, 0.0000000000000000, -0.0000709600000000 ] - [ -0.0008622200000000, 0.0000000000000000, -0.0000486700000000 ] - [ -0.0052033100000000, -0.0000210400000000, 0.0000440100000000 ] - [ -0.0052033100000000, 0.0000210400000000, 0.0000440100000000 ] - [ -0.0009983600000000, 0.0000041800000000, 0.0000487200000000 ] - [ -0.0009983600000000, -0.0000041800000000, 0.0000487200000000 ] - [ 0.0080766000000000, 0.0001396400000000, -0.0000045400000000 ] - [ 0.0080766000000000, -0.0001396400000000, -0.0000045400000000 ] - [ 0.0010295200000000, 0.0000050300000000, -0.0000578400000000 ] - [ 0.0010295200000000, -0.0000050300000000, -0.0000578400000000 ] - [ 0.0082158200000000, 0.0000000000000000, -0.0000834300000000 ] - [ 0.0010344700000000, 0.0000000000000000, 0.0000490100000000 ] - [ 0.0062209600000000, 0.0000000000000000, 0.0001440000000000 ] - [ 0.0010561100000000, 0.0000000000000000, 0.0000574000000000 ] - [ 0.0018711300000000, 0.0091045800000000, -0.0094531700000000 ] - [ 0.0018711300000000, -0.0091045800000000, -0.0094531700000000 ] - [ -0.0020221600000000, 0.0075033100000000, 0.0074300400000000 ] - [ -0.0020221600000000, -0.0075033100000000, 0.0074300400000000 ] - [ -0.0038512300000000, 0.0000000000000000, 0.0054650300000000 ] - [ 0.0001043800000000, 0.0000000000000000, 0.0003371800000000 ] - [ -0.0000856300000000, 0.0000000000000000, -0.0001728800000000 ] - [ -0.0000906600000000, 0.0000000000000000, -0.0000676300000000 ] - [ 0.0008826000000000, 0.0000000000000000, -0.0041311000000000 ] - [ 0.0001280600000000, 0.0000000000000000, -0.0003471000000000 ] - [ -0.0000462400000000, 0.0000000000000000, 0.0001285900000000 ] - [ -0.0000787600000000, 0.0000000000000000, 0.0000720200000000 ] - [ 0.0019910600000000, -0.0091428100000000, 0.0095388800000000 ] - [ 0.0019910600000000, 0.0091428100000000, 0.0095388800000000 ] - [ -0.0020303000000000, -0.0075373200000000, -0.0074582100000000 ] - [ -0.0020303000000000, 0.0075373200000000, -0.0074582100000000 ] - [ 0.0176477000000000, -0.0179885800000000, 0.0138499000000000 ] - [ 0.0001620000000000, 0.0016144800000000, -0.0003385800000000 ] - [ 0.0004555100000000, 0.0001522400000000, -0.0014406800000000 ] - [ 0.0005120300000000, 0.0010642500000000, -0.0011546200000000 ] - [ -0.1819892100000000, 0.0000000000000000, -0.0013811100000000 ] - [ -0.0015296200000000, 0.0000000000000000, -0.0000940800000000 ] - [ -0.0015736100000000, 0.0000000000000000, -0.0000952500000000 ] - [ -0.0011859400000000, 0.0000000000000000, -0.0000951900000000 ] - [ -0.0006766900000000, -0.0003358900000000, -0.0016721500000000 ] - [ -0.0003540600000000, -0.0011286400000000, -0.0012120800000000 ] - [ 0.0064824700000000, 0.0153385400000000, 0.0190447000000000 ] - [ -0.0003974000000000, -0.0013015400000000, -0.0002205400000000 ] - [ 0.0178398500000000, 0.0182909900000000, -0.0141066600000000 ] - [ 0.0002565300000000, -0.0016247800000000, 0.0003361500000000 ] - [ 0.0005635500000000, -0.0001611900000000, 0.0014598800000000 ] - [ 0.0006314300000000, -0.0010695900000000, 0.0011626800000000 ] - [ -0.0005144000000000, 0.0002970500000000, 0.0016833700000000 ] - [ -0.0002377300000000, 0.0011243000000000, 0.0012082000000000 ] - [ 0.0067415400000000, -0.0151953300000000, -0.0189168200000000 ] - [ -0.0002685300000000, 0.0013048900000000, 0.0002084600000000 ] - [ -0.0044050000000000, -0.0000350700000000, 0.0001230200000000 ] - [ -0.0044050000000000, 0.0000350700000000, 0.0001230200000000 ] - [ -0.0037720900000000, 0.0000012500000000, 0.0000909200000000 ] - [ -0.0037720900000000, -0.0000012500000000, 0.0000909200000000 ] - [ -0.0006766900000000, 0.0003358900000000, -0.0016721500000000 ] - [ -0.0003540600000000, 0.0011286400000000, -0.0012120800000000 ] - [ 0.0064824700000000, -0.0153385400000000, 0.0190447000000000 ] - [ -0.0003974000000000, 0.0013015400000000, -0.0002205400000000 ] - [ 0.0054158100000000, 0.0000065300000000, -0.0000988600000000 ] - [ 0.0054158100000000, -0.0000065300000000, -0.0000988600000000 ] - [ 0.0054133400000000, 0.0000045300000000, -0.0000834900000000 ] - [ 0.0054133400000000, -0.0000045300000000, -0.0000834900000000 ] - [ 0.0176477000000000, 0.0179885800000000, 0.0138499000000000 ] - [ 0.0001620000000000, -0.0016144800000000, -0.0003385800000000 ] - [ 0.0004555100000000, -0.0001522400000000, -0.0014406800000000 ] - [ 0.0005120300000000, -0.0010642500000000, -0.0011546200000000 ] - [ -0.0005144000000000, -0.0002970500000000, 0.0016833700000000 ] - [ -0.0002377300000000, -0.0011243000000000, 0.0012082000000000 ] - [ 0.0067415400000000, 0.0151953300000000, -0.0189168200000000 ] - [ -0.0002685300000000, -0.0013048900000000, 0.0002084600000000 ] - [ 0.0178398500000000, -0.0182909900000000, -0.0141066600000000 ] - [ 0.0002565300000000, 0.0016247800000000, 0.0003361500000000 ] - [ 0.0005635500000000, 0.0001611900000000, 0.0014598800000000 ] - [ 0.0006314300000000, 0.0010695900000000, 0.0011626800000000 ] - [ 0.0721291200000000, 0.0000000000000000, 0.0001178300000000 ] - [ 0.0014214500000000, 0.0000000000000000, 0.0000913700000000 ] - [ 0.0016235800000000, 0.0000000000000000, 0.0000883400000000 ] - [ 0.0013947600000000, 0.0000000000000000, 0.0000908400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0036410300000000, -0.0000553800000000 ] - [ 0.0000000000000000, -0.0014789300000000, -0.0000446800000000 ] - [ 0.0000000000000000, 0.0022570500000000, -0.0000266000000000 ] - [ 0.0000000000000000, -0.0013301900000000, -0.0000451500000000 ] - [ 0.0000000000000000, -0.0012496400000000, -0.0005552300000000 ] - [ 0.0000000000000000, -0.0012799100000000, 0.0006470200000000 ] - [ 0.0000000000000000, 0.0000147200000000, 0.0003438600000000 ] - [ 0.0000000000000000, 0.0000089000000000, -0.0002532000000000 ] - [ 0.0000000000000000, -0.0102723400000000, -0.0024407000000000 ] - [ 0.0000000000000000, -0.0104126800000000, 0.0023642900000000 ] - [ 0.0000000000000000, 0.0000330700000000, 0.0001013700000000 ] - [ 0.0000000000000000, 0.0000312300000000, -0.0001881600000000 ] - [ 0.0000000000000000, 0.0054652900000000, 0.0000969900000000 ] - [ 0.0000000000000000, -0.0019126700000000, 0.0000476600000000 ] - [ 0.0000000000000000, 0.0035899300000000, 0.0000594500000000 ] - [ 0.0000000000000000, -0.0013399800000000, 0.0000410000000000 ] - [ 0.0008190000000000, -0.0036807100000000, 0.0047048800000000 ] - [ -0.0007971700000000, -0.0037048200000000, -0.0047018700000000 ] - [ 0.0007579700000000, -0.0030946600000000, -0.0040926300000000 ] - [ -0.0007436800000000, -0.0031112800000000, 0.0040844400000000 ] - [ 0.0001788500000000, 0.0198810200000000, -0.0000323000000000 ] - [ 0.0000068300000000, -0.0045811100000000, 0.0000046200000000 ] - [ -0.0000064100000000, 0.0034848000000000, -0.0000023100000000 ] - [ 0.0000022500000000, -0.0035161700000000, 0.0000054000000000 ] - [ -0.0001788500000000, 0.0198810200000000, -0.0000323000000000 ] - [ -0.0000068300000000, -0.0045811100000000, 0.0000046200000000 ] - [ 0.0000064100000000, 0.0034848000000000, -0.0000023100000000 ] - [ -0.0000022500000000, -0.0035161700000000, 0.0000054000000000 ] - [ -0.0008190000000000, -0.0036807100000000, 0.0047048800000000 ] - [ 0.0007971700000000, -0.0037048200000000, -0.0047018700000000 ] - [ -0.0007579700000000, -0.0030946600000000, -0.0040926300000000 ] - [ 0.0007436800000000, -0.0031112800000000, 0.0040844400000000 ] - [ -0.0094166500000000, 0.0021736100000000, -0.0043346600000000 ] - [ 0.0000643900000000, 0.0021002100000000, -0.0007367900000000 ] - [ -0.0001510900000000, -0.0012509500000000, 0.0014986100000000 ] - [ 0.0001039200000000, 0.0015953800000000, -0.0013864900000000 ] - [ 0.0000000000000000, -0.0449658500000000, -0.0001745000000000 ] - [ 0.0000000000000000, 0.0020987200000000, -0.0000966800000000 ] - [ 0.0000000000000000, -0.0007768100000000, -0.0000964500000000 ] - [ 0.0000000000000000, 0.0008833100000000, -0.0000927000000000 ] - [ -0.0001818800000000, -0.0015363500000000, -0.0014418000000000 ] - [ -0.0000627400000000, 0.0019689500000000, 0.0016231600000000 ] - [ 0.0079813600000000, 0.0027019900000000, 0.0099578600000000 ] - [ -0.0008836400000000, 0.0023771300000000, 0.0000827800000000 ] - [ 0.0094166500000000, 0.0021736100000000, -0.0043346600000000 ] - [ -0.0000643900000000, 0.0021002100000000, -0.0007367900000000 ] - [ 0.0001510900000000, -0.0012509500000000, 0.0014986100000000 ] - [ -0.0001039200000000, 0.0015953800000000, -0.0013864900000000 ] - [ 0.0001818800000000, -0.0015363500000000, -0.0014418000000000 ] - [ 0.0000627400000000, 0.0019689500000000, 0.0016231600000000 ] - [ -0.0079813600000000, 0.0027019900000000, 0.0099578600000000 ] - [ 0.0008836400000000, 0.0023771300000000, 0.0000827800000000 ] - [ 0.0000000000000000, 0.0026733000000000, -0.0035419800000000 ] - [ 0.0000000000000000, 0.0026400000000000, 0.0036792300000000 ] - [ 0.0000000000000000, 0.0004126400000000, 0.0010422400000000 ] - [ 0.0000000000000000, 0.0004196900000000, -0.0008608300000000 ] - [ 0.0000687400000000, -0.0015279700000000, 0.0014448200000000 ] - [ -0.0000430900000000, 0.0019712100000000, -0.0016273200000000 ] - [ -0.0080083200000000, 0.0027443800000000, -0.0099071700000000 ] - [ 0.0007892000000000, 0.0023771900000000, -0.0000657900000000 ] - [ 0.0000000000000000, 0.0009269800000000, -0.0016698600000000 ] - [ 0.0000000000000000, 0.0009274200000000, 0.0014838700000000 ] - [ 0.0000000000000000, 0.0009234500000000, 0.0006746200000000 ] - [ 0.0000000000000000, 0.0009302600000000, -0.0008692200000000 ] - [ 0.0092559000000000, 0.0022293000000000, 0.0043384600000000 ] - [ -0.0001803900000000, 0.0020908500000000, 0.0007313600000000 ] - [ 0.0000413800000000, -0.0012448400000000, -0.0014950100000000 ] - [ -0.0002188200000000, 0.0015927900000000, 0.0013889600000000 ] - [ -0.0000687400000000, -0.0015279700000000, 0.0014448200000000 ] - [ 0.0000430900000000, 0.0019712100000000, -0.0016273200000000 ] - [ 0.0080083200000000, 0.0027443800000000, -0.0099071700000000 ] - [ -0.0007892000000000, 0.0023771900000000, -0.0000657900000000 ] - [ -0.0092559000000000, 0.0022293000000000, 0.0043384600000000 ] - [ 0.0001803900000000, 0.0020908500000000, 0.0007313600000000 ] - [ -0.0000413800000000, -0.0012448400000000, -0.0014950100000000 ] - [ 0.0002188200000000, 0.0015927900000000, 0.0013889600000000 ] - [ 0.0000000000000000, 0.0017115400000000, 0.0000667500000000 ] - [ 0.0000000000000000, 0.0011704100000000, 0.0000946900000000 ] - [ 0.0000000000000000, -0.0008311500000000, 0.0000904600000000 ] - [ 0.0000000000000000, 0.0010112900000000, 0.0000953900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024410300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000086200000000 ] - [ 0.0000000000000000, -0.0007364100000000, 0.0029993600000000 ] - [ 0.0000000000000000, 0.0007364100000000, 0.0029993600000000 ] - [ 0.0000000000000000, 0.0003939300000000, -0.0015613300000000 ] - [ 0.0000000000000000, -0.0003939300000000, -0.0015613300000000 ] - [ 0.0000000000000000, -0.0008335900000000, 0.0055254100000000 ] - [ 0.0000000000000000, 0.0008335900000000, 0.0055254100000000 ] - [ 0.0000000000000000, 0.0006440800000000, -0.0019840600000000 ] - [ 0.0000000000000000, -0.0006440800000000, -0.0019840600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0211852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001615600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000843100000000 ] - [ -0.0016526800000000, 0.0040358100000000, -0.0011206800000000 ] - [ -0.0016526800000000, -0.0040358100000000, -0.0011206800000000 ] - [ 0.0008575600000000, -0.0044404900000000, -0.0052640300000000 ] - [ 0.0008575600000000, 0.0044404900000000, -0.0052640300000000 ] - [ -0.0136510700000000, 0.0000000000000000, 0.0213357600000000 ] - [ 0.0007255300000000, 0.0000000000000000, 0.0035766700000000 ] - [ -0.0015169900000000, 0.0000000000000000, -0.0063455000000000 ] - [ -0.0006818200000000, 0.0000000000000000, -0.0037517400000000 ] - [ 0.0136510700000000, 0.0000000000000000, 0.0213357600000000 ] - [ -0.0007255300000000, 0.0000000000000000, 0.0035766700000000 ] - [ 0.0015169900000000, 0.0000000000000000, -0.0063455000000000 ] - [ 0.0006818200000000, 0.0000000000000000, -0.0037517400000000 ] - [ 0.0016526800000000, 0.0040358100000000, -0.0011206800000000 ] - [ 0.0016526800000000, -0.0040358100000000, -0.0011206800000000 ] - [ -0.0008575600000000, -0.0044404900000000, -0.0052640300000000 ] - [ -0.0008575600000000, 0.0044404900000000, -0.0052640300000000 ] - [ 0.0068450800000000, -0.0031259800000000, -0.0030218200000000 ] - [ 0.0000358600000000, 0.0013123300000000, -0.0015734800000000 ] - [ 0.0000456300000000, -0.0010726100000000, 0.0029581700000000 ] - [ -0.0002522800000000, -0.0014709800000000, 0.0021401100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0908762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008971100000000 ] - [ -0.0025246300000000, -0.0015341500000000, 0.0029315500000000 ] - [ -0.0001766500000000, 0.0014623500000000, 0.0016252700000000 ] - [ 0.0089156400000000, 0.0105270600000000, 0.0090590400000000 ] - [ -0.0000244600000000, -0.0014268500000000, -0.0012163100000000 ] - [ -0.0068450800000000, -0.0031259800000000, -0.0030218200000000 ] - [ -0.0000358600000000, 0.0013123300000000, -0.0015734800000000 ] - [ -0.0000456300000000, -0.0010726100000000, 0.0029581700000000 ] - [ 0.0002522800000000, -0.0014709800000000, 0.0021401100000000 ] - [ 0.0025246300000000, -0.0015341500000000, 0.0029315500000000 ] - [ 0.0001766500000000, 0.0014623500000000, 0.0016252700000000 ] - [ -0.0089156400000000, 0.0105270600000000, 0.0090590400000000 ] - [ 0.0000244600000000, -0.0014268500000000, -0.0012163100000000 ] - [ 0.0000000000000000, -0.0035913300000000, 0.0010754700000000 ] - [ 0.0000000000000000, 0.0035913300000000, 0.0010754700000000 ] - [ 0.0000000000000000, 0.0009554000000000, 0.0017722000000000 ] - [ 0.0000000000000000, -0.0009554000000000, 0.0017722000000000 ] - [ -0.0025246300000000, 0.0015341500000000, 0.0029315500000000 ] - [ -0.0001766500000000, -0.0014623500000000, 0.0016252700000000 ] - [ 0.0089156400000000, -0.0105270600000000, 0.0090590400000000 ] - [ -0.0000244600000000, 0.0014268500000000, -0.0012163100000000 ] - [ 0.0000000000000000, -0.0007781000000000, 0.0006667600000000 ] - [ 0.0000000000000000, 0.0007781000000000, 0.0006667600000000 ] - [ 0.0000000000000000, 0.0015810100000000, 0.0006533800000000 ] - [ 0.0000000000000000, -0.0015810100000000, 0.0006533800000000 ] - [ 0.0068450800000000, 0.0031259800000000, -0.0030218200000000 ] - [ 0.0000358600000000, -0.0013123300000000, -0.0015734800000000 ] - [ 0.0000456300000000, 0.0010726100000000, 0.0029581700000000 ] - [ -0.0002522800000000, 0.0014709800000000, 0.0021401100000000 ] - [ 0.0025246300000000, 0.0015341500000000, 0.0029315500000000 ] - [ 0.0001766500000000, -0.0014623500000000, 0.0016252700000000 ] - [ -0.0089156400000000, -0.0105270600000000, 0.0090590400000000 ] - [ 0.0000244600000000, 0.0014268500000000, -0.0012163100000000 ] - [ -0.0068450800000000, 0.0031259800000000, -0.0030218200000000 ] - [ -0.0000358600000000, -0.0013123300000000, -0.0015734800000000 ] - [ -0.0000456300000000, 0.0010726100000000, 0.0029581700000000 ] - [ 0.0002522800000000, 0.0014709800000000, 0.0021401100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040348000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013607800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010597100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023940400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000889200000000 ] - [ 0.0000000000000000, 0.0007628500000000, -0.0029021500000000 ] - [ 0.0000000000000000, -0.0007628500000000, -0.0029021500000000 ] - [ 0.0000000000000000, -0.0003979200000000, 0.0016520300000000 ] - [ 0.0000000000000000, 0.0003979200000000, 0.0016520300000000 ] - [ 0.0000000000000000, 0.0009158000000000, -0.0056165900000000 ] - [ 0.0000000000000000, -0.0009158000000000, -0.0056165900000000 ] - [ 0.0000000000000000, -0.0006607800000000, 0.0019100300000000 ] - [ 0.0000000000000000, 0.0006607800000000, 0.0019100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0228795200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099105000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001740800000000 ] - [ 0.0016836100000000, -0.0040306500000000, 0.0010593600000000 ] - [ 0.0016836100000000, 0.0040306500000000, 0.0010593600000000 ] - [ -0.0008543400000000, 0.0044343200000000, 0.0052842500000000 ] - [ -0.0008543400000000, -0.0044343200000000, 0.0052842500000000 ] - [ 0.0135392500000000, 0.0000000000000000, -0.0215033700000000 ] - [ -0.0007311100000000, 0.0000000000000000, -0.0035816300000000 ] - [ 0.0015393100000000, 0.0000000000000000, 0.0063886700000000 ] - [ 0.0006823200000000, 0.0000000000000000, 0.0037595300000000 ] - [ -0.0135392500000000, 0.0000000000000000, -0.0215033700000000 ] - [ 0.0007311100000000, 0.0000000000000000, -0.0035816300000000 ] - [ -0.0015393100000000, 0.0000000000000000, 0.0063886700000000 ] - [ -0.0006823200000000, 0.0000000000000000, 0.0037595300000000 ] - [ -0.0016836100000000, -0.0040306500000000, 0.0010593600000000 ] - [ -0.0016836100000000, 0.0040306500000000, 0.0010593600000000 ] - [ 0.0008543400000000, 0.0044343200000000, 0.0052842500000000 ] - [ 0.0008543400000000, -0.0044343200000000, 0.0052842500000000 ] - [ -0.0069441500000000, 0.0030847100000000, 0.0031099100000000 ] - [ -0.0001456400000000, -0.0013126400000000, 0.0015819200000000 ] - [ -0.0001547700000000, 0.0010813500000000, -0.0029779600000000 ] - [ 0.0001370500000000, 0.0014659200000000, -0.0021415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0925138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008737400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010980800000000 ] - [ 0.0024586300000000, 0.0015765200000000, -0.0029493900000000 ] - [ 0.0000695100000000, -0.0014659400000000, -0.0016228000000000 ] - [ -0.0088993300000000, -0.0104310900000000, -0.0090266300000000 ] - [ -0.0000903200000000, 0.0014281700000000, 0.0012118800000000 ] - [ 0.0069441500000000, 0.0030847100000000, 0.0031099100000000 ] - [ 0.0001456400000000, -0.0013126400000000, 0.0015819200000000 ] - [ 0.0001547700000000, 0.0010813500000000, -0.0029779600000000 ] - [ -0.0001370500000000, 0.0014659200000000, -0.0021415500000000 ] - [ -0.0024586300000000, 0.0015765200000000, -0.0029493900000000 ] - [ -0.0000695100000000, -0.0014659400000000, -0.0016228000000000 ] - [ 0.0088993300000000, -0.0104310900000000, -0.0090266300000000 ] - [ 0.0000903200000000, 0.0014281700000000, 0.0012118800000000 ] - [ 0.0000000000000000, 0.0036306900000000, -0.0008763100000000 ] - [ 0.0000000000000000, -0.0036306900000000, -0.0008763100000000 ] - [ 0.0000000000000000, -0.0009519700000000, -0.0015925400000000 ] - [ 0.0000000000000000, 0.0009519700000000, -0.0015925400000000 ] - [ 0.0024586300000000, -0.0015765200000000, -0.0029493900000000 ] - [ 0.0000695100000000, 0.0014659400000000, -0.0016228000000000 ] - [ -0.0088993300000000, 0.0104310900000000, -0.0090266300000000 ] - [ -0.0000903200000000, -0.0014281700000000, 0.0012118800000000 ] - [ 0.0000000000000000, 0.0007763400000000, -0.0008399500000000 ] - [ 0.0000000000000000, -0.0007763400000000, -0.0008399500000000 ] - [ 0.0000000000000000, -0.0015757500000000, -0.0008493200000000 ] - [ 0.0000000000000000, 0.0015757500000000, -0.0008493200000000 ] - [ -0.0069441500000000, -0.0030847100000000, 0.0031099100000000 ] - [ -0.0001456400000000, 0.0013126400000000, 0.0015819200000000 ] - [ -0.0001547700000000, -0.0010813500000000, -0.0029779600000000 ] - [ 0.0001370500000000, -0.0014659200000000, -0.0021415500000000 ] - [ -0.0024586300000000, -0.0015765200000000, -0.0029493900000000 ] - [ -0.0000695100000000, 0.0014659400000000, -0.0016228000000000 ] - [ 0.0088993300000000, 0.0104310900000000, -0.0090266300000000 ] - [ 0.0000903200000000, -0.0014281700000000, 0.0012118800000000 ] - [ 0.0069441500000000, -0.0030847100000000, 0.0031099100000000 ] - [ 0.0001456400000000, 0.0013126400000000, 0.0015819200000000 ] - [ 0.0001547700000000, -0.0010813500000000, -0.0029779600000000 ] - [ -0.0001370500000000, -0.0014659200000000, -0.0021415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038566400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011714200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008638100000000 ]