# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8c6e8988-59ff-43aa-8ced-5a9d69239aee/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 Sr4TiP4 / P-43n (218) / materials id 15500](https://mdr.nims.go.jp/datasets/014170f8-ddc1-4076-aaf9-f2ca554d3259) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-43n" number: 218 Hall_symbol: "P -4n 2 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.489511370000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.489511370000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.489511370000001 ] # c points: - symbol: P # 1 coordinates: [ 0.890904590000000, 0.890904590000000, 0.890904590000000 ] mass: 30.973762 - symbol: P # 2 coordinates: [ 0.609095410000000, 0.390904590000000, 0.609095410000000 ] mass: 30.973762 - symbol: P # 3 coordinates: [ 0.390904590000000, 0.609095410000000, 0.609095410000000 ] mass: 30.973762 - symbol: P # 4 coordinates: [ 0.609095410000000, 0.609095410000000, 0.390904590000000 ] mass: 30.973762 - symbol: P # 5 coordinates: [ 0.890904590000000, 0.109095410000000, 0.109095410000000 ] mass: 30.973762 - symbol: P # 6 coordinates: [ 0.109095410000000, 0.109095410000000, 0.890904590000000 ] mass: 30.973762 - symbol: P # 7 coordinates: [ 0.109095410000000, 0.890904590000000, 0.109095410000000 ] mass: 30.973762 - symbol: P # 8 coordinates: [ 0.390904590000000, 0.390904590000000, 0.390904590000000 ] mass: 30.973762 - symbol: P # 9 coordinates: [ 0.645358820000000, 0.892008460000000, 0.614898960000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.645358820000000, 0.107991540000000, 0.385101040000000 ] mass: 30.973762 - symbol: P # 11 coordinates: [ 0.892008460000000, 0.614898960000000, 0.645358820000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.107991540000000, 0.614898960000000, 0.354641180000000 ] mass: 30.973762 - symbol: P # 13 coordinates: [ 0.614898960000000, 0.645358820000000, 0.892008460000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.385101040000000, 0.354641180000000, 0.892008460000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.854641180000000, 0.885101040000000, 0.392008460000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.854641180000000, 0.114898960000000, 0.607991540000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.145358820000000, 0.885101040000000, 0.607991540000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.114898960000000, 0.607991540000000, 0.854641180000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.607991540000000, 0.145358820000000, 0.885101040000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.607991540000000, 0.854641180000000, 0.114898960000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.885101040000000, 0.392008460000000, 0.854641180000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.392008460000000, 0.854641180000000, 0.885101040000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.885101040000000, 0.607991540000000, 0.145358820000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.114898960000000, 0.392008460000000, 0.145358820000000 ] mass: 30.973762 - symbol: P # 25 coordinates: [ 0.392008460000000, 0.145358820000000, 0.114898960000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.385101040000000, 0.645358820000000, 0.107991540000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.614898960000000, 0.354641180000000, 0.107991540000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.892008460000000, 0.385101040000000, 0.354641180000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.107991540000000, 0.385101040000000, 0.645358820000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.354641180000000, 0.107991540000000, 0.614898960000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.354641180000000, 0.892008460000000, 0.385101040000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.145358820000000, 0.114898960000000, 0.392008460000000 ] mass: 30.973762 - symbol: Ti # 33 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 - symbol: Ti # 35 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 36 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 47.867000 - symbol: Ti # 37 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 47.867000 - symbol: Ti # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 47.867000 - symbol: Ti # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 47.867000 - symbol: Ti # 40 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Sr # 41 coordinates: [ 0.148052380000000, 0.148052380000000, 0.148052380000000 ] mass: 87.620000 - symbol: Sr # 42 coordinates: [ 0.351947620000000, 0.648052380000000, 0.351947620000000 ] mass: 87.620000 - symbol: Sr # 43 coordinates: [ 0.648052380000000, 0.351947620000000, 0.351947620000000 ] mass: 87.620000 - symbol: Sr # 44 coordinates: [ 0.351947620000000, 0.351947620000000, 0.648052380000000 ] mass: 87.620000 - symbol: Sr # 45 coordinates: [ 0.148052380000000, 0.851947620000000, 0.851947620000000 ] mass: 87.620000 - symbol: Sr # 46 coordinates: [ 0.851947620000000, 0.851947620000000, 0.148052380000000 ] mass: 87.620000 - symbol: Sr # 47 coordinates: [ 0.851947620000000, 0.148052380000000, 0.851947620000000 ] mass: 87.620000 - symbol: Sr # 48 coordinates: [ 0.648052380000000, 0.648052380000000, 0.648052380000000 ] mass: 87.620000 - symbol: Sr # 49 coordinates: [ 0.905867530000000, 0.862486160000000, 0.647923010000000 ] mass: 87.620000 - symbol: Sr # 50 coordinates: [ 0.905867530000000, 0.137513840000000, 0.352076990000000 ] mass: 87.620000 - symbol: Sr # 51 coordinates: [ 0.862486160000000, 0.647923010000000, 0.905867530000000 ] mass: 87.620000 - symbol: Sr # 52 coordinates: [ 0.137513840000000, 0.647923010000000, 0.094132470000000 ] mass: 87.620000 - symbol: Sr # 53 coordinates: [ 0.647923010000000, 0.905867530000000, 0.862486160000000 ] mass: 87.620000 - symbol: Sr # 54 coordinates: [ 0.352076990000000, 0.094132470000000, 0.862486160000000 ] mass: 87.620000 - symbol: Sr # 55 coordinates: [ 0.594132470000000, 0.852076990000000, 0.362486160000000 ] mass: 87.620000 - symbol: Sr # 56 coordinates: [ 0.594132470000000, 0.147923010000000, 0.637513840000000 ] mass: 87.620000 - symbol: Sr # 57 coordinates: [ 0.405867530000000, 0.852076990000000, 0.637513840000000 ] mass: 87.620000 - symbol: Sr # 58 coordinates: [ 0.147923010000000, 0.637513840000000, 0.594132470000000 ] mass: 87.620000 - symbol: Sr # 59 coordinates: [ 0.637513840000000, 0.405867530000000, 0.852076990000000 ] mass: 87.620000 - symbol: Sr # 60 coordinates: [ 0.637513840000000, 0.594132470000000, 0.147923010000000 ] mass: 87.620000 - symbol: Sr # 61 coordinates: [ 0.852076990000000, 0.362486160000000, 0.594132470000000 ] mass: 87.620000 - symbol: Sr # 62 coordinates: [ 0.362486160000000, 0.594132470000000, 0.852076990000000 ] mass: 87.620000 - symbol: Sr # 63 coordinates: [ 0.852076990000000, 0.637513840000000, 0.405867530000000 ] mass: 87.620000 - symbol: Sr # 64 coordinates: [ 0.147923010000000, 0.362486160000000, 0.405867530000000 ] mass: 87.620000 - symbol: Sr # 65 coordinates: [ 0.362486160000000, 0.405867530000000, 0.147923010000000 ] mass: 87.620000 - symbol: Sr # 66 coordinates: [ 0.352076990000000, 0.905867530000000, 0.137513840000000 ] mass: 87.620000 - symbol: Sr # 67 coordinates: [ 0.647923010000000, 0.094132470000000, 0.137513840000000 ] mass: 87.620000 - symbol: Sr # 68 coordinates: [ 0.862486160000000, 0.352076990000000, 0.094132470000000 ] mass: 87.620000 - symbol: Sr # 69 coordinates: [ 0.137513840000000, 0.352076990000000, 0.905867530000000 ] mass: 87.620000 - symbol: Sr # 70 coordinates: [ 0.094132470000000, 0.137513840000000, 0.647923010000000 ] mass: 87.620000 - symbol: Sr # 71 coordinates: [ 0.094132470000000, 0.862486160000000, 0.352076990000000 ] mass: 87.620000 - symbol: Sr # 72 coordinates: [ 0.405867530000000, 0.147923010000000, 0.362486160000000 ] mass: 87.620000 reciprocal_lattice: # without 2pi - [ 0.080067183605118, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.080067183605118, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.080067183605118 ] # c*unit_cell: lattice: - [ 12.489511370000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.489511370000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.489511370000001 ] # c points: - symbol: P # 1 coordinates: [ 0.890904590000000, 0.890904590000000, 0.890904590000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.609095410000000, 0.390904590000000, 0.609095410000000 ] mass: 30.973762 reduced_to: 2 - symbol: P # 3 coordinates: [ 0.390904590000000, 0.609095410000000, 0.609095410000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 4 coordinates: [ 0.609095410000000, 0.609095410000000, 0.390904590000000 ] mass: 30.973762 reduced_to: 4 - symbol: P # 5 coordinates: [ 0.890904590000000, 0.109095410000000, 0.109095410000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.109095410000000, 0.109095410000000, 0.890904590000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.109095410000000, 0.890904590000000, 0.109095410000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.390904590000000, 0.390904590000000, 0.390904590000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.645358820000000, 0.892008460000000, 0.614898960000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.645358820000000, 0.107991540000000, 0.385101040000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 11 coordinates: [ 0.892008460000000, 0.614898960000000, 0.645358820000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 12 coordinates: [ 0.107991540000000, 0.614898960000000, 0.354641180000000 ] mass: 30.973762 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.614898960000000, 0.645358820000000, 0.892008460000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.385101040000000, 0.354641180000000, 0.892008460000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.854641180000000, 0.885101040000000, 0.392008460000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.854641180000000, 0.114898960000000, 0.607991540000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.145358820000000, 0.885101040000000, 0.607991540000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.114898960000000, 0.607991540000000, 0.854641180000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.607991540000000, 0.145358820000000, 0.885101040000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.607991540000000, 0.854641180000000, 0.114898960000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.885101040000000, 0.392008460000000, 0.854641180000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.392008460000000, 0.854641180000000, 0.885101040000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.885101040000000, 0.607991540000000, 0.145358820000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.114898960000000, 0.392008460000000, 0.145358820000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.392008460000000, 0.145358820000000, 0.114898960000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.385101040000000, 0.645358820000000, 0.107991540000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.614898960000000, 0.354641180000000, 0.107991540000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.892008460000000, 0.385101040000000, 0.354641180000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.107991540000000, 0.385101040000000, 0.645358820000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.354641180000000, 0.107991540000000, 0.614898960000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.354641180000000, 0.892008460000000, 0.385101040000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.145358820000000, 0.114898960000000, 0.392008460000000 ] mass: 30.973762 reduced_to: 32 - symbol: Ti # 33 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 34 - symbol: Ti # 35 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 36 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 36 - symbol: Ti # 37 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 38 - symbol: Ti # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 40 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 40 - symbol: Sr # 41 coordinates: [ 0.148052380000000, 0.148052380000000, 0.148052380000000 ] mass: 87.620000 reduced_to: 41 - symbol: Sr # 42 coordinates: [ 0.351947620000000, 0.648052380000000, 0.351947620000000 ] mass: 87.620000 reduced_to: 42 - symbol: Sr # 43 coordinates: [ 0.648052380000000, 0.351947620000000, 0.351947620000000 ] mass: 87.620000 reduced_to: 43 - symbol: Sr # 44 coordinates: [ 0.351947620000000, 0.351947620000000, 0.648052380000000 ] mass: 87.620000 reduced_to: 44 - symbol: Sr # 45 coordinates: [ 0.148052380000000, 0.851947620000000, 0.851947620000000 ] mass: 87.620000 reduced_to: 45 - symbol: Sr # 46 coordinates: [ 0.851947620000000, 0.851947620000000, 0.148052380000000 ] mass: 87.620000 reduced_to: 46 - symbol: Sr # 47 coordinates: [ 0.851947620000000, 0.148052380000000, 0.851947620000000 ] mass: 87.620000 reduced_to: 47 - symbol: Sr # 48 coordinates: [ 0.648052380000000, 0.648052380000000, 0.648052380000000 ] mass: 87.620000 reduced_to: 48 - symbol: Sr # 49 coordinates: [ 0.905867530000000, 0.862486160000000, 0.647923010000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 50 coordinates: [ 0.905867530000000, 0.137513840000000, 0.352076990000000 ] mass: 87.620000 reduced_to: 50 - symbol: Sr # 51 coordinates: [ 0.862486160000000, 0.647923010000000, 0.905867530000000 ] mass: 87.620000 reduced_to: 51 - symbol: Sr # 52 coordinates: [ 0.137513840000000, 0.647923010000000, 0.094132470000000 ] mass: 87.620000 reduced_to: 52 - symbol: Sr # 53 coordinates: [ 0.647923010000000, 0.905867530000000, 0.862486160000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 54 coordinates: [ 0.352076990000000, 0.094132470000000, 0.862486160000000 ] mass: 87.620000 reduced_to: 54 - symbol: Sr # 55 coordinates: [ 0.594132470000000, 0.852076990000000, 0.362486160000000 ] mass: 87.620000 reduced_to: 55 - symbol: Sr # 56 coordinates: [ 0.594132470000000, 0.147923010000000, 0.637513840000000 ] mass: 87.620000 reduced_to: 56 - symbol: Sr # 57 coordinates: [ 0.405867530000000, 0.852076990000000, 0.637513840000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 58 coordinates: [ 0.147923010000000, 0.637513840000000, 0.594132470000000 ] mass: 87.620000 reduced_to: 58 - symbol: Sr # 59 coordinates: [ 0.637513840000000, 0.405867530000000, 0.852076990000000 ] mass: 87.620000 reduced_to: 59 - symbol: Sr # 60 coordinates: [ 0.637513840000000, 0.594132470000000, 0.147923010000000 ] mass: 87.620000 reduced_to: 60 - symbol: Sr # 61 coordinates: [ 0.852076990000000, 0.362486160000000, 0.594132470000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 62 coordinates: [ 0.362486160000000, 0.594132470000000, 0.852076990000000 ] mass: 87.620000 reduced_to: 62 - symbol: Sr # 63 coordinates: [ 0.852076990000000, 0.637513840000000, 0.405867530000000 ] mass: 87.620000 reduced_to: 63 - symbol: Sr # 64 coordinates: [ 0.147923010000000, 0.362486160000000, 0.405867530000000 ] mass: 87.620000 reduced_to: 64 - symbol: Sr # 65 coordinates: [ 0.362486160000000, 0.405867530000000, 0.147923010000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 66 coordinates: [ 0.352076990000000, 0.905867530000000, 0.137513840000000 ] mass: 87.620000 reduced_to: 66 - symbol: Sr # 67 coordinates: [ 0.647923010000000, 0.094132470000000, 0.137513840000000 ] mass: 87.620000 reduced_to: 67 - symbol: Sr # 68 coordinates: [ 0.862486160000000, 0.352076990000000, 0.094132470000000 ] mass: 87.620000 reduced_to: 68 - symbol: Sr # 69 coordinates: [ 0.137513840000000, 0.352076990000000, 0.905867530000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 70 coordinates: [ 0.094132470000000, 0.137513840000000, 0.647923010000000 ] mass: 87.620000 reduced_to: 70 - symbol: Sr # 71 coordinates: [ 0.094132470000000, 0.862486160000000, 0.352076990000000 ] mass: 87.620000 reduced_to: 71 - symbol: Sr # 72 coordinates: [ 0.405867530000000, 0.147923010000000, 0.362486160000000 ] mass: 87.620000 reduced_to: 72supercell: lattice: - [ 12.489511370000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.489511370000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.489511370000001 ] # c points: - symbol: P # 1 coordinates: [ 0.890904590000000, 0.890904590000000, 0.890904590000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.609095410000000, 0.390904590000000, 0.609095410000000 ] mass: 30.973762 reduced_to: 2 - symbol: P # 3 coordinates: [ 0.390904590000000, 0.609095410000000, 0.609095410000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 4 coordinates: [ 0.609095410000000, 0.609095410000000, 0.390904590000000 ] mass: 30.973762 reduced_to: 4 - symbol: P # 5 coordinates: [ 0.890904590000000, 0.109095410000000, 0.109095410000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.109095410000000, 0.109095410000000, 0.890904590000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.109095410000000, 0.890904590000000, 0.109095410000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.390904590000000, 0.390904590000000, 0.390904590000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.645358820000000, 0.892008460000000, 0.614898960000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.645358820000000, 0.107991540000000, 0.385101040000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 11 coordinates: [ 0.892008460000000, 0.614898960000000, 0.645358820000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 12 coordinates: [ 0.107991540000000, 0.614898960000000, 0.354641180000000 ] mass: 30.973762 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.614898960000000, 0.645358820000000, 0.892008460000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.385101040000000, 0.354641180000000, 0.892008460000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.854641180000000, 0.885101040000000, 0.392008460000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.854641180000000, 0.114898960000000, 0.607991540000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.145358820000000, 0.885101040000000, 0.607991540000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.114898960000000, 0.607991540000000, 0.854641180000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.607991540000000, 0.145358820000000, 0.885101040000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.607991540000000, 0.854641180000000, 0.114898960000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.885101040000000, 0.392008460000000, 0.854641180000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.392008460000000, 0.854641180000000, 0.885101040000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.885101040000000, 0.607991540000000, 0.145358820000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.114898960000000, 0.392008460000000, 0.145358820000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.392008460000000, 0.145358820000000, 0.114898960000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.385101040000000, 0.645358820000000, 0.107991540000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.614898960000000, 0.354641180000000, 0.107991540000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.892008460000000, 0.385101040000000, 0.354641180000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.107991540000000, 0.385101040000000, 0.645358820000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.354641180000000, 0.107991540000000, 0.614898960000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.354641180000000, 0.892008460000000, 0.385101040000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.145358820000000, 0.114898960000000, 0.392008460000000 ] mass: 30.973762 reduced_to: 32 - symbol: Ti # 33 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 34 - symbol: Ti # 35 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 36 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 36 - symbol: Ti # 37 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 38 - symbol: Ti # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 40 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 40 - symbol: Sr # 41 coordinates: [ 0.148052380000000, 0.148052380000000, 0.148052380000000 ] mass: 87.620000 reduced_to: 41 - symbol: Sr # 42 coordinates: [ 0.351947620000000, 0.648052380000000, 0.351947620000000 ] mass: 87.620000 reduced_to: 42 - symbol: Sr # 43 coordinates: [ 0.648052380000000, 0.351947620000000, 0.351947620000000 ] mass: 87.620000 reduced_to: 43 - symbol: Sr # 44 coordinates: [ 0.351947620000000, 0.351947620000000, 0.648052380000000 ] mass: 87.620000 reduced_to: 44 - symbol: Sr # 45 coordinates: [ 0.148052380000000, 0.851947620000000, 0.851947620000000 ] mass: 87.620000 reduced_to: 45 - symbol: Sr # 46 coordinates: [ 0.851947620000000, 0.851947620000000, 0.148052380000000 ] mass: 87.620000 reduced_to: 46 - symbol: Sr # 47 coordinates: [ 0.851947620000000, 0.148052380000000, 0.851947620000000 ] mass: 87.620000 reduced_to: 47 - symbol: Sr # 48 coordinates: [ 0.648052380000000, 0.648052380000000, 0.648052380000000 ] mass: 87.620000 reduced_to: 48 - symbol: Sr # 49 coordinates: [ 0.905867530000000, 0.862486160000000, 0.647923010000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 50 coordinates: [ 0.905867530000000, 0.137513840000000, 0.352076990000000 ] mass: 87.620000 reduced_to: 50 - symbol: Sr # 51 coordinates: [ 0.862486160000000, 0.647923010000000, 0.905867530000000 ] mass: 87.620000 reduced_to: 51 - symbol: Sr # 52 coordinates: [ 0.137513840000000, 0.647923010000000, 0.094132470000000 ] mass: 87.620000 reduced_to: 52 - symbol: Sr # 53 coordinates: [ 0.647923010000000, 0.905867530000000, 0.862486160000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 54 coordinates: [ 0.352076990000000, 0.094132470000000, 0.862486160000000 ] mass: 87.620000 reduced_to: 54 - symbol: Sr # 55 coordinates: [ 0.594132470000000, 0.852076990000000, 0.362486160000000 ] mass: 87.620000 reduced_to: 55 - symbol: Sr # 56 coordinates: [ 0.594132470000000, 0.147923010000000, 0.637513840000000 ] mass: 87.620000 reduced_to: 56 - symbol: Sr # 57 coordinates: [ 0.405867530000000, 0.852076990000000, 0.637513840000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 58 coordinates: [ 0.147923010000000, 0.637513840000000, 0.594132470000000 ] mass: 87.620000 reduced_to: 58 - symbol: Sr # 59 coordinates: [ 0.637513840000000, 0.405867530000000, 0.852076990000000 ] mass: 87.620000 reduced_to: 59 - symbol: Sr # 60 coordinates: [ 0.637513840000000, 0.594132470000000, 0.147923010000000 ] mass: 87.620000 reduced_to: 60 - symbol: Sr # 61 coordinates: [ 0.852076990000000, 0.362486160000000, 0.594132470000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 62 coordinates: [ 0.362486160000000, 0.594132470000000, 0.852076990000000 ] mass: 87.620000 reduced_to: 62 - symbol: Sr # 63 coordinates: [ 0.852076990000000, 0.637513840000000, 0.405867530000000 ] mass: 87.620000 reduced_to: 63 - symbol: Sr # 64 coordinates: [ 0.147923010000000, 0.362486160000000, 0.405867530000000 ] mass: 87.620000 reduced_to: 64 - symbol: Sr # 65 coordinates: [ 0.362486160000000, 0.405867530000000, 0.147923010000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 66 coordinates: [ 0.352076990000000, 0.905867530000000, 0.137513840000000 ] mass: 87.620000 reduced_to: 66 - symbol: Sr # 67 coordinates: [ 0.647923010000000, 0.094132470000000, 0.137513840000000 ] mass: 87.620000 reduced_to: 67 - symbol: Sr # 68 coordinates: [ 0.862486160000000, 0.352076990000000, 0.094132470000000 ] mass: 87.620000 reduced_to: 68 - symbol: Sr # 69 coordinates: [ 0.137513840000000, 0.352076990000000, 0.905867530000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 70 coordinates: [ 0.094132470000000, 0.137513840000000, 0.647923010000000 ] mass: 87.620000 reduced_to: 70 - symbol: Sr # 71 coordinates: [ 0.094132470000000, 0.862486160000000, 0.352076990000000 ] mass: 87.620000 reduced_to: 71 - symbol: Sr # 72 coordinates: [ 0.405867530000000, 0.147923010000000, 0.362486160000000 ] mass: 87.620000 reduced_to: 72displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0633253200000000, -0.0266904400000000, -0.0266267400000000 ] - [ 0.0000588600000000, 0.0000218000000000, 0.0001000200000000 ] - [ 0.0002500000000000, -0.0000226200000000, 0.0000858200000000 ] - [ 0.0000586500000000, 0.0002013400000000, -0.0000856600000000 ] - [ -0.0068452500000000, 0.0013669000000000, 0.0014624200000000 ] - [ 0.0044203100000000, 0.0051996700000000, -0.0013665300000000 ] - [ 0.0046677000000000, -0.0014602900000000, 0.0052020600000000 ] - [ 0.0002424500000000, 0.0002131200000000, 0.0000745700000000 ] - [ 0.0000662000000000, -0.0006863000000000, 0.0025350100000000 ] - [ 0.0001863400000000, -0.0005223000000000, 0.0006935700000000 ] - [ -0.0008154900000000, 0.0007696300000000, 0.0001812300000000 ] - [ -0.0001345100000000, -0.0004087000000000, 0.0000828000000000 ] - [ 0.0016973500000000, 0.0010058500000000, -0.0006142500000000 ] - [ 0.0008316800000000, 0.0000686300000000, 0.0000995200000000 ] - [ -0.0006305100000000, 0.0001154900000000, 0.0002031700000000 ] - [ -0.0006127200000000, -0.0005400500000000, 0.0004948500000000 ] - [ 0.0001905200000000, 0.0001190600000000, -0.0010182100000000 ] - [ -0.0003304500000000, -0.0012554800000000, -0.0004718900000000 ] - [ 0.0015218100000000, -0.0023676100000000, -0.0007893000000000 ] - [ 0.0018981500000000, 0.0004411200000000, -0.0012525900000000 ] - [ -0.0004551500000000, 0.0001251100000000, -0.0000269000000000 ] - [ 0.0036635000000000, -0.0002980700000000, 0.0004816800000000 ] - [ -0.0007222900000000, 0.0005918600000000, -0.0006741700000000 ] - [ -0.0001676600000000, 0.0005895800000000, 0.0004780100000000 ] - [ 0.0010871900000000, 0.0005878000000000, -0.0004195400000000 ] - [ 0.0011992500000000, 0.0003634500000000, -0.0005705200000000 ] - [ -0.0002550500000000, 0.0000429600000000, -0.0003274300000000 ] - [ -0.0002041300000000, 0.0000517900000000, 0.0002108800000000 ] - [ -0.0002969200000000, 0.0004583700000000, -0.0000814900000000 ] - [ 0.0006773700000000, 0.0001522700000000, -0.0000886400000000 ] - [ 0.0007878000000000, -0.0002715800000000, -0.0000997700000000 ] - [ 0.0001997800000000, 0.0001068400000000, 0.0004132700000000 ] - [ -0.0001684300000000, -0.0000740800000000, -0.0000017300000000 ] - [ 0.0322952400000000, 0.0225610500000000, 0.0223005700000000 ] - [ 0.0006967200000000, 0.0006428800000000, -0.0006206300000000 ] - [ -0.0011455200000000, 0.0001226500000000, -0.0001875600000000 ] - [ -0.0008744800000000, 0.0003346700000000, 0.0010612500000000 ] - [ 0.0006344500000000, -0.0002351900000000, 0.0000249900000000 ] - [ 0.0010998700000000, -0.0001426900000000, 0.0003409100000000 ] - [ -0.0005195700000000, 0.0000453400000000, 0.0001405300000000 ] - [ -0.0008678700000000, -0.0014542700000000, -0.0013373800000000 ] - [ -0.0002782200000000, 0.0001694100000000, 0.0001379600000000 ] - [ 0.0001332300000000, 0.0000074000000000, -0.0000636600000000 ] - [ -0.0001942000000000, -0.0002368900000000, 0.0000265000000000 ] - [ 0.0040124800000000, 0.0002938900000000, 0.0000290800000000 ] - [ 0.0029178300000000, 0.0007710400000000, 0.0011105100000000 ] - [ 0.0028031900000000, 0.0015291600000000, 0.0009563100000000 ] - [ -0.0001078300000000, -0.0005767200000000, -0.0006162000000000 ] - [ 0.0020581300000000, -0.0008610300000000, -0.0024816800000000 ] - [ 0.0001787800000000, -0.0000845400000000, -0.0010492600000000 ] - [ 0.0015871900000000, -0.0007298500000000, -0.0002513200000000 ] - [ -0.0005656100000000, 0.0012624200000000, 0.0000177000000000 ] - [ 0.0124269900000000, -0.0001088700000000, 0.0015214300000000 ] - [ -0.0020735800000000, 0.0002632600000000, 0.0001434700000000 ] - [ -0.0002113900000000, 0.0000059800000000, 0.0001438700000000 ] - [ -0.0004804900000000, 0.0003028600000000, -0.0002414700000000 ] - [ -0.0007312500000000, 0.0001804000000000, -0.0002421600000000 ] - [ -0.0001134500000000, 0.0002442700000000, 0.0000672600000000 ] - [ 0.0001155000000000, -0.0002331700000000, -0.0000324500000000 ] - [ 0.0001299700000000, -0.0004233100000000, 0.0003498100000000 ] - [ 0.0001317500000000, 0.0001778900000000, -0.0000277600000000 ] - [ -0.0006047100000000, -0.0001049700000000, -0.0001534700000000 ] - [ 0.0002148000000000, -0.0001154300000000, -0.0000623600000000 ] - [ -0.0001024000000000, -0.0001381800000000, -0.0000380700000000 ] - [ -0.0002184300000000, -0.0002081400000000, 0.0000213700000000 ] - [ -0.0021229600000000, 0.0002680600000000, 0.0000280200000000 ] - [ 0.0004315100000000, 0.0009363400000000, 0.0006440100000000 ] - [ 0.0001822600000000, -0.0008219700000000, 0.0000990000000000 ] - [ -0.0002436700000000, -0.0014633900000000, 0.0000045200000000 ] - [ 0.0005021800000000, -0.0004151400000000, 0.0012204500000000 ] - [ 0.0004846700000000, 0.0004065500000000, -0.0013838500000000 ] - [ -0.0003221300000000, -0.0001669300000000, 0.0001162500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0633845500000000, 0.0260339000000000, 0.0260989300000000 ] - [ -0.0001000000000000, 0.0000193200000000, -0.0001425200000000 ] - [ -0.0002093900000000, -0.0000200300000000, -0.0001287000000000 ] - [ -0.0001002200000000, -0.0002439900000000, 0.0001288200000000 ] - [ 0.0068526500000000, -0.0014167800000000, -0.0015111200000000 ] - [ -0.0044591000000000, -0.0052360700000000, 0.0014169000000000 ] - [ -0.0047054200000000, 0.0015133400000000, -0.0052336900000000 ] - [ -0.0002014500000000, -0.0001715900000000, -0.0000320600000000 ] - [ -0.0000264300000000, 0.0007033000000000, -0.0026170200000000 ] - [ -0.0001529100000000, 0.0005091300000000, -0.0006199500000000 ] - [ 0.0008318800000000, -0.0008420100000000, -0.0001475500000000 ] - [ 0.0001197500000000, 0.0003365100000000, -0.0001145700000000 ] - [ -0.0017622400000000, -0.0009819300000000, 0.0006283000000000 ] - [ -0.0007656200000000, -0.0000969000000000, -0.0000890000000000 ] - [ 0.0006028900000000, -0.0000476600000000, -0.0001939500000000 ] - [ 0.0005902000000000, 0.0004686200000000, -0.0005001100000000 ] - [ -0.0001689700000000, -0.0000464000000000, 0.0010082800000000 ] - [ 0.0002471400000000, 0.0012466100000000, 0.0004418800000000 ] - [ -0.0015372000000000, 0.0024112100000000, 0.0008617500000000 ] - [ -0.0019127600000000, -0.0004782100000000, 0.0011915600000000 ] - [ 0.0005272000000000, -0.0001110100000000, -0.0000039900000000 ] - [ -0.0036601300000000, 0.0002646500000000, -0.0004045900000000 ] - [ 0.0007925500000000, -0.0005967000000000, 0.0006975600000000 ] - [ 0.0000936400000000, -0.0005766500000000, -0.0004467800000000 ] - [ -0.0010793100000000, -0.0005582600000000, 0.0003513900000000 ] - [ -0.0011354800000000, -0.0003378600000000, 0.0005626500000000 ] - [ 0.0001865900000000, -0.0000711500000000, 0.0003181800000000 ] - [ 0.0002166600000000, 0.0000194400000000, -0.0002422400000000 ] - [ 0.0002813800000000, -0.0003836700000000, 0.0001163100000000 ] - [ -0.0007116400000000, -0.0001663900000000, 0.0000137600000000 ] - [ -0.0008233200000000, 0.0002859300000000, 0.0001759900000000 ] - [ -0.0001699300000000, -0.0001788300000000, -0.0004001600000000 ] - [ 0.0001679300000000, 0.0000739300000000, 0.0000018300000000 ] - [ -0.0318843500000000, -0.0218917900000000, -0.0216265400000000 ] - [ -0.0007067800000000, -0.0006487800000000, 0.0006135000000000 ] - [ 0.0011523500000000, -0.0001079300000000, 0.0001845300000000 ] - [ 0.0008795400000000, -0.0003377600000000, -0.0010670500000000 ] - [ -0.0006310700000000, 0.0002328700000000, -0.0000234600000000 ] - [ -0.0011019700000000, 0.0001427500000000, -0.0003461100000000 ] - [ 0.0005220000000000, -0.0000423800000000, -0.0001405400000000 ] - [ 0.0008988100000000, 0.0014821700000000, 0.0013678800000000 ] - [ 0.0002491000000000, -0.0001373900000000, -0.0001707700000000 ] - [ -0.0001035100000000, -0.0000372500000000, 0.0000316300000000 ] - [ 0.0001642800000000, 0.0002048400000000, 0.0000043800000000 ] - [ -0.0036416900000000, -0.0003754900000000, -0.0001066500000000 ] - [ -0.0029565700000000, -0.0007986300000000, -0.0010743600000000 ] - [ -0.0028433100000000, -0.0014947900000000, -0.0009833800000000 ] - [ 0.0001413400000000, 0.0006119200000000, 0.0006522900000000 ] - [ -0.0020953500000000, 0.0008369100000000, 0.0024748400000000 ] - [ -0.0001994800000000, 0.0001029500000000, 0.0010773300000000 ] - [ -0.0016054100000000, 0.0007228100000000, 0.0002244300000000 ] - [ 0.0005910600000000, -0.0012891900000000, 0.0000010700000000 ] - [ -0.0131426300000000, 0.0001290900000000, -0.0016284500000000 ] - [ 0.0021031400000000, -0.0002467600000000, -0.0001630400000000 ] - [ 0.0002309500000000, 0.0000207600000000, -0.0001654600000000 ] - [ 0.0004998500000000, -0.0003323900000000, 0.0002642900000000 ] - [ 0.0007132300000000, -0.0001529700000000, 0.0002681700000000 ] - [ 0.0000877500000000, -0.0002224600000000, -0.0000481400000000 ] - [ -0.0000978000000000, 0.0002122000000000, 0.0000607100000000 ] - [ -0.0001141400000000, 0.0004459000000000, -0.0003792800000000 ] - [ -0.0001066800000000, -0.0001975500000000, 0.0000472000000000 ] - [ 0.0005864500000000, 0.0001286100000000, 0.0001828500000000 ] - [ -0.0001897000000000, 0.0001349300000000, 0.0000438600000000 ] - [ 0.0000762600000000, 0.0001161000000000, 0.0000179800000000 ] - [ 0.0001997200000000, 0.0001881100000000, -0.0000496100000000 ] - [ 0.0021512100000000, -0.0002909700000000, -0.0000120200000000 ] - [ -0.0004584700000000, -0.0009222300000000, -0.0006344000000000 ] - [ -0.0002058200000000, 0.0008483800000000, -0.0000813400000000 ] - [ 0.0002656500000000, 0.0014906100000000, -0.0000231300000000 ] - [ -0.0004789700000000, 0.0004372200000000, -0.0012504400000000 ] - [ -0.0004630500000000, -0.0004259300000000, 0.0014093900000000 ] - [ 0.0003005900000000, 0.0001397100000000, -0.0001382700000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000602100000000, 0.0001835100000000, 0.0010108600000000 ] - [ -0.0006355400000000, 0.0002990600000000, -0.0000296300000000 ] - [ 0.0002039600000000, 0.0023630200000000, 0.0006621200000000 ] - [ -0.0006178900000000, 0.0004437200000000, 0.0004769300000000 ] - [ 0.0001883000000000, 0.0000798600000000, -0.0003697200000000 ] - [ 0.0006746200000000, 0.0000782000000000, -0.0000357800000000 ] - [ 0.0007849700000000, -0.0002060400000000, 0.0000610000000000 ] - [ 0.0002060300000000, 0.0005951000000000, 0.0004831900000000 ] - [ -0.0623796000000000, -0.0271057700000000, 0.0263599500000000 ] - [ -0.0062079500000000, 0.0018097400000000, -0.0017517300000000 ] - [ 0.0002081700000000, -0.0011726900000000, 0.0004040900000000 ] - [ 0.0005277000000000, -0.0001049100000000, 0.0000334600000000 ] - [ -0.0005325200000000, 0.0004045600000000, -0.0002741800000000 ] - [ 0.0001618800000000, 0.0000337200000000, -0.0001621000000000 ] - [ 0.0044295200000000, -0.0013160900000000, -0.0055372800000000 ] - [ 0.0044292300000000, 0.0053298500000000, 0.0009292300000000 ] - [ 0.0033855200000000, 0.0001307700000000, -0.0002130700000000 ] - [ 0.0004905500000000, 0.0003371300000000, 0.0001713600000000 ] - [ -0.0004453500000000, -0.0006873800000000, -0.0006510600000000 ] - [ -0.0006944600000000, -0.0004777200000000, -0.0002799600000000 ] - [ 0.0000271100000000, 0.0002354500000000, 0.0001890100000000 ] - [ 0.0003512000000000, 0.0006832400000000, -0.0024483200000000 ] - [ -0.0000201500000000, -0.0002558000000000, -0.0001722200000000 ] - [ 0.0002900600000000, -0.0001195800000000, -0.0000685600000000 ] - [ 0.0000766200000000, 0.0000354600000000, -0.0003488300000000 ] - [ 0.0003188600000000, 0.0004387200000000, -0.0003680200000000 ] - [ -0.0002374100000000, 0.0000418800000000, -0.0002776300000000 ] - [ 0.0001767500000000, 0.0004822500000000, -0.0004390000000000 ] - [ 0.0007444500000000, 0.0000413500000000, -0.0000410000000000 ] - [ 0.0019155800000000, -0.0010454600000000, 0.0008410400000000 ] - [ 0.0015868600000000, -0.0007224600000000, 0.0010404500000000 ] - [ 0.0014383500000000, -0.0006791200000000, 0.0007276700000000 ] - [ 0.0005941200000000, -0.0004979700000000, -0.0005149000000000 ] - [ -0.0005576100000000, 0.0000960700000000, -0.0000842900000000 ] - [ 0.0303606900000000, 0.0205277100000000, -0.0216154600000000 ] - [ 0.0009033800000000, -0.0005952600000000, 0.0005916700000000 ] - [ -0.0002971200000000, 0.0000434300000000, 0.0002734400000000 ] - [ -0.0003152500000000, -0.0001048200000000, 0.0001013900000000 ] - [ -0.0005760100000000, 0.0001156000000000, -0.0003489400000000 ] - [ -0.0010176800000000, 0.0000034300000000, -0.0003427800000000 ] - [ -0.0002829800000000, -0.0000015200000000, -0.0002512600000000 ] - [ -0.0004612700000000, -0.0002155000000000, -0.0002036100000000 ] - [ 0.0002817000000000, -0.0011124700000000, 0.0000833200000000 ] - [ -0.0002444800000000, 0.0000360300000000, 0.0001474100000000 ] - [ -0.0008334100000000, 0.0000269800000000, 0.0001535000000000 ] - [ 0.0004318000000000, 0.0003958300000000, 0.0013926100000000 ] - [ 0.0003078200000000, -0.0002479600000000, -0.0011008600000000 ] - [ 0.0021226600000000, -0.0019527200000000, 0.0007392700000000 ] - [ 0.0037424100000000, 0.0001013500000000, 0.0000992400000000 ] - [ -0.0011424000000000, -0.0011411000000000, 0.0011401200000000 ] - [ 0.0002914000000000, 0.0002325300000000, -0.0001840800000000 ] - [ -0.0003888900000000, -0.0000329400000000, 0.0000521000000000 ] - [ 0.0020823900000000, -0.0001225400000000, 0.0022029400000000 ] - [ -0.0006417300000000, 0.0005627900000000, 0.0005374000000000 ] - [ 0.0027307100000000, 0.0009978500000000, -0.0011644300000000 ] - [ 0.0027133000000000, 0.0009770300000000, -0.0009825900000000 ] - [ 0.0132253100000000, 0.0021879900000000, -0.0016138700000000 ] - [ -0.0007974600000000, -0.0001451800000000, -0.0000506300000000 ] - [ 0.0002956500000000, -0.0001549100000000, -0.0000117700000000 ] - [ 0.0003891700000000, -0.0000232400000000, 0.0000035700000000 ] - [ 0.0003217700000000, -0.0013110500000000, -0.0000396400000000 ] - [ -0.0003634200000000, -0.0003812100000000, 0.0002490100000000 ] - [ 0.0002285600000000, 0.0012913600000000, 0.0002956800000000 ] - [ -0.0004768900000000, 0.0001226200000000, -0.0000310500000000 ] - [ -0.0002349200000000, -0.0001759000000000, -0.0000923400000000 ] - [ -0.0002679000000000, 0.0002270300000000, 0.0000576700000000 ] - [ 0.0002756200000000, 0.0001033700000000, 0.0009821700000000 ] - [ 0.0001818400000000, -0.0000907700000000, 0.0000306200000000 ] - [ -0.0002439400000000, -0.0000581500000000, -0.0000182100000000 ] - [ -0.0020546200000000, 0.0000522700000000, -0.0000526900000000 ] - [ -0.0019632600000000, 0.0000251300000000, 0.0000444400000000 ] - [ 0.0007753100000000, 0.0000852300000000, -0.0003964300000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000306300000000, -0.0001429700000000, -0.0009755200000000 ] - [ 0.0005951500000000, -0.0002614200000000, -0.0000095900000000 ] - [ -0.0001525000000000, -0.0024168900000000, -0.0007099600000000 ] - [ 0.0005827300000000, -0.0004777300000000, -0.0004341500000000 ] - [ -0.0001489600000000, -0.0001201400000000, 0.0003298500000000 ] - [ -0.0007170100000000, -0.0001192600000000, 0.0000789900000000 ] - [ -0.0008285500000000, 0.0002471200000000, -0.0001051500000000 ] - [ -0.0001606700000000, -0.0005500800000000, -0.0004411800000000 ] - [ 0.0625101300000000, 0.0266546400000000, -0.0258628700000000 ] - [ 0.0062077600000000, -0.0018264500000000, 0.0018284100000000 ] - [ -0.0002045300000000, 0.0011045200000000, -0.0003757800000000 ] - [ -0.0005413200000000, 0.0000327800000000, -0.0000654700000000 ] - [ 0.0004676400000000, -0.0003753900000000, 0.0002841100000000 ] - [ -0.0000902300000000, -0.0000645900000000, 0.0001759300000000 ] - [ -0.0044570600000000, 0.0013994200000000, 0.0055424300000000 ] - [ -0.0044572400000000, -0.0053941900000000, -0.0009535500000000 ] - [ -0.0033619700000000, -0.0000549100000000, 0.0001941700000000 ] - [ -0.0005643600000000, -0.0003519100000000, -0.0002032600000000 ] - [ 0.0004384500000000, 0.0007121800000000, 0.0007150600000000 ] - [ 0.0006849600000000, 0.0004500300000000, 0.0002130800000000 ] - [ 0.0000440400000000, -0.0002234600000000, -0.0002204700000000 ] - [ -0.0003305300000000, -0.0007163200000000, 0.0025285400000000 ] - [ 0.0000904500000000, 0.0002446800000000, 0.0002027000000000 ] - [ -0.0003614400000000, 0.0001325300000000, 0.0000984900000000 ] - [ -0.0000623900000000, -0.0000029400000000, 0.0002758300000000 ] - [ -0.0002483700000000, -0.0004094800000000, 0.0003559600000000 ] - [ 0.0001678300000000, -0.0000729800000000, 0.0002665200000000 ] - [ -0.0001664000000000, -0.0004119200000000, 0.0004085600000000 ] - [ -0.0007594800000000, 0.0000330400000000, 0.0000737900000000 ] - [ -0.0019448300000000, 0.0010420200000000, -0.0009145400000000 ] - [ -0.0016157600000000, 0.0007354500000000, -0.0009786200000000 ] - [ -0.0014152600000000, 0.0006126200000000, -0.0007200000000000 ] - [ -0.0006052800000000, 0.0004958800000000, 0.0005180800000000 ] - [ 0.0005601000000000, -0.0000927600000000, 0.0000846700000000 ] - [ -0.0300365600000000, -0.0199378600000000, 0.0209879200000000 ] - [ -0.0009102300000000, 0.0005966700000000, -0.0005924100000000 ] - [ 0.0002927200000000, -0.0000418300000000, -0.0002720000000000 ] - [ 0.0003167600000000, 0.0001052400000000, -0.0000990400000000 ] - [ 0.0005798100000000, -0.0001179000000000, 0.0003517600000000 ] - [ 0.0010189900000000, -0.0000108000000000, 0.0003511200000000 ] - [ 0.0003127100000000, 0.0000311200000000, 0.0002842700000000 ] - [ 0.0004291800000000, 0.0002510700000000, 0.0001754000000000 ] - [ -0.0002509400000000, 0.0010824100000000, -0.0001142700000000 ] - [ 0.0002126100000000, -0.0000700200000000, -0.0001177700000000 ] - [ 0.0008656300000000, -0.0000571400000000, -0.0001901900000000 ] - [ -0.0004605200000000, -0.0004266000000000, -0.0013643300000000 ] - [ -0.0003344300000000, 0.0002809100000000, 0.0010747300000000 ] - [ -0.0021007700000000, 0.0020055000000000, -0.0007056200000000 ] - [ -0.0034293600000000, -0.0001561800000000, -0.0000840700000000 ] - [ 0.0011250100000000, 0.0011614000000000, -0.0011145200000000 ] - [ -0.0003104000000000, -0.0002591200000000, 0.0001661400000000 ] - [ 0.0004087900000000, 0.0000083300000000, -0.0000334600000000 ] - [ -0.0021235700000000, 0.0000904500000000, -0.0022427700000000 ] - [ 0.0006686900000000, -0.0005457800000000, -0.0005631400000000 ] - [ -0.0027192200000000, -0.0009711600000000, 0.0011371100000000 ] - [ -0.0027004600000000, -0.0009969300000000, 0.0010024700000000 ] - [ -0.0139411400000000, -0.0022886800000000, 0.0017090500000000 ] - [ 0.0007739800000000, 0.0001719200000000, 0.0000702900000000 ] - [ -0.0002745900000000, 0.0001352200000000, 0.0000386900000000 ] - [ -0.0003690300000000, 0.0000437900000000, -0.0000325000000000 ] - [ -0.0002946100000000, 0.0012920900000000, 0.0000584300000000 ] - [ 0.0003436900000000, 0.0004047500000000, -0.0002241600000000 ] - [ -0.0001990400000000, -0.0012761400000000, -0.0003163300000000 ] - [ 0.0004502200000000, -0.0001467600000000, 0.0000126700000000 ] - [ 0.0002135500000000, 0.0001553900000000, 0.0000659000000000 ] - [ 0.0002944700000000, -0.0002481400000000, -0.0000356400000000 ] - [ -0.0003024200000000, -0.0000824000000000, -0.0009633400000000 ] - [ -0.0002008200000000, 0.0001166000000000, -0.0000127000000000 ] - [ 0.0002635300000000, 0.0000835900000000, -0.0000014700000000 ] - [ 0.0020765300000000, -0.0000346800000000, 0.0000253600000000 ] - [ 0.0019862000000000, -0.0000445700000000, -0.0000152900000000 ] - [ -0.0007993600000000, -0.0001148900000000, 0.0003786300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006788100000000, -0.0008042200000000, -0.0006055800000000 ] - [ -0.0002185000000000, 0.0036767700000000, -0.0001411300000000 ] - [ 0.0010290600000000, 0.0015118800000000, 0.0005731600000000 ] - [ 0.0004746100000000, 0.0018851700000000, 0.0012658800000000 ] - [ 0.0005355900000000, -0.0003091200000000, -0.0005857400000000 ] - [ 0.0001396500000000, -0.0001486300000000, 0.0003430800000000 ] - [ 0.0002589900000000, -0.0001898300000000, -0.0001139800000000 ] - [ 0.0004234800000000, 0.0011005100000000, 0.0006016500000000 ] - [ -0.0271419500000000, -0.0614727900000000, 0.0267211700000000 ] - [ -0.0017955900000000, 0.0041169400000000, -0.0048285100000000 ] - [ -0.0026002300000000, 0.0017613700000000, -0.0002616300000000 ] - [ 0.0003740900000000, -0.0000581200000000, 0.0001528700000000 ] - [ 0.0008537400000000, 0.0002265800000000, -0.0026024200000000 ] - [ -0.0002338600000000, 0.0005168200000000, -0.0003726300000000 ] - [ 0.0009201900000000, -0.0068904500000000, -0.0008977400000000 ] - [ 0.0055309100000000, 0.0052132800000000, 0.0008985900000000 ] - [ 0.0002187100000000, -0.0005591900000000, 0.0004785500000000 ] - [ -0.0001705400000000, 0.0000042900000000, -0.0002648700000000 ] - [ -0.0004104300000000, 0.0003508300000000, 0.0012779700000000 ] - [ -0.0005240700000000, -0.0007031000000000, -0.0004805100000000 ] - [ 0.0004535200000000, 0.0008768000000000, -0.0002439800000000 ] - [ 0.0004119700000000, -0.0004543800000000, -0.0003422100000000 ] - [ -0.0001593300000000, 0.0000035500000000, -0.0003290300000000 ] - [ 0.0001568200000000, 0.0000237000000000, -0.0001103000000000 ] - [ -0.0001895700000000, 0.0000844200000000, -0.0002358300000000 ] - [ 0.0005302500000000, 0.0001882200000000, -0.0003559700000000 ] - [ -0.0001006500000000, 0.0007347300000000, -0.0000303800000000 ] - [ 0.0003562100000000, 0.0008292800000000, -0.0003781400000000 ] - [ -0.0000279400000000, 0.0009685400000000, 0.0002877300000000 ] - [ -0.0010576400000000, -0.0003604800000000, -0.0002591400000000 ] - [ 0.0007163300000000, -0.0009627900000000, 0.0002652700000000 ] - [ 0.0007408100000000, -0.0003559400000000, 0.0000175300000000 ] - [ 0.0000023900000000, -0.0010905700000000, 0.0002340500000000 ] - [ -0.0000709600000000, 0.0005858500000000, 0.0001874900000000 ] - [ 0.0211724400000000, 0.0308519300000000, -0.0217804300000000 ] - [ -0.0006590800000000, 0.0008809300000000, 0.0006066000000000 ] - [ 0.0004511000000000, -0.0005619400000000, -0.0001362000000000 ] - [ -0.0003109100000000, -0.0002712200000000, 0.0002409200000000 ] - [ 0.0003909400000000, -0.0008956900000000, 0.0008009000000000 ] - [ -0.0001561300000000, 0.0010967300000000, 0.0002522600000000 ] - [ -0.0000067500000000, -0.0000102400000000, 0.0000814000000000 ] - [ -0.0005221800000000, 0.0001958800000000, -0.0001901500000000 ] - [ 0.0004060100000000, -0.0020347700000000, -0.0000101200000000 ] - [ -0.0000286800000000, -0.0006470100000000, 0.0002047000000000 ] - [ -0.0002172400000000, 0.0001854400000000, -0.0000402900000000 ] - [ 0.0001537400000000, 0.0001189200000000, 0.0008625300000000 ] - [ -0.0002068500000000, -0.0003441300000000, -0.0012793400000000 ] - [ 0.0002178400000000, 0.0112095200000000, -0.0019250800000000 ] - [ 0.0013755400000000, 0.0028067800000000, -0.0009007300000000 ] - [ -0.0014711400000000, -0.0005879800000000, 0.0015135600000000 ] - [ 0.0005564200000000, -0.0001576900000000, 0.0006115200000000 ] - [ -0.0002712100000000, 0.0000080100000000, 0.0002105300000000 ] - [ -0.0001704300000000, 0.0021971200000000, 0.0024537800000000 ] - [ 0.0001480100000000, 0.0002998500000000, -0.0002064200000000 ] - [ 0.0008490100000000, 0.0031335900000000, -0.0009100600000000 ] - [ -0.0002022900000000, 0.0045561900000000, -0.0002308500000000 ] - [ 0.0002312100000000, 0.0019713500000000, -0.0000881900000000 ] - [ -0.0001082100000000, 0.0002024900000000, -0.0002021900000000 ] - [ 0.0000478000000000, -0.0009145700000000, 0.0002628100000000 ] - [ 0.0002991500000000, -0.0002630300000000, -0.0000595100000000 ] - [ 0.0000914200000000, -0.0022159600000000, -0.0002451300000000 ] - [ -0.0003427400000000, -0.0003329000000000, 0.0002434800000000 ] - [ 0.0012289500000000, 0.0000243900000000, -0.0013489600000000 ] - [ -0.0003674100000000, -0.0002494700000000, -0.0000729800000000 ] - [ -0.0000898600000000, -0.0003176800000000, -0.0002345500000000 ] - [ -0.0001360400000000, 0.0003142200000000, 0.0002535800000000 ] - [ 0.0001599000000000, 0.0003810100000000, 0.0013680600000000 ] - [ -0.0000873600000000, -0.0001687400000000, 0.0002361500000000 ] - [ 0.0001113600000000, -0.0002229700000000, 0.0001397000000000 ] - [ -0.0015341000000000, -0.0001874000000000, -0.0004600300000000 ] - [ -0.0007511200000000, 0.0000607000000000, 0.0001229300000000 ] - [ 0.0010016100000000, -0.0004116000000000, -0.0000094300000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007128600000000, 0.0008461600000000, 0.0006387300000000 ] - [ 0.0001757500000000, -0.0036447600000000, 0.0000923300000000 ] - [ -0.0009945700000000, -0.0015479800000000, -0.0006154100000000 ] - [ -0.0005226700000000, -0.0019275500000000, -0.0012335200000000 ] - [ -0.0004934200000000, 0.0002664600000000, 0.0005450800000000 ] - [ -0.0001821800000000, 0.0001053500000000, -0.0003015100000000 ] - [ -0.0003012900000000, 0.0002312000000000, 0.0000734700000000 ] - [ -0.0003873400000000, -0.0010648200000000, -0.0005646500000000 ] - [ 0.0266152600000000, 0.0614459600000000, -0.0262118000000000 ] - [ 0.0018390500000000, -0.0041272700000000, 0.0048954400000000 ] - [ 0.0026266700000000, -0.0018349900000000, 0.0002952300000000 ] - [ -0.0003859600000000, -0.0000114900000000, -0.0001848400000000 ] - [ -0.0009275600000000, -0.0001883000000000, 0.0026239600000000 ] - [ 0.0003050300000000, -0.0005498600000000, 0.0003863100000000 ] - [ -0.0009613700000000, 0.0069302900000000, 0.0009209400000000 ] - [ -0.0055473000000000, -0.0052745000000000, -0.0009198800000000 ] - [ -0.0001903300000000, 0.0006284800000000, -0.0004887400000000 ] - [ 0.0001035400000000, -0.0000129900000000, 0.0002380100000000 ] - [ 0.0004029300000000, -0.0003320500000000, -0.0012129500000000 ] - [ 0.0005160600000000, 0.0006784100000000, 0.0004165900000000 ] - [ -0.0003845900000000, -0.0008686900000000, 0.0002167300000000 ] - [ -0.0004023500000000, 0.0004318700000000, 0.0004054100000000 ] - [ 0.0002312000000000, -0.0000151800000000, 0.0003593400000000 ] - [ -0.0002276700000000, -0.0000123000000000, 0.0001406700000000 ] - [ 0.0002008200000000, -0.0000559600000000, 0.0001662300000000 ] - [ -0.0004627600000000, -0.0001575300000000, 0.0003449300000000 ] - [ 0.0000297100000000, -0.0007675500000000, 0.0000159300000000 ] - [ -0.0003429900000000, -0.0007599100000000, 0.0003460300000000 ] - [ 0.0000188800000000, -0.0009020500000000, -0.0002583900000000 ] - [ 0.0010313400000000, 0.0003400200000000, 0.0001885500000000 ] - [ -0.0007400300000000, 0.0009733800000000, -0.0001932500000000 ] - [ -0.0007082100000000, 0.0002816300000000, -0.0000040600000000 ] - [ 0.0000100200000000, 0.0010927500000000, -0.0002285200000000 ] - [ 0.0000741100000000, -0.0005828100000000, -0.0001841300000000 ] - [ -0.0205678400000000, -0.0304634200000000, 0.0210934200000000 ] - [ 0.0006597400000000, -0.0008880400000000, -0.0006069700000000 ] - [ -0.0004526500000000, 0.0005652500000000, 0.0001364200000000 ] - [ 0.0003107300000000, 0.0002705600000000, -0.0002420500000000 ] - [ -0.0003919300000000, 0.0008976500000000, -0.0008053800000000 ] - [ 0.0001519100000000, -0.0010939500000000, -0.0002536800000000 ] - [ 0.0000361400000000, 0.0000408800000000, -0.0000522400000000 ] - [ 0.0004934400000000, -0.0001675900000000, 0.0001616500000000 ] - [ -0.0003762000000000, 0.0020065600000000, -0.0000169200000000 ] - [ 0.0000004800000000, 0.0006177800000000, -0.0001760400000000 ] - [ 0.0002469200000000, -0.0002174600000000, 0.0000118500000000 ] - [ -0.0001833500000000, -0.0001517000000000, -0.0008345400000000 ] - [ 0.0001782400000000, 0.0003791600000000, 0.0012533400000000 ] - [ -0.0001786700000000, -0.0118310700000000, 0.0020564100000000 ] - [ -0.0013939300000000, -0.0028404500000000, 0.0008715000000000 ] - [ 0.0014493400000000, 0.0006076600000000, -0.0014843000000000 ] - [ -0.0005789700000000, 0.0001305400000000, -0.0006348000000000 ] - [ 0.0002906400000000, -0.0000351800000000, -0.0001930400000000 ] - [ 0.0001341800000000, -0.0022383400000000, -0.0024872100000000 ] - [ -0.0001234500000000, -0.0002792300000000, 0.0001879400000000 ] - [ -0.0008256400000000, -0.0031129600000000, 0.0008859900000000 ] - [ 0.0001480700000000, -0.0042256300000000, 0.0002779300000000 ] - [ -0.0002411700000000, -0.0019341800000000, 0.0001122000000000 ] - [ 0.0000818900000000, -0.0001841800000000, 0.0002226500000000 ] - [ -0.0000253200000000, 0.0008999800000000, -0.0002449900000000 ] - [ -0.0002789700000000, 0.0002840900000000, 0.0000354200000000 ] - [ -0.0000691200000000, 0.0021983500000000, 0.0002665400000000 ] - [ 0.0003224200000000, 0.0003540700000000, -0.0002200600000000 ] - [ -0.0012133200000000, -0.0000006500000000, 0.0013414100000000 ] - [ 0.0003425400000000, 0.0002300400000000, 0.0000543200000000 ] - [ 0.0000690000000000, 0.0002977200000000, 0.0002116700000000 ] - [ 0.0001628600000000, -0.0003343900000000, -0.0002347700000000 ] - [ -0.0001857300000000, -0.0003608300000000, -0.0013483200000000 ] - [ 0.0000677400000000, 0.0001961300000000, -0.0002183400000000 ] - [ -0.0000926000000000, 0.0002511100000000, -0.0001597300000000 ] - [ 0.0015534200000000, 0.0002112900000000, 0.0004345100000000 ] - [ 0.0007709900000000, -0.0000849600000000, -0.0000975700000000 ] - [ -0.0010224300000000, 0.0003919900000000, -0.0000124700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026043500000000, 0.0008276300000000, 0.0017526200000000 ] - [ 0.0000588500000000, -0.0004217000000000, -0.0005132300000000 ] - [ -0.0000589800000000, -0.0008458300000000, -0.0007794400000000 ] - [ 0.0004837100000000, 0.0012033500000000, -0.0002608300000000 ] - [ -0.0006357000000000, 0.0004004700000000, 0.0011484000000000 ] - [ 0.0000312500000000, 0.0003539100000000, -0.0002016500000000 ] - [ -0.0001579700000000, 0.0000034500000000, 0.0007797400000000 ] - [ 0.0001674700000000, -0.0003625200000000, -0.0001080400000000 ] - [ 0.0257803400000000, 0.0261030900000000, -0.0636881100000000 ] - [ 0.0018082700000000, -0.0048648500000000, 0.0047757100000000 ] - [ 0.0008927000000000, -0.0007675400000000, -0.0004885300000000 ] - [ -0.0002730800000000, 0.0002375700000000, 0.0001139300000000 ] - [ -0.0007716600000000, -0.0011285700000000, 0.0018007800000000 ] - [ -0.0002375700000000, 0.0000562400000000, -0.0000198600000000 ] - [ -0.0053701600000000, 0.0018807000000000, 0.0052451400000000 ] - [ -0.0013757100000000, -0.0018820400000000, -0.0068983900000000 ] - [ -0.0000797800000000, 0.0003787800000000, -0.0005985200000000 ] - [ -0.0001243700000000, -0.0002013700000000, -0.0000710900000000 ] - [ -0.0003824300000000, 0.0025097700000000, 0.0014706000000000 ] - [ 0.0004418300000000, 0.0002297900000000, 0.0036150200000000 ] - [ 0.0000078500000000, -0.0004117300000000, -0.0000242900000000 ] - [ -0.0012444100000000, -0.0006983200000000, 0.0014663600000000 ] - [ 0.0001229700000000, 0.0001316200000000, 0.0005413700000000 ] - [ -0.0003636500000000, 0.0001959600000000, 0.0003391300000000 ] - [ -0.0001967500000000, -0.0002985000000000, 0.0008386300000000 ] - [ -0.0004547900000000, -0.0004352000000000, 0.0007927300000000 ] - [ 0.0003038300000000, -0.0000089000000000, 0.0009310900000000 ] - [ -0.0004920700000000, -0.0004543200000000, 0.0002714400000000 ] - [ 0.0000599400000000, -0.0003035600000000, -0.0001892400000000 ] - [ -0.0008883700000000, 0.0002173100000000, -0.0010319400000000 ] - [ 0.0009969200000000, -0.0002227400000000, -0.0003361100000000 ] - [ -0.0006300100000000, -0.0000997000000000, -0.0003114300000000 ] - [ -0.0004739000000000, 0.0000262100000000, 0.0008978000000000 ] - [ -0.0002851900000000, -0.0011181100000000, -0.0008064700000000 ] - [ -0.0214674600000000, -0.0210759300000000, 0.0330971200000000 ] - [ -0.0002483500000000, -0.0003852500000000, -0.0012607000000000 ] - [ 0.0008380900000000, -0.0003047400000000, -0.0008683300000000 ] - [ 0.0002148900000000, 0.0000746400000000, -0.0003514200000000 ] - [ -0.0000631800000000, 0.0003426700000000, -0.0002475100000000 ] - [ 0.0002107400000000, 0.0003359900000000, 0.0010540200000000 ] - [ 0.0001251700000000, -0.0000732100000000, -0.0002302000000000 ] - [ -0.0000224300000000, -0.0001701100000000, -0.0003850200000000 ] - [ -0.0001754000000000, 0.0015017200000000, -0.0003621800000000 ] - [ -0.0000344700000000, -0.0000041000000000, 0.0001890100000000 ] - [ 0.0002151100000000, -0.0000360600000000, 0.0002051200000000 ] - [ -0.0002531600000000, -0.0003155100000000, -0.0022349900000000 ] - [ -0.0008268600000000, -0.0006878600000000, 0.0005156600000000 ] - [ 0.0004645100000000, 0.0008817600000000, 0.0019140500000000 ] - [ -0.0013879900000000, -0.0009762400000000, 0.0028759500000000 ] - [ 0.0015356200000000, 0.0014207900000000, -0.0009115900000000 ] - [ -0.0006088200000000, 0.0004960800000000, -0.0005587600000000 ] - [ 0.0003765700000000, 0.0001509900000000, -0.0002440600000000 ] - [ -0.0000712500000000, 0.0002111200000000, 0.0108094900000000 ] - [ 0.0005376700000000, -0.0004820200000000, -0.0000603400000000 ] - [ 0.0000064900000000, -0.0001947600000000, 0.0048755400000000 ] - [ -0.0008435900000000, -0.0012169700000000, 0.0030448500000000 ] - [ 0.0007585400000000, 0.0003232700000000, 0.0019268300000000 ] - [ -0.0000560700000000, -0.0001047100000000, 0.0002343200000000 ] - [ -0.0001504000000000, 0.0001785200000000, 0.0002443900000000 ] - [ -0.0003823700000000, 0.0000240300000000, -0.0007381600000000 ] - [ 0.0000923500000000, 0.0010156500000000, 0.0001524200000000 ] - [ 0.0003511700000000, 0.0003265800000000, 0.0002815600000000 ] - [ 0.0002346100000000, -0.0013844900000000, 0.0001523400000000 ] - [ 0.0000908000000000, 0.0000112500000000, 0.0001226500000000 ] - [ 0.0001715500000000, 0.0001253000000000, -0.0002565400000000 ] - [ 0.0000989300000000, -0.0002690400000000, -0.0006725300000000 ] - [ -0.0003297000000000, -0.0001731200000000, -0.0021161100000000 ] - [ -0.0001443100000000, -0.0000098900000000, -0.0002464900000000 ] - [ 0.0001430300000000, 0.0000321800000000, -0.0001254700000000 ] - [ 0.0008529800000000, 0.0001615400000000, 0.0002340900000000 ] - [ 0.0015957900000000, -0.0002289800000000, -0.0003505800000000 ] - [ -0.0011125200000000, 0.0002485900000000, -0.0001617200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025506900000000, -0.0007877800000000, -0.0017093900000000 ] - [ -0.0001008400000000, 0.0004616500000000, 0.0004732200000000 ] - [ 0.0001023700000000, 0.0008071800000000, 0.0007365800000000 ] - [ -0.0005214800000000, -0.0012377000000000, 0.0003130500000000 ] - [ 0.0006747500000000, -0.0004380200000000, -0.0011835100000000 ] - [ -0.0000672500000000, -0.0003904200000000, 0.0002386300000000 ] - [ 0.0001214200000000, 0.0000350000000000, -0.0008156700000000 ] - [ -0.0001222000000000, 0.0004065700000000, 0.0001523200000000 ] - [ -0.0264398000000000, -0.0268292600000000, 0.0638308700000000 ] - [ -0.0017698100000000, 0.0048583400000000, -0.0047118300000000 ] - [ -0.0008895600000000, 0.0007065500000000, 0.0005124600000000 ] - [ 0.0002648100000000, -0.0003043300000000, -0.0001400300000000 ] - [ 0.0007018200000000, 0.0011504900000000, -0.0017953900000000 ] - [ 0.0003034800000000, -0.0000833500000000, 0.0000279900000000 ] - [ 0.0053518400000000, -0.0018075100000000, -0.0052415400000000 ] - [ 0.0013379100000000, 0.0018064100000000, 0.0069213000000000 ] - [ 0.0001079600000000, -0.0003102200000000, 0.0005885900000000 ] - [ 0.0000536600000000, 0.0001881700000000, 0.0000379500000000 ] - [ 0.0003660700000000, -0.0024659800000000, -0.0013991500000000 ] - [ -0.0004549100000000, -0.0002645900000000, -0.0036736700000000 ] - [ 0.0000638400000000, 0.0004258800000000, -0.0000084300000000 ] - [ 0.0012473200000000, 0.0006660200000000, -0.0014028900000000 ] - [ -0.0000539200000000, -0.0001429800000000, -0.0005111800000000 ] - [ 0.0002956600000000, -0.0001861600000000, -0.0003093600000000 ] - [ 0.0002056900000000, 0.0003276500000000, -0.0009046600000000 ] - [ 0.0005199500000000, 0.0004614500000000, -0.0007981800000000 ] - [ -0.0003718700000000, -0.0000185700000000, -0.0009390400000000 ] - [ 0.0005008300000000, 0.0005209200000000, -0.0002972300000000 ] - [ -0.0000703400000000, 0.0003721100000000, 0.0002172600000000 ] - [ 0.0008651500000000, -0.0002309300000000, 0.0009619200000000 ] - [ -0.0010237200000000, 0.0002360400000000, 0.0004157300000000 ] - [ 0.0006634800000000, 0.0000279000000000, 0.0003266600000000 ] - [ 0.0004690900000000, -0.0000278700000000, -0.0008969800000000 ] - [ 0.0002818800000000, 0.0011124900000000, 0.0008022500000000 ] - [ 0.0221725000000000, 0.0218147200000000, -0.0336134300000000 ] - [ 0.0002574100000000, 0.0003962900000000, 0.0012598200000000 ] - [ -0.0008352400000000, 0.0003028800000000, 0.0008645100000000 ] - [ -0.0002153400000000, -0.0000742500000000, 0.0003494800000000 ] - [ 0.0000632800000000, -0.0003442100000000, 0.0002512700000000 ] - [ -0.0002135900000000, -0.0003350200000000, -0.0010579200000000 ] - [ -0.0000941800000000, 0.0001040400000000, 0.0002594200000000 ] - [ -0.0000105500000000, 0.0002031500000000, 0.0003497900000000 ] - [ 0.0002091700000000, -0.0015344000000000, 0.0003281400000000 ] - [ 0.0000017400000000, -0.0000279100000000, -0.0001547100000000 ] - [ -0.0001849800000000, 0.0000044700000000, -0.0002328300000000 ] - [ 0.0002194900000000, 0.0002840900000000, 0.0022641000000000 ] - [ 0.0007888300000000, 0.0007118800000000, -0.0005471500000000 ] - [ -0.0004350200000000, -0.0008408100000000, -0.0018849100000000 ] - [ 0.0013750000000000, 0.0009579700000000, -0.0028893300000000 ] - [ -0.0015556700000000, -0.0014010000000000, 0.0009355000000000 ] - [ 0.0005831000000000, -0.0005133000000000, 0.0005419100000000 ] - [ -0.0003531200000000, -0.0001716800000000, 0.0002589800000000 ] - [ 0.0000561000000000, -0.0001910900000000, -0.0102036000000000 ] - [ -0.0005113800000000, 0.0004980900000000, 0.0000400200000000 ] - [ -0.0000620200000000, 0.0001614600000000, -0.0052666500000000 ] - [ 0.0008682100000000, 0.0011909200000000, -0.0030141100000000 ] - [ -0.0007523700000000, -0.0002999800000000, -0.0019083500000000 ] - [ 0.0000324800000000, 0.0001277600000000, -0.0002177100000000 ] - [ 0.0001730800000000, -0.0001980100000000, -0.0002173300000000 ] - [ 0.0004039900000000, -0.0000021300000000, 0.0007102500000000 ] - [ -0.0000680200000000, -0.0010397200000000, -0.0001344400000000 ] - [ -0.0003720300000000, -0.0003070700000000, -0.0002542300000000 ] - [ -0.0002078300000000, 0.0014028700000000, -0.0001743800000000 ] - [ -0.0001152200000000, -0.0000343000000000, -0.0001397900000000 ] - [ -0.0001943200000000, -0.0001433500000000, 0.0002299200000000 ] - [ -0.0000719800000000, 0.0002496400000000, 0.0006919600000000 ] - [ 0.0003059800000000, 0.0001875600000000, 0.0021339400000000 ] - [ 0.0001207000000000, 0.0000310100000000, 0.0002619500000000 ] - [ -0.0001194100000000, -0.0000105500000000, 0.0001099300000000 ] - [ -0.0008372200000000, -0.0001381400000000, -0.0002530900000000 ] - [ -0.0015790800000000, 0.0002047700000000, 0.0003705200000000 ] - [ 0.0010949300000000, -0.0002718100000000, 0.0001339400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001480900000000, 0.0000191800000000, -0.0000535900000000 ] - [ 0.0323023300000000, -0.0225544000000000, 0.0222935200000000 ] - [ 0.0318750000000000, -0.0218992900000000, -0.0216343200000000 ] - [ 0.0323023300000000, 0.0225544000000000, -0.0222935200000000 ] - [ -0.0001480900000000, -0.0000191800000000, 0.0000535900000000 ] - [ -0.0001894900000000, -0.0000220300000000, 0.0000948600000000 ] - [ -0.0001894900000000, 0.0000220300000000, -0.0000948600000000 ] - [ 0.0318750000000000, 0.0218992900000000, 0.0216343200000000 ] - [ 0.0006127000000000, -0.0000025500000000, -0.0005049500000000 ] - [ 0.0006127000000000, 0.0000025500000000, 0.0005049500000000 ] - [ -0.0010861300000000, -0.0000072800000000, -0.0004813000000000 ] - [ -0.0010973400000000, -0.0000610500000000, -0.0005132300000000 ] - [ 0.0008610800000000, -0.0005019200000000, 0.0002324300000000 ] - [ 0.0009325800000000, -0.0005309200000000, -0.0002299700000000 ] - [ -0.0005749300000000, -0.0002469400000000, 0.0000799600000000 ] - [ -0.0005749300000000, 0.0002469400000000, -0.0000799600000000 ] - [ -0.0005428900000000, 0.0003216100000000, 0.0000638500000000 ] - [ -0.0008402000000000, -0.0001933500000000, 0.0000689700000000 ] - [ 0.0005748100000000, -0.0000780700000000, -0.0010761400000000 ] - [ 0.0005748100000000, 0.0000780700000000, 0.0010761400000000 ] - [ -0.0007692900000000, -0.0001780800000000, -0.0000999200000000 ] - [ 0.0005919500000000, -0.0001109900000000, 0.0011543700000000 ] - [ -0.0007692900000000, 0.0001780800000000, 0.0000999200000000 ] - [ -0.0008402000000000, 0.0001933500000000, -0.0000689700000000 ] - [ 0.0005919500000000, 0.0001109900000000, -0.0011543700000000 ] - [ 0.0009325800000000, 0.0005309200000000, 0.0002299700000000 ] - [ 0.0008610800000000, 0.0005019200000000, -0.0002324300000000 ] - [ -0.0010861300000000, 0.0000072800000000, 0.0004813000000000 ] - [ -0.0010973400000000, 0.0000610500000000, 0.0005132300000000 ] - [ 0.0005846500000000, -0.0000064200000000, 0.0004357800000000 ] - [ 0.0005846500000000, 0.0000064200000000, -0.0004357800000000 ] - [ -0.0005428900000000, -0.0003216100000000, -0.0000638500000000 ] - [ -0.1559733100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001400000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002742100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007908700000000, 0.0000073400000000, -0.0000007000000000 ] - [ -0.0007908700000000, -0.0000073400000000, 0.0000007000000000 ] - [ 0.0006187800000000, -0.0000149900000000, -0.0000003200000000 ] - [ 0.0006187800000000, 0.0000149900000000, 0.0000003200000000 ] - [ 0.0002660800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001471900000000, 0.0000595100000000, 0.0002185000000000 ] - [ 0.0034648500000000, -0.0100007700000000, 0.0102198400000000 ] - [ 0.0035096900000000, -0.0101036300000000, -0.0103210200000000 ] - [ 0.0034648500000000, 0.0100007700000000, -0.0102198400000000 ] - [ 0.0001471900000000, -0.0000595100000000, -0.0002185000000000 ] - [ 0.0001170100000000, 0.0000302300000000, -0.0001897200000000 ] - [ 0.0001170100000000, -0.0000302300000000, 0.0001897200000000 ] - [ 0.0035096900000000, 0.0101036300000000, 0.0103210200000000 ] - [ 0.0003648600000000, -0.0000467800000000, 0.0001389200000000 ] - [ 0.0003648600000000, 0.0000467800000000, -0.0001389200000000 ] - [ 0.0000547300000000, 0.0000380800000000, 0.0000145800000000 ] - [ 0.0000715900000000, -0.0000663200000000, 0.0000362600000000 ] - [ -0.0001140400000000, -0.0001834100000000, 0.0000870700000000 ] - [ -0.0000851400000000, -0.0001631300000000, -0.0001038200000000 ] - [ -0.0003679400000000, 0.0025517100000000, -0.0003942800000000 ] - [ -0.0003679400000000, -0.0025517100000000, 0.0003942800000000 ] - [ -0.0003978300000000, -0.0025106900000000, -0.0003685700000000 ] - [ 0.0032327600000000, -0.0002019500000000, 0.0001847000000000 ] - [ 0.0005583500000000, 0.0003857400000000, 0.0027473300000000 ] - [ 0.0005583500000000, -0.0003857400000000, -0.0027473300000000 ] - [ 0.0032557900000000, -0.0002179000000000, -0.0001637600000000 ] - [ 0.0005327100000000, 0.0004137900000000, -0.0027108100000000 ] - [ 0.0032557900000000, 0.0002179000000000, 0.0001637600000000 ] - [ 0.0032327600000000, 0.0002019500000000, -0.0001847000000000 ] - [ 0.0005327100000000, -0.0004137900000000, 0.0027108100000000 ] - [ -0.0000851400000000, 0.0001631300000000, 0.0001038200000000 ] - [ -0.0001140400000000, 0.0001834100000000, -0.0000870700000000 ] - [ 0.0000547300000000, -0.0000380800000000, -0.0000145800000000 ] - [ 0.0000715900000000, 0.0000663200000000, -0.0000362600000000 ] - [ 0.0003872700000000, -0.0000299700000000, -0.0001688000000000 ] - [ 0.0003872700000000, 0.0000299700000000, 0.0001688000000000 ] - [ -0.0003978300000000, 0.0025106900000000, 0.0003685700000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006666500000000, 0.0011206900000000, -0.0001718200000000 ] - [ 0.0005925100000000, -0.0011308600000000, 0.0001231000000000 ] - [ -0.0001197000000000, -0.0008980500000000, -0.0002560400000000 ] - [ -0.0006384500000000, -0.0011725100000000, 0.0001617300000000 ] - [ -0.0006257300000000, 0.0010791100000000, -0.0002023600000000 ] - [ 0.0000229600000000, 0.0006105400000000, -0.0010417700000000 ] - [ -0.0000647600000000, 0.0006537100000000, -0.0010861700000000 ] - [ 0.0001619200000000, -0.0008575800000000, -0.0002120000000000 ] - [ 0.0199390300000000, 0.0304332200000000, -0.0211217700000000 ] - [ -0.0205265100000000, 0.0308791000000000, -0.0217691900000000 ] - [ 0.0006141900000000, -0.0012948200000000, 0.0006079300000000 ] - [ 0.0001307600000000, -0.0009022200000000, -0.0002871500000000 ] - [ -0.0000984500000000, -0.0005622000000000, 0.0003987300000000 ] - [ 0.0002512400000000, -0.0003323900000000, 0.0003174400000000 ] - [ -0.0209530900000000, 0.0330922600000000, 0.0210586900000000 ] - [ 0.0216520900000000, 0.0336176200000000, 0.0218146600000000 ] - [ 0.0003584500000000, 0.0010908600000000, 0.0002468700000000 ] - [ -0.0001098500000000, -0.0002768600000000, -0.0001198000000000 ] - [ 0.0006529200000000, 0.0009213300000000, 0.0002858000000000 ] - [ -0.0006647100000000, 0.0008926500000000, 0.0002234300000000 ] - [ -0.0003078900000000, -0.0008902500000000, -0.0001311700000000 ] - [ -0.0004458900000000, -0.0003112100000000, 0.0008740500000000 ] - [ 0.0003788000000000, -0.0009043800000000, -0.0001001400000000 ] - [ 0.0000390100000000, -0.0002650800000000, -0.0000895900000000 ] - [ 0.0004582800000000, -0.0002788600000000, 0.0007980000000000 ] - [ -0.0001797900000000, -0.0003017900000000, 0.0003052700000000 ] - [ 0.0000268500000000, -0.0005939000000000, 0.0003835500000000 ] - [ -0.0005984500000000, -0.0012269400000000, 0.0005760400000000 ] - [ -0.0001419400000000, -0.0008310300000000, -0.0002583900000000 ] - [ -0.0000032400000000, 0.0010882000000000, -0.0003718100000000 ] - [ -0.0000182400000000, 0.0011007500000000, -0.0003001500000000 ] - [ -0.0003363100000000, 0.0010185000000000, 0.0002598200000000 ] - [ -0.0000005100000000, 0.0006188400000000, -0.0000005300000000 ] - [ 0.0000054400000000, -0.0007912300000000, -0.0000147100000000 ] - [ -0.0000971100000000, -0.1556159200000000, -0.0000010300000000 ] - [ -0.0002574000000000, 0.0004507200000000, -0.0002683900000000 ] - [ 0.0002528100000000, 0.0004519500000000, -0.0002663000000000 ] - [ 0.0002687900000000, 0.0007215000000000, -0.0001966800000000 ] - [ -0.0002673200000000, 0.0007210400000000, -0.0001958200000000 ] - [ -0.0000004600000000, -0.0003845400000000, 0.0001455800000000 ] - [ -0.0002785900000000, -0.0000492000000000, 0.0000791500000000 ] - [ 0.0000105800000000, 0.0000705700000000, -0.0001056600000000 ] - [ 0.0000417700000000, 0.0033855500000000, -0.0003917800000000 ] - [ -0.0000408700000000, 0.0000413200000000, -0.0000750400000000 ] - [ 0.0003063900000000, -0.0000768000000000, 0.0000540000000000 ] - [ 0.0000484100000000, 0.0005269000000000, 0.0029714100000000 ] - [ -0.0000714400000000, 0.0005620100000000, 0.0029550900000000 ] - [ -0.0000078300000000, 0.0034223300000000, -0.0003654100000000 ] - [ -0.0102728800000000, 0.0020961500000000, -0.0100227100000000 ] - [ 0.0103052900000000, 0.0021086800000000, -0.0100468200000000 ] - [ -0.0002781400000000, 0.0001537100000000, -0.0000634600000000 ] - [ 0.0001002100000000, 0.0000878400000000, 0.0000706300000000 ] - [ -0.0002586300000000, -0.0003701100000000, -0.0025605000000000 ] - [ 0.0001083400000000, -0.0004710400000000, -0.0003012700000000 ] - [ 0.0109484200000000, 0.0037356000000000, 0.0097891100000000 ] - [ -0.0110002500000000, 0.0037158600000000, 0.0098712100000000 ] - [ 0.0028314200000000, 0.0008147400000000, -0.0001247800000000 ] - [ -0.0001429600000000, 0.0001597500000000, -0.0001530200000000 ] - [ -0.0000533900000000, 0.0004474200000000, 0.0000588600000000 ] - [ 0.0000722100000000, 0.0004686300000000, 0.0000286000000000 ] - [ 0.0000974500000000, 0.0031703000000000, -0.0000653700000000 ] - [ 0.0001368800000000, 0.0003450300000000, 0.0000779200000000 ] - [ -0.0000692100000000, 0.0031957600000000, -0.0000868900000000 ] - [ 0.0001133900000000, 0.0001424100000000, -0.0001743900000000 ] - [ -0.0001556100000000, 0.0003219400000000, 0.0000485600000000 ] - [ -0.0000792700000000, -0.0004918700000000, -0.0002847700000000 ] - [ 0.0002228600000000, -0.0003393300000000, -0.0025512500000000 ] - [ 0.0002599400000000, 0.0001829100000000, -0.0000429500000000 ] - [ -0.0000827200000000, 0.0001156600000000, 0.0000496400000000 ] - [ 0.0030353700000000, 0.0005106400000000, 0.0006895300000000 ] - [ -0.0030029300000000, 0.0004843200000000, 0.0007070700000000 ] - [ -0.0028611300000000, 0.0007923500000000, -0.0001526300000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007205900000000, 0.0003629300000000, 0.0001300600000000 ] - [ 0.0006782600000000, -0.0000966800000000, 0.0003216500000000 ] - [ -0.0004996400000000, -0.0003583600000000, -0.0000471100000000 ] - [ 0.0006782600000000, 0.0000966800000000, -0.0003216500000000 ] - [ 0.0007205900000000, -0.0003629300000000, -0.0001300600000000 ] - [ -0.0005434500000000, 0.0000026600000000, -0.0003152900000000 ] - [ -0.0005434500000000, -0.0000026600000000, 0.0003152900000000 ] - [ -0.0004996400000000, 0.0003583600000000, 0.0000471100000000 ] - [ 0.0300276100000000, 0.0205636600000000, -0.0215182400000000 ] - [ 0.0300276100000000, -0.0205636600000000, 0.0215182400000000 ] - [ 0.0008893700000000, -0.0004226000000000, -0.0005808500000000 ] - [ -0.0005701000000000, 0.0002692100000000, 0.0000281200000000 ] - [ -0.0002881600000000, -0.0003312800000000, 0.0008138500000000 ] - [ -0.0003150800000000, 0.0000839200000000, -0.0002347000000000 ] - [ 0.0303678700000000, -0.0221199700000000, -0.0211778100000000 ] - [ 0.0303678700000000, 0.0221199700000000, 0.0211778100000000 ] - [ -0.0010017200000000, -0.0001757600000000, 0.0001464700000000 ] - [ -0.0003872900000000, -0.0002484300000000, -0.0001162400000000 ] - [ 0.0008771000000000, 0.0006112300000000, -0.0003582900000000 ] - [ 0.0008771000000000, -0.0006112300000000, 0.0003582900000000 ] - [ -0.0002123300000000, -0.0007933500000000, -0.0003632500000000 ] - [ -0.0005562100000000, -0.0000587800000000, 0.0003417100000000 ] - [ -0.0002123300000000, 0.0007933500000000, 0.0003632500000000 ] - [ -0.0003872900000000, 0.0002484300000000, 0.0001162400000000 ] - [ -0.0005562100000000, 0.0000587800000000, -0.0003417100000000 ] - [ -0.0003150800000000, -0.0000839200000000, 0.0002347000000000 ] - [ -0.0002881600000000, 0.0003312800000000, -0.0008138500000000 ] - [ 0.0008893700000000, 0.0004226000000000, 0.0005808500000000 ] - [ -0.0005701000000000, -0.0002692100000000, -0.0000281200000000 ] - [ -0.0010308700000000, -0.0001598100000000, -0.0002480000000000 ] - [ -0.0010308700000000, 0.0001598100000000, 0.0002480000000000 ] - [ -0.0010017200000000, 0.0001757600000000, -0.0001464700000000 ] - [ 0.0002680800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002727000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.1542635000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004516100000000, -0.0002545300000000, -0.0001981400000000 ] - [ 0.0004516100000000, 0.0002545300000000, 0.0001981400000000 ] - [ 0.0004517400000000, -0.0001957500000000, 0.0002483600000000 ] - [ 0.0004517400000000, 0.0001957500000000, -0.0002483600000000 ] - [ 0.0011056300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003924100000000, 0.0000526500000000, 0.0000910100000000 ] - [ 0.0003640500000000, -0.0000624100000000, 0.0000237000000000 ] - [ -0.0001250800000000, -0.0024366200000000, 0.0002990200000000 ] - [ 0.0003640500000000, 0.0000624100000000, -0.0000237000000000 ] - [ 0.0003924100000000, -0.0000526500000000, -0.0000910100000000 ] - [ -0.0001495200000000, -0.0003356400000000, -0.0024160400000000 ] - [ -0.0001495200000000, 0.0003356400000000, 0.0024160400000000 ] - [ -0.0001250800000000, 0.0024366200000000, -0.0002990200000000 ] - [ 0.0049580600000000, -0.0099654500000000, 0.0107347600000000 ] - [ 0.0049580600000000, 0.0099654500000000, -0.0107347600000000 ] - [ -0.0004757400000000, 0.0001330700000000, -0.0002412800000000 ] - [ 0.0003663700000000, -0.0000558800000000, -0.0000452600000000 ] - [ -0.0002212800000000, -0.0002470000000000, -0.0022256300000000 ] - [ 0.0004450800000000, -0.0000789100000000, 0.0000067900000000 ] - [ 0.0049573800000000, 0.0106792000000000, 0.0098688400000000 ] - [ 0.0049573800000000, -0.0106792000000000, -0.0098688400000000 ] - [ 0.0032994400000000, 0.0004763600000000, -0.0003254500000000 ] - [ 0.0004153500000000, 0.0000237100000000, 0.0001023800000000 ] - [ -0.0004576100000000, 0.0002185400000000, 0.0001643400000000 ] - [ -0.0004576100000000, -0.0002185400000000, -0.0001643400000000 ] - [ -0.0001838900000000, 0.0022147500000000, -0.0002151900000000 ] - [ 0.0003500400000000, 0.0000687200000000, -0.0000255500000000 ] - [ -0.0001838900000000, -0.0022147500000000, 0.0002151900000000 ] - [ 0.0004153500000000, -0.0000237100000000, -0.0001023800000000 ] - [ 0.0003500400000000, -0.0000687200000000, 0.0000255500000000 ] - [ 0.0004450800000000, 0.0000789100000000, -0.0000067900000000 ] - [ -0.0002212800000000, 0.0002470000000000, 0.0022256300000000 ] - [ -0.0004757400000000, -0.0001330700000000, 0.0002412800000000 ] - [ 0.0003663700000000, 0.0000558800000000, 0.0000452600000000 ] - [ 0.0033141600000000, 0.0003406600000000, 0.0004424000000000 ] - [ 0.0033141600000000, -0.0003406600000000, -0.0004424000000000 ] - [ 0.0032994400000000, -0.0004763600000000, 0.0003254500000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008612400000000, -0.0013313500000000, -0.0014471200000000 ] - [ -0.0002005300000000, -0.0000011000000000, 0.0001327700000000 ] - [ 0.0001409200000000, -0.0001753800000000, -0.0000333000000000 ] - [ -0.0002852100000000, -0.0002424200000000, 0.0000693200000000 ] - [ 0.0036804800000000, -0.0011306800000000, -0.0015500000000000 ] - [ 0.0029163500000000, 0.0009464600000000, -0.0003082300000000 ] - [ 0.0028008300000000, -0.0000437300000000, 0.0007605800000000 ] - [ -0.0001038400000000, -0.0005759300000000, -0.0006161100000000 ] - [ -0.0002835300000000, -0.0000167600000000, 0.0000750500000000 ] - [ -0.0008368600000000, 0.0002286300000000, -0.0001665000000000 ] - [ -0.0000210800000000, -0.0001245800000000, -0.0000014500000000 ] - [ 0.0001306200000000, 0.0002670400000000, 0.0003994600000000 ] - [ -0.0002792900000000, -0.0002536900000000, 0.0000712100000000 ] - [ 0.0005622800000000, -0.0011029000000000, 0.0012727200000000 ] - [ -0.0004607600000000, 0.0000309700000000, 0.0005123800000000 ] - [ -0.0002448900000000, -0.0000171300000000, -0.0000212300000000 ] - [ 0.0002804400000000, 0.0002257800000000, -0.0003952300000000 ] - [ 0.0001352600000000, -0.0001968700000000, -0.0001483500000000 ] - [ -0.0020316600000000, 0.0011160700000000, 0.0015573300000000 ] - [ -0.0006388200000000, 0.0000389800000000, -0.0000467300000000 ] - [ -0.0003333100000000, 0.0001803600000000, -0.0002026000000000 ] - [ 0.0001871500000000, 0.0002205000000000, 0.0002228200000000 ] - [ -0.0003125300000000, -0.0000008400000000, -0.0000864100000000 ] - [ 0.0018712100000000, -0.0019931900000000, 0.0007380300000000 ] - [ 0.0118721200000000, -0.0019696000000000, 0.0007781600000000 ] - [ 0.0002551300000000, -0.0001580800000000, -0.0000310200000000 ] - [ -0.0022891000000000, -0.0013971300000000, -0.0008551800000000 ] - [ -0.0003583400000000, 0.0007270700000000, 0.0002499600000000 ] - [ 0.0001952100000000, 0.0000163600000000, -0.0000261700000000 ] - [ 0.0004358900000000, 0.0001644100000000, 0.0002040500000000 ] - [ 0.0003095800000000, 0.0001966900000000, -0.0007785800000000 ] - [ 0.0021333700000000, 0.0004098900000000, 0.0001934300000000 ] - [ 0.0001334600000000, 0.0002043000000000, 0.0000453600000000 ] - [ 0.0035033700000000, 0.0100152100000000, 0.0102332000000000 ] - [ 0.0003797700000000, -0.0002930800000000, -0.0000242000000000 ] - [ 0.0000562900000000, 0.0000768400000000, 0.0000668900000000 ] - [ 0.0034264700000000, 0.0024209700000000, -0.0029633400000000 ] - [ 0.0005547700000000, -0.0003835400000000, -0.0003246400000000 ] - [ -0.0000587400000000, 0.0000898100000000, 0.0000386200000000 ] - [ -0.0001435300000000, 0.0000710000000000, -0.0000288100000000 ] - [ -0.0409040400000000, -0.0040719700000000, -0.0040641400000000 ] - [ -0.0002919600000000, 0.0000326900000000, -0.0000632600000000 ] - [ 0.0005850300000000, -0.0000303300000000, 0.0003785200000000 ] - [ -0.0002912500000000, -0.0001561300000000, -0.0003772100000000 ] - [ -0.0004930100000000, 0.0002328500000000, 0.0002999600000000 ] - [ 0.0003043800000000, 0.0009152000000000, -0.0002352800000000 ] - [ 0.0007799500000000, -0.0003016900000000, 0.0009168800000000 ] - [ 0.0002228700000000, 0.0001515700000000, 0.0000227100000000 ] - [ -0.0000839600000000, -0.0000315100000000, 0.0004344800000000 ] - [ 0.0041801000000000, 0.0001614600000000, -0.0054405300000000 ] - [ 0.0002231500000000, 0.0004631300000000, -0.0000917100000000 ] - [ -0.0000796100000000, 0.0002074100000000, 0.0000718500000000 ] - [ 0.0006515600000000, -0.0003224800000000, 0.0000017900000000 ] - [ -0.0003175000000000, -0.0006953800000000, -0.0027229000000000 ] - [ 0.0002411200000000, 0.0000540000000000, 0.0001045000000000 ] - [ -0.0000183800000000, -0.0002069800000000, -0.0005185200000000 ] - [ -0.0000132800000000, 0.0001657200000000, 0.0000061700000000 ] - [ -0.0002506300000000, -0.0000135700000000, -0.0000931100000000 ] - [ 0.0005344500000000, 0.0004469000000000, -0.0003966700000000 ] - [ 0.0002361300000000, 0.0005321600000000, 0.0001111200000000 ] - [ 0.0002270000000000, 0.0000444600000000, -0.0001612800000000 ] - [ -0.0002306600000000, 0.0004611900000000, 0.0000140700000000 ] - [ 0.0002295400000000, -0.0000338500000000, -0.0000143300000000 ] - [ -0.0009380700000000, -0.0000236100000000, -0.0002522500000000 ] - [ 0.0009806700000000, 0.0039869300000000, 0.0002416700000000 ] - [ 0.0017922900000000, -0.0053554500000000, -0.0002278000000000 ] - [ 0.0026154500000000, -0.0002271200000000, 0.0001473400000000 ] - [ 0.0028971600000000, -0.0026408100000000, 0.0006140700000000 ] - [ -0.0017108800000000, -0.0003183000000000, 0.0001437800000000 ] - [ 0.0001524400000000, -0.0000246700000000, 0.0002632900000000 ] - [ -0.0003650700000000, 0.0003624700000000, -0.0006692100000000 ] - [ 0.0029172800000000, -0.0000036700000000, 0.0039898600000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009044500000000, 0.0013733100000000, 0.0014885500000000 ] - [ 0.0001585600000000, 0.0000432500000000, -0.0001749400000000 ] - [ -0.0000968400000000, 0.0001317200000000, -0.0000097400000000 ] - [ 0.0002429200000000, 0.0001996100000000, -0.0000272500000000 ] - [ -0.0039752000000000, 0.0010537200000000, 0.0014734100000000 ] - [ -0.0029569500000000, -0.0009923400000000, 0.0003618000000000 ] - [ -0.0028442900000000, 0.0000920800000000, -0.0008084100000000 ] - [ 0.0001454900000000, 0.0006125000000000, 0.0006513000000000 ] - [ 0.0003137400000000, 0.0000284900000000, -0.0001446100000000 ] - [ 0.0008644500000000, -0.0002379600000000, 0.0002340300000000 ] - [ 0.0000315000000000, 0.0000528300000000, 0.0000320700000000 ] - [ -0.0001430600000000, -0.0003339900000000, -0.0004247700000000 ] - [ 0.0002076900000000, 0.0002848300000000, -0.0000582100000000 ] - [ -0.0004996300000000, 0.0010715700000000, -0.0012577300000000 ] - [ 0.0004294400000000, 0.0000424800000000, -0.0005028500000000 ] - [ 0.0002120900000000, -0.0000532100000000, 0.0000079600000000 ] - [ -0.0002518100000000, -0.0001593700000000, 0.0003866000000000 ] - [ -0.0002076800000000, 0.0001839800000000, 0.0001160100000000 ] - [ 0.0020093600000000, -0.0010784900000000, -0.0014789000000000 ] - [ 0.0006234700000000, -0.0000694600000000, -0.0000247100000000 ] - [ 0.0004008200000000, -0.0001715700000000, 0.0001756500000000 ] - [ -0.0001739000000000, -0.0002481900000000, -0.0001486500000000 ] - [ 0.0003782200000000, -0.0000087500000000, 0.0001130200000000 ] - [ -0.0019288200000000, 0.0019887900000000, -0.0007044600000000 ] - [ -0.0111686000000000, 0.0019887600000000, -0.0009425600000000 ] - [ -0.0001807300000000, 0.0001886500000000, 0.0000171600000000 ] - [ 0.0022095100000000, 0.0013584500000000, 0.0008394300000000 ] - [ 0.0003680300000000, -0.0006711400000000, -0.0002808700000000 ] - [ -0.0002090200000000, 0.0000568900000000, 0.0000583400000000 ] - [ -0.0004585600000000, -0.0001749300000000, -0.0002685800000000 ] - [ -0.0003341200000000, -0.0001862300000000, 0.0008370700000000 ] - [ -0.0020896200000000, -0.0004893200000000, -0.0002028000000000 ] - [ -0.0001322500000000, -0.0002032800000000, -0.0000445300000000 ] - [ -0.0034725700000000, -0.0100907900000000, -0.0103077200000000 ] - [ -0.0003789700000000, 0.0002918100000000, 0.0000260700000000 ] - [ -0.0000564200000000, -0.0000777800000000, -0.0000657700000000 ] - [ -0.0033838500000000, -0.0024289500000000, 0.0029639200000000 ] - [ -0.0005356700000000, 0.0003733800000000, 0.0003103700000000 ] - [ 0.0000648000000000, -0.0000890300000000, -0.0000388100000000 ] - [ 0.0001302500000000, -0.0000500900000000, 0.0000204800000000 ] - [ 0.0405203700000000, 0.0042650400000000, 0.0042722400000000 ] - [ 0.0002592000000000, -0.0000009000000000, 0.0000339100000000 ] - [ -0.0005538600000000, 0.0000031400000000, -0.0004055600000000 ] - [ 0.0002595800000000, 0.0001240600000000, 0.0004068700000000 ] - [ 0.0005184200000000, -0.0002602900000000, -0.0003286600000000 ] - [ -0.0003301400000000, -0.0009446600000000, 0.0002581100000000 ] - [ -0.0008047700000000, 0.0003268700000000, -0.0009434000000000 ] - [ -0.0001914000000000, -0.0001238900000000, 0.0000063500000000 ] - [ 0.0000634600000000, 0.0000146800000000, -0.0004653600000000 ] - [ -0.0042312900000000, -0.0001467900000000, 0.0055281000000000 ] - [ -0.0002386000000000, -0.0004920600000000, 0.0000706800000000 ] - [ 0.0000959500000000, -0.0002383400000000, -0.0000494200000000 ] - [ -0.0006786100000000, 0.0003004300000000, -0.0000166900000000 ] - [ 0.0003452000000000, 0.0007152900000000, 0.0026857500000000 ] - [ -0.0002186200000000, -0.0000234100000000, -0.0001200300000000 ] - [ 0.0000392900000000, 0.0001752200000000, 0.0005327800000000 ] - [ -0.0000136300000000, -0.0001334000000000, 0.0000102300000000 ] - [ 0.0002197900000000, 0.0000342000000000, 0.0001134600000000 ] - [ -0.0005169300000000, -0.0004677900000000, 0.0004234400000000 ] - [ -0.0002163300000000, -0.0005056700000000, -0.0001402800000000 ] - [ -0.0001959100000000, -0.0000611000000000, 0.0001832000000000 ] - [ 0.0002099500000000, -0.0004393800000000, 0.0000154700000000 ] - [ -0.0001976100000000, 0.0000502500000000, -0.0000081200000000 ] - [ 0.0009066800000000, -0.0000073200000000, 0.0002164900000000 ] - [ -0.0010001200000000, -0.0039794100000000, -0.0002720700000000 ] - [ -0.0017601400000000, 0.0052951400000000, 0.0002455200000000 ] - [ -0.0026476800000000, 0.0002454200000000, -0.0001351800000000 ] - [ -0.0029384800000000, 0.0026982500000000, -0.0005994300000000 ] - [ 0.0017275900000000, 0.0003336600000000, -0.0001457700000000 ] - [ -0.0001255600000000, 0.0000420800000000, -0.0002966100000000 ] - [ 0.0003947700000000, -0.0003740200000000, 0.0006946600000000 ] - [ -0.0029167700000000, -0.0000275900000000, -0.0039670700000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021065500000000, -0.0002126400000000, -0.0001102000000000 ] - [ -0.0002446800000000, 0.0001400500000000, -0.0000598400000000 ] - [ -0.0007005100000000, 0.0002006900000000, 0.0000310600000000 ] - [ -0.0005124200000000, -0.0004558000000000, -0.0000347700000000 ] - [ 0.0002096200000000, -0.0000333100000000, -0.0003003800000000 ] - [ 0.0004721400000000, -0.0000121700000000, -0.0009130000000000 ] - [ 0.0004560600000000, -0.0000697300000000, 0.0002361000000000 ] - [ -0.0002883700000000, -0.0001751100000000, -0.0000055600000000 ] - [ 0.0034369500000000, 0.0014027400000000, -0.0014318500000000 ] - [ -0.0011183500000000, 0.0014528800000000, -0.0015078400000000 ] - [ 0.0022320300000000, 0.0001779500000000, -0.0000899300000000 ] - [ 0.0002847900000000, 0.0004549800000000, 0.0005417000000000 ] - [ -0.0005836600000000, -0.0001607100000000, 0.0006243300000000 ] - [ -0.0002164200000000, 0.0000296300000000, -0.0001973600000000 ] - [ 0.0026920400000000, -0.0008162800000000, 0.0001839000000000 ] - [ 0.0027091600000000, -0.0000711900000000, 0.0008275700000000 ] - [ 0.0139668800000000, -0.0006842700000000, -0.0003071300000000 ] - [ 0.0001322000000000, 0.0013485600000000, -0.0003193100000000 ] - [ -0.0003480800000000, 0.0004038400000000, 0.0003503600000000 ] - [ -0.0002788800000000, -0.0000466600000000, -0.0000484000000000 ] - [ 0.0001777200000000, 0.0002592500000000, -0.0000609100000000 ] - [ -0.0009046500000000, 0.0001327600000000, -0.0001548500000000 ] - [ 0.0002640300000000, -0.0002202300000000, 0.0000770300000000 ] - [ 0.0000942800000000, -0.0000565200000000, -0.0000061600000000 ] - [ -0.0003034300000000, -0.0001532500000000, 0.0001000600000000 ] - [ -0.0002186100000000, -0.0000085300000000, 0.0002225000000000 ] - [ -0.0001530100000000, -0.0000043300000000, -0.0001540500000000 ] - [ 0.0003311100000000, 0.0002976100000000, -0.0002531700000000 ] - [ 0.0003702300000000, -0.0001477900000000, -0.0000811400000000 ] - [ -0.0020854700000000, -0.0015544900000000, -0.0008833900000000 ] - [ -0.0019931700000000, 0.0007683100000000, 0.0016274600000000 ] - [ 0.0007973800000000, -0.0011394100000000, 0.0010169900000000 ] - [ 0.0003772700000000, 0.0000233000000000, -0.0001732700000000 ] - [ -0.0003891800000000, -0.0004068400000000, -0.0001770800000000 ] - [ 0.0049665500000000, -0.0102466200000000, 0.0109299700000000 ] - [ 0.0004571800000000, -0.0002301500000000, -0.0000507900000000 ] - [ 0.0003345900000000, -0.0000566500000000, -0.0000602600000000 ] - [ -0.0004820600000000, -0.0001644300000000, -0.0000921100000000 ] - [ -0.0003617600000000, 0.0000787900000000, -0.0002382600000000 ] - [ 0.0033327900000000, 0.0030202500000000, -0.0028479700000000 ] - [ -0.0000611800000000, -0.0000680500000000, -0.0002968200000000 ] - [ 0.0002144400000000, -0.0004346000000000, -0.0001867300000000 ] - [ 0.0000164600000000, -0.0004726800000000, -0.0000117600000000 ] - [ -0.0000460000000000, 0.0005041800000000, 0.0001182300000000 ] - [ 0.0042335000000000, -0.0001603100000000, 0.0053375200000000 ] - [ 0.0001265300000000, 0.0000468200000000, 0.0002484100000000 ] - [ -0.0003909700000000, -0.0005952700000000, -0.0007210000000000 ] - [ 0.0029191000000000, 0.0039770000000000, -0.0002191500000000 ] - [ -0.0448005700000000, 0.0036756000000000, -0.0048839800000000 ] - [ -0.0007238700000000, -0.0002352700000000, 0.0002879000000000 ] - [ -0.0005867900000000, 0.0006090500000000, -0.0005899300000000 ] - [ 0.0000043600000000, 0.0000893700000000, 0.0001335300000000 ] - [ 0.0027414300000000, -0.0005809300000000, -0.0037899700000000 ] - [ 0.0004193500000000, 0.0001369600000000, 0.0005259200000000 ] - [ 0.0008358800000000, 0.0001813500000000, 0.0008968000000000 ] - [ 0.0008364400000000, -0.0009108800000000, -0.0001228300000000 ] - [ 0.0025260000000000, -0.0000409000000000, 0.0001465100000000 ] - [ 0.0023617900000000, -0.0038956100000000, -0.0008717200000000 ] - [ -0.0000167700000000, 0.0000447300000000, 0.0000375700000000 ] - [ -0.0000051200000000, 0.0000061400000000, -0.0000172400000000 ] - [ 0.0001306600000000, -0.0002804600000000, -0.0000484500000000 ] - [ 0.0003213300000000, -0.0000457000000000, 0.0001038200000000 ] - [ -0.0005651000000000, 0.0010878000000000, 0.0008738400000000 ] - [ -0.0000699700000000, 0.0002907500000000, 0.0000444200000000 ] - [ 0.0000858100000000, 0.0000002200000000, -0.0000334300000000 ] - [ -0.0000062200000000, -0.0000518100000000, -0.0005030700000000 ] - [ 0.0000066500000000, 0.0001062200000000, 0.0004335200000000 ] - [ -0.0001127400000000, -0.0000386300000000, 0.0000499400000000 ] - [ -0.0000423100000000, -0.0000167900000000, -0.0001059900000000 ] - [ 0.0002158200000000, 0.0037879600000000, 0.0001515900000000 ] - [ -0.0003574000000000, -0.0001875200000000, -0.0027589700000000 ] - [ 0.0007705900000000, 0.0004067700000000, -0.0004385400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020496000000000, 0.0002599100000000, 0.0001223100000000 ] - [ 0.0002000100000000, -0.0000975000000000, 0.0000175700000000 ] - [ 0.0007418300000000, -0.0002413200000000, -0.0000723600000000 ] - [ 0.0004701800000000, 0.0004172800000000, 0.0000781600000000 ] - [ -0.0001714500000000, -0.0000026600000000, 0.0002635200000000 ] - [ -0.0005056000000000, -0.0000259600000000, 0.0009414600000000 ] - [ -0.0004889700000000, 0.0001075300000000, -0.0002701700000000 ] - [ 0.0003319400000000, 0.0002178200000000, 0.0000477600000000 ] - [ -0.0037340000000000, -0.0013657900000000, 0.0013325300000000 ] - [ 0.0011506400000000, -0.0014680900000000, 0.0015812300000000 ] - [ -0.0021997700000000, -0.0002239900000000, 0.0001281900000000 ] - [ -0.0002941400000000, -0.0005217800000000, -0.0005684900000000 ] - [ 0.0005178200000000, 0.0001925000000000, -0.0006202100000000 ] - [ 0.0002863400000000, -0.0000591100000000, 0.0002083500000000 ] - [ -0.0027224600000000, 0.0008934200000000, -0.0001653800000000 ] - [ -0.0027413000000000, -0.0000020700000000, -0.0008469300000000 ] - [ -0.0131995100000000, 0.0008231500000000, 0.0001670100000000 ] - [ -0.0001951600000000, -0.0013451800000000, 0.0002889500000000 ] - [ 0.0003352600000000, -0.0003772200000000, -0.0002833800000000 ] - [ 0.0002653200000000, 0.0000163900000000, -0.0000218700000000 ] - [ -0.0001085100000000, -0.0002491700000000, 0.0000338900000000 ] - [ 0.0009128300000000, -0.0001608300000000, 0.0002213500000000 ] - [ -0.0001914100000000, 0.0002049700000000, -0.0000440000000000 ] - [ -0.0001651100000000, 0.0000707400000000, 0.0000379500000000 ] - [ 0.0003153500000000, 0.0001822600000000, -0.0001689500000000 ] - [ 0.0002889600000000, 0.0000376800000000, -0.0002337400000000 ] - [ 0.0000822800000000, -0.0000245700000000, 0.0001427400000000 ] - [ -0.0003175600000000, -0.0002246100000000, 0.0002200000000000 ] - [ -0.0003756500000000, 0.0002129800000000, 0.0001092800000000 ] - [ 0.0020449900000000, 0.0015330400000000, 0.0008096600000000 ] - [ 0.0019554900000000, -0.0007532900000000, -0.0015500000000000 ] - [ -0.0007756900000000, 0.0010702400000000, -0.0010064200000000 ] - [ -0.0003764800000000, -0.0000259300000000, 0.0001735500000000 ] - [ 0.0003748100000000, 0.0003907700000000, 0.0001718100000000 ] - [ -0.0049517500000000, 0.0103321600000000, -0.0110190600000000 ] - [ -0.0004572700000000, 0.0002306300000000, 0.0000564300000000 ] - [ -0.0003349700000000, 0.0000578300000000, 0.0000600500000000 ] - [ 0.0004784900000000, 0.0001632000000000, 0.0000900900000000 ] - [ 0.0003467600000000, -0.0000739100000000, 0.0002226500000000 ] - [ -0.0032811500000000, -0.0030203100000000, 0.0028443500000000 ] - [ 0.0000879400000000, 0.0000963000000000, 0.0003272700000000 ] - [ -0.0002459800000000, 0.0004656100000000, 0.0001563400000000 ] - [ 0.0000169900000000, 0.0004424400000000, -0.0000190900000000 ] - [ 0.0000116700000000, -0.0005333800000000, -0.0000869600000000 ] - [ -0.0041762100000000, 0.0001280200000000, -0.0053146000000000 ] - [ -0.0001532900000000, -0.0000762100000000, -0.0002230000000000 ] - [ 0.0003668600000000, 0.0006192100000000, 0.0006885600000000 ] - [ -0.0029145400000000, -0.0039898500000000, 0.0002507400000000 ] - [ 0.0442967900000000, -0.0038841600000000, 0.0050947300000000 ] - [ 0.0007033800000000, 0.0002546400000000, -0.0002623100000000 ] - [ 0.0005743500000000, -0.0006243800000000, 0.0005595000000000 ] - [ 0.0000130600000000, -0.0001133200000000, -0.0001169100000000 ] - [ -0.0027916000000000, 0.0005700300000000, 0.0038120800000000 ] - [ -0.0003935200000000, -0.0001145700000000, -0.0005435000000000 ] - [ -0.0008133700000000, -0.0001512400000000, -0.0009155700000000 ] - [ -0.0008128100000000, 0.0008829500000000, 0.0001400900000000 ] - [ -0.0025508700000000, 0.0000719800000000, -0.0001322100000000 ] - [ -0.0023737200000000, 0.0038826000000000, 0.0008837500000000 ] - [ 0.0000403300000000, -0.0000659700000000, -0.0000105900000000 ] - [ 0.0000274300000000, 0.0000137100000000, -0.0000095500000000 ] - [ -0.0001009300000000, 0.0002627700000000, 0.0000685300000000 ] - [ -0.0003448000000000, 0.0000645300000000, -0.0000765400000000 ] - [ 0.0006000700000000, -0.0010604200000000, -0.0008817900000000 ] - [ 0.0000408700000000, -0.0003135400000000, -0.0000627500000000 ] - [ -0.0001075300000000, -0.0000212200000000, 0.0000059800000000 ] - [ 0.0000293600000000, 0.0000325900000000, 0.0005222600000000 ] - [ -0.0000296700000000, -0.0000859300000000, -0.0004151500000000 ] - [ 0.0000941200000000, 0.0000631500000000, -0.0000328300000000 ] - [ 0.0000601100000000, 0.0000424200000000, 0.0000851000000000 ] - [ -0.0001983300000000, -0.0037440700000000, -0.0001761000000000 ] - [ 0.0003754200000000, 0.0001673300000000, 0.0027683900000000 ] - [ -0.0007933800000000, -0.0004332500000000, 0.0004162600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008267800000000, 0.0016099300000000, 0.0015774800000000 ] - [ -0.0001738300000000, -0.0005750800000000, -0.0002068500000000 ] - [ 0.0002738300000000, 0.0000861100000000, -0.0001446600000000 ] - [ -0.0002697200000000, 0.0001033600000000, -0.0002132800000000 ] - [ 0.0001112800000000, -0.0002704300000000, 0.0000031500000000 ] - [ -0.0004459900000000, -0.0005953000000000, -0.0006284200000000 ] - [ -0.0004327900000000, 0.0002119000000000, -0.0001704900000000 ] - [ 0.0001466200000000, -0.0001889400000000, -0.0001075600000000 ] - [ 0.0001503400000000, 0.0028297200000000, -0.0010036400000000 ] - [ 0.0011686600000000, -0.0006049100000000, 0.0014460600000000 ] - [ 0.0024566500000000, 0.0101435000000000, 0.0022320500000000 ] - [ 0.0001895000000000, -0.0000844500000000, -0.0005632200000000 ] - [ -0.0006265400000000, 0.0003148400000000, 0.0005707600000000 ] - [ 0.0003990200000000, -0.0004151300000000, 0.0002878000000000 ] - [ -0.0010110000000000, 0.0030642900000000, 0.0002676900000000 ] - [ 0.0011062100000000, 0.0052191400000000, 0.0008742400000000 ] - [ 0.0016645900000000, 0.0019462200000000, -0.0001085000000000 ] - [ 0.0013578300000000, 0.0000114500000000, 0.0012656200000000 ] - [ 0.0003265400000000, -0.0003361000000000, -0.0003279200000000 ] - [ 0.0002817500000000, 0.0003621600000000, 0.0003589500000000 ] - [ -0.0009908600000000, -0.0021970100000000, 0.0012827800000000 ] - [ -0.0000292100000000, 0.0002687800000000, -0.0001267600000000 ] - [ -0.0000816500000000, 0.0001859900000000, 0.0001739800000000 ] - [ -0.0000116100000000, -0.0002324800000000, 0.0001508700000000 ] - [ -0.0000722900000000, -0.0002067900000000, 0.0001474700000000 ] - [ 0.0001658900000000, 0.0002064900000000, 0.0000714400000000 ] - [ -0.0001652800000000, -0.0002698500000000, 0.0000954000000000 ] - [ -0.0002368000000000, -0.0006468600000000, 0.0000301200000000 ] - [ 0.0013489200000000, -0.0020883100000000, -0.0009549000000000 ] - [ 0.0000294300000000, -0.0002023900000000, -0.0001829100000000 ] - [ -0.0000485000000000, 0.0000792100000000, 0.0002482500000000 ] - [ -0.0003751000000000, -0.0001796800000000, 0.0000061100000000 ] - [ -0.0000395800000000, 0.0000629100000000, 0.0000954700000000 ] - [ 0.0003759300000000, 0.0005361900000000, 0.0002072000000000 ] - [ -0.0099485900000000, 0.0020778500000000, -0.0098602900000000 ] - [ 0.0000617800000000, -0.0004641100000000, -0.0002679600000000 ] - [ -0.0001471700000000, 0.0003588700000000, -0.0000913200000000 ] - [ 0.0002921000000000, 0.0001508000000000, -0.0000156300000000 ] - [ -0.0025618400000000, 0.0031659600000000, -0.0022260400000000 ] - [ 0.0003254700000000, 0.0004892600000000, -0.0001304500000000 ] - [ -0.0000079700000000, 0.0002453300000000, 0.0000258300000000 ] - [ -0.0001278900000000, -0.0002028800000000, -0.0000680300000000 ] - [ 0.0000183000000000, 0.0005100100000000, -0.0000574600000000 ] - [ -0.0005396200000000, 0.0002089300000000, 0.0000393000000000 ] - [ -0.0001491700000000, -0.0017329500000000, -0.0002610600000000 ] - [ -0.0000484900000000, -0.0001029700000000, -0.0001276700000000 ] - [ -0.0003877400000000, 0.0029452000000000, 0.0027027800000000 ] - [ 0.0039793700000000, 0.0010027500000000, 0.0000084200000000 ] - [ 0.0038693800000000, -0.0376786400000000, 0.0041977400000000 ] - [ 0.0002340200000000, 0.0003167300000000, -0.0010109000000000 ] - [ 0.0007159300000000, 0.0008230400000000, -0.0037952000000000 ] - [ 0.0000197600000000, -0.0003725000000000, -0.0005257600000000 ] - [ -0.0006993800000000, -0.0005925000000000, 0.0007146900000000 ] - [ 0.0001513000000000, 0.0000052300000000, -0.0000209700000000 ] - [ -0.0001224700000000, -0.0004208000000000, -0.0002383100000000 ] - [ -0.0008971100000000, 0.0002109900000000, 0.0002370200000000 ] - [ -0.0001516200000000, -0.0000379700000000, 0.0001774000000000 ] - [ -0.0040249400000000, 0.0013420100000000, 0.0010806100000000 ] - [ 0.0005552000000000, 0.0003226000000000, -0.0001322800000000 ] - [ 0.0000518000000000, -0.0000058800000000, -0.0000677800000000 ] - [ 0.0003695700000000, 0.0025433400000000, 0.0002785100000000 ] - [ -0.0005567100000000, -0.0000184500000000, 0.0000422300000000 ] - [ 0.0008409100000000, 0.0013384600000000, 0.0038642900000000 ] - [ -0.0000864300000000, 0.0003404800000000, 0.0002918300000000 ] - [ -0.0001384200000000, 0.0000867500000000, -0.0000022500000000 ] - [ 0.0001277800000000, -0.0001133800000000, -0.0001394600000000 ] - [ -0.0000002900000000, -0.0000419800000000, -0.0004209400000000 ] - [ 0.0001406300000000, 0.0002814300000000, -0.0005014900000000 ] - [ -0.0004186200000000, 0.0007901400000000, -0.0004326100000000 ] - [ 0.0037981900000000, 0.0045056100000000, 0.0002191900000000 ] - [ 0.0001861200000000, -0.0006667300000000, -0.0001364000000000 ] - [ -0.0004385700000000, 0.0002415000000000, -0.0000033800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008735300000000, -0.0015791900000000, -0.0015675100000000 ] - [ 0.0001322900000000, 0.0006199600000000, 0.0001656000000000 ] - [ -0.0002326800000000, -0.0001304500000000, 0.0001024000000000 ] - [ 0.0002324700000000, -0.0001441900000000, 0.0002566400000000 ] - [ -0.0000732800000000, 0.0002350700000000, -0.0000405700000000 ] - [ 0.0004039000000000, 0.0005581800000000, 0.0006531500000000 ] - [ 0.0003966400000000, -0.0001720500000000, 0.0001328200000000 ] - [ -0.0001039800000000, 0.0002324200000000, 0.0001500300000000 ] - [ -0.0001091800000000, -0.0028192700000000, 0.0009301600000000 ] - [ -0.0011360500000000, 0.0005932600000000, -0.0013753800000000 ] - [ -0.0024862100000000, -0.0108717000000000, -0.0022152700000000 ] - [ -0.0002019800000000, 0.0000164900000000, 0.0005403200000000 ] - [ 0.0005646500000000, -0.0002892700000000, -0.0005665100000000 ] - [ -0.0003305800000000, 0.0003863200000000, -0.0002771200000000 ] - [ 0.0009764200000000, -0.0029943200000000, -0.0002432900000000 ] - [ -0.0011915600000000, -0.0049238700000000, -0.0009188700000000 ] - [ -0.0016602000000000, -0.0018887300000000, 0.0000944300000000 ] - [ -0.0014312500000000, -0.0000124500000000, -0.0013006700000000 ] - [ -0.0003360400000000, 0.0003681400000000, 0.0003954400000000 ] - [ -0.0002941200000000, -0.0003936700000000, -0.0004281000000000 ] - [ 0.0010665400000000, 0.0022173500000000, -0.0013198100000000 ] - [ 0.0000425100000000, -0.0002997900000000, 0.0001977900000000 ] - [ 0.0001505400000000, -0.0001986300000000, -0.0001455200000000 ] - [ -0.0000570700000000, 0.0002440900000000, -0.0001213500000000 ] - [ 0.0000842100000000, 0.0002391600000000, -0.0002187700000000 ] - [ -0.0000981000000000, -0.0001793400000000, -0.0000813300000000 ] - [ 0.0000969100000000, 0.0002407400000000, -0.0001060900000000 ] - [ 0.0002480100000000, 0.0007172000000000, -0.0000592700000000 ] - [ -0.0013666600000000, 0.0021639600000000, 0.0009895400000000 ] - [ -0.0000552200000000, 0.0001981900000000, 0.0001167800000000 ] - [ 0.0000238600000000, -0.0000691900000000, -0.0001851000000000 ] - [ 0.0003974400000000, 0.0001160500000000, 0.0000009800000000 ] - [ 0.0000379900000000, -0.0000644600000000, -0.0000945100000000 ] - [ -0.0003895800000000, -0.0005544400000000, -0.0002139000000000 ] - [ 0.0098865000000000, -0.0021288300000000, 0.0097965100000000 ] - [ -0.0000644800000000, 0.0004675900000000, 0.0002695900000000 ] - [ 0.0001452800000000, -0.0003600200000000, 0.0000930600000000 ] - [ -0.0002938000000000, -0.0001527600000000, 0.0000139700000000 ] - [ 0.0025503100000000, -0.0032006600000000, 0.0022141900000000 ] - [ -0.0003403400000000, -0.0005089700000000, 0.0001468800000000 ] - [ 0.0000382400000000, -0.0002163700000000, 0.0000080800000000 ] - [ 0.0000965500000000, 0.0002383200000000, 0.0000372300000000 ] - [ 0.0000143100000000, -0.0005418900000000, 0.0000266900000000 ] - [ 0.0005113700000000, -0.0002438600000000, -0.0000082700000000 ] - [ 0.0001589200000000, 0.0017054100000000, 0.0002116500000000 ] - [ 0.0000181900000000, 0.0000727400000000, 0.0001556100000000 ] - [ 0.0003491700000000, -0.0028903600000000, -0.0027064200000000 ] - [ -0.0039770700000000, -0.0009778000000000, 0.0000249900000000 ] - [ -0.0036905300000000, 0.0380085500000000, -0.0040639400000000 ] - [ -0.0002531700000000, -0.0002946000000000, 0.0010302500000000 ] - [ -0.0007421100000000, -0.0008466200000000, 0.0038090800000000 ] - [ 0.0000031300000000, 0.0003527300000000, 0.0005412600000000 ] - [ 0.0006880400000000, 0.0005711600000000, -0.0007437700000000 ] - [ -0.0001282000000000, 0.0000106500000000, -0.0000044000000000 ] - [ 0.0001381500000000, 0.0004479800000000, 0.0002168100000000 ] - [ 0.0009126700000000, -0.0002375000000000, -0.0002179300000000 ] - [ 0.0001299600000000, 0.0000641700000000, -0.0001554200000000 ] - [ 0.0040355700000000, -0.0013221400000000, -0.0010691100000000 ] - [ -0.0005344400000000, -0.0003413000000000, 0.0001568300000000 ] - [ -0.0000287300000000, 0.0000237900000000, 0.0000437900000000 ] - [ -0.0003504200000000, -0.0025635100000000, -0.0002656500000000 ] - [ 0.0005330800000000, 0.0000368900000000, -0.0000182800000000 ] - [ -0.0008243200000000, -0.0013255100000000, -0.0039120900000000 ] - [ 0.0000637700000000, -0.0003664000000000, -0.0003103000000000 ] - [ 0.0001153100000000, -0.0001042900000000, -0.0000217300000000 ] - [ -0.0001055200000000, 0.0000966000000000, 0.0001654600000000 ] - [ -0.0000211500000000, 0.0000577300000000, 0.0004425200000000 ] - [ -0.0001639300000000, -0.0002602500000000, 0.0005209300000000 ] - [ 0.0004442600000000, -0.0007662500000000, 0.0004181100000000 ] - [ -0.0037361700000000, -0.0044438800000000, -0.0002441800000000 ] - [ -0.0001716100000000, 0.0006466500000000, 0.0001691300000000 ] - [ 0.0004190300000000, -0.0002687800000000, -0.0000182700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0024835800000000, -0.0006624300000000, 0.0131685500000000 ] - [ -0.0000303200000000, 0.0001906900000000, 0.0000963300000000 ] - [ -0.0001436500000000, -0.0000700800000000, 0.0001794700000000 ] - [ -0.0003374100000000, -0.0003853000000000, -0.0000798000000000 ] - [ 0.0010880700000000, -0.0015009900000000, -0.0021629300000000 ] - [ -0.0012582100000000, -0.0012992300000000, 0.0004619600000000 ] - [ -0.0014223100000000, 0.0008581500000000, -0.0021142900000000 ] - [ -0.0001311200000000, 0.0000583500000000, -0.0000677700000000 ] - [ 0.0001103300000000, -0.0008793100000000, 0.0028487800000000 ] - [ -0.0011122700000000, 0.0014935100000000, -0.0008871900000000 ] - [ -0.0001443400000000, -0.0000841800000000, 0.0021239700000000 ] - [ 0.0001295100000000, -0.0005562900000000, -0.0006682900000000 ] - [ 0.0004726100000000, 0.0002612000000000, -0.0001401800000000 ] - [ -0.0001265400000000, 0.0000070300000000, 0.0000263800000000 ] - [ -0.0010263700000000, 0.0012452300000000, 0.0042200000000000 ] - [ 0.0009673200000000, 0.0001397100000000, 0.0031187700000000 ] - [ -0.0022290300000000, 0.0003486500000000, 0.0019560700000000 ] - [ -0.0002538300000000, 0.0012251100000000, 0.0002054200000000 ] - [ 0.0002294300000000, -0.0002256700000000, 0.0003022800000000 ] - [ 0.0000434200000000, -0.0000313700000000, -0.0007601700000000 ] - [ 0.0001128100000000, -0.0000798900000000, 0.0002993800000000 ] - [ -0.0002499700000000, -0.0000388600000000, 0.0002674100000000 ] - [ 0.0000795500000000, 0.0000910400000000, -0.0007727300000000 ] - [ 0.0000676500000000, -0.0003496500000000, -0.0004494000000000 ] - [ -0.0002192700000000, -0.0000664500000000, -0.0002778000000000 ] - [ 0.0000143100000000, 0.0001175500000000, -0.0001868900000000 ] - [ -0.0000553000000000, -0.0000846200000000, -0.0002408000000000 ] - [ 0.0001544300000000, 0.0001211000000000, -0.0002964400000000 ] - [ -0.0001738000000000, 0.0003502400000000, 0.0003012100000000 ] - [ 0.0000275400000000, 0.0004459000000000, 0.0002093100000000 ] - [ 0.0000178200000000, -0.0001081800000000, -0.0003294200000000 ] - [ 0.0001088000000000, 0.0002276200000000, -0.0004014600000000 ] - [ 0.0001534500000000, 0.0000517200000000, -0.0000972700000000 ] - [ 0.0025279000000000, 0.0027272000000000, 0.0032642400000000 ] - [ 0.0106660800000000, -0.0099955600000000, 0.0037474700000000 ] - [ -0.0000448700000000, 0.0001490900000000, 0.0001696000000000 ] - [ 0.0000629900000000, 0.0000420200000000, 0.0001021700000000 ] - [ 0.0000918400000000, 0.0001273100000000, 0.0004312100000000 ] - [ -0.0002498400000000, -0.0000800000000000, -0.0002101400000000 ] - [ -0.0004645300000000, -0.0007060900000000, 0.0008139900000000 ] - [ 0.0004669100000000, 0.0004951000000000, 0.0006816900000000 ] - [ 0.0000229300000000, 0.0000181100000000, 0.0001962300000000 ] - [ -0.0001331100000000, -0.0004255900000000, 0.0001984300000000 ] - [ 0.0001744700000000, -0.0001434200000000, -0.0002199000000000 ] - [ 0.0055196700000000, -0.0003432800000000, 0.0017583800000000 ] - [ -0.0002983200000000, -0.0002374400000000, 0.0026449300000000 ] - [ -0.0006987800000000, 0.0026949200000000, -0.0003475400000000 ] - [ 0.0000351400000000, 0.0002773600000000, -0.0009068100000000 ] - [ -0.0048973200000000, 0.0040349400000000, -0.0417120900000000 ] - [ -0.0002834300000000, -0.0010073100000000, 0.0009036600000000 ] - [ -0.0007079300000000, -0.0036996100000000, 0.0027722500000000 ] - [ 0.0001518500000000, -0.0005354700000000, 0.0004129200000000 ] - [ -0.0036937800000000, 0.0006116000000000, 0.0008260600000000 ] - [ 0.0005336600000000, -0.0000943400000000, -0.0003763200000000 ] - [ 0.0009033600000000, 0.0001495000000000, 0.0002138300000000 ] - [ 0.0001732400000000, -0.0001482000000000, -0.0004244100000000 ] - [ 0.0000470600000000, 0.0001263100000000, -0.0000403500000000 ] - [ -0.0004667600000000, 0.0008501100000000, -0.0005714700000000 ] - [ 0.0000431900000000, -0.0000970200000000, -0.0002129300000000 ] - [ 0.0000672100000000, 0.0000109100000000, 0.0003055500000000 ] - [ -0.0002144200000000, -0.0003701100000000, 0.0001239700000000 ] - [ 0.0001320100000000, 0.0000314300000000, -0.0002126800000000 ] - [ 0.0004566000000000, 0.0040224700000000, 0.0023518800000000 ] - [ 0.0001312900000000, -0.0000881800000000, -0.0000615300000000 ] - [ -0.0000021800000000, -0.0000272000000000, 0.0001896100000000 ] - [ 0.0005448800000000, 0.0000434700000000, 0.0002835900000000 ] - [ -0.0003608400000000, -0.0000232100000000, 0.0007901300000000 ] - [ -0.0001281700000000, 0.0005440000000000, -0.0000125400000000 ] - [ 0.0000002600000000, 0.0003613800000000, 0.0000100400000000 ] - [ -0.0001596000000000, -0.0002266000000000, -0.0014494000000000 ] - [ -0.0027403900000000, 0.0001411300000000, 0.0034692000000000 ] - [ 0.0004119600000000, -0.0000200200000000, 0.0002446500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0024707000000000, 0.0007860300000000, -0.0124046600000000 ] - [ -0.0000134900000000, -0.0001489200000000, -0.0001392600000000 ] - [ 0.0001873400000000, 0.0000257800000000, -0.0002221700000000 ] - [ 0.0002999600000000, 0.0003470700000000, 0.0001190900000000 ] - [ -0.0010412800000000, 0.0014559600000000, 0.0021151400000000 ] - [ 0.0012160300000000, 0.0012557800000000, -0.0004305700000000 ] - [ 0.0013739200000000, -0.0008151300000000, 0.0020655700000000 ] - [ 0.0001729100000000, -0.0000152700000000, 0.0001078600000000 ] - [ -0.0000700200000000, 0.0008955800000000, -0.0029174800000000 ] - [ 0.0011447400000000, -0.0015069200000000, 0.0009608000000000 ] - [ 0.0001649700000000, 0.0000409900000000, -0.0020771800000000 ] - [ -0.0001437700000000, 0.0004937000000000, 0.0006409200000000 ] - [ -0.0005368600000000, -0.0002286600000000, 0.0001504700000000 ] - [ 0.0001965100000000, -0.0000372300000000, -0.0000139800000000 ] - [ 0.0009429900000000, -0.0011619800000000, -0.0045596800000000 ] - [ -0.0010049900000000, -0.0002176700000000, -0.0031304500000000 ] - [ 0.0022496100000000, -0.0002745300000000, -0.0019522900000000 ] - [ 0.0001874400000000, -0.0012213500000000, -0.0002273800000000 ] - [ -0.0002375900000000, 0.0002521400000000, -0.0002330000000000 ] - [ -0.0000545600000000, 0.0000005700000000, 0.0006883800000000 ] - [ -0.0000465000000000, 0.0000844100000000, -0.0003222300000000 ] - [ 0.0002602500000000, 0.0000084000000000, -0.0001951200000000 ] - [ -0.0000102100000000, -0.0001003600000000, 0.0008016400000000 ] - [ -0.0001371500000000, 0.0003624400000000, 0.0004805200000000 ] - [ 0.0002300100000000, 0.0000958600000000, 0.0002083900000000 ] - [ 0.0000552000000000, -0.0000871900000000, 0.0001751600000000 ] - [ -0.0000131400000000, 0.0000544800000000, 0.0002304900000000 ] - [ -0.0001422800000000, -0.0000504000000000, 0.0002638400000000 ] - [ 0.0001674800000000, -0.0002837500000000, -0.0002725100000000 ] - [ -0.0000538600000000, -0.0004520100000000, -0.0002791000000000 ] - [ -0.0000449700000000, 0.0001157200000000, 0.0003926700000000 ] - [ -0.0000875000000000, -0.0002931300000000, 0.0004057600000000 ] - [ -0.0001555400000000, -0.0000525000000000, 0.0001007900000000 ] - [ -0.0025347100000000, -0.0027313700000000, -0.0032261700000000 ] - [ -0.0107467700000000, 0.0100740100000000, -0.0037092000000000 ] - [ 0.0000423400000000, -0.0001477100000000, -0.0001676700000000 ] - [ -0.0000641100000000, -0.0000407700000000, -0.0001020900000000 ] - [ -0.0000948400000000, -0.0001304100000000, -0.0004301300000000 ] - [ 0.0002326700000000, 0.0000866200000000, 0.0001953200000000 ] - [ 0.0004526700000000, 0.0006896900000000, -0.0007942800000000 ] - [ -0.0004330200000000, -0.0004602600000000, -0.0006486800000000 ] - [ -0.0000536400000000, 0.0000158000000000, -0.0002256100000000 ] - [ 0.0001649900000000, 0.0003954200000000, -0.0002282000000000 ] - [ -0.0002075500000000, 0.0001091500000000, 0.0002498200000000 ] - [ -0.0054489500000000, 0.0003080300000000, -0.0017936700000000 ] - [ 0.0002617200000000, 0.0002083600000000, -0.0026181700000000 ] - [ 0.0006650400000000, -0.0026428900000000, 0.0003156500000000 ] - [ 0.0000113400000000, -0.0002374300000000, 0.0009371200000000 ] - [ 0.0050800900000000, -0.0042248600000000, 0.0412466800000000 ] - [ 0.0002640600000000, 0.0010331900000000, -0.0008786900000000 ] - [ 0.0006802700000000, 0.0036394800000000, -0.0027646900000000 ] - [ -0.0001279800000000, 0.0005100700000000, -0.0003982400000000 ] - [ 0.0036457400000000, -0.0006237100000000, -0.0008428800000000 ] - [ -0.0005117400000000, 0.0001115500000000, 0.0003496100000000 ] - [ -0.0008878300000000, -0.0001218400000000, -0.0002343200000000 ] - [ -0.0001568400000000, 0.0001234300000000, 0.0004441600000000 ] - [ -0.0000690200000000, -0.0001018200000000, 0.0000613800000000 ] - [ 0.0004320600000000, -0.0008157600000000, 0.0005974200000000 ] - [ -0.0000172300000000, 0.0000795600000000, 0.0002343200000000 ] - [ -0.0000444600000000, 0.0000064600000000, -0.0003288900000000 ] - [ 0.0002390100000000, 0.0003508100000000, -0.0001044100000000 ] - [ -0.0001574900000000, -0.0000136900000000, 0.0002343400000000 ] - [ -0.0004428600000000, -0.0040381100000000, -0.0023852600000000 ] - [ -0.0001539100000000, 0.0000619400000000, 0.0000471200000000 ] - [ -0.0000213500000000, 0.0000091000000000, -0.0002123000000000 ] - [ -0.0005180300000000, -0.0000607300000000, -0.0002583900000000 ] - [ 0.0003379700000000, 0.0000385500000000, -0.0007671200000000 ] - [ 0.0001052200000000, -0.0005190500000000, 0.0000255100000000 ] - [ 0.0000205500000000, -0.0003372700000000, -0.0000296700000000 ] - [ 0.0001712900000000, 0.0002368200000000, 0.0014235600000000 ] - [ 0.0027903700000000, -0.0001635500000000, -0.0034783400000000 ] - [ -0.0004314200000000, -0.0000047400000000, -0.0002653700000000 ]