# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/42e75390-6bd6-4776-b3c9-09c05d0ac101/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 LiP7 / I4_1/acd (142) / materials id 27687](https://mdr.nims.go.jp/datasets/c645d574-9c88-4bb7-8779-7ab7b5eb9423) ## 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: "I4_1/acd" number: 142 Hall_symbol: "I 4bw 2aw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -6.693931445000000, 6.693931445000000, 7.268708685000000 ] # a - [ 6.693931445000000, -6.693931445000000, 7.268708685000000 ] # b - [ 6.693931445000000, 6.693931445000000, -7.268708685000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.380049590000000, 0.380049590000000, 0.260099180000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.130049590000000, 0.369950410000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.869950410000000, 0.630049590000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.119950410000000, 0.119950410000000, 0.739900820000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.369950410000000, 0.869950410000000, 0.239900820000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.619950410000000, 0.880049590000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.880049590000000, 0.619950410000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.630049590000000, 0.130049590000000, 0.760099180000000 ] mass: 6.941000 - symbol: P # 9 coordinates: [ 0.383783740000000, 0.410068560000000, 0.618407300000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.160068560000000, 0.041661260000000, 0.526284820000000 ] mass: 30.973762 - symbol: P # 11 coordinates: [ 0.515376440000000, 0.633783740000000, 0.473715180000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.458338740000000, 0.339931440000000, 0.473715180000000 ] mass: 30.973762 - symbol: P # 13 coordinates: [ 0.866216260000000, 0.984623560000000, 0.526284820000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.791661260000000, 0.765376440000000, 0.381592700000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.089931440000000, 0.116216260000000, 0.381592700000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.734623560000000, 0.708338740000000, 0.618407300000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.366216260000000, 0.839931440000000, 0.881592700000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.589931440000000, 0.208338740000000, 0.973715180000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.234623560000000, 0.616216260000000, 0.026284820000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.291661260000000, 0.910068560000000, 0.026284820000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.883783740000000, 0.265376440000000, 0.973715180000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.958338740000000, 0.484623560000000, 0.118407300000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.660068560000000, 0.133783740000000, 0.118407300000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.015376440000000, 0.541661260000000, 0.881592700000000 ] mass: 30.973762 - symbol: P # 25 coordinates: [ 0.463404180000000, 0.334624120000000, 0.756252200000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.084624120000000, 0.828371920000000, 0.371219940000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.457151980000000, 0.713404180000000, 0.628780060000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.671628080000000, 0.415375880000000, 0.628780060000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.786595820000000, 0.042848020000000, 0.371219940000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.578371920000000, 0.707151980000000, 0.243747800000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.165375880000000, 0.036595820000000, 0.243747800000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.792848020000000, 0.921628080000000, 0.756252200000000 ] mass: 30.973762 - symbol: P # 33 coordinates: [ 0.286595820000000, 0.915375880000000, 0.743747800000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.665375880000000, 0.421628080000000, 0.128780060000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.292848020000000, 0.536595820000000, 0.871219940000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.078371920000000, 0.834624120000000, 0.871219940000000 ] mass: 30.973762 - symbol: P # 37 coordinates: [ 0.963404180000000, 0.207151980000000, 0.128780060000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.171628080000000, 0.542848020000000, 0.256252200000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.584624120000000, 0.213404180000000, 0.256252200000000 ] mass: 30.973762 - symbol: P # 40 coordinates: [ 0.957151980000000, 0.328371920000000, 0.743747800000000 ] mass: 30.973762 - symbol: P # 41 coordinates: [ 0.380056710000000, 0.122164870000000, 0.405315160000000 ] mass: 30.973762 - symbol: P # 42 coordinates: [ 0.872164870000000, 0.966849710000000, 0.242108160000000 ] mass: 30.973762 - symbol: P # 43 coordinates: [ 0.724741550000000, 0.630056710000000, 0.757891840000000 ] mass: 30.973762 - symbol: P # 44 coordinates: [ 0.533150290000000, 0.627835130000000, 0.757891840000000 ] mass: 30.973762 - symbol: P # 45 coordinates: [ 0.869943290000000, 0.775258450000000, 0.242108160000000 ] mass: 30.973762 - symbol: P # 46 coordinates: [ 0.716849710000000, 0.974741550000000, 0.594684840000000 ] mass: 30.973762 - symbol: P # 47 coordinates: [ 0.377835130000000, 0.119943290000000, 0.594684840000000 ] mass: 30.973762 - symbol: P # 48 coordinates: [ 0.525258450000000, 0.783150290000000, 0.405315160000000 ] mass: 30.973762 - symbol: P # 49 coordinates: [ 0.369943290000000, 0.127835130000000, 0.094684840000000 ] mass: 30.973762 - symbol: P # 50 coordinates: [ 0.877835130000000, 0.283150290000000, 0.257891840000000 ] mass: 30.973762 - symbol: P # 51 coordinates: [ 0.025258450000000, 0.619943290000000, 0.742108160000000 ] mass: 30.973762 - symbol: P # 52 coordinates: [ 0.216849710000000, 0.622164870000000, 0.742108160000000 ] mass: 30.973762 - symbol: P # 53 coordinates: [ 0.880056710000000, 0.474741550000000, 0.257891840000000 ] mass: 30.973762 - symbol: P # 54 coordinates: [ 0.033150290000000, 0.275258450000000, 0.905315160000000 ] mass: 30.973762 - symbol: P # 55 coordinates: [ 0.372164870000000, 0.130056710000000, 0.905315160000000 ] mass: 30.973762 - symbol: P # 56 coordinates: [ 0.224741550000000, 0.466849710000000, 0.094684840000000 ] mass: 30.973762 - symbol: P # 57 coordinates: [ 0.125000000000000, 0.831522660000000, 0.206522660000000 ] mass: 30.973762 - symbol: P # 58 coordinates: [ 0.581522660000000, 0.875000000000000, 0.206522660000000 ] mass: 30.973762 - symbol: P # 59 coordinates: [ 0.668477340000000, 0.375000000000000, 0.793477340000000 ] mass: 30.973762 - symbol: P # 60 coordinates: [ 0.625000000000000, 0.918477340000000, 0.793477340000000 ] mass: 30.973762 - symbol: P # 61 coordinates: [ 0.625000000000000, 0.418477340000000, 0.293477340000000 ] mass: 30.973762 - symbol: P # 62 coordinates: [ 0.168477340000000, 0.375000000000000, 0.293477340000000 ] mass: 30.973762 - symbol: P # 63 coordinates: [ 0.081522660000000, 0.875000000000000, 0.706522660000000 ] mass: 30.973762 - symbol: P # 64 coordinates: [ 0.125000000000000, 0.331522660000000, 0.706522660000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.074694520568099, 0.068788009214322 ] # a* - [ 0.074694520568099, 0.000000000000000, 0.068788009214322 ] # b* - [ 0.074694520568099, 0.074694520568099, 0.000000000000000 ] # c*unit_cell: lattice: - [ 13.387862889999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.387862889999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.537417370000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.130049590000000, 0.130049590000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.369950410000000, 0.130049590000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.630049590000000, 0.869950410000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.369950410000000, 0.369950410000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.369950410000000, 0.869950410000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.130049590000000, 0.869950410000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.869950410000000, 0.130049590000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.130049590000000, 0.630049590000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.630049590000000, 0.630049590000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 10 coordinates: [ 0.869950410000000, 0.630049590000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 11 coordinates: [ 0.130049590000000, 0.369950410000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 12 coordinates: [ 0.869950410000000, 0.869950410000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 13 coordinates: [ 0.869950410000000, 0.369950410000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 14 coordinates: [ 0.630049590000000, 0.369950410000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 15 coordinates: [ 0.369950410000000, 0.630049590000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 16 coordinates: [ 0.630049590000000, 0.130049590000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: P # 17 coordinates: [ 0.322346060000000, 0.296061240000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.203938760000000, 0.322346060000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.796061240000000, 0.677653940000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.177653940000000, 0.296061240000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.822346060000000, 0.703938760000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.677653940000000, 0.703938760000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.203938760000000, 0.177653940000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.796061240000000, 0.822346060000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.177653940000000, 0.703938760000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.296061240000000, 0.677653940000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.703938760000000, 0.322346060000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.322346060000000, 0.703938760000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.677653940000000, 0.296061240000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.822346060000000, 0.296061240000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.296061240000000, 0.822346060000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.703938760000000, 0.177653940000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.313736070000000, 0.442516130000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.057483870000000, 0.313736070000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.942516130000000, 0.686263930000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.186263930000000, 0.442516130000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.813736070000000, 0.557483870000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.186263930000000, 0.057483870000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.557483870000000, 0.686263930000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.942516130000000, 0.813736070000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.186263930000000, 0.557483870000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.442516130000000, 0.686263930000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.557483870000000, 0.313736070000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.313736070000000, 0.557483870000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.686263930000000, 0.442516130000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.313736070000000, 0.942516130000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.942516130000000, 0.313736070000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.557483870000000, 0.186263930000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.073711660000000, 0.331603500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.168396500000000, 0.073711660000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.831603500000000, 0.926288340000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.926288340000000, 0.831603500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.073711660000000, 0.168396500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.926288340000000, 0.668396500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.168396500000000, 0.426288340000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.831603500000000, 0.573711660000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.426288340000000, 0.668396500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.331603500000000, 0.926288340000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 59 coordinates: [ 0.668396500000000, 0.073711660000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.573711660000000, 0.168396500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 61 coordinates: [ 0.426288340000000, 0.831603500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.573711660000000, 0.331603500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 63 coordinates: [ 0.331603500000000, 0.573711660000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 64 coordinates: [ 0.668396500000000, 0.426288340000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 65 coordinates: [ 0.456522660000000, 0.750000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.250000000000000, 0.956522660000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 67 coordinates: [ 0.250000000000000, 0.543477340000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 68 coordinates: [ 0.043477340000000, 0.750000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 69 coordinates: [ 0.043477340000000, 0.250000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.250000000000000, 0.043477340000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 71 coordinates: [ 0.250000000000000, 0.456522660000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.456522660000000, 0.250000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 72 - symbol: P # 73 coordinates: [ 0.822346060000000, 0.796061240000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 74 coordinates: [ 0.703938760000000, 0.822346060000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 75 coordinates: [ 0.296061240000000, 0.177653940000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 76 coordinates: [ 0.677653940000000, 0.796061240000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 77 coordinates: [ 0.322346060000000, 0.203938760000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 78 coordinates: [ 0.177653940000000, 0.203938760000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 79 coordinates: [ 0.703938760000000, 0.677653940000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 80 coordinates: [ 0.296061240000000, 0.322346060000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 81 coordinates: [ 0.677653940000000, 0.203938760000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 82 coordinates: [ 0.796061240000000, 0.177653940000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 83 coordinates: [ 0.203938760000000, 0.822346060000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 84 coordinates: [ 0.822346060000000, 0.203938760000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 85 coordinates: [ 0.177653940000000, 0.796061240000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 86 coordinates: [ 0.322346060000000, 0.796061240000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 87 coordinates: [ 0.796061240000000, 0.322346060000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 88 coordinates: [ 0.203938760000000, 0.677653940000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 89 coordinates: [ 0.813736070000000, 0.942516130000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 90 coordinates: [ 0.557483870000000, 0.813736070000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 91 coordinates: [ 0.442516130000000, 0.186263930000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 92 coordinates: [ 0.686263930000000, 0.942516130000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 93 coordinates: [ 0.313736070000000, 0.057483870000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 94 coordinates: [ 0.686263930000000, 0.557483870000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 95 coordinates: [ 0.057483870000000, 0.186263930000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 96 coordinates: [ 0.442516130000000, 0.313736070000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 97 coordinates: [ 0.686263930000000, 0.057483870000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 98 coordinates: [ 0.942516130000000, 0.186263930000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 99 coordinates: [ 0.057483870000000, 0.813736070000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 100 coordinates: [ 0.813736070000000, 0.057483870000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 101 coordinates: [ 0.186263930000000, 0.942516130000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 102 coordinates: [ 0.813736070000000, 0.442516130000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 103 coordinates: [ 0.442516130000000, 0.813736070000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 104 coordinates: [ 0.057483870000000, 0.686263930000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 105 coordinates: [ 0.573711660000000, 0.831603500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 106 coordinates: [ 0.668396500000000, 0.573711660000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 107 coordinates: [ 0.331603500000000, 0.426288340000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 108 coordinates: [ 0.426288340000000, 0.331603500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 109 coordinates: [ 0.573711660000000, 0.668396500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 110 coordinates: [ 0.426288340000000, 0.168396500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 111 coordinates: [ 0.668396500000000, 0.926288340000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 112 coordinates: [ 0.331603500000000, 0.073711660000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 113 coordinates: [ 0.926288340000000, 0.168396500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 114 coordinates: [ 0.831603500000000, 0.426288340000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 115 coordinates: [ 0.168396500000000, 0.573711660000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 116 coordinates: [ 0.073711660000000, 0.668396500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 117 coordinates: [ 0.926288340000000, 0.331603500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 118 coordinates: [ 0.073711660000000, 0.831603500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 119 coordinates: [ 0.831603500000000, 0.073711660000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 120 coordinates: [ 0.168396500000000, 0.926288340000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 121 coordinates: [ 0.956522660000000, 0.250000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 122 coordinates: [ 0.750000000000000, 0.456522660000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 123 coordinates: [ 0.750000000000000, 0.043477340000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 124 coordinates: [ 0.543477340000000, 0.250000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 125 coordinates: [ 0.543477340000000, 0.750000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 126 coordinates: [ 0.750000000000000, 0.543477340000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 127 coordinates: [ 0.750000000000000, 0.956522660000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 128 coordinates: [ 0.956522660000000, 0.750000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 72supercell: lattice: - [ 13.387862889999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.387862889999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.537417370000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.130049590000000, 0.130049590000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.369950410000000, 0.130049590000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.630049590000000, 0.869950410000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.369950410000000, 0.369950410000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.369950410000000, 0.869950410000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.130049590000000, 0.869950410000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.869950410000000, 0.130049590000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.130049590000000, 0.630049590000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.630049590000000, 0.630049590000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 10 coordinates: [ 0.869950410000000, 0.630049590000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 11 coordinates: [ 0.130049590000000, 0.369950410000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 12 coordinates: [ 0.869950410000000, 0.869950410000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 13 coordinates: [ 0.869950410000000, 0.369950410000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 14 coordinates: [ 0.630049590000000, 0.369950410000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 15 coordinates: [ 0.369950410000000, 0.630049590000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 16 coordinates: [ 0.630049590000000, 0.130049590000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: P # 17 coordinates: [ 0.322346060000000, 0.296061240000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.203938760000000, 0.322346060000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.796061240000000, 0.677653940000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.177653940000000, 0.296061240000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.822346060000000, 0.703938760000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.677653940000000, 0.703938760000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.203938760000000, 0.177653940000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.796061240000000, 0.822346060000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.177653940000000, 0.703938760000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.296061240000000, 0.677653940000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.703938760000000, 0.322346060000000, 0.912277500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.322346060000000, 0.703938760000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.677653940000000, 0.296061240000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.822346060000000, 0.296061240000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.296061240000000, 0.822346060000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.703938760000000, 0.177653940000000, 0.837722500000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.313736070000000, 0.442516130000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.057483870000000, 0.313736070000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.942516130000000, 0.686263930000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.186263930000000, 0.442516130000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.813736070000000, 0.557483870000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.186263930000000, 0.057483870000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.557483870000000, 0.686263930000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.942516130000000, 0.813736070000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.186263930000000, 0.557483870000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.442516130000000, 0.686263930000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.557483870000000, 0.313736070000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.313736070000000, 0.557483870000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.686263930000000, 0.442516130000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.313736070000000, 0.942516130000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.942516130000000, 0.313736070000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.557483870000000, 0.186263930000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.073711660000000, 0.331603500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.168396500000000, 0.073711660000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.831603500000000, 0.926288340000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.926288340000000, 0.831603500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.073711660000000, 0.168396500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.926288340000000, 0.668396500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.168396500000000, 0.426288340000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.831603500000000, 0.573711660000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.426288340000000, 0.668396500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.331603500000000, 0.926288340000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 59 coordinates: [ 0.668396500000000, 0.073711660000000, 0.951546790000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.573711660000000, 0.168396500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 61 coordinates: [ 0.426288340000000, 0.831603500000000, 0.048453210000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.573711660000000, 0.331603500000000, 0.701546790000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 63 coordinates: [ 0.331603500000000, 0.573711660000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 64 coordinates: [ 0.668396500000000, 0.426288340000000, 0.798453210000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 65 coordinates: [ 0.456522660000000, 0.750000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.250000000000000, 0.956522660000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 67 coordinates: [ 0.250000000000000, 0.543477340000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 68 coordinates: [ 0.043477340000000, 0.750000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 69 coordinates: [ 0.043477340000000, 0.250000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.250000000000000, 0.043477340000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 71 coordinates: [ 0.250000000000000, 0.456522660000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.456522660000000, 0.250000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 72 - symbol: P # 73 coordinates: [ 0.822346060000000, 0.796061240000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 74 coordinates: [ 0.703938760000000, 0.822346060000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 75 coordinates: [ 0.296061240000000, 0.177653940000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 76 coordinates: [ 0.677653940000000, 0.796061240000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 77 coordinates: [ 0.322346060000000, 0.203938760000000, 0.662277500000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 78 coordinates: [ 0.177653940000000, 0.203938760000000, 0.587722500000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 79 coordinates: [ 0.703938760000000, 0.677653940000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 80 coordinates: [ 0.296061240000000, 0.322346060000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 81 coordinates: [ 0.677653940000000, 0.203938760000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 82 coordinates: [ 0.796061240000000, 0.177653940000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 83 coordinates: [ 0.203938760000000, 0.822346060000000, 0.412277500000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 84 coordinates: [ 0.822346060000000, 0.203938760000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 85 coordinates: [ 0.177653940000000, 0.796061240000000, 0.087722500000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 86 coordinates: [ 0.322346060000000, 0.796061240000000, 0.162277500000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 87 coordinates: [ 0.796061240000000, 0.322346060000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 88 coordinates: [ 0.203938760000000, 0.677653940000000, 0.337722500000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 89 coordinates: [ 0.813736070000000, 0.942516130000000, 0.520888050000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 90 coordinates: [ 0.557483870000000, 0.813736070000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 91 coordinates: [ 0.442516130000000, 0.186263930000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 92 coordinates: [ 0.686263930000000, 0.942516130000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 93 coordinates: [ 0.313736070000000, 0.057483870000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 94 coordinates: [ 0.686263930000000, 0.557483870000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 95 coordinates: [ 0.057483870000000, 0.186263930000000, 0.979111950000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 96 coordinates: [ 0.442516130000000, 0.313736070000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 97 coordinates: [ 0.686263930000000, 0.057483870000000, 0.229111950000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 98 coordinates: [ 0.942516130000000, 0.186263930000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 99 coordinates: [ 0.057483870000000, 0.813736070000000, 0.479111950000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 100 coordinates: [ 0.813736070000000, 0.057483870000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 101 coordinates: [ 0.186263930000000, 0.942516130000000, 0.020888050000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 102 coordinates: [ 0.813736070000000, 0.442516130000000, 0.729111950000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 103 coordinates: [ 0.442516130000000, 0.813736070000000, 0.770888050000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 104 coordinates: [ 0.057483870000000, 0.686263930000000, 0.270888050000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 105 coordinates: [ 0.573711660000000, 0.831603500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 106 coordinates: [ 0.668396500000000, 0.573711660000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 107 coordinates: [ 0.331603500000000, 0.426288340000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 108 coordinates: [ 0.426288340000000, 0.331603500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 109 coordinates: [ 0.573711660000000, 0.668396500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 110 coordinates: [ 0.426288340000000, 0.168396500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 111 coordinates: [ 0.668396500000000, 0.926288340000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 112 coordinates: [ 0.331603500000000, 0.073711660000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 113 coordinates: [ 0.926288340000000, 0.168396500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 114 coordinates: [ 0.831603500000000, 0.426288340000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 115 coordinates: [ 0.168396500000000, 0.573711660000000, 0.451546790000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 116 coordinates: [ 0.073711660000000, 0.668396500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 117 coordinates: [ 0.926288340000000, 0.331603500000000, 0.548453210000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 118 coordinates: [ 0.073711660000000, 0.831603500000000, 0.201546790000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 119 coordinates: [ 0.831603500000000, 0.073711660000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 120 coordinates: [ 0.168396500000000, 0.926288340000000, 0.298453210000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 121 coordinates: [ 0.956522660000000, 0.250000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 122 coordinates: [ 0.750000000000000, 0.456522660000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 123 coordinates: [ 0.750000000000000, 0.043477340000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 124 coordinates: [ 0.543477340000000, 0.250000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 125 coordinates: [ 0.543477340000000, 0.750000000000000, 0.875000000000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 126 coordinates: [ 0.750000000000000, 0.543477340000000, 0.625000000000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 127 coordinates: [ 0.750000000000000, 0.956522660000000, 0.125000000000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 128 coordinates: [ 0.956522660000000, 0.750000000000000, 0.375000000000000 ] mass: 30.973762 reduced_to: 72displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0184798800000000, 0.0028042400000000, 0.0024849000000000 ] - [ 0.0002417700000000, 0.0001248300000000, -0.0000514900000000 ] - [ 0.0001553800000000, 0.0000721100000000, 0.0000589400000000 ] - [ 0.0000625100000000, -0.0000651800000000, 0.0000671600000000 ] - [ 0.0000305700000000, -0.0002113800000000, 0.0000148200000000 ] - [ -0.0000481500000000, -0.0000825000000000, 0.0000268900000000 ] - [ -0.0001796400000000, 0.0000825700000000, -0.0000250400000000 ] - [ -0.0000331500000000, 0.0000372800000000, -0.0000662100000000 ] - [ 0.0001538400000000, -0.0000336700000000, -0.0000300900000000 ] - [ -0.0001222200000000, -0.0000730300000000, 0.0000181100000000 ] - [ -0.0003560000000000, -0.0001251200000000, -0.0001564900000000 ] - [ -0.0000606400000000, 0.0002542900000000, -0.0000250000000000 ] - [ -0.0002550000000000, -0.0002100700000000, 0.0000855800000000 ] - [ 0.0002751200000000, -0.0001197100000000, -0.0000853400000000 ] - [ 0.0000229300000000, 0.0001210000000000, 0.0000496500000000 ] - [ 0.0003427100000000, 0.0000379500000000, -0.0000205200000000 ] - [ 0.0000693700000000, 0.0007617400000000, -0.0004826100000000 ] - [ -0.0000473600000000, 0.0001205000000000, -0.0004288400000000 ] - [ 0.0002317300000000, -0.0000559900000000, -0.0001994200000000 ] - [ 0.0017525000000000, 0.0023267600000000, -0.0010052300000000 ] - [ 0.0001017700000000, -0.0001384600000000, 0.0002729400000000 ] - [ -0.0001452100000000, -0.0001125100000000, -0.0002878800000000 ] - [ -0.0001682800000000, 0.0000100300000000, 0.0002228700000000 ] - [ 0.0002102600000000, 0.0000914600000000, 0.0002207000000000 ] - [ -0.0000090600000000, -0.0002470500000000, 0.0001745300000000 ] - [ 0.0001517100000000, -0.0002085800000000, 0.0003404500000000 ] - [ -0.0002021300000000, 0.0002773900000000, 0.0000009200000000 ] - [ 0.0000474600000000, -0.0001740900000000, -0.0002319000000000 ] - [ -0.0002077800000000, 0.0002378800000000, -0.0000774200000000 ] - [ -0.0000729800000000, 0.0002307800000000, 0.0004275400000000 ] - [ -0.0002397100000000, 0.0002731900000000, 0.0000661700000000 ] - [ -0.0001484500000000, -0.0001754200000000, -0.0001465000000000 ] - [ 0.0001241500000000, 0.0002012900000000, -0.0002361200000000 ] - [ -0.0000069200000000, -0.0001304600000000, -0.0000048700000000 ] - [ 0.0000877400000000, 0.0001314900000000, -0.0000806400000000 ] - [ 0.0001365900000000, -0.0001221300000000, 0.0004478300000000 ] - [ -0.0001404800000000, -0.0000804300000000, -0.0000062800000000 ] - [ -0.0000687000000000, -0.0001306900000000, -0.0001006800000000 ] - [ -0.0001081800000000, 0.0001399100000000, 0.0000928500000000 ] - [ 0.0000545800000000, -0.0001521200000000, 0.0000544600000000 ] - [ 0.0001375900000000, -0.0000757500000000, 0.0000625400000000 ] - [ 0.0000786100000000, 0.0002149700000000, -0.0000221900000000 ] - [ -0.0000761000000000, -0.0003344300000000, -0.0000082200000000 ] - [ -0.0002290900000000, -0.0000477600000000, -0.0000237900000000 ] - [ 0.0004063600000000, 0.0000146800000000, 0.0000667600000000 ] - [ 0.0003971900000000, -0.0008854300000000, -0.0001434500000000 ] - [ 0.0006014200000000, -0.0018059200000000, 0.0000829100000000 ] - [ -0.0000511000000000, 0.0002923200000000, 0.0000052900000000 ] - [ -0.0007664600000000, -0.0011701100000000, 0.0001229900000000 ] - [ 0.0003513600000000, 0.0000257900000000, 0.0000655000000000 ] - [ -0.0003568800000000, 0.0001007300000000, 0.0000752300000000 ] - [ 0.0000191300000000, -0.0003172600000000, -0.0000966500000000 ] - [ -0.0000974100000000, 0.0003660300000000, -0.0000526800000000 ] - [ -0.0000003100000000, 0.0003201800000000, 0.0000907700000000 ] - [ 0.0005277600000000, -0.0001647900000000, 0.0002128900000000 ] - [ -0.0003596000000000, -0.0001150600000000, -0.0000688400000000 ] - [ -0.0000285600000000, 0.0005042100000000, 0.0000175700000000 ] - [ 0.0003132600000000, 0.0001323400000000, -0.0001062800000000 ] - [ 0.0001865500000000, -0.0001676700000000, 0.0000252400000000 ] - [ -0.0004997700000000, 0.0001120100000000, 0.0004027300000000 ] - [ 0.0001216300000000, -0.0005076500000000, 0.0000639400000000 ] - [ -0.0000465800000000, -0.0002856200000000, -0.0001000100000000 ] - [ -0.0003505000000000, -0.0000760100000000, 0.0000768300000000 ] - [ 0.0001511100000000, 0.0000938100000000, 0.0002548100000000 ] - [ 0.0000772500000000, 0.0000027900000000, 0.0000041300000000 ] - [ 0.0001919900000000, 0.0002406400000000, -0.0001847100000000 ] - [ -0.0001086400000000, -0.0003900000000000, -0.0000392700000000 ] - [ -0.0000860500000000, 0.0000081900000000, 0.0000125100000000 ] - [ 0.0016053500000000, -0.0009535100000000, -0.0017368600000000 ] - [ 0.0053279800000000, -0.0024051800000000, -0.0027515100000000 ] - [ 0.0000818300000000, 0.0001292800000000, -0.0000161700000000 ] - [ 0.0000247200000000, 0.0001146100000000, -0.0001354600000000 ] - [ 0.0000963800000000, 0.0001491800000000, -0.0002366600000000 ] - [ -0.0002079700000000, 0.0000790000000000, -0.0002295500000000 ] - [ 0.0083397800000000, 0.0022878300000000, 0.0042701200000000 ] - [ -0.0001380600000000, 0.0001236800000000, 0.0002759200000000 ] - [ -0.0001164600000000, -0.0001950100000000, 0.0002970000000000 ] - [ -0.0000526600000000, -0.0000465100000000, -0.0003192500000000 ] - [ -0.0002456800000000, -0.0000456000000000, 0.0002044200000000 ] - [ -0.0006566700000000, 0.0011743100000000, 0.0005290900000000 ] - [ -0.0002439600000000, -0.0003843500000000, -0.0009434600000000 ] - [ 0.0000388600000000, -0.0001838500000000, 0.0004956400000000 ] - [ -0.0000089200000000, 0.0003084700000000, 0.0000473600000000 ] - [ -0.0009798900000000, 0.0004234100000000, 0.0014142100000000 ] - [ 0.0000984200000000, 0.0004510500000000, 0.0001622700000000 ] - [ 0.0004585500000000, 0.0001664900000000, -0.0000913200000000 ] - [ 0.0007827800000000, 0.0002063100000000, 0.0000094400000000 ] - [ -0.0000998500000000, -0.0001296800000000, -0.0002127400000000 ] - [ -0.0001316300000000, 0.0001072600000000, -0.0000306200000000 ] - [ -0.0000689700000000, -0.0001707100000000, -0.0000587900000000 ] - [ 0.0004891700000000, 0.0001211100000000, -0.0008975100000000 ] - [ 0.0001773900000000, 0.0000592900000000, -0.0000163300000000 ] - [ -0.0000655200000000, -0.0001581800000000, 0.0001697500000000 ] - [ 0.0001841100000000, -0.0000734600000000, 0.0000525500000000 ] - [ -0.0002140100000000, -0.0000189600000000, 0.0000578600000000 ] - [ -0.0007533500000000, -0.0002940500000000, -0.0006266500000000 ] - [ -0.0000335300000000, 0.0000205700000000, 0.0000652500000000 ] - [ 0.0003811600000000, 0.0004026300000000, -0.0004196700000000 ] - [ -0.0001735500000000, -0.0001324500000000, 0.0000114200000000 ] - [ -0.0002331000000000, 0.0003259300000000, 0.0002858700000000 ] - [ -0.0013904600000000, 0.0001443600000000, -0.0000725200000000 ] - [ -0.0003977200000000, -0.0000950100000000, -0.0001573700000000 ] - [ 0.0002866300000000, -0.0000410100000000, 0.0000485500000000 ] - [ 0.0000190800000000, 0.0003694900000000, 0.0000419200000000 ] - [ -0.0000038500000000, -0.0003212500000000, 0.0000840000000000 ] - [ 0.0003573500000000, -0.0001064100000000, 0.0000513300000000 ] - [ -0.0002836700000000, 0.0000542300000000, 0.0000058800000000 ] - [ 0.0000428000000000, -0.0003437000000000, -0.0001648000000000 ] - [ -0.0000147900000000, 0.0003105400000000, -0.0000930900000000 ] - [ -0.0002582900000000, 0.0001822300000000, -0.0001548400000000 ] - [ 0.0003552700000000, 0.0001202000000000, -0.0000719200000000 ] - [ -0.0006619400000000, -0.0011649900000000, 0.0007296400000000 ] - [ 0.0048469300000000, -0.0011994800000000, -0.0013603200000000 ] - [ -0.0004907700000000, -0.0000816500000000, -0.0002069700000000 ] - [ 0.0004033700000000, -0.0000193100000000, -0.0001377900000000 ] - [ -0.0000846800000000, 0.0004195800000000, 0.0000328100000000 ] - [ 0.0003307000000000, -0.0005207000000000, -0.0003232800000000 ] - [ -0.0004866900000000, -0.0001546600000000, 0.0000158500000000 ] - [ -0.0000453300000000, 0.0004682300000000, -0.0004193800000000 ] - [ 0.0007533400000000, -0.0010690400000000, 0.0005633700000000 ] - [ 0.0002203300000000, 0.0001493100000000, 0.0000851400000000 ] - [ -0.0000169900000000, 0.0001113300000000, -0.0000174500000000 ] - [ -0.0000255700000000, -0.0000919500000000, 0.0000196700000000 ] - [ -0.0005934600000000, -0.0004392900000000, -0.0003553200000000 ] - [ -0.0001114200000000, 0.0000030700000000, -0.0000087500000000 ] - [ -0.0000180700000000, 0.0000637600000000, 0.0001456600000000 ] - [ -0.0001890100000000, 0.0000349100000000, -0.0000596500000000 ] - [ 0.0001372700000000, -0.0000150500000000, -0.0000212900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0183246200000000, -0.0027963100000000, -0.0025979100000000 ] - [ -0.0003444400000000, -0.0000232100000000, 0.0000517600000000 ] - [ -0.0000521200000000, -0.0001762400000000, -0.0000592100000000 ] - [ -0.0001659000000000, -0.0000379900000000, -0.0000674000000000 ] - [ -0.0001338900000000, 0.0001072400000000, -0.0000146800000000 ] - [ 0.0001520700000000, -0.0000206000000000, -0.0000269500000000 ] - [ 0.0000771600000000, 0.0000206300000000, 0.0000248900000000 ] - [ 0.0001386400000000, 0.0000660700000000, 0.0000661000000000 ] - [ -0.0000498800000000, 0.0001381300000000, 0.0000303200000000 ] - [ 0.0000207000000000, 0.0001757000000000, -0.0000183500000000 ] - [ 0.0004603100000000, 0.0000230000000000, 0.0001566800000000 ] - [ -0.0000418900000000, -0.0003592300000000, 0.0000251200000000 ] - [ 0.0001534600000000, 0.0001079700000000, -0.0000860300000000 ] - [ -0.0001730900000000, 0.0000177800000000, 0.0000863400000000 ] - [ -0.0001265100000000, -0.0000170400000000, -0.0000501100000000 ] - [ -0.0002390500000000, 0.0000657300000000, 0.0000204600000000 ] - [ 0.0001430300000000, -0.0004025500000000, 0.0000388200000000 ] - [ -0.0003049300000000, 0.0000921900000000, -0.0000103600000000 ] - [ 0.0001209300000000, -0.0001574500000000, -0.0002404000000000 ] - [ -0.0019738400000000, -0.0019956000000000, 0.0014661800000000 ] - [ 0.0001119900000000, -0.0002139100000000, 0.0001668200000000 ] - [ -0.0000667000000000, -0.0002405200000000, -0.0001514100000000 ] - [ -0.0001835700000000, -0.0002239700000000, 0.0002163300000000 ] - [ 0.0001422200000000, 0.0001214400000000, 0.0002193200000000 ] - [ -0.0002038500000000, -0.0001049900000000, 0.0002650100000000 ] - [ 0.0002010300000000, -0.0000038500000000, 0.0000988400000000 ] - [ -0.0001500200000000, -0.0000660200000000, 0.0004397300000000 ] - [ 0.0001665600000000, -0.0001780400000000, -0.0002076600000000 ] - [ -0.0000023300000000, 0.0001137300000000, -0.0003621900000000 ] - [ 0.0002853500000000, 0.0001250300000000, 0.0000141400000000 ] - [ 0.0005918000000000, -0.0000627000000000, -0.0005070600000000 ] - [ -0.0002025700000000, -0.0000380600000000, -0.0002938700000000 ] - [ -0.0004635300000000, -0.0000484900000000, 0.0001924800000000 ] - [ -0.0001409100000000, -0.0002089300000000, -0.0000354900000000 ] - [ 0.0000611900000000, 0.0002079500000000, 0.0000411200000000 ] - [ 0.0002037400000000, 0.0002700800000000, -0.0004119200000000 ] - [ -0.0001976400000000, -0.0000687900000000, 0.0000472600000000 ] - [ 0.0004071800000000, -0.0000185000000000, 0.0000602900000000 ] - [ -0.0000400300000000, 0.0001996300000000, -0.0000535200000000 ] - [ 0.0000949300000000, -0.0001870700000000, -0.0000145300000000 ] - [ 0.0002026600000000, -0.0000726400000000, -0.0000224600000000 ] - [ 0.0000707100000000, 0.0001246200000000, 0.0000629700000000 ] - [ -0.0000724500000000, -0.0000038900000000, 0.0000477100000000 ] - [ -0.0001107200000000, -0.0001007300000000, -0.0000162600000000 ] - [ -0.0000680700000000, 0.0001343400000000, -0.0001069100000000 ] - [ -0.0007329300000000, 0.0010346500000000, 0.0001715000000000 ] - [ -0.0004527500000000, 0.0014804400000000, -0.0001182600000000 ] - [ -0.0000979900000000, 0.0000470000000000, -0.0000456700000000 ] - [ 0.0006347400000000, 0.0004961200000000, 0.0000373800000000 ] - [ 0.0003186600000000, -0.0001599400000000, 0.0000897400000000 ] - [ -0.0003117200000000, 0.0000329400000000, 0.0000806500000000 ] - [ 0.0001159200000000, -0.0003520000000000, -0.0000591800000000 ] - [ -0.0000355500000000, 0.0003023500000000, -0.0001037000000000 ] - [ 0.0001353400000000, 0.0003489800000000, 0.0000649700000000 ] - [ 0.0001462300000000, 0.0003010900000000, -0.0003687200000000 ] - [ -0.0003090100000000, -0.0000185600000000, -0.0000868500000000 ] - [ 0.0001629200000000, 0.0001644900000000, -0.0001737500000000 ] - [ -0.0009799000000000, 0.0000052600000000, -0.0000465900000000 ] - [ 0.0004844300000000, 0.0000345100000000, -0.0001817800000000 ] - [ 0.0003677300000000, 0.0005582500000000, -0.0002495300000000 ] - [ 0.0000117000000000, -0.0001605000000000, 0.0000929800000000 ] - [ -0.0000879400000000, -0.0003826700000000, -0.0000548300000000 ] - [ -0.0003180000000000, -0.0000582800000000, 0.0000793900000000 ] - [ 0.0005180000000000, 0.0000409800000000, -0.0000990200000000 ] - [ 0.0001176900000000, -0.0000026200000000, -0.0000043900000000 ] - [ -0.0001909100000000, -0.0000456400000000, 0.0001845600000000 ] - [ 0.0001102200000000, 0.0001971200000000, 0.0000371400000000 ] - [ -0.0001072400000000, -0.0000081100000000, -0.0000121900000000 ] - [ -0.0017917800000000, 0.0009760400000000, 0.0017828300000000 ] - [ -0.0052477800000000, 0.0021423200000000, 0.0026662300000000 ] - [ -0.0000810800000000, 0.0000644400000000, 0.0000158400000000 ] - [ 0.0001707500000000, -0.0001157000000000, 0.0001366400000000 ] - [ 0.0001173400000000, 0.0002029700000000, -0.0002030400000000 ] - [ -0.0001434200000000, 0.0001340600000000, -0.0002101600000000 ] - [ -0.0077177200000000, -0.0024162800000000, -0.0045559300000000 ] - [ -0.0000743500000000, 0.0002285400000000, 0.0001635100000000 ] - [ 0.0003300800000000, -0.0001572600000000, 0.0001436900000000 ] - [ -0.0001601700000000, -0.0003061200000000, -0.0001200400000000 ] - [ -0.0001052500000000, -0.0001679600000000, 0.0002356100000000 ] - [ 0.0010075900000000, -0.0009588000000000, -0.0000899900000000 ] - [ 0.0000301500000000, 0.0000333000000000, 0.0013938400000000 ] - [ 0.0003166200000000, -0.0000298300000000, -0.0000553100000000 ] - [ -0.0003393800000000, -0.0000991000000000, 0.0003861200000000 ] - [ 0.0012111500000000, -0.0007829500000000, -0.0018579700000000 ] - [ -0.0003089600000000, -0.0000960500000000, -0.0006022300000000 ] - [ -0.0002422800000000, 0.0001805900000000, 0.0005308700000000 ] - [ -0.0004352600000000, 0.0000058700000000, -0.0004527000000000 ] - [ -0.0002519400000000, -0.0000833900000000, -0.0002235100000000 ] - [ -0.0002069100000000, 0.0000418000000000, -0.0000095200000000 ] - [ -0.0000798100000000, -0.0001683700000000, 0.0000191300000000 ] - [ -0.0003280400000000, 0.0002218300000000, 0.0008716400000000 ] - [ 0.0001626300000000, 0.0000898100000000, 0.0000563600000000 ] - [ -0.0002726200000000, 0.0000095100000000, -0.0001288000000000 ] - [ 0.0001551600000000, -0.0000757700000000, -0.0000935000000000 ] - [ 0.0000657800000000, 0.0003592600000000, -0.0000172800000000 ] - [ 0.0009030300000000, -0.0000487600000000, 0.0006642400000000 ] - [ 0.0003727300000000, -0.0001699100000000, -0.0000268500000000 ] - [ -0.0002333200000000, -0.0000531400000000, 0.0004618000000000 ] - [ 0.0000265100000000, -0.0002063000000000, 0.0000277900000000 ] - [ -0.0001062300000000, -0.0004776000000000, -0.0003289000000000 ] - [ 0.0017240900000000, 0.0000093300000000, 0.0000362400000000 ] - [ 0.0000597100000000, 0.0002415800000000, 0.0001985500000000 ] - [ -0.0001374600000000, -0.0002978800000000, -0.0000883100000000 ] - [ -0.0001675500000000, -0.0000308000000000, -0.0000826100000000 ] - [ -0.0001303200000000, -0.0003480000000000, 0.0000717400000000 ] - [ 0.0003121300000000, -0.0000275900000000, 0.0001048900000000 ] - [ -0.0003849000000000, 0.0000789800000000, 0.0001490100000000 ] - [ 0.0000902900000000, -0.0003274700000000, 0.0000097400000000 ] - [ -0.0001189100000000, 0.0003586800000000, -0.0000623900000000 ] - [ 0.0003927600000000, 0.0004881200000000, 0.0003107400000000 ] - [ 0.0003141500000000, 0.0000138500000000, -0.0000839500000000 ] - [ -0.0000054400000000, 0.0010292600000000, -0.0008853200000000 ] - [ -0.0048998900000000, 0.0019112100000000, 0.0011664500000000 ] - [ -0.0001751400000000, 0.0002154100000000, 0.0000514200000000 ] - [ 0.0002651800000000, -0.0001166400000000, -0.0000192500000000 ] - [ -0.0000486100000000, 0.0002490000000000, 0.0001228200000000 ] - [ -0.0001964800000000, -0.0001529800000000, 0.0004785700000000 ] - [ 0.0003534600000000, -0.0005127300000000, -0.0001715400000000 ] - [ -0.0006284100000000, -0.0006004400000000, 0.0005811000000000 ] - [ -0.0000945500000000, 0.0012161200000000, -0.0003967500000000 ] - [ -0.0000252000000000, -0.0001489500000000, -0.0000851100000000 ] - [ 0.0000171900000000, 0.0000821500000000, 0.0000178300000000 ] - [ 0.0000264300000000, -0.0001023300000000, -0.0000196800000000 ] - [ 0.0004068500000000, 0.0004426900000000, 0.0003551700000000 ] - [ -0.0000807500000000, -0.0000027300000000, 0.0000084600000000 ] - [ 0.0000186600000000, -0.0002590900000000, -0.0001466100000000 ] - [ 0.0001907500000000, 0.0001594200000000, 0.0000595600000000 ] - [ 0.0000567500000000, 0.0000150200000000, 0.0000209500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0025198900000000, -0.0025677700000000, -0.0137211100000000 ] - [ -0.0001024600000000, -0.0001054700000000, 0.0001328500000000 ] - [ -0.0000071600000000, -0.0000701800000000, 0.0000048900000000 ] - [ -0.0001190000000000, 0.0000156700000000, 0.0000788400000000 ] - [ -0.0000370900000000, -0.0001382000000000, 0.0000185900000000 ] - [ 0.0000785700000000, -0.0000769700000000, 0.0000658800000000 ] - [ -0.0000273900000000, 0.0000250000000000, 0.0000655600000000 ] - [ 0.0001182200000000, 0.0000313800000000, 0.0000751400000000 ] - [ 0.0000215200000000, 0.0000820100000000, 0.0000272800000000 ] - [ -0.0000336400000000, 0.0001107400000000, 0.0000048600000000 ] - [ 0.0002079100000000, 0.0000006300000000, 0.0001332900000000 ] - [ -0.0000269900000000, -0.0000768900000000, -0.0000547900000000 ] - [ 0.0000336900000000, -0.0000667300000000, 0.0000186800000000 ] - [ -0.0000341900000000, -0.0000019600000000, -0.0001838300000000 ] - [ -0.0001018600000000, 0.0001376600000000, -0.0001831300000000 ] - [ 0.0000724400000000, -0.0000143900000000, 0.0000758300000000 ] - [ -0.0003356500000000, 0.0001285000000000, -0.0000025700000000 ] - [ -0.0001679800000000, 0.0001457300000000, -0.0003241500000000 ] - [ 0.0001261500000000, -0.0001092800000000, -0.0002338900000000 ] - [ -0.0015653900000000, -0.0041885300000000, 0.0042104700000000 ] - [ 0.0001014100000000, -0.0001919800000000, 0.0002135400000000 ] - [ -0.0001032300000000, -0.0001989800000000, -0.0001936400000000 ] - [ -0.0003359700000000, -0.0001062500000000, 0.0001745900000000 ] - [ 0.0001523800000000, 0.0000948600000000, 0.0002160400000000 ] - [ -0.0001907300000000, -0.0002050200000000, 0.0001474600000000 ] - [ 0.0002008200000000, -0.0000136800000000, -0.0000548300000000 ] - [ -0.0002205400000000, 0.0000545200000000, 0.0002141900000000 ] - [ 0.0001566300000000, -0.0001324200000000, -0.0002248000000000 ] - [ -0.0001962900000000, 0.0001515900000000, -0.0004942600000000 ] - [ 0.0004717100000000, -0.0000133400000000, -0.0001504400000000 ] - [ 0.0003699300000000, -0.0002625100000000, -0.0005926800000000 ] - [ -0.0001476000000000, -0.0000208100000000, -0.0002919600000000 ] - [ -0.0001872600000000, 0.0003992600000000, -0.0000820000000000 ] - [ -0.0000995500000000, -0.0000553900000000, -0.0000959800000000 ] - [ 0.0000827300000000, 0.0001627100000000, 0.0000126700000000 ] - [ 0.0004402100000000, 0.0003258000000000, -0.0014117000000000 ] - [ -0.0001938700000000, -0.0000534800000000, 0.0000124100000000 ] - [ 0.0003934200000000, 0.0001454300000000, 0.0002389700000000 ] - [ -0.0000608900000000, 0.0001929400000000, 0.0000068900000000 ] - [ 0.0001020300000000, -0.0001210400000000, 0.0000219600000000 ] - [ 0.0001391400000000, -0.0000647600000000, 0.0000609800000000 ] - [ 0.0000546500000000, 0.0000947400000000, 0.0000894000000000 ] - [ -0.0001031500000000, -0.0001493700000000, 0.0000105600000000 ] - [ -0.0001926000000000, -0.0000466200000000, -0.0000278400000000 ] - [ 0.0002472000000000, 0.0000946900000000, 0.0000509500000000 ] - [ -0.0000248400000000, 0.0005688400000000, -0.0016614000000000 ] - [ -0.0004055900000000, -0.0003270100000000, -0.0017022300000000 ] - [ -0.0000848700000000, 0.0002027300000000, 0.0000227200000000 ] - [ 0.0002007400000000, -0.0007891400000000, 0.0007211100000000 ] - [ 0.0003298800000000, 0.0000011400000000, 0.0002217700000000 ] - [ -0.0003141100000000, 0.0000464000000000, 0.0001106100000000 ] - [ 0.0000879300000000, -0.0003553800000000, -0.0000439600000000 ] - [ -0.0001360100000000, 0.0003390000000000, 0.0000673800000000 ] - [ 0.0000925400000000, 0.0003276100000000, 0.0000415100000000 ] - [ 0.0005089200000000, 0.0001441900000000, -0.0000974000000000 ] - [ -0.0003243100000000, -0.0000442700000000, -0.0000758300000000 ] - [ 0.0001609200000000, 0.0002464500000000, -0.0000842400000000 ] - [ -0.0007374400000000, 0.0005112600000000, 0.0004820300000000 ] - [ 0.0004015700000000, -0.0000564400000000, 0.0000642300000000 ] - [ -0.0002993200000000, 0.0002812400000000, 0.0001991000000000 ] - [ -0.0000528100000000, 0.0000369000000000, 0.0002257400000000 ] - [ -0.0000826200000000, -0.0003778400000000, 0.0000071000000000 ] - [ -0.0002905600000000, -0.0000523300000000, 0.0001609200000000 ] - [ 0.0004211800000000, -0.0000263100000000, 0.0000709300000000 ] - [ 0.0000843600000000, 0.0000134900000000, 0.0000171900000000 ] - [ 0.0000308900000000, -0.0001658500000000, -0.0001484900000000 ] - [ 0.0003573500000000, 0.0004655000000000, 0.0000576800000000 ] - [ -0.0001029100000000, 0.0000097600000000, -0.0000174300000000 ] - [ -0.0023174400000000, 0.0026919200000000, 0.0041306100000000 ] - [ -0.0025760200000000, 0.0020271300000000, 0.0040131500000000 ] - [ -0.0000455200000000, 0.0000239600000000, -0.0000643100000000 ] - [ 0.0001681300000000, 0.0000454000000000, -0.0000642300000000 ] - [ 0.0001158800000000, 0.0002002300000000, -0.0002235900000000 ] - [ -0.0001607300000000, 0.0001093900000000, -0.0002261400000000 ] - [ 0.0046141900000000, 0.0013813300000000, 0.0037941400000000 ] - [ -0.0001015800000000, 0.0002267600000000, 0.0002056200000000 ] - [ 0.0000651600000000, -0.0001851100000000, 0.0001133000000000 ] - [ -0.0001052000000000, -0.0000145100000000, -0.0002650900000000 ] - [ -0.0001539400000000, -0.0001074300000000, 0.0002458900000000 ] - [ 0.0002305400000000, 0.0005445100000000, 0.0004405000000000 ] - [ -0.0001793100000000, -0.0002870600000000, -0.0000095500000000 ] - [ 0.0000534200000000, -0.0000380600000000, 0.0002096600000000 ] - [ -0.0003802200000000, 0.0000985900000000, 0.0010992000000000 ] - [ 0.0001088900000000, 0.0000287200000000, 0.0006662500000000 ] - [ -0.0001731300000000, 0.0003019500000000, -0.0002284500000000 ] - [ 0.0002200000000000, -0.0004478800000000, 0.0009340000000000 ] - [ 0.0008021300000000, -0.0000111600000000, 0.0004973500000000 ] - [ -0.0000651700000000, -0.0000315500000000, -0.0004465700000000 ] - [ -0.0002205800000000, 0.0000478100000000, -0.0000164400000000 ] - [ -0.0000963300000000, -0.0001473700000000, -0.0000260300000000 ] - [ -0.0001793500000000, -0.0001012900000000, -0.0014548300000000 ] - [ 0.0001787100000000, 0.0000669000000000, 0.0000509800000000 ] - [ -0.0002878100000000, -0.0000496900000000, -0.0000590300000000 ] - [ 0.0001485300000000, -0.0000891100000000, -0.0000318500000000 ] - [ -0.0002887700000000, -0.0000502700000000, 0.0002780300000000 ] - [ -0.0002464100000000, -0.0001532100000000, -0.0000404400000000 ] - [ -0.0001748400000000, -0.0001802800000000, 0.0000030800000000 ] - [ -0.0000352000000000, -0.0001788800000000, 0.0005586000000000 ] - [ -0.0000309700000000, -0.0002624700000000, 0.0000766800000000 ] - [ -0.0000797300000000, -0.0001174200000000, 0.0000393000000000 ] - [ 0.0005357100000000, 0.0001876400000000, 0.0005156500000000 ] - [ -0.0001018400000000, 0.0002514300000000, -0.0000087600000000 ] - [ -0.0001034900000000, -0.0002404900000000, -0.0000477000000000 ] - [ 0.0000307400000000, 0.0005166100000000, -0.0000350400000000 ] - [ -0.0000900400000000, -0.0003451200000000, 0.0000785900000000 ] - [ 0.0003542700000000, -0.0000235000000000, 0.0000590000000000 ] - [ -0.0004480200000000, 0.0001878900000000, -0.0000601800000000 ] - [ -0.0000544900000000, -0.0002217900000000, -0.0002151400000000 ] - [ -0.0001109100000000, 0.0003150400000000, -0.0000957500000000 ] - [ -0.0000075800000000, 0.0001613700000000, 0.0000593200000000 ] - [ 0.0003416100000000, 0.0000417600000000, -0.0001131500000000 ] - [ 0.0001303300000000, -0.0003299900000000, 0.0005698200000000 ] - [ 0.0007534300000000, -0.0002055900000000, -0.0010219400000000 ] - [ -0.0007052500000000, 0.0001873200000000, 0.0000722000000000 ] - [ 0.0003866500000000, 0.0001633300000000, 0.0000447300000000 ] - [ -0.0000775900000000, 0.0002671000000000, 0.0002186500000000 ] - [ -0.0003790300000000, 0.0000639900000000, 0.0006390600000000 ] - [ -0.0004951200000000, -0.0000709000000000, -0.0004238400000000 ] - [ -0.0005966800000000, 0.0003602700000000, -0.0002698600000000 ] - [ 0.0008728200000000, -0.0006148500000000, -0.0008551900000000 ] - [ 0.0003531000000000, -0.0000312000000000, -0.0001487800000000 ] - [ -0.0000135000000000, 0.0001074400000000, 0.0000174900000000 ] - [ -0.0000097100000000, -0.0000891700000000, -0.0000176500000000 ] - [ -0.0006587900000000, -0.0003570000000000, 0.0000604100000000 ] - [ -0.0001069100000000, -0.0000386800000000, 0.0000010000000000 ] - [ 0.0000388800000000, -0.0000851500000000, 0.0000005600000000 ] - [ -0.0000092700000000, 0.0001494200000000, 0.0000392800000000 ] - [ 0.0000423100000000, 0.0000092100000000, 0.0000392000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000115400000000, 0.0011099600000000, -0.0004390800000000 ] - [ 0.0018015600000000, -0.0023136800000000, -0.0014722100000000 ] - [ 0.0000457600000000, -0.0000240800000000, 0.0000042300000000 ] - [ 0.0000020500000000, 0.0000665100000000, -0.0000013600000000 ] - [ 0.0000455000000000, -0.0001210900000000, -0.0000848700000000 ] - [ -0.0000080800000000, -0.0002219000000000, 0.0000518600000000 ] - [ -0.0001538800000000, 0.0001533100000000, 0.0000905500000000 ] - [ 0.0004017000000000, 0.0001508600000000, -0.0001170600000000 ] - [ 0.0000407700000000, 0.0000365100000000, 0.0000104900000000 ] - [ -0.0000829000000000, 0.0000008600000000, 0.0000037300000000 ] - [ -0.0001719900000000, -0.0000649000000000, 0.0000408800000000 ] - [ -0.0000900700000000, 0.0000098300000000, -0.0000019100000000 ] - [ -0.0001894000000000, -0.0000744500000000, -0.0000760800000000 ] - [ -0.0010481800000000, -0.0002546500000000, 0.0000079700000000 ] - [ 0.0001521800000000, 0.0001295900000000, 0.0000692500000000 ] - [ -0.0001269500000000, 0.0002177600000000, -0.0003649000000000 ] - [ -0.1178118500000000, 0.0011851000000000, -0.0057149100000000 ] - [ -0.0001993200000000, 0.0001538700000000, -0.0008854700000000 ] - [ 0.0001651300000000, -0.0000437300000000, -0.0002135500000000 ] - [ 0.0488898300000000, -0.0027477400000000, -0.0273706600000000 ] - [ 0.0000329900000000, -0.0001879400000000, 0.0002543400000000 ] - [ -0.0000844000000000, -0.0001289300000000, -0.0002826400000000 ] - [ -0.0007013800000000, 0.0018718300000000, 0.0018103200000000 ] - [ 0.0001209300000000, 0.0000147200000000, 0.0001900000000000 ] - [ -0.0001196000000000, -0.0001526900000000, 0.0000985400000000 ] - [ 0.0000924500000000, -0.0000783200000000, 0.0003595100000000 ] - [ -0.0000890300000000, 0.0000765300000000, 0.0000815900000000 ] - [ -0.0000076500000000, -0.0001276000000000, -0.0002452600000000 ] - [ -0.0001684800000000, 0.0002144600000000, -0.0003900700000000 ] - [ 0.0001875700000000, 0.0001912800000000, 0.0003263300000000 ] - [ 0.0002813600000000, -0.0001979700000000, -0.0000990600000000 ] - [ 0.0003675700000000, -0.0002569300000000, -0.0004201000000000 ] - [ 0.0057368000000000, 0.0066688900000000, -0.0016970000000000 ] - [ -0.0003661400000000, -0.0002324100000000, -0.0001289700000000 ] - [ 0.0000401500000000, 0.0001635200000000, -0.0000365600000000 ] - [ 0.0026664800000000, -0.0107128000000000, -0.0070697500000000 ] - [ -0.0001658300000000, -0.0000744800000000, 0.0000606700000000 ] - [ -0.0000697200000000, 0.0001239700000000, -0.0000719100000000 ] - [ -0.0000690600000000, 0.0001268000000000, 0.0000437600000000 ] - [ 0.0000996800000000, -0.0001155600000000, 0.0000395400000000 ] - [ 0.0002096900000000, -0.0001485000000000, 0.0000758600000000 ] - [ 0.0001551600000000, 0.0001657100000000, 0.0002461200000000 ] - [ 0.0003501200000000, -0.0001911600000000, -0.0004233400000000 ] - [ -0.0000214800000000, -0.0001449400000000, -0.0000196700000000 ] - [ 0.0002268700000000, 0.0000253400000000, -0.0000425400000000 ] - [ -0.0001041100000000, 0.0001938600000000, -0.0000919400000000 ] - [ -0.0000111400000000, 0.0001302100000000, -0.0000666100000000 ] - [ -0.0003460500000000, 0.0006301900000000, 0.0000001900000000 ] - [ 0.0077229700000000, -0.0018096300000000, 0.0044237600000000 ] - [ 0.0011726000000000, -0.0006844600000000, 0.0004953700000000 ] - [ -0.0003717800000000, 0.0001028600000000, 0.0000672300000000 ] - [ 0.0000497800000000, -0.0003111700000000, -0.0001114400000000 ] - [ -0.0003679700000000, 0.0009131300000000, 0.0005404700000000 ] - [ 0.0000676800000000, 0.0003301400000000, 0.0000576400000000 ] - [ 0.0066567300000000, -0.0052819400000000, 0.0046087800000000 ] - [ -0.0003269900000000, -0.0000935300000000, -0.0000843900000000 ] - [ -0.0001090100000000, 0.0002749300000000, 0.0000795000000000 ] - [ -0.0003012100000000, 0.0001333300000000, 0.0000185400000000 ] - [ 0.0003281000000000, 0.0001822700000000, 0.0004394200000000 ] - [ 0.0006270800000000, -0.0009544200000000, -0.0000436400000000 ] - [ 0.0000610100000000, -0.0001820100000000, -0.0001462000000000 ] - [ -0.0000179600000000, -0.0003363900000000, -0.0001651500000000 ] - [ -0.0001285700000000, -0.0001698700000000, -0.0000614700000000 ] - [ 0.0002117300000000, 0.0001801700000000, 0.0000527200000000 ] - [ 0.0000830300000000, -0.0000026000000000, -0.0000080200000000 ] - [ -0.0004441300000000, 0.0005170200000000, -0.0000159100000000 ] - [ 0.0033152100000000, -0.0023669600000000, -0.0025268200000000 ] - [ -0.0000504200000000, -0.0000896900000000, 0.0000140400000000 ] - [ 0.0001248300000000, -0.0000356800000000, -0.0002151100000000 ] - [ 0.0000278600000000, 0.0008013100000000, -0.0001031700000000 ] - [ -0.0000291600000000, 0.0001171300000000, -0.0000129700000000 ] - [ 0.0003240300000000, -0.0006476100000000, -0.0006530900000000 ] - [ 0.0000825100000000, 0.0002028800000000, -0.0001999700000000 ] - [ -0.0001782200000000, 0.0000434800000000, -0.0001639500000000 ] - [ -0.0008073600000000, -0.0001428800000000, -0.0014010400000000 ] - [ -0.0001370000000000, 0.0001367300000000, 0.0002596300000000 ] - [ -0.0003978000000000, -0.0006023100000000, 0.0003887600000000 ] - [ 0.0006033100000000, -0.0001714400000000, -0.0004031600000000 ] - [ -0.0001833100000000, -0.0000648400000000, 0.0001750300000000 ] - [ 0.0008179400000000, 0.0000808400000000, -0.0003295100000000 ] - [ 0.0000867300000000, -0.0003658800000000, -0.0000613100000000 ] - [ -0.0002968500000000, -0.0002742100000000, 0.0005074600000000 ] - [ -0.0000830200000000, 0.0002745400000000, 0.0002331600000000 ] - [ 0.0000361300000000, -0.0004392300000000, -0.0000896500000000 ] - [ 0.0000979800000000, 0.0002229300000000, 0.0000929500000000 ] - [ 0.0000163900000000, 0.0000328400000000, 0.0001542600000000 ] - [ 0.0003164100000000, -0.0001992600000000, -0.0000001800000000 ] - [ -0.0002990600000000, -0.0002563100000000, -0.0002956800000000 ] - [ -0.0001765900000000, 0.0000965600000000, -0.0000361100000000 ] - [ -0.0000986100000000, -0.0001366500000000, -0.0000590700000000 ] - [ 0.0024049100000000, -0.0014135000000000, 0.0007794100000000 ] - [ 0.0002254500000000, 0.0001134000000000, 0.0000066800000000 ] - [ 0.0000078700000000, 0.0002955000000000, 0.0000656000000000 ] - [ 0.0002404400000000, -0.0000495200000000, -0.0000349400000000 ] - [ -0.0004614300000000, 0.0001771900000000, 0.0000207700000000 ] - [ 0.0009393100000000, -0.0008361500000000, -0.0002542800000000 ] - [ 0.0001491600000000, -0.0001648200000000, 0.0000925200000000 ] - [ -0.0000165900000000, 0.0002852900000000, 0.0000941600000000 ] - [ 0.0000879800000000, -0.0003674000000000, -0.0000848300000000 ] - [ -0.0000643500000000, 0.0000785400000000, -0.0000402100000000 ] - [ 0.0003253600000000, 0.0002103400000000, -0.0001794500000000 ] - [ -0.0002061800000000, -0.0000010300000000, 0.0000400600000000 ] - [ 0.0002960900000000, 0.0001137000000000, -0.0002956300000000 ] - [ -0.0000376700000000, 0.0002070300000000, 0.0002272100000000 ] - [ -0.0000361800000000, -0.0003270600000000, 0.0000637000000000 ] - [ 0.0003217700000000, -0.0000826800000000, 0.0001056500000000 ] - [ -0.0015784600000000, 0.0034841300000000, 0.0010026000000000 ] - [ 0.0383522800000000, 0.0156980700000000, 0.0352010400000000 ] - [ -0.0000415200000000, 0.0003064200000000, -0.0000163500000000 ] - [ 0.0003178900000000, 0.0006926400000000, 0.0001761600000000 ] - [ 0.0003724700000000, 0.0001071000000000, -0.0001278200000000 ] - [ 0.0005987100000000, -0.0002255900000000, -0.0001766200000000 ] - [ 0.0002116100000000, 0.0000221900000000, 0.0001611000000000 ] - [ -0.0002873600000000, 0.0000018200000000, -0.0002358500000000 ] - [ 0.0002808200000000, -0.0000345200000000, -0.0000970200000000 ] - [ -0.0001386900000000, 0.0003736900000000, 0.0001410500000000 ] - [ 0.0000533000000000, -0.0004014600000000, 0.0001264000000000 ] - [ -0.0001265400000000, -0.0004545000000000, -0.0002111400000000 ] - [ -0.0003963900000000, 0.0001461400000000, -0.0000999900000000 ] - [ 0.0003852700000000, -0.0001078700000000, 0.0000812400000000 ] - [ 0.0000812300000000, -0.0004623200000000, -0.0006044700000000 ] - [ 0.0000869400000000, 0.0000923300000000, -0.0000426500000000 ] - [ 0.0000229200000000, -0.0000852500000000, 0.0000594000000000 ] - [ -0.0001510900000000, -0.0016429700000000, 0.0026527700000000 ] - [ -0.0000913200000000, 0.0000215700000000, -0.0000596900000000 ] - [ -0.0000235300000000, -0.0000858800000000, 0.0000820200000000 ] - [ -0.0000546700000000, 0.0001316400000000, -0.0000142900000000 ] - [ 0.0000079900000000, -0.0000353100000000, -0.0000642600000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000856300000000, -0.0010230300000000, 0.0004412800000000 ] - [ -0.0019249400000000, 0.0023889800000000, 0.0014739500000000 ] - [ 0.0000564000000000, -0.0000792000000000, -0.0000040000000000 ] - [ -0.0001065900000000, -0.0001681500000000, -0.0000003100000000 ] - [ -0.0001494100000000, 0.0000165600000000, 0.0000851800000000 ] - [ 0.0001105900000000, 0.0001215500000000, -0.0000502400000000 ] - [ 0.0000511500000000, -0.0000512500000000, -0.0000918000000000 ] - [ -0.0002991400000000, -0.0000492000000000, 0.0001141400000000 ] - [ 0.0000619400000000, 0.0000667600000000, -0.0000104800000000 ] - [ -0.0000195000000000, 0.0001023300000000, -0.0000040300000000 ] - [ 0.0002738900000000, -0.0000361600000000, -0.0000396000000000 ] - [ -0.0000125700000000, -0.0001130200000000, 0.0000021300000000 ] - [ 0.0000840500000000, -0.0000281900000000, 0.0000714500000000 ] - [ 0.0011421900000000, 0.0001525700000000, -0.0000024200000000 ] - [ -0.0002556300000000, -0.0000245400000000, -0.0000658600000000 ] - [ 0.0002315700000000, -0.0001179600000000, 0.0003690400000000 ] - [ 0.1200201500000000, -0.0009926500000000, 0.0022838300000000 ] - [ -0.0001605900000000, 0.0000637900000000, 0.0004547100000000 ] - [ 0.0001868700000000, -0.0001698700000000, -0.0002262700000000 ] - [ -0.0516430000000000, 0.0032376700000000, 0.0294348600000000 ] - [ 0.0001796100000000, -0.0001653000000000, 0.0001848700000000 ] - [ -0.0001278900000000, -0.0002244400000000, -0.0001568500000000 ] - [ 0.0003680400000000, -0.0021236600000000, -0.0013825000000000 ] - [ 0.0002315400000000, 0.0001983000000000, 0.0002502200000000 ] - [ -0.0000920400000000, -0.0001980400000000, 0.0003414300000000 ] - [ 0.0002601700000000, -0.0001348600000000, 0.0000804000000000 ] - [ -0.0002511400000000, 0.0001330700000000, 0.0003505700000000 ] - [ 0.0002204000000000, -0.0002230200000000, -0.0001949200000000 ] - [ -0.0000453600000000, 0.0001355600000000, -0.0000479100000000 ] - [ 0.0000259200000000, 0.0001603000000000, 0.0001144500000000 ] - [ 0.0000727400000000, 0.0004088900000000, -0.0003413000000000 ] - [ -0.0007111700000000, 0.0000415700000000, -0.0000236700000000 ] - [ -0.0060656800000000, -0.0067648600000000, 0.0018323300000000 ] - [ 0.0002232500000000, -0.0001011700000000, 0.0000847400000000 ] - [ 0.0001083700000000, 0.0001764300000000, -0.0000021600000000 ] - [ -0.0023370400000000, 0.0108960100000000, 0.0071859100000000 ] - [ -0.0001741800000000, -0.0000734100000000, -0.0000184000000000 ] - [ 0.0004060800000000, -0.0002747100000000, 0.0000359200000000 ] - [ -0.0000800200000000, 0.0002131900000000, -0.0000050300000000 ] - [ 0.0000490200000000, -0.0002232600000000, 0.0000000900000000 ] - [ 0.0001296400000000, -0.0000015400000000, -0.0000352500000000 ] - [ -0.0000083900000000, 0.0001712900000000, -0.0002077800000000 ] - [ -0.0004975000000000, -0.0001429700000000, 0.0004555600000000 ] - [ -0.0003202100000000, -0.0000049000000000, -0.0000199200000000 ] - [ 0.0001124700000000, 0.0001237500000000, 0.0000031200000000 ] - [ -0.0002387000000000, -0.0000506500000000, 0.0001260600000000 ] - [ 0.0001541400000000, -0.0004585000000000, 0.0000234800000000 ] - [ 0.0001865600000000, -0.0002906200000000, -0.0000356300000000 ] - [ -0.0079673900000000, 0.0011504500000000, -0.0042866500000000 ] - [ -0.0005219400000000, 0.0005689400000000, -0.0003408600000000 ] - [ -0.0002988700000000, 0.0000309000000000, 0.0000871900000000 ] - [ 0.0000850100000000, -0.0003592000000000, -0.0000436600000000 ] - [ 0.0002321100000000, -0.0002531200000000, -0.0007056500000000 ] - [ 0.0000668700000000, 0.0003397100000000, 0.0000966700000000 ] - [ -0.0060390400000000, 0.0054567700000000, -0.0048133200000000 ] - [ -0.0003418800000000, -0.0000394000000000, -0.0000725400000000 ] - [ 0.0002430100000000, 0.0003947900000000, -0.0002354300000000 ] - [ -0.0003695400000000, 0.0000017600000000, -0.0001691300000000 ] - [ 0.0003421400000000, -0.0003101000000000, -0.0005838700000000 ] - [ -0.0007391900000000, 0.0015952400000000, 0.0001944600000000 ] - [ 0.0000730000000000, -0.0004872500000000, 0.0003024700000000 ] - [ -0.0001177400000000, -0.0003305400000000, 0.0000096400000000 ] - [ -0.0005398000000000, 0.0000347000000000, 0.0002210700000000 ] - [ 0.0004576700000000, -0.0000453600000000, 0.0001034000000000 ] - [ 0.0001105600000000, 0.0000023800000000, 0.0000077500000000 ] - [ 0.0004513400000000, -0.0003199100000000, 0.0000062500000000 ] - [ -0.0033087900000000, 0.0021375400000000, 0.0025034700000000 ] - [ -0.0001424300000000, 0.0000899300000000, -0.0000139300000000 ] - [ -0.0003150700000000, 0.0000436500000000, 0.0002071700000000 ] - [ -0.0000148400000000, -0.0009953800000000, 0.0000975800000000 ] - [ 0.0000292800000000, 0.0000739800000000, 0.0000114600000000 ] - [ -0.0001311700000000, 0.0006554500000000, 0.0006518400000000 ] - [ 0.0001295500000000, 0.0001509300000000, -0.0002395000000000 ] - [ -0.0001737700000000, 0.0001695000000000, -0.0002756500000000 ] - [ 0.0011600400000000, -0.0000529200000000, 0.0009390600000000 ] - [ -0.0000761100000000, 0.0002159800000000, 0.0001800100000000 ] - [ 0.0006134100000000, 0.0002525400000000, 0.0000554900000000 ] - [ -0.0008221200000000, -0.0001775000000000, -0.0000377300000000 ] - [ -0.0001681300000000, -0.0001478300000000, 0.0002647300000000 ] - [ -0.0004563700000000, 0.0001313300000000, 0.0007740700000000 ] - [ -0.0003049800000000, 0.0000119100000000, 0.0004999100000000 ] - [ 0.0006427500000000, 0.0000618200000000, -0.0000686700000000 ] - [ -0.0002715600000000, -0.0000614000000000, 0.0002081700000000 ] - [ 0.0001798400000000, 0.0000837100000000, -0.0003512300000000 ] - [ -0.0003071500000000, 0.0001192000000000, -0.0005305100000000 ] - [ 0.0001933200000000, 0.0003149800000000, 0.0002857300000000 ] - [ 0.0000399300000000, 0.0004076200000000, -0.0004388800000000 ] - [ -0.0000519300000000, 0.0000422000000000, -0.0001475800000000 ] - [ -0.0001627600000000, 0.0000517200000000, -0.0000049300000000 ] - [ -0.0000502800000000, -0.0002026000000000, 0.0000200700000000 ] - [ -0.0022097400000000, 0.0017557600000000, -0.0008101200000000 ] - [ 0.0001153700000000, 0.0000358300000000, 0.0000333100000000 ] - [ -0.0003490900000000, -0.0004456400000000, -0.0000254600000000 ] - [ 0.0000987500000000, -0.0000982900000000, -0.0000057200000000 ] - [ 0.0003129300000000, 0.0001434000000000, 0.0000183600000000 ] - [ -0.0007937400000000, 0.0005010800000000, 0.0003023500000000 ] - [ 0.0001901300000000, 0.0000162800000000, -0.0000528400000000 ] - [ 0.0001644200000000, 0.0000504000000000, -0.0000520700000000 ] - [ -0.0002379300000000, 0.0000302200000000, 0.0001255600000000 ] - [ -0.0002708300000000, -0.0002251900000000, 0.0000002200000000 ] - [ 0.0000177700000000, -0.0000602000000000, 0.0001454100000000 ] - [ -0.0001337900000000, 0.0001505900000000, 0.0000004800000000 ] - [ -0.0001458300000000, -0.0004532500000000, 0.0002571800000000 ] - [ -0.0001093900000000, 0.0001297000000000, -0.0002671700000000 ] - [ -0.0000983800000000, -0.0003427400000000, 0.0000919400000000 ] - [ 0.0003470700000000, -0.0000503200000000, 0.0000510600000000 ] - [ 0.0008932000000000, -0.0033472000000000, -0.0008747600000000 ] - [ -0.0375697700000000, -0.0160451800000000, -0.0341120800000000 ] - [ -0.0000925200000000, 0.0003628700000000, -0.0001377600000000 ] - [ -0.0001782900000000, -0.0000234200000000, -0.0000237800000000 ] - [ 0.0002976600000000, 0.0000263100000000, -0.0000276000000000 ] - [ -0.0012624500000000, 0.0000861600000000, 0.0000155000000000 ] - [ -0.0000782300000000, 0.0006457400000000, -0.0003178700000000 ] - [ -0.0003835500000000, 0.0001302700000000, 0.0000792600000000 ] - [ 0.0003854000000000, -0.0001018900000000, -0.0000584100000000 ] - [ 0.0000059700000000, 0.0002955200000000, 0.0000141400000000 ] - [ 0.0000820800000000, -0.0002684800000000, 0.0000278300000000 ] - [ -0.0000067700000000, -0.0002155100000000, 0.0000556400000000 ] - [ -0.0002738300000000, -0.0002787900000000, 0.0002562600000000 ] - [ 0.0002857200000000, 0.0002424800000000, 0.0000710900000000 ] - [ 0.0001106900000000, 0.0004663300000000, 0.0006167500000000 ] - [ -0.0000870200000000, 0.0000992300000000, 0.0000414900000000 ] - [ -0.0000223800000000, -0.0001064800000000, -0.0000587100000000 ] - [ -0.0000333300000000, 0.0016203100000000, -0.0026371000000000 ] - [ -0.0001013400000000, -0.0000211600000000, 0.0000598200000000 ] - [ 0.0000233200000000, -0.0001079100000000, -0.0000810400000000 ] - [ 0.0000539000000000, 0.0000612500000000, 0.0000133600000000 ] - [ 0.0001851700000000, 0.0000353100000000, 0.0000641900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006308400000000, -0.0007785200000000, -0.0000472400000000 ] - [ -0.0021676100000000, 0.0079532300000000, 0.0043098400000000 ] - [ 0.0000141000000000, -0.0000833000000000, -0.0000153700000000 ] - [ 0.0000789300000000, -0.0000444800000000, -0.0001613700000000 ] - [ -0.0001215900000000, -0.0000239700000000, -0.0000289000000000 ] - [ 0.0000502000000000, -0.0000788100000000, -0.0000441100000000 ] - [ -0.0001148700000000, 0.0000272200000000, -0.0000241400000000 ] - [ 0.0000438000000000, 0.0006591300000000, 0.0006285400000000 ] - [ 0.0000250200000000, 0.0000851900000000, 0.0000237400000000 ] - [ 0.0000000300000000, 0.0001073200000000, -0.0000506100000000 ] - [ 0.0000711800000000, 0.0000764400000000, -0.0000096400000000 ] - [ 0.0000122800000000, -0.0001210900000000, 0.0000224700000000 ] - [ -0.0002567100000000, 0.0000250800000000, -0.0001101800000000 ] - [ -0.0005565500000000, 0.0001150000000000, -0.0002085900000000 ] - [ -0.0003266900000000, -0.0000889300000000, 0.0001230000000000 ] - [ 0.0001066100000000, -0.0003656800000000, 0.0001941100000000 ] - [ 0.0011713200000000, -0.1279042200000000, 0.0071035100000000 ] - [ -0.0002875200000000, -0.0008795100000000, -0.0010190400000000 ] - [ 0.0001460700000000, -0.0001078100000000, -0.0002492100000000 ] - [ 0.0030145300000000, 0.0094868200000000, -0.0015356300000000 ] - [ 0.0001177700000000, -0.0002010600000000, 0.0002377200000000 ] - [ -0.0000580500000000, -0.0001778200000000, -0.0002191100000000 ] - [ 0.0005800300000000, -0.0006307200000000, 0.0009278100000000 ] - [ 0.0001250100000000, 0.0000506500000000, 0.0002062300000000 ] - [ -0.0000836100000000, -0.0002115300000000, 0.0002989700000000 ] - [ 0.0001301700000000, -0.0000255700000000, 0.0005072200000000 ] - [ -0.0001322700000000, 0.0000178800000000, 0.0001891000000000 ] - [ 0.0000572300000000, -0.0003878900000000, -0.0000520300000000 ] - [ -0.0001459800000000, 0.0004348800000000, -0.0003296900000000 ] - [ 0.0001213400000000, -0.0000458500000000, 0.0002395100000000 ] - [ 0.0000830000000000, 0.0002451100000000, -0.0002589800000000 ] - [ 0.0000422900000000, -0.0002315600000000, -0.0003442800000000 ] - [ -0.0031618100000000, 0.0778281300000000, -0.0221548500000000 ] - [ -0.0005930400000000, 0.0001061800000000, -0.0003896300000000 ] - [ 0.0000127800000000, 0.0001978100000000, -0.0000219000000000 ] - [ -0.0018260000000000, 0.0058459500000000, 0.0036717400000000 ] - [ -0.0001668800000000, -0.0000491500000000, 0.0000296600000000 ] - [ 0.0000682700000000, -0.0001477000000000, 0.0000211800000000 ] - [ -0.0000666600000000, 0.0001972000000000, -0.0000357900000000 ] - [ 0.0000671800000000, -0.0001737900000000, 0.0000411300000000 ] - [ 0.0001425800000000, 0.0000753500000000, -0.0000579000000000 ] - [ 0.0000661000000000, 0.0004882900000000, -0.0000466400000000 ] - [ -0.0003775600000000, -0.0002051200000000, 0.0001735900000000 ] - [ -0.0001466800000000, 0.0000028400000000, -0.0000728400000000 ] - [ 0.0002183600000000, 0.0000318800000000, -0.0000347100000000 ] - [ -0.0002811900000000, 0.0001548500000000, -0.0002891600000000 ] - [ 0.0000942200000000, -0.0002936700000000, 0.0001373200000000 ] - [ -0.0003105300000000, 0.0009479000000000, 0.0000112400000000 ] - [ 0.0002574000000000, 0.0000098200000000, 0.0006270000000000 ] - [ 0.0001344100000000, 0.0005975700000000, 0.0004468600000000 ] - [ -0.0003137800000000, 0.0000921400000000, 0.0000638500000000 ] - [ 0.0000950300000000, -0.0003517300000000, -0.0001005600000000 ] - [ -0.0001388300000000, 0.0002624500000000, -0.0000678900000000 ] - [ 0.0000979600000000, 0.0003519400000000, 0.0000808000000000 ] - [ -0.0000217900000000, -0.0015965900000000, -0.0015379000000000 ] - [ -0.0003447200000000, 0.0000067300000000, -0.0001039100000000 ] - [ 0.0002207600000000, 0.0003364600000000, -0.0001619000000000 ] - [ -0.0005797600000000, 0.0001608400000000, 0.0003706800000000 ] - [ 0.0002712500000000, 0.0000984900000000, -0.0000053700000000 ] - [ -0.0002630700000000, 0.0005742500000000, 0.0002755500000000 ] - [ -0.0001063900000000, -0.0004709600000000, 0.0001321200000000 ] - [ -0.0000618800000000, -0.0006897500000000, 0.0000048700000000 ] - [ -0.0002914400000000, 0.0000938800000000, -0.0000584200000000 ] - [ 0.0003350100000000, -0.0000151100000000, 0.0000603500000000 ] - [ 0.0001430500000000, 0.0000067600000000, 0.0000057900000000 ] - [ 0.0002844400000000, 0.0001876400000000, -0.0002131400000000 ] - [ -0.0049155500000000, 0.0092626600000000, 0.0020224100000000 ] - [ -0.0000672200000000, -0.0000795900000000, -0.0000098200000000 ] - [ -0.0001582200000000, 0.0004057300000000, -0.0001306700000000 ] - [ 0.0008190500000000, 0.0010080500000000, -0.0010103000000000 ] - [ -0.0000209400000000, 0.0001147300000000, 0.0001861700000000 ] - [ 0.0001323500000000, -0.0008053000000000, -0.0002287400000000 ] - [ 0.0001317700000000, 0.0001629900000000, -0.0002151800000000 ] - [ -0.0001454800000000, 0.0000951700000000, -0.0002657600000000 ] - [ 0.0003001200000000, -0.0001292800000000, -0.0002027400000000 ] - [ -0.0000661500000000, 0.0001992500000000, 0.0001972500000000 ] - [ 0.0005337100000000, -0.0004262400000000, 0.0002281000000000 ] - [ -0.0001043600000000, -0.0001451600000000, -0.0003343900000000 ] - [ -0.0001208700000000, -0.0001131900000000, 0.0002536000000000 ] - [ 0.0006270000000000, 0.0007519800000000, -0.0009408800000000 ] - [ -0.0002937600000000, -0.0000930200000000, 0.0001300100000000 ] - [ 0.0003934500000000, -0.0000127800000000, -0.0000490100000000 ] - [ -0.0003938600000000, -0.0003637000000000, 0.0003918500000000 ] - [ 0.0003670200000000, -0.0001331700000000, -0.0002742300000000 ] - [ -0.0001584200000000, -0.0001219300000000, -0.0006550900000000 ] - [ -0.0000341500000000, 0.0000852900000000, 0.0003198500000000 ] - [ 0.0000853500000000, 0.0002079300000000, -0.0001478400000000 ] - [ 0.0000413800000000, 0.0004331200000000, -0.0000240600000000 ] - [ -0.0001678400000000, 0.0001005600000000, -0.0000441900000000 ] - [ -0.0000773000000000, -0.0001327700000000, 0.0000593200000000 ] - [ -0.0023258400000000, -0.0052314200000000, -0.0023349100000000 ] - [ 0.0001388100000000, 0.0001039600000000, 0.0000920000000000 ] - [ -0.0002529200000000, -0.0000999900000000, -0.0001568900000000 ] - [ 0.0001595700000000, -0.0001211500000000, -0.0000280700000000 ] - [ 0.0004195700000000, -0.0005042300000000, -0.0009590800000000 ] - [ -0.0005531900000000, 0.0004267700000000, 0.0007749800000000 ] - [ 0.0002808800000000, -0.0000627400000000, -0.0000690000000000 ] - [ 0.0001100600000000, -0.0001066200000000, 0.0002215000000000 ] - [ -0.0003810500000000, 0.0003723500000000, 0.0005166400000000 ] - [ -0.0001647300000000, -0.0000559700000000, -0.0000933400000000 ] - [ 0.0005791500000000, 0.0004809500000000, 0.0008535600000000 ] - [ -0.0001870400000000, 0.0000427600000000, -0.0000735300000000 ] - [ -0.0000081600000000, -0.0003857900000000, 0.0000233300000000 ] - [ -0.0004246500000000, 0.0002855900000000, -0.0000863200000000 ] - [ -0.0001227500000000, -0.0003584900000000, 0.0000525400000000 ] - [ 0.0003439000000000, -0.0000282100000000, 0.0000984600000000 ] - [ -0.0006143000000000, 0.0032127900000000, 0.0024749300000000 ] - [ 0.0120213000000000, 0.0194380200000000, 0.0117225600000000 ] - [ -0.0000981000000000, 0.0003119300000000, -0.0000432500000000 ] - [ -0.0003221600000000, 0.0000851600000000, 0.0005137600000000 ] - [ 0.0003109500000000, 0.0000150700000000, -0.0000541400000000 ] - [ -0.0000862500000000, -0.0002320500000000, -0.0000187100000000 ] - [ -0.0000290900000000, 0.0005748700000000, -0.0001819600000000 ] - [ -0.0002786700000000, 0.0000923400000000, -0.0001029300000000 ] - [ 0.0002216700000000, -0.0000353400000000, -0.0000827000000000 ] - [ -0.0000073300000000, 0.0002676000000000, -0.0002261900000000 ] - [ 0.0001389000000000, -0.0002154700000000, 0.0000094200000000 ] - [ 0.0000248100000000, -0.0002832700000000, 0.0000473500000000 ] - [ -0.0003462700000000, -0.0003169100000000, 0.0001610900000000 ] - [ 0.0003829500000000, 0.0000821400000000, -0.0000661300000000 ] - [ 0.0000289700000000, 0.0001886900000000, 0.0002473800000000 ] - [ 0.0000777700000000, 0.0000949200000000, -0.0000326500000000 ] - [ 0.0000652400000000, -0.0000693200000000, -0.0000523500000000 ] - [ -0.0019840500000000, 0.0003174300000000, -0.0035001500000000 ] - [ 0.0000523300000000, -0.0000933900000000, -0.0000621000000000 ] - [ -0.0000060300000000, -0.0001047100000000, -0.0000645400000000 ] - [ 0.0000401100000000, 0.0001057800000000, 0.0000373700000000 ] - [ 0.0002614800000000, -0.0000227900000000, 0.0000815000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005326700000000, 0.0008864400000000, 0.0000547700000000 ] - [ 0.0021558300000000, -0.0081031200000000, -0.0044945900000000 ] - [ 0.0000899700000000, -0.0000193400000000, 0.0000159600000000 ] - [ -0.0001814800000000, -0.0000610900000000, 0.0001600300000000 ] - [ 0.0000200300000000, -0.0000785100000000, 0.0000287400000000 ] - [ 0.0000534900000000, -0.0000262800000000, 0.0000440100000000 ] - [ 0.0000093100000000, 0.0000762700000000, 0.0000252000000000 ] - [ 0.0000587300000000, -0.0005586000000000, -0.0006214200000000 ] - [ 0.0000789400000000, 0.0000170500000000, -0.0000241800000000 ] - [ -0.0001044200000000, -0.0000041000000000, 0.0000502200000000 ] - [ 0.0000337400000000, -0.0001815400000000, 0.0000074100000000 ] - [ -0.0001170200000000, 0.0000175100000000, -0.0000223800000000 ] - [ 0.0001604300000000, -0.0001280300000000, 0.0001117300000000 ] - [ 0.0006496100000000, -0.0002158000000000, 0.0002005800000000 ] - [ 0.0002198600000000, 0.0001881700000000, -0.0001254500000000 ] - [ 0.0000011700000000, 0.0004660000000000, -0.0001891000000000 ] - [ -0.0010148100000000, 0.1252529500000000, -0.0055112800000000 ] - [ -0.0000482500000000, 0.0010885100000000, 0.0005765000000000 ] - [ 0.0002078500000000, -0.0001042700000000, -0.0001903200000000 ] - [ -0.0029719300000000, -0.0091919000000000, 0.0017499600000000 ] - [ 0.0000959900000000, -0.0001512200000000, 0.0002029700000000 ] - [ -0.0001546000000000, -0.0001755100000000, -0.0002203700000000 ] - [ -0.0009224300000000, 0.0004373500000000, -0.0004539300000000 ] - [ 0.0002287700000000, 0.0001623700000000, 0.0002330200000000 ] - [ -0.0001297000000000, -0.0001409600000000, 0.0001418300000000 ] - [ 0.0002206500000000, -0.0001886100000000, -0.0000678600000000 ] - [ -0.0002228200000000, 0.0001866300000000, 0.0002511300000000 ] - [ 0.0001535000000000, 0.0000329600000000, -0.0003861900000000 ] - [ -0.0000679000000000, -0.0000834000000000, -0.0001085100000000 ] - [ 0.0000913200000000, 0.0003992700000000, 0.0002005900000000 ] - [ 0.0002684500000000, -0.0000304100000000, -0.0001794900000000 ] - [ -0.0003903300000000, 0.0000145200000000, -0.0000980300000000 ] - [ 0.0026319900000000, -0.0745599600000000, 0.0204186000000000 ] - [ 0.0004473800000000, -0.0004394000000000, 0.0003546400000000 ] - [ 0.0001361400000000, 0.0001427200000000, -0.0000177400000000 ] - [ 0.0021171600000000, -0.0056788000000000, -0.0036440500000000 ] - [ -0.0001727000000000, -0.0001003600000000, 0.0000082000000000 ] - [ 0.0002697700000000, -0.0000010900000000, -0.0000589500000000 ] - [ -0.0000825200000000, 0.0001432300000000, 0.0000744400000000 ] - [ 0.0000822900000000, -0.0001676800000000, -0.0000017400000000 ] - [ 0.0001987800000000, -0.0002265200000000, 0.0000980000000000 ] - [ 0.0000833200000000, -0.0001561100000000, 0.0000829900000000 ] - [ 0.0002150500000000, -0.0001201700000000, -0.0001209000000000 ] - [ -0.0001923000000000, -0.0001514300000000, 0.0000319200000000 ] - [ 0.0001237700000000, 0.0001186200000000, -0.0000031500000000 ] - [ -0.0000429800000000, -0.0000052100000000, 0.0003432700000000 ] - [ 0.0000570200000000, -0.0000411900000000, -0.0001783200000000 ] - [ 0.0001644000000000, -0.0006120500000000, -0.0000528700000000 ] - [ -0.0003813100000000, -0.0006552000000000, -0.0004328200000000 ] - [ 0.0005362000000000, -0.0007310200000000, -0.0002959500000000 ] - [ -0.0003565800000000, 0.0000419800000000, 0.0000916600000000 ] - [ 0.0000385100000000, -0.0003182000000000, -0.0000549900000000 ] - [ 0.0000154600000000, 0.0004040900000000, -0.0000836700000000 ] - [ 0.0000368200000000, 0.0003175500000000, 0.0000752500000000 ] - [ 0.0006774600000000, 0.0017223200000000, 0.0013749200000000 ] - [ -0.0003263700000000, -0.0001408700000000, -0.0000497500000000 ] - [ -0.0000847900000000, 0.0003359400000000, 0.0000065600000000 ] - [ -0.0000849400000000, -0.0000303500000000, -0.0005346700000000 ] - [ 0.0004011000000000, -0.0002351900000000, -0.0001555100000000 ] - [ 0.0001214700000000, 0.0001091000000000, -0.0001269700000000 ] - [ 0.0002411500000000, -0.0001951700000000, 0.0000270800000000 ] - [ -0.0000717400000000, 0.0000193000000000, -0.0001595000000000 ] - [ -0.0003811000000000, -0.0002258500000000, 0.0002209900000000 ] - [ 0.0003353800000000, 0.0001478100000000, 0.0000972300000000 ] - [ 0.0000492000000000, -0.0000069500000000, -0.0000060500000000 ] - [ -0.0002848500000000, 0.0000041200000000, 0.0002194300000000 ] - [ 0.0048289400000000, -0.0092209900000000, -0.0019976300000000 ] - [ -0.0001239100000000, 0.0000790300000000, 0.0000106800000000 ] - [ -0.0000320400000000, -0.0004076800000000, 0.0001297300000000 ] - [ -0.0008488800000000, -0.0011968400000000, 0.0010470200000000 ] - [ 0.0000197800000000, 0.0000756100000000, -0.0001857600000000 ] - [ 0.0000416400000000, 0.0008118800000000, 0.0002536300000000 ] - [ 0.0000808900000000, 0.0001891400000000, -0.0002248500000000 ] - [ -0.0002072800000000, 0.0001177200000000, -0.0001736600000000 ] - [ 0.0000607200000000, -0.0000912800000000, -0.0002394700000000 ] - [ -0.0001462300000000, 0.0001539900000000, 0.0002425600000000 ] - [ -0.0003201100000000, 0.0000740300000000, 0.0002076600000000 ] - [ -0.0001114700000000, -0.0002093200000000, -0.0001064200000000 ] - [ -0.0002322900000000, -0.0000989100000000, 0.0001855600000000 ] - [ -0.0002790300000000, -0.0005212400000000, 0.0013748500000000 ] - [ 0.0000832200000000, -0.0002577300000000, 0.0003141900000000 ] - [ -0.0000427600000000, -0.0002021800000000, 0.0004916300000000 ] - [ 0.0000423500000000, 0.0005767700000000, 0.0000447900000000 ] - [ -0.0001548700000000, -0.0002193000000000, -0.0001655500000000 ] - [ -0.0000557200000000, 0.0004778400000000, 0.0002174200000000 ] - [ 0.0002490500000000, 0.0002644500000000, 0.0001166900000000 ] - [ 0.0002709300000000, 0.0000001300000000, -0.0002920500000000 ] - [ -0.0003913400000000, -0.0006465900000000, -0.0004180600000000 ] - [ -0.0001718400000000, 0.0000488300000000, 0.0000051200000000 ] - [ -0.0000722300000000, -0.0002077500000000, -0.0000982100000000 ] - [ 0.0024712800000000, 0.0055458300000000, 0.0023359500000000 ] - [ 0.0002002900000000, 0.0000454300000000, -0.0000533900000000 ] - [ -0.0000843900000000, -0.0000525400000000, 0.0001924800000000 ] - [ 0.0001794600000000, -0.0000289100000000, -0.0000104600000000 ] - [ -0.0005685700000000, 0.0008565900000000, 0.0009933400000000 ] - [ 0.0006992400000000, -0.0007693400000000, -0.0007358000000000 ] - [ 0.0000596000000000, -0.0000877800000000, 0.0001079500000000 ] - [ 0.0000381700000000, 0.0004489600000000, -0.0001834500000000 ] - [ 0.0002276600000000, -0.0007058800000000, -0.0004744600000000 ] - [ -0.0001782700000000, -0.0000958200000000, 0.0000534100000000 ] - [ -0.0002477400000000, -0.0003331400000000, -0.0009245200000000 ] - [ -0.0001544400000000, 0.0001046900000000, 0.0001116600000000 ] - [ 0.0001594000000000, 0.0000463700000000, -0.0000652400000000 ] - [ 0.0002738100000000, 0.0000478300000000, 0.0000443300000000 ] - [ -0.0000111000000000, -0.0003112400000000, 0.0001029400000000 ] - [ 0.0003265500000000, -0.0001055200000000, 0.0000561600000000 ] - [ -0.0000019200000000, -0.0031177100000000, -0.0022772400000000 ] - [ -0.0118485200000000, -0.0201371000000000, -0.0119768400000000 ] - [ -0.0000355400000000, 0.0003578300000000, -0.0001124400000000 ] - [ 0.0004555700000000, 0.0005796300000000, -0.0003541300000000 ] - [ 0.0003591400000000, 0.0001187100000000, -0.0001010000000000 ] - [ -0.0005841400000000, 0.0001047400000000, -0.0001418600000000 ] - [ 0.0001624100000000, 0.0000939100000000, 0.0000331900000000 ] - [ -0.0003910000000000, 0.0000417800000000, -0.0000528900000000 ] - [ 0.0004526500000000, -0.0000973700000000, -0.0000771700000000 ] - [ -0.0001257800000000, 0.0004040300000000, 0.0003796900000000 ] - [ -0.0000059400000000, -0.0004558900000000, 0.0001455700000000 ] - [ -0.0001594200000000, -0.0003885600000000, -0.0001998400000000 ] - [ -0.0003244800000000, 0.0001845900000000, -0.0000073100000000 ] - [ 0.0002805000000000, 0.0000507900000000, 0.0002229200000000 ] - [ 0.0001597500000000, -0.0002027100000000, -0.0002512300000000 ] - [ -0.0000769500000000, 0.0000980000000000, 0.0000333500000000 ] - [ -0.0000646400000000, -0.0001221200000000, 0.0000518400000000 ] - [ 0.0017609800000000, -0.0003157200000000, 0.0034769900000000 ] - [ -0.0002456800000000, 0.0000934400000000, 0.0000633200000000 ] - [ 0.0000061500000000, -0.0000862200000000, 0.0000634900000000 ] - [ -0.0000392300000000, 0.0000860600000000, -0.0000374100000000 ] - [ -0.0000693100000000, 0.0000234600000000, -0.0000809100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002122300000000, -0.0002569600000000, 0.0002184200000000 ] - [ -0.0012697900000000, 0.0044171600000000, 0.0039975200000000 ] - [ -0.0000013800000000, -0.0000422400000000, -0.0000066500000000 ] - [ 0.0000474200000000, -0.0000474800000000, -0.0000451700000000 ] - [ -0.0000969000000000, -0.0001267000000000, -0.0000727500000000 ] - [ 0.0000392600000000, -0.0002714500000000, -0.0000051700000000 ] - [ -0.0001952400000000, -0.0000705000000000, -0.0002758000000000 ] - [ 0.0003632500000000, 0.0002824600000000, 0.0007141400000000 ] - [ 0.0000348400000000, 0.0000514000000000, -0.0000036900000000 ] - [ 0.0000046200000000, 0.0000724100000000, -0.0000146500000000 ] - [ -0.0000238100000000, 0.0001569500000000, -0.0001063300000000 ] - [ 0.0000165800000000, -0.0000676200000000, 0.0000260900000000 ] - [ -0.0012210500000000, -0.0000561500000000, -0.0002277700000000 ] - [ 0.0016989200000000, -0.0002189400000000, 0.0008867500000000 ] - [ -0.0004348600000000, -0.0002244100000000, -0.0000066000000000 ] - [ -0.0001512300000000, 0.0003359000000000, -0.0003684800000000 ] - [ -0.0042127700000000, 0.0059366700000000, -0.1224032300000000 ] - [ -0.0001977100000000, -0.0010543500000000, -0.0001584700000000 ] - [ 0.0001293500000000, -0.0001618500000000, -0.0002649500000000 ] - [ -0.0288948000000000, 0.0018105400000000, 0.0290677300000000 ] - [ 0.0000710400000000, -0.0001581400000000, 0.0001489800000000 ] - [ -0.0000427700000000, -0.0001767900000000, -0.0001351500000000 ] - [ 0.0005126200000000, 0.0014908900000000, 0.0014760100000000 ] - [ 0.0001885700000000, 0.0001359800000000, 0.0002223300000000 ] - [ -0.0002276600000000, -0.0000971400000000, 0.0005414900000000 ] - [ 0.0002053200000000, -0.0002400100000000, 0.0003071500000000 ] - [ 0.0001070400000000, -0.0000357300000000, 0.0003047600000000 ] - [ 0.0000801000000000, -0.0003438800000000, -0.0001897400000000 ] - [ 0.0000630800000000, 0.0000641800000000, -0.0003433000000000 ] - [ 0.0000012300000000, 0.0001565000000000, 0.0001860100000000 ] - [ 0.0002486200000000, 0.0003235500000000, -0.0002209800000000 ] - [ -0.0003702700000000, -0.0000323200000000, -0.0001523900000000 ] - [ 0.0043717500000000, -0.0306605900000000, 0.0217161400000000 ] - [ 0.0001568400000000, -0.0000137900000000, -0.0004902100000000 ] - [ 0.0000764100000000, 0.0002451800000000, -0.0000322300000000 ] - [ -0.0013307700000000, 0.0060448700000000, 0.0085437000000000 ] - [ -0.0000846400000000, -0.0000843500000000, 0.0001640700000000 ] - [ -0.0001440800000000, -0.0003023600000000, -0.0000755400000000 ] - [ -0.0001149300000000, 0.0001808100000000, 0.0000069700000000 ] - [ 0.0000812000000000, -0.0001705700000000, 0.0000767500000000 ] - [ 0.0002993500000000, -0.0000397000000000, 0.0000774000000000 ] - [ -0.0001591800000000, 0.0001036000000000, 0.0000841500000000 ] - [ -0.0008000900000000, 0.0000998700000000, 0.0003072000000000 ] - [ -0.0001392800000000, -0.0001597700000000, 0.0000346800000000 ] - [ 0.0001173500000000, -0.0000149700000000, -0.0000077600000000 ] - [ -0.0006245000000000, 0.0000298100000000, 0.0000228600000000 ] - [ 0.0002032400000000, -0.0001984900000000, 0.0001906900000000 ] - [ -0.0003132500000000, 0.0003103900000000, 0.0003295100000000 ] - [ 0.0046556800000000, -0.0033840200000000, -0.0028420800000000 ] - [ 0.0008468100000000, -0.0000069300000000, 0.0002792700000000 ] - [ -0.0003800700000000, -0.0000021300000000, 0.0000781200000000 ] - [ 0.0000441900000000, -0.0003516400000000, -0.0000851700000000 ] - [ -0.0005111200000000, 0.0002559200000000, 0.0000332900000000 ] - [ 0.0001622400000000, 0.0003262800000000, 0.0001585300000000 ] - [ 0.0045713100000000, -0.0034802900000000, 0.0040314700000000 ] - [ -0.0002875900000000, -0.0000003100000000, -0.0000670800000000 ] - [ 0.0001410400000000, 0.0003605900000000, -0.0001403800000000 ] - [ -0.0003447800000000, 0.0001519300000000, 0.0000537200000000 ] - [ 0.0004543900000000, -0.0000708300000000, -0.0001730900000000 ] - [ -0.0001641900000000, 0.0003242000000000, 0.0000507500000000 ] - [ 0.0000692800000000, -0.0002193200000000, 0.0000944100000000 ] - [ -0.0001597400000000, -0.0003728400000000, -0.0000491800000000 ] - [ -0.0003592400000000, 0.0000112600000000, 0.0002524300000000 ] - [ 0.0004231100000000, 0.0000698700000000, 0.0000370100000000 ] - [ 0.0001421200000000, 0.0000164700000000, 0.0000074600000000 ] - [ -0.0001589500000000, 0.0003820800000000, -0.0003120500000000 ] - [ -0.0018227500000000, 0.0027704400000000, -0.0021467300000000 ] - [ -0.0000328700000000, -0.0000569500000000, -0.0000141100000000 ] - [ -0.0001449800000000, -0.0000562100000000, 0.0001496900000000 ] - [ -0.0002343700000000, -0.0015263000000000, -0.0004919400000000 ] - [ 0.0000802900000000, 0.0000984800000000, 0.0000342300000000 ] - [ 0.0002862100000000, 0.0002930600000000, 0.0004189600000000 ] - [ 0.0001257500000000, 0.0001807300000000, -0.0002601000000000 ] - [ -0.0001456700000000, 0.0001122300000000, -0.0002658400000000 ] - [ -0.0006210500000000, 0.0005624600000000, -0.0001575100000000 ] - [ -0.0000660500000000, 0.0001985000000000, 0.0002830800000000 ] - [ -0.0000599000000000, -0.0001637300000000, 0.0005500500000000 ] - [ 0.0000735900000000, -0.0000599400000000, -0.0001056500000000 ] - [ -0.0001415000000000, -0.0001508100000000, 0.0002781900000000 ] - [ 0.0013307300000000, 0.0006710500000000, -0.0001359600000000 ] - [ -0.0003894300000000, -0.0002669900000000, 0.0001775500000000 ] - [ 0.0000002700000000, -0.0000949400000000, 0.0002899900000000 ] - [ -0.0004471000000000, -0.0001825000000000, 0.0002900600000000 ] - [ 0.0002398700000000, -0.0001208600000000, -0.0002086000000000 ] - [ -0.0004169000000000, -0.0002660900000000, -0.0006899000000000 ] - [ 0.0001684600000000, 0.0000728600000000, 0.0002596600000000 ] - [ 0.0001377700000000, 0.0002249400000000, -0.0002208300000000 ] - [ -0.0000517900000000, 0.0000921000000000, -0.0001527900000000 ] - [ -0.0001632600000000, 0.0000885000000000, -0.0000171200000000 ] - [ -0.0000979800000000, -0.0001616000000000, 0.0000125000000000 ] - [ 0.0037424100000000, -0.0012758200000000, 0.0027840900000000 ] - [ 0.0001799600000000, 0.0000798700000000, 0.0000217000000000 ] - [ -0.0001630300000000, 0.0000923500000000, 0.0000340600000000 ] - [ 0.0000913100000000, -0.0001028400000000, -0.0001804200000000 ] - [ -0.0000949600000000, 0.0002129600000000, 0.0002102400000000 ] - [ 0.0000523300000000, -0.0003117600000000, -0.0002750000000000 ] - [ 0.0001641400000000, 0.0000790000000000, -0.0000843900000000 ] - [ 0.0001709700000000, 0.0002681500000000, -0.0001202500000000 ] - [ -0.0003016900000000, 0.0001095500000000, 0.0003022300000000 ] - [ -0.0000202300000000, 0.0000344300000000, 0.0000445900000000 ] - [ 0.0000123500000000, 0.0000068400000000, 0.0004260900000000 ] - [ -0.0002291000000000, 0.0001787800000000, 0.0000316300000000 ] - [ -0.0000036400000000, -0.0004059200000000, 0.0000651000000000 ] - [ 0.0000067300000000, -0.0000295500000000, -0.0002875500000000 ] - [ -0.0000631700000000, -0.0003594800000000, 0.0000234400000000 ] - [ 0.0002543900000000, -0.0000498500000000, 0.0001142500000000 ] - [ -0.0029509700000000, 0.0068527500000000, 0.0062648700000000 ] - [ 0.0211112900000000, 0.0114784300000000, 0.0438304400000000 ] - [ -0.0001043000000000, 0.0003764100000000, -0.0001237600000000 ] - [ 0.0004370300000000, 0.0005032000000000, 0.0000098100000000 ] - [ 0.0003183000000000, 0.0000236500000000, -0.0001113000000000 ] - [ 0.0002764200000000, -0.0007160200000000, 0.0000323300000000 ] - [ -0.0000225900000000, 0.0002606700000000, -0.0000564300000000 ] - [ -0.0003234500000000, 0.0000971000000000, -0.0000794200000000 ] - [ 0.0001097100000000, -0.0001842300000000, 0.0000176400000000 ] - [ 0.0000380500000000, 0.0002567600000000, -0.0000900800000000 ] - [ 0.0001476000000000, -0.0003860800000000, 0.0000026500000000 ] - [ 0.0000222900000000, -0.0002332800000000, -0.0000694900000000 ] - [ -0.0002311700000000, -0.0001019600000000, 0.0001605300000000 ] - [ 0.0005505900000000, 0.0003280500000000, 0.0001512700000000 ] - [ -0.0001542100000000, 0.0010608900000000, 0.0011413300000000 ] - [ -0.0001068200000000, -0.0000008500000000, 0.0000255600000000 ] - [ 0.0000144000000000, -0.0001042400000000, 0.0000853900000000 ] - [ 0.0022245400000000, -0.0012415000000000, 0.0022546500000000 ] - [ -0.0000533300000000, -0.0000074200000000, -0.0000057700000000 ] - [ 0.0000559700000000, -0.0001077400000000, -0.0000148300000000 ] - [ -0.0000151500000000, 0.0001279500000000, 0.0000402300000000 ] - [ 0.0002504000000000, 0.0000001700000000, 0.0000958000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003094500000000, 0.0003617900000000, -0.0002189000000000 ] - [ 0.0012020200000000, -0.0044067600000000, -0.0040059400000000 ] - [ 0.0001041800000000, -0.0000613700000000, 0.0000064900000000 ] - [ -0.0001515400000000, -0.0000537200000000, 0.0000455900000000 ] - [ -0.0000064100000000, 0.0000207700000000, 0.0000722700000000 ] - [ 0.0000634300000000, 0.0001675700000000, 0.0000058700000000 ] - [ 0.0000895200000000, 0.0001713800000000, 0.0002738800000000 ] - [ -0.0002590300000000, -0.0001797100000000, -0.0007167100000000 ] - [ 0.0000676800000000, 0.0000520500000000, 0.0000041400000000 ] - [ -0.0001075600000000, 0.0000312700000000, 0.0000141700000000 ] - [ 0.0001289100000000, -0.0002609000000000, 0.0001049500000000 ] - [ -0.0001196600000000, -0.0000360200000000, -0.0000258500000000 ] - [ 0.0011163700000000, -0.0000450600000000, 0.0002284300000000 ] - [ -0.0015733900000000, 0.0001199100000000, -0.0008784000000000 ] - [ 0.0003296300000000, 0.0003266200000000, 0.0000126100000000 ] - [ 0.0002620500000000, -0.0002371900000000, 0.0003751100000000 ] - [ 0.0038142800000000, -0.0066436200000000, 0.1201336200000000 ] - [ -0.0001617000000000, 0.0012864500000000, -0.0002799400000000 ] - [ 0.0002221400000000, -0.0000506900000000, -0.0001748200000000 ] - [ 0.0278892600000000, -0.0014744600000000, -0.0283393900000000 ] - [ 0.0001410400000000, -0.0001935300000000, 0.0002910400000000 ] - [ -0.0001692700000000, -0.0001762200000000, -0.0003043700000000 ] - [ -0.0008698400000000, -0.0017028000000000, -0.0010377800000000 ] - [ 0.0001624700000000, 0.0000764000000000, 0.0002185800000000 ] - [ 0.0000146700000000, -0.0002548300000000, -0.0000986700000000 ] - [ 0.0001441300000000, 0.0000282100000000, 0.0001347600000000 ] - [ -0.0004690100000000, 0.0002436700000000, 0.0001321800000000 ] - [ 0.0001309300000000, -0.0000102500000000, -0.0002515300000000 ] - [ -0.0002797200000000, 0.0002860600000000, -0.0000948100000000 ] - [ 0.0002137100000000, 0.0001959700000000, 0.0002545600000000 ] - [ 0.0001048900000000, -0.0001145600000000, -0.0002179200000000 ] - [ 0.0000230800000000, -0.0001809700000000, -0.0002893900000000 ] - [ -0.0047909400000000, 0.0313440700000000, -0.0218733800000000 ] - [ -0.0002942900000000, -0.0003191500000000, 0.0004536500000000 ] - [ 0.0000737800000000, 0.0000947100000000, -0.0000061600000000 ] - [ 0.0016652800000000, -0.0058779500000000, -0.0084579500000000 ] - [ -0.0002538600000000, -0.0000663200000000, -0.0001234900000000 ] - [ 0.0004802500000000, 0.0001550900000000, 0.0000360300000000 ] - [ -0.0000361700000000, 0.0001588100000000, 0.0000317400000000 ] - [ 0.0000692100000000, -0.0001689700000000, -0.0000382900000000 ] - [ 0.0000396300000000, -0.0001082600000000, -0.0000337600000000 ] - [ 0.0003096500000000, 0.0002361500000000, -0.0000459000000000 ] - [ 0.0006572700000000, -0.0004306200000000, -0.0002586300000000 ] - [ -0.0001966600000000, 0.0000103000000000, -0.0000734600000000 ] - [ 0.0002231900000000, 0.0001653300000000, -0.0000304900000000 ] - [ 0.0002863800000000, 0.0001201800000000, 0.0000115000000000 ] - [ -0.0000547800000000, -0.0001366600000000, -0.0002330500000000 ] - [ 0.0001774100000000, 0.0000177800000000, -0.0003800100000000 ] - [ -0.0047741800000000, 0.0027106400000000, 0.0029916200000000 ] - [ -0.0001878100000000, -0.0001426500000000, -0.0001439500000000 ] - [ -0.0002894500000000, 0.0001358800000000, 0.0000773300000000 ] - [ 0.0000904100000000, -0.0003183700000000, -0.0000700600000000 ] - [ 0.0003829600000000, 0.0004056000000000, -0.0001885600000000 ] - [ -0.0000271500000000, 0.0003424900000000, -0.0000036800000000 ] - [ -0.0039434000000000, 0.0036877500000000, -0.0042331700000000 ] - [ -0.0003818000000000, -0.0001327900000000, -0.0000881500000000 ] - [ -0.0000079700000000, 0.0003082200000000, -0.0000148000000000 ] - [ -0.0003265900000000, -0.0000156300000000, -0.0002041300000000 ] - [ 0.0002140200000000, -0.0000620100000000, 0.0000180100000000 ] - [ 0.0000231200000000, 0.0003468300000000, 0.0001085100000000 ] - [ 0.0000654600000000, -0.0004493100000000, 0.0000592800000000 ] - [ 0.0000266200000000, -0.0002934700000000, -0.0001049700000000 ] - [ -0.0003079300000000, -0.0001449800000000, -0.0000958700000000 ] - [ 0.0002466800000000, 0.0000647200000000, 0.0001201300000000 ] - [ 0.0000522900000000, -0.0000159000000000, -0.0000078300000000 ] - [ 0.0001589900000000, -0.0001875900000000, 0.0003131000000000 ] - [ 0.0018366700000000, -0.0029893000000000, 0.0021308700000000 ] - [ -0.0001615500000000, 0.0000579400000000, 0.0000144600000000 ] - [ -0.0000486400000000, 0.0000562000000000, -0.0001489400000000 ] - [ 0.0002302400000000, 0.0013364900000000, 0.0004593600000000 ] - [ -0.0000790700000000, 0.0000956200000000, -0.0000339200000000 ] - [ -0.0000948900000000, -0.0002836300000000, -0.0004209100000000 ] - [ 0.0000868100000000, 0.0001715800000000, -0.0001796400000000 ] - [ -0.0002052400000000, 0.0001001400000000, -0.0001757500000000 ] - [ 0.0009751600000000, -0.0007782000000000, -0.0002788000000000 ] - [ -0.0001463100000000, 0.0001538400000000, 0.0001566300000000 ] - [ 0.0002739800000000, -0.0001849600000000, -0.0001128700000000 ] - [ -0.0002924000000000, -0.0002884400000000, -0.0003352000000000 ] - [ -0.0002100600000000, -0.0000618100000000, 0.0001627500000000 ] - [ -0.0009844200000000, -0.0004319700000000, 0.0005609500000000 ] - [ 0.0001712100000000, -0.0000835800000000, 0.0002581000000000 ] - [ 0.0003479300000000, -0.0001206200000000, 0.0001518500000000 ] - [ 0.0000928800000000, 0.0003939300000000, 0.0001517700000000 ] - [ -0.0000213000000000, -0.0002302800000000, -0.0002309700000000 ] - [ 0.0002060000000000, 0.0006070800000000, 0.0002522700000000 ] - [ 0.0000375900000000, 0.0002766400000000, 0.0001787400000000 ] - [ 0.0002178000000000, -0.0000165000000000, -0.0002178100000000 ] - [ -0.0002987400000000, -0.0003049800000000, -0.0002897900000000 ] - [ -0.0001755800000000, 0.0000614800000000, -0.0000232700000000 ] - [ -0.0000530000000000, -0.0001783200000000, -0.0000502000000000 ] - [ -0.0035310400000000, 0.0015720200000000, -0.0027490400000000 ] - [ 0.0001595300000000, 0.0000706000000000, 0.0000179800000000 ] - [ -0.0001726000000000, -0.0002427400000000, 0.0000095100000000 ] - [ 0.0002480100000000, -0.0000468800000000, 0.0001400600000000 ] - [ -0.0000505800000000, 0.0001164100000000, -0.0001601200000000 ] - [ 0.0000897400000000, -0.0000120500000000, 0.0003229500000000 ] - [ 0.0001752500000000, -0.0002296900000000, 0.0001246500000000 ] - [ -0.0000217700000000, 0.0000743200000000, 0.0001588700000000 ] - [ 0.0001500600000000, -0.0004464500000000, -0.0002604100000000 ] - [ -0.0003207200000000, -0.0001811900000000, -0.0000809600000000 ] - [ 0.0003277300000000, 0.0001395500000000, -0.0004537100000000 ] - [ -0.0001121100000000, -0.0000300100000000, 0.0000065700000000 ] - [ 0.0001551800000000, 0.0000675600000000, -0.0001060700000000 ] - [ -0.0001561400000000, 0.0003700600000000, 0.0002490900000000 ] - [ -0.0000715100000000, -0.0003102200000000, 0.0001316600000000 ] - [ 0.0004138100000000, -0.0000838400000000, 0.0000411200000000 ] - [ 0.0022849800000000, -0.0066039400000000, -0.0059353800000000 ] - [ -0.0195859600000000, -0.0116792300000000, -0.0425416000000000 ] - [ -0.0000302400000000, 0.0002928000000000, -0.0000314000000000 ] - [ -0.0003046600000000, 0.0001583900000000, 0.0001374700000000 ] - [ 0.0003506100000000, 0.0001102800000000, -0.0000431500000000 ] - [ -0.0009413000000000, 0.0005799600000000, -0.0001870600000000 ] - [ 0.0001599300000000, 0.0004082700000000, -0.0001007600000000 ] - [ -0.0003468900000000, 0.0000371000000000, -0.0000773500000000 ] - [ 0.0005589100000000, 0.0000478400000000, -0.0001768800000000 ] - [ -0.0001706000000000, 0.0004129600000000, 0.0002431900000000 ] - [ -0.0000139000000000, -0.0002850700000000, 0.0001525500000000 ] - [ -0.0001545100000000, -0.0004358500000000, -0.0000870000000000 ] - [ -0.0004388100000000, -0.0000309700000000, -0.0000061900000000 ] - [ 0.0001186500000000, -0.0001925900000000, 0.0000015800000000 ] - [ 0.0003586700000000, -0.0010580400000000, -0.0011298700000000 ] - [ 0.0001035500000000, 0.0001948800000000, -0.0000244500000000 ] - [ -0.0000147800000000, -0.0000892800000000, -0.0000859900000000 ] - [ -0.0024197900000000, 0.0012399000000000, -0.0022513800000000 ] - [ -0.0001391900000000, 0.0000075200000000, 0.0000060400000000 ] - [ -0.0000560700000000, -0.0000861200000000, 0.0000150100000000 ] - [ 0.0000147300000000, 0.0000665800000000, -0.0000389300000000 ] - [ -0.0000575600000000, -0.0000005600000000, -0.0000952700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003459300000000, -0.0000726300000000, -0.0000177900000000 ] - [ -0.0000866500000000, 0.0001039000000000, 0.0002756000000000 ] - [ 0.0000801800000000, -0.0000509600000000, 0.0000234600000000 ] - [ -0.0002903800000000, -0.0002392800000000, -0.0002211100000000 ] - [ -0.0000846800000000, 0.0000704800000000, -0.0000319400000000 ] - [ -0.0000070400000000, 0.0001119100000000, -0.0000218800000000 ] - [ 0.0001847400000000, 0.0000074500000000, -0.0000751200000000 ] - [ 0.0006198600000000, -0.0015816800000000, -0.0001506300000000 ] - [ 0.0000897100000000, 0.0000701900000000, -0.0000501100000000 ] - [ -0.0000443100000000, 0.0000902800000000, 0.0000077100000000 ] - [ 0.0001558900000000, -0.0000909500000000, 0.0001155300000000 ] - [ -0.0000372700000000, -0.0000818200000000, 0.0000222500000000 ] - [ -0.0002540000000000, 0.0001470000000000, -0.0003453600000000 ] - [ -0.0000127600000000, -0.0000893500000000, 0.0000915300000000 ] - [ -0.0016085400000000, -0.0001724800000000, -0.0003534800000000 ] - [ -0.0001760800000000, 0.0001808400000000, -0.0000697700000000 ] - [ 0.0060400000000000, -0.0025752100000000, 0.0042488700000000 ] - [ -0.0055389600000000, 0.0017054100000000, 0.0011907400000000 ] - [ 0.0002131900000000, -0.0001389200000000, -0.0002117600000000 ] - [ 0.0024159300000000, 0.0021326300000000, -0.0013040100000000 ] - [ 0.0001102700000000, -0.0001787500000000, 0.0001360900000000 ] - [ -0.0000354700000000, -0.0001854400000000, -0.0001424200000000 ] - [ -0.0008521400000000, -0.0000878200000000, 0.0002754500000000 ] - [ 0.0001721500000000, 0.0001598800000000, 0.0002210300000000 ] - [ -0.0000681200000000, -0.0002006800000000, 0.0003478300000000 ] - [ 0.0001208900000000, -0.0000855200000000, -0.0000380300000000 ] - [ 0.0001506900000000, 0.0001106300000000, 0.0001511700000000 ] - [ 0.0002546300000000, -0.0001984000000000, -0.0001889200000000 ] - [ -0.0000495200000000, 0.0001285600000000, -0.0001668900000000 ] - [ 0.0000700100000000, 0.0001592200000000, 0.0002788700000000 ] - [ 0.0000529300000000, 0.0003992100000000, -0.0002496600000000 ] - [ -0.0000551100000000, -0.0000661100000000, -0.0000192500000000 ] - [ -0.1111758000000000, 0.0060722300000000, -0.0061875600000000 ] - [ 0.0011746800000000, -0.0012381100000000, -0.0004909600000000 ] - [ 0.0000632400000000, 0.0001138000000000, -0.0000230000000000 ] - [ 0.0089033400000000, 0.0038007200000000, -0.0074798700000000 ] - [ -0.0002165900000000, -0.0000085800000000, 0.0000297000000000 ] - [ 0.0003058200000000, 0.0000290200000000, 0.0000552700000000 ] - [ -0.0000753500000000, 0.0002599900000000, -0.0000411100000000 ] - [ 0.0000733300000000, -0.0001764400000000, -0.0000210500000000 ] - [ -0.0002319200000000, -0.0002452700000000, 0.0002203900000000 ] - [ 0.0001975400000000, 0.0007787000000000, -0.0006001600000000 ] - [ 0.0006913400000000, -0.0007886800000000, 0.0000389600000000 ] - [ -0.0000113500000000, -0.0000941500000000, -0.0000787600000000 ] - [ 0.0000583500000000, 0.0001743200000000, -0.0001294500000000 ] - [ -0.0000368500000000, 0.0003417400000000, -0.0002702400000000 ] - [ 0.0002713100000000, -0.0007762900000000, 0.0000927900000000 ] - [ -0.0003236700000000, 0.0003192600000000, -0.0001664300000000 ] - [ 0.0097567900000000, 0.0031234000000000, -0.0040984400000000 ] - [ 0.0000330000000000, -0.0002821600000000, -0.0002131500000000 ] - [ -0.0003330100000000, 0.0000853900000000, 0.0000748300000000 ] - [ 0.0000997500000000, -0.0003240200000000, -0.0000057100000000 ] - [ -0.0009505900000000, -0.0009628700000000, -0.0006868700000000 ] - [ 0.0000239800000000, 0.0004166700000000, 0.0000608000000000 ] - [ 0.0738733900000000, 0.0113139100000000, 0.0243143400000000 ] - [ -0.0003220100000000, -0.0000724600000000, -0.0001547500000000 ] - [ 0.0005261000000000, 0.0003839900000000, -0.0003002800000000 ] - [ -0.0003965500000000, -0.0001970500000000, -0.0001442800000000 ] - [ 0.0004757300000000, -0.0000285800000000, -0.0000342600000000 ] - [ -0.0000980100000000, 0.0001602400000000, 0.0002109500000000 ] - [ -0.0001301500000000, -0.0001937500000000, 0.0005934700000000 ] - [ -0.0000793700000000, -0.0002405600000000, -0.0002234600000000 ] - [ -0.0009048700000000, 0.0003411800000000, 0.0005310700000000 ] - [ 0.0004285800000000, 0.0000833400000000, -0.0000835000000000 ] - [ 0.0002151000000000, -0.0000323100000000, 0.0000634100000000 ] - [ 0.0001860600000000, 0.0000968800000000, -0.0000139300000000 ] - [ 0.0147713000000000, -0.0150981800000000, -0.0133534000000000 ] - [ -0.0001493800000000, 0.0000715900000000, -0.0000103600000000 ] - [ -0.0002474400000000, 0.0001102700000000, -0.0001710100000000 ] - [ -0.0002026300000000, -0.0000773500000000, 0.0000967100000000 ] - [ 0.0000766900000000, 0.0000310600000000, 0.0000235600000000 ] - [ -0.0000993700000000, -0.0000138700000000, 0.0004355800000000 ] - [ 0.0000992700000000, 0.0001782100000000, -0.0002138700000000 ] - [ -0.0001479800000000, 0.0001122000000000, -0.0002950600000000 ] - [ 0.0004502800000000, -0.0000397400000000, -0.0000717400000000 ] - [ -0.0000513700000000, 0.0002061200000000, 0.0002310700000000 ] - [ 0.0002823000000000, -0.0000922300000000, 0.0002158600000000 ] - [ -0.0003426200000000, -0.0002767500000000, 0.0000898100000000 ] - [ -0.0001484200000000, -0.0001493000000000, 0.0002307300000000 ] - [ 0.0007698800000000, -0.0005595900000000, 0.0003691700000000 ] - [ -0.0001256900000000, -0.0000655200000000, 0.0002147200000000 ] - [ 0.0007132400000000, 0.0000927100000000, -0.0000557700000000 ] - [ -0.0004543900000000, -0.0000111300000000, 0.0003185100000000 ] - [ 0.0002090900000000, -0.0001813600000000, -0.0000707900000000 ] - [ 0.0000468500000000, -0.0002399500000000, -0.0000632600000000 ] - [ 0.0001734600000000, 0.0000546300000000, 0.0006743300000000 ] - [ -0.0000406000000000, 0.0003895200000000, -0.0004553600000000 ] - [ 0.0006061300000000, 0.0003547100000000, -0.0003676900000000 ] - [ -0.0001012600000000, 0.0000315600000000, -0.0000200800000000 ] - [ -0.0001465000000000, -0.0001126500000000, 0.0000788500000000 ] - [ 0.0004966700000000, 0.0012357800000000, 0.0007944800000000 ] - [ 0.0002205500000000, 0.0000581200000000, -0.0000001200000000 ] - [ -0.0003130600000000, -0.0000208700000000, -0.0000199400000000 ] - [ 0.0002130900000000, -0.0000310200000000, 0.0000207100000000 ] - [ 0.0003930700000000, -0.0015692700000000, -0.0005425800000000 ] - [ 0.0001235400000000, -0.0004938900000000, -0.0000947600000000 ] - [ 0.0001993500000000, -0.0000020800000000, -0.0000021400000000 ] - [ 0.0000781100000000, 0.0000351600000000, 0.0001546900000000 ] - [ -0.0003513100000000, -0.0000353500000000, 0.0002962600000000 ] - [ -0.0000827100000000, -0.0002711500000000, -0.0002853400000000 ] - [ 0.0001923900000000, 0.0001951800000000, -0.0001386400000000 ] - [ -0.0001250100000000, 0.0001301400000000, 0.0001187100000000 ] - [ -0.0002545600000000, -0.0007755800000000, 0.0002945200000000 ] - [ -0.0000496900000000, 0.0003155000000000, 0.0000532100000000 ] - [ -0.0000828200000000, -0.0003383000000000, 0.0000577800000000 ] - [ 0.0003075800000000, -0.0000925100000000, 0.0001265900000000 ] - [ -0.0011097900000000, 0.0007246500000000, 0.0005771300000000 ] - [ -0.0001797700000000, -0.0057064200000000, 0.0014876200000000 ] - [ -0.0001221700000000, 0.0002581800000000, -0.0001395800000000 ] - [ 0.0001176600000000, 0.0001184000000000, 0.0001683500000000 ] - [ 0.0002884900000000, 0.0000873200000000, -0.0000574300000000 ] - [ -0.0003350900000000, -0.0003659500000000, 0.0001045400000000 ] - [ 0.0000059900000000, 0.0005804000000000, -0.0000934700000000 ] - [ -0.0003339800000000, 0.0001243000000000, 0.0000913300000000 ] - [ 0.0004886600000000, 0.0001119500000000, -0.0002803900000000 ] - [ -0.0002309500000000, 0.0003381500000000, 0.0000707800000000 ] - [ 0.0001278800000000, -0.0003112000000000, 0.0000747900000000 ] - [ -0.0000650500000000, -0.0003395900000000, 0.0000086300000000 ] - [ -0.0004032100000000, -0.0002529500000000, 0.0001886100000000 ] - [ 0.0002809800000000, 0.0000202800000000, 0.0001039200000000 ] - [ 0.0001776200000000, 0.0000658200000000, -0.0002752600000000 ] - [ -0.0000166600000000, 0.0000450000000000, -0.0000073900000000 ] - [ -0.0000394300000000, -0.0001274800000000, 0.0000540000000000 ] - [ 0.0003237900000000, -0.0001226900000000, 0.0007987700000000 ] - [ 0.0000165200000000, -0.0001167500000000, -0.0000770200000000 ] - [ -0.0000073000000000, -0.0001364700000000, -0.0000219100000000 ] - [ 0.0000734500000000, 0.0001772100000000, -0.0000578000000000 ] - [ 0.0000890100000000, 0.0000579700000000, 0.0000511900000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002425000000000, 0.0001721800000000, 0.0000163600000000 ] - [ -0.0000201300000000, 0.0000031400000000, -0.0002658400000000 ] - [ 0.0000228400000000, -0.0000527600000000, -0.0000228900000000 ] - [ 0.0001857700000000, 0.0001398200000000, 0.0002224900000000 ] - [ -0.0000195600000000, -0.0001749500000000, 0.0000317300000000 ] - [ 0.0001108300000000, -0.0002187700000000, 0.0000212000000000 ] - [ -0.0002898700000000, 0.0000979200000000, 0.0000771600000000 ] - [ -0.0005109700000000, 0.0017045200000000, 0.0001516300000000 ] - [ 0.0000133500000000, 0.0000342300000000, 0.0000494600000000 ] - [ -0.0000586800000000, 0.0000131000000000, -0.0000081300000000 ] - [ -0.0000518800000000, -0.0000117900000000, -0.0001169100000000 ] - [ -0.0000660100000000, -0.0000217000000000, -0.0000222300000000 ] - [ 0.0001530900000000, -0.0002525800000000, 0.0003464400000000 ] - [ 0.0001131100000000, -0.0000146300000000, -0.0000913900000000 ] - [ 0.0015062100000000, 0.0002830400000000, 0.0003612300000000 ] - [ 0.0002803500000000, -0.0000767300000000, 0.0000687500000000 ] - [ -0.0057630600000000, 0.0032150900000000, -0.0049133000000000 ] - [ 0.0052367600000000, -0.0014630900000000, -0.0016575000000000 ] - [ 0.0001387900000000, -0.0000732400000000, -0.0002285800000000 ] - [ -0.0025870000000000, -0.0018099200000000, 0.0016914000000000 ] - [ 0.0001022300000000, -0.0001735200000000, 0.0003054900000000 ] - [ -0.0001771600000000, -0.0001661200000000, -0.0002990800000000 ] - [ 0.0005080200000000, -0.0001215700000000, 0.0001789600000000 ] - [ 0.0001787600000000, 0.0000524400000000, 0.0002194600000000 ] - [ -0.0001485100000000, -0.0001448900000000, 0.0000881500000000 ] - [ 0.0002061300000000, -0.0001336000000000, 0.0004926100000000 ] - [ -0.0004942600000000, 0.0001053900000000, 0.0002840100000000 ] - [ -0.0000436500000000, -0.0001530800000000, -0.0002463500000000 ] - [ -0.0001640200000000, 0.0002233500000000, -0.0002726800000000 ] - [ 0.0001425000000000, 0.0001920900000000, 0.0001620200000000 ] - [ 0.0003058200000000, -0.0001889700000000, -0.0001879200000000 ] - [ -0.0002935800000000, -0.0001438500000000, -0.0004191500000000 ] - [ 0.1136379000000000, -0.0060425000000000, 0.0077456500000000 ] - [ -0.0013583800000000, 0.0009008300000000, 0.0004576300000000 ] - [ 0.0000874100000000, 0.0002263900000000, -0.0000160200000000 ] - [ -0.0085639700000000, -0.0035788300000000, 0.0075580100000000 ] - [ -0.0001224000000000, -0.0001427700000000, 0.0000096400000000 ] - [ 0.0000336800000000, -0.0001798500000000, -0.0000942200000000 ] - [ -0.0000760100000000, 0.0000789200000000, 0.0000791300000000 ] - [ 0.0000783700000000, -0.0001615500000000, 0.0000601900000000 ] - [ 0.0005771500000000, 0.0000871800000000, -0.0001766800000000 ] - [ -0.0000610700000000, -0.0004446300000000, 0.0006312000000000 ] - [ -0.0008323700000000, 0.0004346900000000, -0.0000077500000000 ] - [ -0.0003293900000000, -0.0000603200000000, 0.0000422300000000 ] - [ 0.0002803900000000, -0.0000224500000000, 0.0000906900000000 ] - [ -0.0003033200000000, -0.0001909800000000, 0.0003091800000000 ] - [ -0.0001180000000000, 0.0004387800000000, -0.0001343200000000 ] - [ 0.0001697600000000, 0.0000270300000000, 0.0001310000000000 ] - [ -0.0100748800000000, -0.0038859200000000, 0.0042025300000000 ] - [ 0.0006414500000000, 0.0001670400000000, 0.0003773700000000 ] - [ -0.0003355300000000, 0.0000475800000000, 0.0000800700000000 ] - [ 0.0000349300000000, -0.0003444900000000, -0.0001496500000000 ] - [ 0.0008259100000000, 0.0016395700000000, 0.0005375900000000 ] - [ 0.0001129700000000, 0.0002512500000000, 0.0000923100000000 ] - [ -0.0759789200000000, -0.0115813200000000, -0.0260762900000000 ] - [ -0.0003477700000000, -0.0000626200000000, -0.0000022000000000 ] - [ -0.0003949600000000, 0.0002849200000000, 0.0001403500000000 ] - [ -0.0002756000000000, 0.0003298900000000, -0.0000092700000000 ] - [ 0.0001944100000000, -0.0001045800000000, -0.0001193600000000 ] - [ -0.0000424300000000, 0.0005075800000000, -0.0000456000000000 ] - [ 0.0002681500000000, -0.0004746200000000, -0.0004302300000000 ] - [ -0.0000546300000000, -0.0004276400000000, 0.0000657300000000 ] - [ 0.0002477700000000, -0.0004864500000000, -0.0003601000000000 ] - [ 0.0002394100000000, 0.0000510800000000, 0.0002378900000000 ] - [ -0.0000213300000000, 0.0000310700000000, -0.0000642700000000 ] - [ -0.0001846000000000, 0.0000967000000000, 0.0000133200000000 ] - [ -0.0147068800000000, 0.0151751600000000, 0.0135708100000000 ] - [ -0.0000449300000000, -0.0000754700000000, 0.0000123300000000 ] - [ 0.0000560400000000, -0.0001071600000000, 0.0001709300000000 ] - [ 0.0002028100000000, -0.0001204900000000, -0.0000968900000000 ] - [ -0.0000777000000000, 0.0001599600000000, -0.0000251600000000 ] - [ 0.0002883000000000, 0.0000111100000000, -0.0004309700000000 ] - [ 0.0001133300000000, 0.0001745100000000, -0.0002260700000000 ] - [ -0.0002034100000000, 0.0000996000000000, -0.0001446800000000 ] - [ -0.0000947100000000, -0.0001713000000000, -0.0003770000000000 ] - [ -0.0001616000000000, 0.0001450500000000, 0.0002103800000000 ] - [ -0.0000744000000000, -0.0002615100000000, 0.0002255100000000 ] - [ 0.0001327900000000, -0.0000759000000000, -0.0005343900000000 ] - [ -0.0002028100000000, -0.0000631100000000, 0.0002087900000000 ] - [ -0.0004254600000000, 0.0007778900000000, 0.0000695800000000 ] - [ -0.0000850800000000, -0.0002872800000000, 0.0002257900000000 ] - [ -0.0003643900000000, -0.0003051500000000, 0.0005003300000000 ] - [ 0.0001010000000000, 0.0002240400000000, 0.0001246800000000 ] - [ 0.0000029900000000, -0.0001681600000000, -0.0003713400000000 ] - [ -0.0002609500000000, 0.0005874300000000, -0.0003788500000000 ] - [ 0.0000388800000000, 0.0002931200000000, -0.0002364700000000 ] - [ 0.0003918700000000, -0.0001771500000000, 0.0000179700000000 ] - [ -0.0009544000000000, -0.0005661500000000, -0.0000752200000000 ] - [ -0.0002362500000000, 0.0001197100000000, -0.0000193900000000 ] - [ -0.0000058700000000, -0.0002252100000000, -0.0001172600000000 ] - [ -0.0003363100000000, -0.0009032500000000, -0.0008128600000000 ] - [ 0.0001201500000000, 0.0000925500000000, 0.0000394700000000 ] - [ -0.0000273200000000, -0.0001325300000000, 0.0000551500000000 ] - [ 0.0001257400000000, -0.0001196100000000, -0.0000571400000000 ] - [ -0.0005823400000000, 0.0019103900000000, 0.0006152800000000 ] - [ 0.0000340700000000, 0.0001559200000000, 0.0001318800000000 ] - [ 0.0001374800000000, -0.0001509800000000, 0.0000408000000000 ] - [ 0.0000734700000000, 0.0003025300000000, -0.0001176000000000 ] - [ 0.0001986600000000, -0.0003025600000000, -0.0002564900000000 ] - [ -0.0002555400000000, 0.0001190200000000, 0.0002464700000000 ] - [ 0.0001478400000000, -0.0000467400000000, 0.0000994600000000 ] - [ -0.0002133700000000, 0.0000211900000000, -0.0000798200000000 ] - [ 0.0004180100000000, 0.0004393400000000, -0.0003376200000000 ] - [ -0.0001010900000000, 0.0000232100000000, -0.0000937600000000 ] - [ -0.0000527100000000, -0.0003309600000000, 0.0000976500000000 ] - [ 0.0003614000000000, -0.0000423500000000, 0.0000294000000000 ] - [ 0.0004426700000000, -0.0005838700000000, -0.0004210500000000 ] - [ 0.0002881200000000, 0.0050172700000000, -0.0016541600000000 ] - [ -0.0000132900000000, 0.0004102500000000, -0.0000149000000000 ] - [ 0.0000189000000000, 0.0005535900000000, -0.0000149800000000 ] - [ 0.0003796400000000, 0.0000471900000000, -0.0000978200000000 ] - [ -0.0003374200000000, 0.0002302500000000, -0.0002598000000000 ] - [ 0.0001311000000000, 0.0000888000000000, -0.0000635100000000 ] - [ -0.0003354700000000, 0.0000089400000000, -0.0002487600000000 ] - [ 0.0001789500000000, -0.0002456100000000, 0.0001210700000000 ] - [ 0.0000953400000000, 0.0003317400000000, 0.0000850400000000 ] - [ 0.0000072600000000, -0.0003564300000000, 0.0000803000000000 ] - [ -0.0000692200000000, -0.0003284900000000, -0.0001639300000000 ] - [ -0.0002644500000000, 0.0001214900000000, -0.0000350500000000 ] - [ 0.0003896400000000, 0.0001146000000000, 0.0000509800000000 ] - [ 0.0000157400000000, -0.0000751400000000, 0.0002737400000000 ] - [ 0.0000163700000000, 0.0001480000000000, 0.0000060500000000 ] - [ 0.0000385400000000, -0.0000658400000000, -0.0000537300000000 ] - [ -0.0005158200000000, 0.0001178400000000, -0.0007900200000000 ] - [ -0.0002078200000000, 0.0001178700000000, 0.0000748500000000 ] - [ 0.0000068600000000, -0.0000573600000000, 0.0000226600000000 ] - [ -0.0000748000000000, 0.0000153400000000, 0.0000584000000000 ] - [ 0.0001040600000000, -0.0000586700000000, -0.0000513500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001744300000000, -0.0007758000000000, 0.0003232800000000 ] - [ 0.0001454100000000, 0.0004526400000000, -0.0002494800000000 ] - [ 0.0000578200000000, -0.0000454900000000, 0.0000217700000000 ] - [ -0.0001092400000000, -0.0001932800000000, -0.0002155500000000 ] - [ -0.0000529300000000, -0.0000282500000000, 0.0000097800000000 ] - [ 0.0000253600000000, -0.0000522800000000, -0.0000280300000000 ] - [ 0.0000089600000000, 0.0000564700000000, 0.0000210400000000 ] - [ -0.0009098000000000, 0.0005798000000000, -0.0004937200000000 ] - [ 0.0000848900000000, 0.0000308700000000, -0.0000274600000000 ] - [ -0.0000370700000000, 0.0000652900000000, 0.0000079500000000 ] - [ 0.0001344300000000, 0.0000153400000000, 0.0000256900000000 ] - [ -0.0000513600000000, -0.0000858700000000, 0.0000139600000000 ] - [ 0.0000442000000000, 0.0000412900000000, -0.0001072800000000 ] - [ -0.0003481200000000, -0.0001499400000000, 0.0000417000000000 ] - [ -0.0001225500000000, 0.0003642600000000, 0.0001135100000000 ] - [ -0.0001132600000000, 0.0002620300000000, -0.0001749400000000 ] - [ 0.0068722500000000, 0.0747807200000000, -0.0303202100000000 ] - [ 0.0021914400000000, 0.0024257700000000, 0.0034194800000000 ] - [ 0.0001791200000000, -0.0001313700000000, -0.0001969400000000 ] - [ 0.0106766800000000, 0.0058882100000000, -0.0057069900000000 ] - [ 0.0001075700000000, -0.0001503800000000, 0.0002118400000000 ] - [ -0.0000825000000000, -0.0002231000000000, -0.0001921000000000 ] - [ 0.0003176400000000, -0.0004920500000000, 0.0001958500000000 ] - [ 0.0001685100000000, 0.0001322900000000, 0.0002139200000000 ] - [ -0.0001800100000000, -0.0000253000000000, 0.0002538500000000 ] - [ 0.0004750100000000, 0.0003217600000000, -0.0005177200000000 ] - [ -0.0001693000000000, 0.0001866300000000, 0.0004545100000000 ] - [ 0.0001769000000000, -0.0000986100000000, -0.0001336200000000 ] - [ -0.0000575700000000, 0.0001335100000000, -0.0003104200000000 ] - [ 0.0000321800000000, 0.0001447600000000, 0.0001166200000000 ] - [ 0.0001950500000000, 0.0000257900000000, -0.0000929900000000 ] - [ -0.0005223000000000, -0.0000737800000000, -0.0003022200000000 ] - [ 0.0060512500000000, -0.1331476200000000, 0.0035070100000000 ] - [ -0.0005750300000000, 0.0002378800000000, 0.0005886800000000 ] - [ 0.0001558700000000, 0.0000998600000000, 0.0000036700000000 ] - [ -0.0035203200000000, -0.0039394100000000, 0.0040677500000000 ] - [ -0.0002379900000000, -0.0000427700000000, -0.0000260200000000 ] - [ 0.0002769700000000, -0.0000952100000000, 0.0000206100000000 ] - [ -0.0000750700000000, 0.0001712700000000, 0.0000369200000000 ] - [ 0.0000880300000000, -0.0001729300000000, 0.0000230200000000 ] - [ 0.0000043700000000, 0.0000488200000000, 0.0001204500000000 ] - [ 0.0004679400000000, 0.0009452500000000, 0.0001949600000000 ] - [ -0.0004587500000000, -0.0000399600000000, 0.0000273900000000 ] - [ -0.0001549800000000, -0.0001938200000000, 0.0000224400000000 ] - [ 0.0000723800000000, 0.0000190300000000, -0.0000676400000000 ] - [ 0.0000933600000000, 0.0001321900000000, -0.0000186500000000 ] - [ -0.0000046300000000, -0.0005067200000000, 0.0001103700000000 ] - [ 0.0000097700000000, 0.0001954600000000, -0.0001343500000000 ] - [ 0.0024170500000000, 0.0018040300000000, -0.0020633800000000 ] - [ 0.0002342400000000, -0.0001692100000000, 0.0003304900000000 ] - [ -0.0003375200000000, 0.0000911300000000, 0.0000932400000000 ] - [ 0.0001124900000000, -0.0003608000000000, -0.0000743800000000 ] - [ 0.0000970300000000, 0.0004848200000000, 0.0000382300000000 ] - [ -0.0000220300000000, 0.0002988400000000, 0.0000564500000000 ] - [ -0.0036516400000000, 0.0082711000000000, -0.0051812400000000 ] - [ -0.0003170100000000, -0.0001192000000000, -0.0000841300000000 ] - [ -0.0000572000000000, 0.0001216900000000, -0.0002839100000000 ] - [ -0.0001118900000000, 0.0000516800000000, -0.0001685100000000 ] - [ 0.0003109900000000, 0.0000938300000000, -0.0000360400000000 ] - [ -0.0002881800000000, 0.0002794800000000, 0.0002215400000000 ] - [ 0.0000679700000000, 0.0003547800000000, 0.0002150500000000 ] - [ -0.0000600300000000, -0.0003768100000000, -0.0001630300000000 ] - [ -0.0004599400000000, 0.0000095900000000, -0.0010242300000000 ] - [ 0.0004110900000000, 0.0001007100000000, 0.0000202700000000 ] - [ 0.0001276900000000, 0.0000010300000000, -0.0000158900000000 ] - [ -0.0001063000000000, 0.0000463300000000, 0.0000711700000000 ] - [ -0.0175998700000000, 0.0420690000000000, 0.0342893000000000 ] - [ -0.0000419100000000, 0.0001938400000000, -0.0000369200000000 ] - [ -0.0001474300000000, 0.0002080000000000, -0.0002535300000000 ] - [ -0.0000497200000000, 0.0006068700000000, 0.0003636700000000 ] - [ 0.0001461500000000, 0.0001416000000000, -0.0001382400000000 ] - [ 0.0000291300000000, 0.0000531100000000, -0.0000453400000000 ] - [ 0.0001299300000000, 0.0002018700000000, -0.0002069200000000 ] - [ -0.0001144700000000, 0.0000723600000000, -0.0002192800000000 ] - [ 0.0006952600000000, -0.0004040800000000, -0.0004491600000000 ] - [ -0.0001464900000000, 0.0002059300000000, 0.0002156000000000 ] - [ -0.0002630100000000, -0.0001984900000000, 0.0003885600000000 ] - [ 0.0000926300000000, -0.0002503800000000, 0.0000096200000000 ] - [ -0.0001684100000000, -0.0001012700000000, 0.0001809100000000 ] - [ -0.0004591600000000, 0.0009705300000000, 0.0002357800000000 ] - [ -0.0001981400000000, -0.0001644700000000, 0.0003742200000000 ] - [ 0.0004802500000000, 0.0000553100000000, -0.0000056200000000 ] - [ -0.0002141900000000, 0.0000138800000000, 0.0001252100000000 ] - [ -0.0000444100000000, -0.0001556400000000, -0.0003274600000000 ] - [ -0.0002403100000000, 0.0005809900000000, -0.0002866800000000 ] - [ 0.0002303900000000, 0.0002513400000000, 0.0002664400000000 ] - [ 0.0000932800000000, 0.0003276200000000, -0.0002996000000000 ] - [ -0.0004101700000000, -0.0003679800000000, 0.0000281400000000 ] - [ -0.0002148400000000, 0.0000122500000000, -0.0000107700000000 ] - [ -0.0001560300000000, -0.0001828900000000, 0.0000109400000000 ] - [ 0.0005796000000000, 0.0014258100000000, 0.0003869700000000 ] - [ 0.0001874800000000, 0.0000544100000000, 0.0000203600000000 ] - [ -0.0002252700000000, -0.0000491400000000, -0.0000124300000000 ] - [ 0.0002149000000000, 0.0000003100000000, -0.0000191900000000 ] - [ 0.0002889400000000, 0.0006565700000000, -0.0002150900000000 ] - [ 0.0004996600000000, -0.0001197900000000, -0.0003518300000000 ] - [ 0.0002451300000000, 0.0000206300000000, 0.0000368500000000 ] - [ 0.0000369300000000, -0.0001029900000000, 0.0000471200000000 ] - [ -0.0000387600000000, -0.0001672500000000, 0.0000807500000000 ] - [ 0.0000250600000000, -0.0000251700000000, -0.0000968400000000 ] - [ 0.0000468100000000, 0.0002071300000000, -0.0003088600000000 ] - [ -0.0001166900000000, 0.0001902300000000, 0.0001180500000000 ] - [ -0.0000075000000000, 0.0000256600000000, 0.0000099100000000 ] - [ 0.0000077600000000, -0.0000757200000000, 0.0000392800000000 ] - [ -0.0000951100000000, -0.0003281200000000, 0.0000886800000000 ] - [ 0.0003281300000000, -0.0001046200000000, 0.0001295800000000 ] - [ 0.0008119300000000, -0.0000589800000000, 0.0005734700000000 ] - [ -0.0046668300000000, -0.0043487300000000, -0.0027561600000000 ] - [ -0.0000161500000000, 0.0003495500000000, -0.0000654300000000 ] - [ 0.0000466400000000, 0.0008216900000000, -0.0003040500000000 ] - [ 0.0003134800000000, 0.0000885300000000, -0.0001285400000000 ] - [ -0.0005278800000000, 0.0001120800000000, -0.0004028900000000 ] - [ 0.0000376400000000, 0.0004161300000000, -0.0000160500000000 ] - [ -0.0003119400000000, 0.0001564700000000, -0.0000197900000000 ] - [ 0.0002611900000000, 0.0000096800000000, 0.0000643400000000 ] - [ 0.0000731300000000, 0.0004156200000000, 0.0001857500000000 ] - [ 0.0000545000000000, -0.0001887300000000, 0.0001469200000000 ] - [ -0.0000091500000000, -0.0004176100000000, -0.0000500700000000 ] - [ -0.0003174200000000, -0.0002460500000000, 0.0001884500000000 ] - [ 0.0002771700000000, 0.0000880500000000, 0.0000495900000000 ] - [ -0.0001645200000000, -0.0000533800000000, -0.0003261200000000 ] - [ 0.0000086800000000, 0.0001074800000000, 0.0000410300000000 ] - [ -0.0000171700000000, -0.0000813900000000, 0.0000619700000000 ] - [ 0.0007413800000000, -0.0008664800000000, 0.0017697100000000 ] - [ -0.0000728300000000, -0.0001411700000000, 0.0001188700000000 ] - [ 0.0000374600000000, -0.0001065900000000, -0.0000382300000000 ] - [ 0.0000516500000000, 0.0000967800000000, 0.0000166300000000 ] - [ 0.0001116500000000, 0.0000235200000000, -0.0000750000000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000755500000000, 0.0008804200000000, -0.0003223500000000 ] - [ -0.0002467500000000, -0.0003646200000000, 0.0002553900000000 ] - [ 0.0000462600000000, -0.0000568300000000, -0.0000208800000000 ] - [ 0.0000029100000000, 0.0000858300000000, 0.0002185000000000 ] - [ -0.0000499800000000, -0.0000753000000000, -0.0000099800000000 ] - [ 0.0000773000000000, -0.0000481200000000, 0.0000282200000000 ] - [ -0.0001100300000000, 0.0000478900000000, -0.0000193100000000 ] - [ 0.0010103800000000, -0.0004747300000000, 0.0004811200000000 ] - [ 0.0000192100000000, 0.0000708200000000, 0.0000266500000000 ] - [ -0.0000673100000000, 0.0000382900000000, -0.0000078800000000 ] - [ -0.0000335400000000, -0.0001184600000000, -0.0000243400000000 ] - [ -0.0000537300000000, -0.0000180800000000, -0.0000140200000000 ] - [ -0.0001460200000000, -0.0001453300000000, 0.0001038400000000 ] - [ 0.0004549400000000, 0.0000502200000000, -0.0000450200000000 ] - [ 0.0000125700000000, -0.0002500900000000, -0.0001094900000000 ] - [ 0.0002230400000000, -0.0001627400000000, 0.0001801400000000 ] - [ -0.0065590900000000, -0.0776088600000000, 0.0317105100000000 ] - [ -0.0026040900000000, -0.0021898000000000, -0.0038537000000000 ] - [ 0.0001727600000000, -0.0000817200000000, -0.0002420900000000 ] - [ -0.0109313100000000, -0.0056381900000000, 0.0062163600000000 ] - [ 0.0001053100000000, -0.0002003800000000, 0.0002300200000000 ] - [ -0.0001301200000000, -0.0001295900000000, -0.0002482000000000 ] - [ -0.0006689600000000, 0.0002835600000000, 0.0002403600000000 ] - [ 0.0001823500000000, 0.0000804200000000, 0.0002259500000000 ] - [ -0.0000319000000000, -0.0003259800000000, 0.0001852400000000 ] - [ -0.0001188700000000, -0.0005249000000000, 0.0009399100000000 ] - [ -0.0001850000000000, 0.0000217400000000, -0.0000141300000000 ] - [ 0.0000356300000000, -0.0002514700000000, -0.0003036800000000 ] - [ -0.0001546200000000, 0.0002189700000000, -0.0001300800000000 ] - [ 0.0001824900000000, 0.0002054900000000, 0.0003253400000000 ] - [ 0.0001566000000000, 0.0001899600000000, -0.0003512100000000 ] - [ 0.0001777300000000, -0.0001440500000000, -0.0001393700000000 ] - [ -0.0060769300000000, 0.1359525400000000, -0.0064505700000000 ] - [ 0.0004337300000000, -0.0005922900000000, -0.0006323700000000 ] - [ -0.0000042200000000, 0.0002381600000000, -0.0000417000000000 ] - [ 0.0038572300000000, 0.0040753800000000, -0.0041014500000000 ] - [ -0.0001012100000000, -0.0001083000000000, 0.0000642100000000 ] - [ 0.0000654200000000, -0.0000558500000000, -0.0000597700000000 ] - [ -0.0000755300000000, 0.0001682000000000, 0.0000016300000000 ] - [ 0.0000642500000000, -0.0001654200000000, 0.0000164400000000 ] - [ 0.0003343400000000, -0.0002022000000000, -0.0000765200000000 ] - [ -0.0003012600000000, -0.0005812500000000, -0.0001554400000000 ] - [ 0.0003105400000000, -0.0002959100000000, 0.0000139200000000 ] - [ -0.0001860000000000, 0.0000417300000000, -0.0000615000000000 ] - [ 0.0002665000000000, 0.0001332100000000, 0.0000288600000000 ] - [ -0.0004366200000000, 0.0000158700000000, 0.0000570900000000 ] - [ 0.0001585500000000, 0.0001686000000000, -0.0001514200000000 ] - [ -0.0001586500000000, 0.0001412600000000, 0.0000995500000000 ] - [ -0.0025339000000000, -0.0024495800000000, 0.0021845500000000 ] - [ 0.0004333400000000, 0.0000320300000000, -0.0001718400000000 ] - [ -0.0003315300000000, 0.0000438600000000, 0.0000622400000000 ] - [ 0.0000218800000000, -0.0003081900000000, -0.0000809400000000 ] - [ -0.0002486600000000, 0.0001757500000000, -0.0002046600000000 ] - [ 0.0001577600000000, 0.0003682400000000, 0.0000985900000000 ] - [ 0.0044640200000000, -0.0081921700000000, 0.0050585700000000 ] - [ -0.0003527800000000, -0.0000163700000000, -0.0000722200000000 ] - [ 0.0001927200000000, 0.0005411200000000, 0.0001280800000000 ] - [ -0.0005553300000000, 0.0000878200000000, 0.0000149800000000 ] - [ 0.0003634200000000, -0.0002315000000000, -0.0001236400000000 ] - [ 0.0001501500000000, 0.0003976600000000, -0.0000715200000000 ] - [ 0.0000673500000000, -0.0010101300000000, -0.0000566100000000 ] - [ -0.0000762600000000, -0.0002930600000000, 0.0000121900000000 ] - [ -0.0002171800000000, -0.0001451800000000, 0.0011732800000000 ] - [ 0.0002576400000000, 0.0000323900000000, 0.0001368400000000 ] - [ 0.0000671900000000, -0.0000015900000000, 0.0000162200000000 ] - [ 0.0001075600000000, 0.0001503600000000, -0.0000739200000000 ] - [ 0.0170613800000000, -0.0416050700000000, -0.0331527000000000 ] - [ -0.0001513100000000, -0.0001945500000000, 0.0000359300000000 ] - [ -0.0000442900000000, -0.0002095100000000, 0.0002513200000000 ] - [ 0.0000481700000000, -0.0008122500000000, -0.0003541000000000 ] - [ -0.0001438000000000, 0.0000502100000000, 0.0001365400000000 ] - [ 0.0001670600000000, -0.0000434500000000, 0.0000392900000000 ] - [ 0.0000840700000000, 0.0001489800000000, -0.0002340700000000 ] - [ -0.0002365200000000, 0.0001394300000000, -0.0002218700000000 ] - [ -0.0003463000000000, 0.0001866600000000, 0.0000019700000000 ] - [ -0.0000677500000000, 0.0001460600000000, 0.0002249900000000 ] - [ 0.0004770600000000, -0.0001494200000000, 0.0000535100000000 ] - [ -0.0003049700000000, -0.0001020800000000, -0.0004478400000000 ] - [ -0.0001830800000000, -0.0001111000000000, 0.0002599100000000 ] - [ 0.0007918100000000, -0.0007639000000000, 0.0001983900000000 ] - [ -0.0000157800000000, -0.0001880000000000, 0.0000656000000000 ] - [ -0.0001298500000000, -0.0002692900000000, 0.0004460900000000 ] - [ -0.0001411600000000, 0.0001937800000000, 0.0003181200000000 ] - [ 0.0002579900000000, -0.0001938900000000, -0.0001119700000000 ] - [ 0.0000314200000000, -0.0002342800000000, -0.0001540700000000 ] - [ -0.0000152400000000, 0.0000899400000000, 0.0001761100000000 ] - [ 0.0002593500000000, -0.0001156100000000, -0.0001406800000000 ] - [ 0.0000660600000000, 0.0001656500000000, -0.0004626100000000 ] - [ -0.0001240800000000, 0.0001383300000000, -0.0000275800000000 ] - [ 0.0000042300000000, -0.0001561000000000, -0.0000495100000000 ] - [ -0.0004292800000000, -0.0011099500000000, -0.0004102300000000 ] - [ 0.0001504300000000, 0.0000964900000000, 0.0000180100000000 ] - [ -0.0001106900000000, -0.0001038100000000, 0.0000531200000000 ] - [ 0.0001240100000000, -0.0001511300000000, -0.0000196100000000 ] - [ -0.0004454100000000, -0.0003211300000000, 0.0002503000000000 ] - [ -0.0003475500000000, -0.0002066200000000, 0.0004005900000000 ] - [ 0.0000935800000000, -0.0001727500000000, 0.0000015600000000 ] - [ 0.0001128300000000, 0.0004442700000000, -0.0000068600000000 ] - [ -0.0001145900000000, -0.0001694700000000, -0.0000367700000000 ] - [ -0.0003622200000000, -0.0001271600000000, 0.0000566600000000 ] - [ 0.0002862900000000, -0.0000643900000000, 0.0002628800000000 ] - [ -0.0002229500000000, -0.0000411000000000, -0.0000794500000000 ] - [ 0.0001558500000000, -0.0003611300000000, -0.0000480500000000 ] - [ -0.0001607300000000, 0.0004151200000000, -0.0000782200000000 ] - [ -0.0000399400000000, -0.0003413300000000, 0.0000676700000000 ] - [ 0.0003414000000000, -0.0000298800000000, 0.0000260700000000 ] - [ -0.0014391600000000, 0.0002245900000000, -0.0004387900000000 ] - [ 0.0048556600000000, 0.0036687600000000, 0.0026061700000000 ] - [ -0.0001177400000000, 0.0003202500000000, -0.0000900700000000 ] - [ 0.0000839000000000, -0.0001532000000000, 0.0004564400000000 ] - [ 0.0003555500000000, 0.0000462500000000, -0.0000271300000000 ] - [ -0.0001425700000000, -0.0002449900000000, 0.0002448800000000 ] - [ 0.0000974400000000, 0.0002524100000000, -0.0001394000000000 ] - [ -0.0003583000000000, -0.0000231800000000, -0.0001366700000000 ] - [ 0.0004102600000000, -0.0001399900000000, -0.0002244300000000 ] - [ -0.0002124200000000, 0.0002538200000000, -0.0000293400000000 ] - [ 0.0000811500000000, -0.0004809400000000, 0.0000091900000000 ] - [ -0.0001265500000000, -0.0002578900000000, -0.0001040500000000 ] - [ -0.0003524000000000, 0.0001133600000000, -0.0000338600000000 ] - [ 0.0003964300000000, 0.0000496400000000, 0.0001033900000000 ] - [ 0.0003590400000000, 0.0000445400000000, 0.0003233600000000 ] - [ -0.0000093800000000, 0.0000873400000000, -0.0000400100000000 ] - [ 0.0000162100000000, -0.0001140700000000, -0.0000618400000000 ] - [ -0.0009558300000000, 0.0008792700000000, -0.0017998400000000 ] - [ -0.0001212200000000, 0.0001406500000000, -0.0001160400000000 ] - [ -0.0000377200000000, -0.0000870400000000, 0.0000370500000000 ] - [ -0.0000520900000000, 0.0000974100000000, -0.0000154200000000 ] - [ 0.0000840700000000, -0.0000231000000000, 0.0000750100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001653000000000, 0.0006968500000000, -0.0000586000000000 ] - [ 0.0003807800000000, -0.0008382100000000, -0.0014376900000000 ] - [ 0.0000791200000000, -0.0000126300000000, -0.0000070200000000 ] - [ 0.0000277900000000, -0.0000147900000000, 0.0002577700000000 ] - [ -0.0000088300000000, -0.0000766400000000, 0.0000421400000000 ] - [ 0.0000478100000000, -0.0000785400000000, -0.0000088300000000 ] - [ -0.0001362100000000, 0.0000945000000000, 0.0000699800000000 ] - [ 0.0002033900000000, 0.0001544800000000, -0.0016989100000000 ] - [ 0.0000408900000000, 0.0000162800000000, 0.0000021100000000 ] - [ -0.0000881100000000, -0.0000102600000000, 0.0000320700000000 ] - [ -0.0000981400000000, -0.0000672900000000, -0.0000785800000000 ] - [ -0.0001255100000000, 0.0000220700000000, -0.0000129200000000 ] - [ -0.0000029500000000, -0.0001139300000000, -0.0000171800000000 ] - [ 0.0003590000000000, -0.0000595100000000, 0.0000577000000000 ] - [ 0.0000072500000000, 0.0004969800000000, 0.0005485400000000 ] - [ 0.0002296500000000, 0.0001200100000000, -0.0000284200000000 ] - [ -0.0016415000000000, -0.0213847700000000, 0.0216429800000000 ] - [ 0.0020917800000000, 0.0009217100000000, 0.0025418200000000 ] - [ 0.0002558500000000, -0.0000670200000000, -0.0001876600000000 ] - [ -0.0072428300000000, -0.0035057200000000, 0.0087452600000000 ] - [ 0.0000675100000000, -0.0001659400000000, 0.0003649600000000 ] - [ -0.0000925100000000, -0.0001678200000000, -0.0003812700000000 ] - [ -0.0011518100000000, -0.0000990500000000, 0.0004115600000000 ] - [ 0.0001545800000000, 0.0000871300000000, 0.0002775100000000 ] - [ -0.0000500600000000, -0.0002543700000000, 0.0002766100000000 ] - [ 0.0000307000000000, -0.0005460000000000, 0.0005067300000000 ] - [ -0.0002412100000000, -0.0001204300000000, 0.0002851900000000 ] - [ 0.0001085200000000, -0.0001240500000000, -0.0001685100000000 ] - [ -0.0000834300000000, 0.0001604500000000, -0.0002083800000000 ] - [ 0.0000869600000000, 0.0002691100000000, 0.0002327500000000 ] - [ 0.0003332800000000, 0.0000614100000000, -0.0000087700000000 ] - [ -0.0001111600000000, -0.0003544900000000, -0.0004885200000000 ] - [ -0.0063056100000000, 0.0048549300000000, -0.1098095100000000 ] - [ -0.0004669300000000, 0.0006145500000000, 0.0006095700000000 ] - [ 0.0001052400000000, 0.0000706000000000, -0.0000115600000000 ] - [ -0.0074068400000000, -0.0040191000000000, 0.0088587200000000 ] - [ -0.0001797600000000, -0.0001203900000000, 0.0000571100000000 ] - [ 0.0000967700000000, -0.0001139900000000, -0.0000358300000000 ] - [ -0.0000576300000000, 0.0001088900000000, 0.0000415400000000 ] - [ 0.0000724400000000, -0.0001294900000000, -0.0000425500000000 ] - [ 0.0003648000000000, 0.0000193300000000, 0.0000865300000000 ] - [ 0.0000696900000000, 0.0001902600000000, 0.0000352300000000 ] - [ 0.0000971400000000, 0.0004484100000000, 0.0000381300000000 ] - [ -0.0002302600000000, -0.0001156500000000, 0.0000694100000000 ] - [ 0.0002796700000000, 0.0000271100000000, -0.0000075800000000 ] - [ 0.0001210500000000, 0.0001134700000000, -0.0000208600000000 ] - [ 0.0001066900000000, 0.0001489600000000, -0.0001230700000000 ] - [ -0.0001313000000000, 0.0000954100000000, 0.0002249000000000 ] - [ -0.0000255600000000, -0.0007376300000000, -0.0022364600000000 ] - [ 0.0006172500000000, 0.0000179900000000, 0.0000543900000000 ] - [ -0.0003011200000000, 0.0001301800000000, 0.0000312900000000 ] - [ 0.0000458400000000, -0.0003034300000000, -0.0001087200000000 ] - [ 0.0002104500000000, 0.0002413400000000, 0.0001501400000000 ] - [ -0.0000627800000000, 0.0003731100000000, -0.0000741300000000 ] - [ 0.0345277300000000, 0.0016441500000000, 0.0197354200000000 ] - [ -0.0003159700000000, -0.0001247000000000, -0.0000892400000000 ] - [ -0.0000717500000000, 0.0002700000000000, 0.0001697500000000 ] - [ -0.0002499200000000, 0.0003261200000000, -0.0002205200000000 ] - [ 0.0002145900000000, -0.0001890200000000, -0.0003146000000000 ] - [ 0.0000794300000000, 0.0005968700000000, -0.0000681800000000 ] - [ 0.0001663900000000, -0.0003513600000000, -0.0002893300000000 ] - [ -0.0000864500000000, -0.0003806300000000, 0.0000526100000000 ] - [ -0.0004164100000000, -0.0007519900000000, 0.0012843300000000 ] - [ 0.0002907600000000, 0.0000349400000000, 0.0001835600000000 ] - [ 0.0001069800000000, 0.0000173100000000, -0.0000702600000000 ] - [ 0.0000197100000000, 0.0001436700000000, -0.0000657700000000 ] - [ -0.0152094000000000, 0.0246561100000000, 0.0463282600000000 ] - [ -0.0001702900000000, 0.0000186600000000, 0.0000744600000000 ] - [ 0.0000876900000000, -0.0002204100000000, 0.0001791400000000 ] - [ -0.0001770000000000, 0.0001674000000000, 0.0001480000000000 ] - [ -0.0001205200000000, 0.0001282300000000, -0.0002448700000000 ] - [ 0.0004094000000000, -0.0000848100000000, -0.0003722100000000 ] - [ 0.0000913800000000, 0.0001511000000000, -0.0002171800000000 ] - [ -0.0001741800000000, 0.0000892700000000, -0.0002328800000000 ] - [ -0.0001959500000000, 0.0000011500000000, -0.0006945800000000 ] - [ -0.0001204700000000, 0.0001036100000000, 0.0002220200000000 ] - [ 0.0000599200000000, -0.0003519900000000, 0.0002314600000000 ] - [ -0.0000541900000000, -0.0002178400000000, -0.0002735700000000 ] - [ -0.0002319200000000, -0.0000820700000000, 0.0002070800000000 ] - [ -0.0005837500000000, 0.0003903900000000, -0.0000867900000000 ] - [ -0.0000347100000000, -0.0002654900000000, 0.0001155800000000 ] - [ -0.0003208300000000, -0.0002125200000000, 0.0005028100000000 ] - [ 0.0000262200000000, 0.0000358400000000, 0.0000803200000000 ] - [ 0.0000865800000000, -0.0001037100000000, -0.0001576800000000 ] - [ 0.0000552800000000, 0.0010597100000000, 0.0002267400000000 ] - [ 0.0002176500000000, 0.0004913900000000, 0.0002209100000000 ] - [ 0.0002200500000000, -0.0001703100000000, -0.0001343900000000 ] - [ -0.0002078700000000, -0.0001261200000000, 0.0001333100000000 ] - [ -0.0001699300000000, 0.0000838200000000, -0.0000291100000000 ] - [ -0.0000981000000000, -0.0001732500000000, -0.0000116900000000 ] - [ 0.0006908900000000, 0.0006410700000000, 0.0006366700000000 ] - [ 0.0001500800000000, 0.0000732200000000, 0.0000450400000000 ] - [ -0.0001324700000000, -0.0001090100000000, -0.0000953500000000 ] - [ 0.0001304600000000, -0.0000754600000000, -0.0000057800000000 ] - [ -0.0003107900000000, -0.0004085600000000, 0.0004262800000000 ] - [ 0.0004567800000000, -0.0000553500000000, -0.0002495600000000 ] - [ 0.0001478600000000, -0.0000572600000000, 0.0000586300000000 ] - [ 0.0000150800000000, 0.0004466300000000, -0.0000213500000000 ] - [ -0.0000477300000000, -0.0003061700000000, -0.0000232900000000 ] - [ -0.0004343400000000, 0.0000027000000000, 0.0000067600000000 ] - [ 0.0002880400000000, -0.0002070300000000, -0.0002373100000000 ] - [ -0.0002689200000000, -0.0000238900000000, -0.0000155200000000 ] - [ 0.0002060800000000, -0.0000558800000000, -0.0001233700000000 ] - [ 0.0000435200000000, 0.0003186900000000, 0.0002260000000000 ] - [ -0.0000541800000000, -0.0003288100000000, 0.0001167500000000 ] - [ 0.0003642400000000, -0.0000925100000000, 0.0000704400000000 ] - [ -0.0009640900000000, 0.0001190500000000, -0.0000397400000000 ] - [ 0.0022844200000000, -0.0039528200000000, 0.0031601400000000 ] - [ 0.0000010200000000, 0.0003075400000000, -0.0000115800000000 ] - [ -0.0003318000000000, 0.0005358400000000, 0.0001935000000000 ] - [ 0.0003539200000000, 0.0001026200000000, -0.0000565500000000 ] - [ -0.0002126300000000, -0.0002517800000000, 0.0000293700000000 ] - [ 0.0000513800000000, 0.0002969400000000, -0.0001014100000000 ] - [ -0.0003672000000000, 0.0000374800000000, -0.0001151600000000 ] - [ 0.0001979100000000, -0.0000488100000000, -0.0000693000000000 ] - [ -0.0000203600000000, 0.0003995400000000, 0.0001306600000000 ] - [ 0.0000296100000000, -0.0005715300000000, 0.0000415200000000 ] - [ -0.0001913400000000, -0.0003474700000000, 0.0000521600000000 ] - [ -0.0002652100000000, 0.0000726500000000, 0.0001164500000000 ] - [ 0.0001459300000000, 0.0001336400000000, 0.0000100900000000 ] - [ 0.0002259100000000, -0.0003690000000000, 0.0001359100000000 ] - [ -0.0000155600000000, 0.0001114800000000, -0.0000072800000000 ] - [ 0.0000103500000000, -0.0000835300000000, 0.0000391800000000 ] - [ 0.0001231500000000, 0.0000151000000000, -0.0000823200000000 ] - [ -0.0001954000000000, 0.0001938300000000, 0.0000340300000000 ] - [ 0.0000214200000000, -0.0000461700000000, 0.0000062000000000 ] - [ -0.0000471400000000, 0.0000319800000000, 0.0000240800000000 ] - [ -0.0000135900000000, -0.0000069000000000, -0.0001190300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002696800000000, -0.0005877900000000, 0.0000642200000000 ] - [ -0.0004813700000000, 0.0009337400000000, 0.0014291200000000 ] - [ 0.0000309600000000, -0.0000958700000000, 0.0000071600000000 ] - [ -0.0001392900000000, -0.0000962800000000, -0.0002586700000000 ] - [ -0.0000977000000000, -0.0000296400000000, -0.0000409000000000 ] - [ 0.0000627500000000, -0.0000296200000000, 0.0000088100000000 ] - [ 0.0000328700000000, 0.0000140900000000, -0.0000696500000000 ] - [ -0.0001064700000000, -0.0000424500000000, 0.0016657000000000 ] - [ 0.0000666600000000, 0.0000898400000000, -0.0000027200000000 ] - [ -0.0000212500000000, 0.0001177900000000, -0.0000312100000000 ] - [ 0.0002034200000000, -0.0000397800000000, 0.0000767000000000 ] - [ 0.0000092600000000, -0.0001349900000000, 0.0000124200000000 ] - [ -0.0000997000000000, 0.0000058000000000, 0.0000151800000000 ] - [ -0.0002500700000000, -0.0000492300000000, -0.0000578200000000 ] - [ -0.0001062800000000, -0.0003799100000000, -0.0005252800000000 ] - [ -0.0001208800000000, -0.0000110900000000, 0.0000283000000000 ] - [ 0.0018845000000000, 0.0211630400000000, -0.0219458600000000 ] - [ -0.0025807200000000, -0.0006713400000000, -0.0029905500000000 ] - [ 0.0000991700000000, -0.0001423600000000, -0.0002501200000000 ] - [ 0.0070159700000000, 0.0038122700000000, -0.0082569500000000 ] - [ 0.0001431300000000, -0.0001884300000000, 0.0000768700000000 ] - [ -0.0001183300000000, -0.0001869900000000, -0.0000601200000000 ] - [ 0.0007997900000000, -0.0000980400000000, 0.0000409900000000 ] - [ 0.0001992400000000, 0.0001227600000000, 0.0001615200000000 ] - [ -0.0001576100000000, -0.0000993600000000, 0.0001652000000000 ] - [ 0.0003264100000000, 0.0003358900000000, -0.0000587900000000 ] - [ -0.0001135100000000, 0.0003295600000000, 0.0001542700000000 ] - [ 0.0001046500000000, -0.0002299200000000, -0.0002762300000000 ] - [ -0.0001258200000000, 0.0001932900000000, -0.0002309600000000 ] - [ 0.0001228800000000, 0.0000853300000000, 0.0002069900000000 ] - [ 0.0000184200000000, 0.0001483600000000, -0.0004328400000000 ] - [ -0.0002429800000000, 0.0001435000000000, 0.0000486800000000 ] - [ 0.0075927700000000, -0.0050740700000000, 0.1085088500000000 ] - [ 0.0003351400000000, -0.0009918700000000, -0.0006761000000000 ] - [ 0.0000399500000000, 0.0002655300000000, -0.0000309800000000 ] - [ 0.0076312600000000, 0.0041450100000000, -0.0086196200000000 ] - [ -0.0001587200000000, -0.0000250100000000, -0.0000154700000000 ] - [ 0.0002451500000000, -0.0000284800000000, -0.0000047100000000 ] - [ -0.0000877400000000, 0.0002285900000000, 0.0000008400000000 ] - [ 0.0000739900000000, -0.0002095200000000, 0.0000846200000000 ] - [ -0.0000334600000000, -0.0001728300000000, -0.0000411400000000 ] - [ 0.0000784900000000, 0.0001426700000000, 0.0000065300000000 ] - [ -0.0002484300000000, -0.0007817700000000, 0.0000093500000000 ] - [ -0.0001076500000000, -0.0000270300000000, -0.0001111300000000 ] - [ 0.0000583200000000, 0.0001189700000000, -0.0000352600000000 ] - [ -0.0004576800000000, 0.0000327800000000, 0.0000688400000000 ] - [ 0.0000434200000000, -0.0004826500000000, 0.0000783400000000 ] - [ -0.0000084500000000, 0.0002416000000000, -0.0002702300000000 ] - [ -0.0000935000000000, 0.0000846600000000, 0.0023512700000000 ] - [ 0.0000534700000000, -0.0001464800000000, 0.0000949600000000 ] - [ -0.0003684200000000, 0.0000045300000000, 0.0001236700000000 ] - [ 0.0000869700000000, -0.0003645400000000, -0.0000447600000000 ] - [ -0.0003667200000000, 0.0004148600000000, -0.0003186200000000 ] - [ 0.0001947900000000, 0.0002950400000000, 0.0002268900000000 ] - [ -0.0345095900000000, -0.0016405900000000, -0.0200722700000000 ] - [ -0.0003531600000000, -0.0000110100000000, -0.0000649200000000 ] - [ 0.0002074800000000, 0.0004050300000000, -0.0003304200000000 ] - [ -0.0004206100000000, -0.0001987100000000, 0.0000672800000000 ] - [ 0.0004547000000000, 0.0000546000000000, 0.0001583200000000 ] - [ -0.0002144700000000, 0.0000736300000000, 0.0002214400000000 ] - [ -0.0000349000000000, -0.0003151200000000, 0.0004424000000000 ] - [ -0.0000475300000000, -0.0002871500000000, -0.0002078000000000 ] - [ -0.0002540100000000, 0.0006334700000000, -0.0011449400000000 ] - [ 0.0003774100000000, 0.0000979800000000, -0.0000275400000000 ] - [ 0.0000747300000000, -0.0000161800000000, 0.0000695300000000 ] - [ -0.0000188500000000, 0.0000400400000000, 0.0000645500000000 ] - [ 0.0144624800000000, -0.0236771900000000, -0.0452105400000000 ] - [ -0.0000118600000000, -0.0000169300000000, -0.0000717300000000 ] - [ -0.0002670000000000, 0.0002224900000000, -0.0001801400000000 ] - [ 0.0001766900000000, -0.0003460200000000, -0.0001460400000000 ] - [ 0.0001212700000000, 0.0000612200000000, 0.0002458500000000 ] - [ -0.0002310500000000, 0.0000890700000000, 0.0003792700000000 ] - [ 0.0001189900000000, 0.0002021800000000, -0.0002228200000000 ] - [ -0.0001798500000000, 0.0001206900000000, -0.0002067500000000 ] - [ 0.0005501800000000, -0.0002085200000000, 0.0002506200000000 ] - [ -0.0000902800000000, 0.0002506900000000, 0.0002180700000000 ] - [ 0.0001472000000000, -0.0000040500000000, 0.0002063100000000 ] - [ -0.0001583900000000, -0.0001387400000000, -0.0001617300000000 ] - [ -0.0001240000000000, -0.0001270900000000, 0.0002309400000000 ] - [ 0.0009279300000000, -0.0001694800000000, 0.0005106900000000 ] - [ -0.0001762300000000, -0.0000897800000000, 0.0003241900000000 ] - [ 0.0006719800000000, 0.0000014700000000, -0.0000601900000000 ] - [ -0.0003806200000000, 0.0001782200000000, 0.0003584900000000 ] - [ 0.0001233900000000, -0.0002518400000000, -0.0002825100000000 ] - [ -0.0002658500000000, -0.0007162800000000, -0.0006521600000000 ] - [ -0.0000034500000000, -0.0001395800000000, 0.0002093500000000 ] - [ 0.0001334000000000, 0.0003793700000000, -0.0003050800000000 ] - [ -0.0001446600000000, -0.0000870100000000, -0.0005761200000000 ] - [ -0.0001682600000000, 0.0000621200000000, -0.0000124700000000 ] - [ -0.0000472500000000, -0.0001655200000000, -0.0000309900000000 ] - [ -0.0005352200000000, -0.0003082300000000, -0.0006491800000000 ] - [ 0.0001887300000000, 0.0000709600000000, -0.0000039900000000 ] - [ -0.0002068100000000, -0.0000382000000000, 0.0001381300000000 ] - [ 0.0002080700000000, -0.0000695700000000, -0.0000359500000000 ] - [ 0.0001596500000000, 0.0007478400000000, -0.0003846200000000 ] - [ -0.0003007600000000, -0.0002812400000000, 0.0002857700000000 ] - [ 0.0001899500000000, -0.0000874900000000, -0.0000159500000000 ] - [ 0.0001277700000000, -0.0001070200000000, 0.0000641200000000 ] - [ -0.0000967200000000, -0.0000335100000000, 0.0000617900000000 ] - [ 0.0000982700000000, -0.0001457900000000, -0.0000485200000000 ] - [ 0.0000496300000000, 0.0003593400000000, 0.0001781200000000 ] - [ -0.0000696900000000, 0.0001684800000000, 0.0000580800000000 ] - [ -0.0000603500000000, -0.0002819700000000, 0.0000778400000000 ] - [ -0.0001856000000000, 0.0000204600000000, -0.0002688100000000 ] - [ -0.0000785800000000, -0.0003383800000000, 0.0000376300000000 ] - [ 0.0003054400000000, -0.0000418000000000, 0.0000846000000000 ] - [ 0.0002821300000000, 0.0000103400000000, 0.0002203100000000 ] - [ -0.0021421800000000, 0.0032371300000000, -0.0032979800000000 ] - [ -0.0001344600000000, 0.0003607100000000, -0.0001426100000000 ] - [ 0.0004605800000000, 0.0001324800000000, -0.0000388700000000 ] - [ 0.0003153900000000, 0.0000316100000000, -0.0000981600000000 ] - [ -0.0004559300000000, 0.0001136900000000, -0.0001837100000000 ] - [ 0.0000840300000000, 0.0003724100000000, -0.0000551200000000 ] - [ -0.0003018700000000, 0.0000937900000000, -0.0000403700000000 ] - [ 0.0004702800000000, -0.0000902900000000, -0.0000846100000000 ] - [ -0.0001119100000000, 0.0002677900000000, 0.0000270900000000 ] - [ 0.0001037900000000, -0.0000989800000000, 0.0001124400000000 ] - [ 0.0000554600000000, -0.0003198100000000, -0.0002029700000000 ] - [ -0.0004034500000000, -0.0002050500000000, 0.0000385400000000 ] - [ 0.0005198400000000, -0.0000025700000000, 0.0001466500000000 ] - [ -0.0000399200000000, 0.0003618200000000, -0.0001392400000000 ] - [ 0.0000154700000000, 0.0000733600000000, 0.0000076800000000 ] - [ -0.0000112400000000, -0.0001006600000000, -0.0000396600000000 ] - [ -0.0003085200000000, -0.0000165500000000, 0.0000875200000000 ] - [ 0.0000099200000000, -0.0001943200000000, -0.0000325600000000 ] - [ -0.0000221100000000, -0.0001375500000000, -0.0000063100000000 ] - [ 0.0000465700000000, 0.0001513800000000, -0.0000246700000000 ] - [ 0.0001976700000000, 0.0000077100000000, 0.0001177900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006492600000000, -0.0010496100000000, 0.0002630600000000 ] - [ -0.0000762700000000, 0.0000656400000000, -0.0001192700000000 ] - [ 0.0001033700000000, -0.0000124500000000, 0.0000435500000000 ] - [ -0.0003749900000000, -0.0002832800000000, 0.0000742000000000 ] - [ -0.0001470200000000, -0.0000249300000000, 0.0000932700000000 ] - [ 0.0000343800000000, 0.0000488900000000, -0.0000102900000000 ] - [ 0.0002049900000000, -0.0000144100000000, 0.0004384300000000 ] - [ -0.0003673300000000, 0.0005848800000000, 0.0004298800000000 ] - [ 0.0001147500000000, 0.0000038700000000, -0.0000225900000000 ] - [ -0.0001000300000000, 0.0000181000000000, 0.0000203800000000 ] - [ 0.0000218800000000, -0.0001440000000000, 0.0000678900000000 ] - [ -0.0001192100000000, 0.0000010200000000, -0.0000251200000000 ] - [ 0.0047201700000000, -0.0011741800000000, 0.0006566600000000 ] - [ -0.0003893600000000, -0.0001007500000000, -0.0002323300000000 ] - [ 0.0000028900000000, 0.0001974200000000, 0.0001197500000000 ] - [ 0.0000715200000000, 0.0000430600000000, 0.0000145400000000 ] - [ 0.0080325400000000, 0.0004902300000000, 0.0045655500000000 ] - [ 0.0029988400000000, -0.0033206000000000, -0.0069610700000000 ] - [ 0.0002139100000000, -0.0000899400000000, -0.0002034800000000 ] - [ 0.0381804600000000, -0.0119077100000000, 0.0211330200000000 ] - [ 0.0001317800000000, -0.0001446200000000, 0.0002563900000000 ] - [ -0.0001050400000000, -0.0001453300000000, -0.0003133700000000 ] - [ -0.0018374500000000, -0.0054518600000000, -0.0033687600000000 ] - [ 0.0002494400000000, 0.0000788300000000, 0.0001545500000000 ] - [ -0.0002831900000000, -0.0000216700000000, 0.0002946400000000 ] - [ 0.0003416000000000, -0.0003538400000000, 0.0002248600000000 ] - [ -0.0000799500000000, 0.0000387800000000, 0.0003019500000000 ] - [ 0.0000330100000000, -0.0002350000000000, -0.0001149100000000 ] - [ -0.0001209300000000, 0.0001028700000000, -0.0003007300000000 ] - [ 0.0001555900000000, 0.0001807700000000, 0.0003124800000000 ] - [ -0.0000747600000000, 0.0003190000000000, -0.0002558500000000 ] - [ -0.0001594800000000, -0.0002830000000000, -0.0004818800000000 ] - [ 0.0098041200000000, 0.0025746800000000, 0.0000180700000000 ] - [ -0.0002075600000000, -0.0008104100000000, -0.0000843500000000 ] - [ 0.0000371900000000, 0.0001950500000000, -0.0000445200000000 ] - [ -0.0000485600000000, 0.0048277900000000, 0.0022489900000000 ] - [ -0.0002231200000000, -0.0001244200000000, -0.0000472300000000 ] - [ 0.0002180400000000, -0.0000976000000000, 0.0003764000000000 ] - [ -0.0000536000000000, 0.0001897000000000, 0.0000543700000000 ] - [ 0.0000235800000000, -0.0001746300000000, 0.0000765800000000 ] - [ 0.0006314600000000, -0.0002004100000000, -0.0001185800000000 ] - [ 0.0002366400000000, 0.0001306900000000, 0.0001421200000000 ] - [ -0.0000944700000000, 0.0000971200000000, 0.0002849500000000 ] - [ -0.0003328100000000, -0.0002177600000000, 0.0000260800000000 ] - [ 0.0002299100000000, 0.0000873400000000, 0.0000181300000000 ] - [ -0.0001666800000000, 0.0001337900000000, 0.0001415900000000 ] - [ 0.0001511800000000, 0.0002452100000000, -0.0007174600000000 ] - [ -0.0000556200000000, 0.0001226400000000, -0.0000868200000000 ] - [ -0.0989084800000000, -0.0075529000000000, -0.0080532000000000 ] - [ 0.0028654500000000, 0.0014060200000000, -0.0000030000000000 ] - [ -0.0004080600000000, 0.0000990100000000, 0.0001266300000000 ] - [ 0.0000301800000000, -0.0002817700000000, -0.0001202900000000 ] - [ 0.0003433300000000, 0.0007396900000000, -0.0002965900000000 ] - [ 0.0000985800000000, 0.0003449000000000, 0.0000836500000000 ] - [ 0.0231910500000000, 0.0125012400000000, -0.0129383200000000 ] - [ -0.0003269000000000, -0.0000810500000000, -0.0000575000000000 ] - [ 0.0002964500000000, 0.0004055800000000, -0.0002516700000000 ] - [ -0.0003482100000000, 0.0001184300000000, -0.0000937900000000 ] - [ 0.0004735600000000, -0.0001165800000000, -0.0001432800000000 ] - [ -0.0001204100000000, 0.0004704400000000, 0.0001196100000000 ] - [ 0.0001730200000000, -0.0002854700000000, 0.0000357500000000 ] - [ -0.0002106600000000, -0.0003987200000000, -0.0000069800000000 ] - [ -0.0003801000000000, -0.0001601100000000, 0.0001573800000000 ] - [ 0.0003863700000000, 0.0000114600000000, 0.0001409200000000 ] - [ 0.0000304300000000, -0.0000637500000000, -0.0000000400000000 ] - [ 0.0002186800000000, -0.0001228600000000, -0.0008423200000000 ] - [ -0.0009425700000000, -0.0013851100000000, 0.0003228300000000 ] - [ -0.0000574900000000, -0.0001387600000000, 0.0000354700000000 ] - [ -0.0004270100000000, 0.0001192700000000, 0.0001383300000000 ] - [ 0.0001817900000000, -0.0001565900000000, 0.0000984600000000 ] - [ 0.0000795100000000, 0.0001313100000000, -0.0000769300000000 ] - [ 0.0001074900000000, -0.0001019800000000, 0.0001883000000000 ] - [ 0.0001372400000000, 0.0001201200000000, -0.0002157100000000 ] - [ -0.0001509900000000, 0.0000707000000000, -0.0001512700000000 ] - [ 0.0008390700000000, 0.0005227800000000, -0.0001576000000000 ] - [ -0.0001236500000000, 0.0001475700000000, 0.0001967600000000 ] - [ -0.0001923300000000, -0.0000945900000000, 0.0006734300000000 ] - [ 0.0001377500000000, -0.0005571500000000, -0.0005875400000000 ] - [ -0.0002268200000000, -0.0000664200000000, 0.0001764300000000 ] - [ 0.0000068700000000, -0.0000495300000000, 0.0008656400000000 ] - [ 0.0000348500000000, -0.0002700900000000, 0.0001308200000000 ] - [ 0.0002078200000000, -0.0001386400000000, 0.0003359300000000 ] - [ -0.0001513600000000, 0.0001698000000000, 0.0002495200000000 ] - [ 0.0007840800000000, 0.0000134000000000, -0.0003083900000000 ] - [ -0.0001122000000000, 0.0003491000000000, -0.0002226200000000 ] - [ 0.0000465200000000, 0.0002668900000000, 0.0001318200000000 ] - [ 0.0003340800000000, 0.0000043200000000, -0.0001416700000000 ] - [ -0.0002567900000000, 0.0000073000000000, -0.0002225700000000 ] - [ -0.0001848200000000, 0.0000467500000000, -0.0000073900000000 ] - [ -0.0000505400000000, -0.0001882800000000, -0.0000816200000000 ] - [ -0.0000268900000000, 0.0003975300000000, 0.0000607800000000 ] - [ 0.0002019800000000, 0.0000294300000000, -0.0000007300000000 ] - [ -0.0010573100000000, -0.0002493300000000, -0.0002717100000000 ] - [ 0.0001245700000000, -0.0001649100000000, 0.0001073600000000 ] - [ 0.0081187100000000, 0.0117609400000000, 0.0017778700000000 ] - [ 0.0002498700000000, -0.0004687600000000, 0.0002020200000000 ] - [ 0.0001067700000000, -0.0001013300000000, 0.0000013000000000 ] - [ 0.0001478900000000, -0.0000110500000000, -0.0000008500000000 ] - [ 0.0000150500000000, -0.0002270500000000, -0.0000086300000000 ] - [ -0.0001951500000000, 0.0001419400000000, 0.0001239600000000 ] - [ -0.0000299600000000, 0.0000747500000000, -0.0001190400000000 ] - [ -0.0001823300000000, 0.0000829100000000, 0.0000382000000000 ] - [ -0.0001048300000000, -0.0003568200000000, 0.0001193100000000 ] - [ -0.0000398400000000, 0.0001856600000000, 0.0000119700000000 ] - [ -0.0000711600000000, -0.0002889900000000, 0.0001283800000000 ] - [ 0.0003827300000000, -0.0000984700000000, 0.0000393500000000 ] - [ -0.0012099000000000, -0.0013959300000000, -0.0006445300000000 ] - [ 0.0036149400000000, 0.0009021400000000, -0.0017599700000000 ] - [ -0.0000611500000000, 0.0002996700000000, -0.0000863300000000 ] - [ 0.0000275300000000, 0.0007409400000000, -0.0004053200000000 ] - [ 0.0004085700000000, 0.0000926900000000, -0.0001167000000000 ] - [ -0.0006706200000000, -0.0004550900000000, -0.0005872800000000 ] - [ 0.0003262300000000, 0.0006592600000000, -0.0004466700000000 ] - [ -0.0003795700000000, 0.0000139700000000, -0.0000590600000000 ] - [ 0.0004039600000000, -0.0000143300000000, -0.0000797400000000 ] - [ -0.0001172300000000, 0.0003179700000000, 0.0000133800000000 ] - [ 0.0000814300000000, -0.0001938400000000, 0.0000524300000000 ] - [ -0.0001412200000000, -0.0003918400000000, -0.0000582100000000 ] - [ -0.0003603300000000, -0.0001574900000000, 0.0001325500000000 ] - [ 0.0003902600000000, 0.0000123400000000, 0.0000892000000000 ] - [ 0.0022470300000000, -0.0013114700000000, 0.0029408100000000 ] - [ -0.0000215500000000, 0.0002892300000000, -0.0000313900000000 ] - [ -0.0000147000000000, -0.0000637200000000, -0.0000288400000000 ] - [ -0.0003828600000000, -0.0003275100000000, 0.0002040700000000 ] - [ -0.0001893900000000, -0.0000117300000000, 0.0000797600000000 ] - [ 0.0000069400000000, -0.0000243700000000, -0.0000116600000000 ] - [ -0.0000015700000000, 0.0000601500000000, 0.0000327400000000 ] - [ 0.0001017100000000, 0.0000018500000000, -0.0000098900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007515200000000, 0.0011445100000000, -0.0002677700000000 ] - [ -0.0000289600000000, 0.0000406600000000, 0.0001233000000000 ] - [ -0.0000001300000000, -0.0000919800000000, -0.0000437100000000 ] - [ 0.0002758300000000, 0.0001826100000000, -0.0000777100000000 ] - [ 0.0000440500000000, -0.0000776100000000, -0.0000940300000000 ] - [ 0.0000696900000000, -0.0001528300000000, 0.0000105000000000 ] - [ -0.0003221900000000, 0.0001120500000000, -0.0004520400000000 ] - [ 0.0004721800000000, -0.0004840200000000, -0.0004253000000000 ] - [ -0.0000119800000000, 0.0001001300000000, 0.0000226600000000 ] - [ -0.0000028000000000, 0.0000855700000000, -0.0000209500000000 ] - [ 0.0000834400000000, 0.0000420700000000, -0.0000692800000000 ] - [ 0.0000164200000000, -0.0001051100000000, 0.0000256700000000 ] - [ -0.0050257300000000, 0.0011120700000000, -0.0007123100000000 ] - [ 0.0004773600000000, -0.0000032700000000, 0.0002305000000000 ] - [ -0.0001074800000000, -0.0000997500000000, -0.0001203100000000 ] - [ 0.0000294400000000, 0.0000603000000000, -0.0000153800000000 ] - [ -0.0076579700000000, -0.0001475400000000, -0.0048649700000000 ] - [ -0.0033325200000000, 0.0035107400000000, 0.0064946900000000 ] - [ 0.0001370700000000, -0.0001228800000000, -0.0002374100000000 ] - [ -0.0377419100000000, 0.0119659100000000, -0.0195563800000000 ] - [ 0.0000812600000000, -0.0002076200000000, 0.0001825300000000 ] - [ -0.0001063800000000, -0.0002069200000000, -0.0001241600000000 ] - [ 0.0014817400000000, 0.0052859900000000, 0.0037984300000000 ] - [ 0.0001024800000000, 0.0001335300000000, 0.0002871400000000 ] - [ 0.0000683900000000, -0.0003278100000000, 0.0001457500000000 ] - [ 0.0000084200000000, 0.0001379600000000, 0.0002163300000000 ] - [ -0.0002718000000000, 0.0001711900000000, 0.0001345500000000 ] - [ 0.0001781600000000, -0.0001170200000000, -0.0003237200000000 ] - [ -0.0000926000000000, 0.0002482800000000, -0.0001392500000000 ] - [ 0.0000562200000000, 0.0001712800000000, 0.0001260600000000 ] - [ 0.0004271900000000, -0.0001054300000000, -0.0001849200000000 ] - [ -0.0001915700000000, 0.0000668000000000, 0.0000384900000000 ] - [ -0.0100270100000000, -0.0023761300000000, -0.0000508500000000 ] - [ 0.0000757600000000, 0.0004980700000000, 0.0000246200000000 ] - [ 0.0001123400000000, 0.0001449900000000, 0.0000050300000000 ] - [ 0.0004189200000000, -0.0046929900000000, -0.0021769600000000 ] - [ -0.0001142600000000, -0.0000234000000000, 0.0000888900000000 ] - [ 0.0001193300000000, -0.0000610900000000, -0.0004166500000000 ] - [ -0.0000964400000000, 0.0001497200000000, -0.0000160800000000 ] - [ 0.0001268700000000, -0.0001648500000000, -0.0000365400000000 ] - [ -0.0002895300000000, 0.0000488100000000, 0.0001618500000000 ] - [ -0.0000879900000000, 0.0002067900000000, -0.0001007100000000 ] - [ -0.0000588700000000, -0.0004301200000000, -0.0002390200000000 ] - [ -0.0000065200000000, 0.0000672100000000, -0.0000668900000000 ] - [ 0.0001092500000000, 0.0000612100000000, -0.0000576600000000 ] - [ -0.0001708400000000, 0.0000169300000000, -0.0001041700000000 ] - [ -0.0000031400000000, -0.0005825600000000, 0.0006669200000000 ] - [ -0.0000947000000000, 0.0002171400000000, 0.0000480400000000 ] - [ 0.0977219100000000, 0.0061833100000000, 0.0072553900000000 ] - [ -0.0022010100000000, -0.0015415000000000, 0.0001515800000000 ] - [ -0.0002607100000000, 0.0000349000000000, 0.0000275300000000 ] - [ 0.0001044300000000, -0.0003882200000000, -0.0000357200000000 ] - [ -0.0004900000000000, -0.0000870400000000, 0.0001503800000000 ] - [ 0.0000367100000000, 0.0003241400000000, 0.0000727900000000 ] - [ -0.0222496400000000, -0.0118074700000000, 0.0122681000000000 ] - [ -0.0003414600000000, -0.0000532000000000, -0.0000970100000000 ] - [ -0.0001627800000000, 0.0002632100000000, 0.0000970600000000 ] - [ -0.0003230900000000, 0.0000169200000000, -0.0000598700000000 ] - [ 0.0001941500000000, -0.0000150200000000, -0.0000102000000000 ] - [ -0.0000140700000000, 0.0001968200000000, 0.0000384100000000 ] - [ -0.0000385200000000, -0.0003827500000000, 0.0001221000000000 ] - [ 0.0000778600000000, -0.0002695300000000, -0.0001494400000000 ] - [ -0.0002887400000000, 0.0000242500000000, 0.0000013900000000 ] - [ 0.0002840700000000, 0.0001231800000000, 0.0000144600000000 ] - [ 0.0001652600000000, 0.0000640000000000, -0.0000000600000000 ] - [ -0.0002174800000000, 0.0003185000000000, 0.0008445200000000 ] - [ 0.0009540000000000, 0.0011923600000000, -0.0003203700000000 ] - [ -0.0001370500000000, 0.0001383700000000, -0.0000352600000000 ] - [ 0.0002375900000000, -0.0001127800000000, -0.0001437900000000 ] - [ -0.0001819000000000, -0.0000376100000000, -0.0000969900000000 ] - [ -0.0000822400000000, 0.0000600300000000, 0.0000788700000000 ] - [ 0.0000857900000000, 0.0001023100000000, -0.0001903200000000 ] - [ 0.0000754300000000, 0.0002322300000000, -0.0002242300000000 ] - [ -0.0002016200000000, 0.0001432800000000, -0.0002896000000000 ] - [ -0.0004893300000000, -0.0007310200000000, -0.0002931100000000 ] - [ -0.0000889200000000, 0.0002045900000000, 0.0002429800000000 ] - [ 0.0004082600000000, -0.0002495300000000, -0.0002205200000000 ] - [ -0.0003588300000000, 0.0002201800000000, 0.0001542700000000 ] - [ -0.0001235400000000, -0.0001477200000000, 0.0002632000000000 ] - [ 0.0003442900000000, 0.0002627300000000, -0.0004301400000000 ] - [ -0.0002556100000000, -0.0000790100000000, 0.0003133800000000 ] - [ 0.0001463400000000, -0.0000717800000000, 0.0001040800000000 ] - [ -0.0002023500000000, 0.0000420300000000, 0.0001897000000000 ] - [ -0.0005816300000000, -0.0003715700000000, -0.0001210300000000 ] - [ -0.0001007700000000, 0.0000020300000000, -0.0002190200000000 ] - [ 0.0001666600000000, 0.0000833500000000, 0.0003087000000000 ] - [ 0.0000149500000000, 0.0002095700000000, -0.0002981000000000 ] - [ -0.0000945500000000, -0.0002188800000000, -0.0002176900000000 ] - [ -0.0001545500000000, 0.0001025500000000, -0.0000330900000000 ] - [ -0.0000982200000000, -0.0001506600000000, 0.0000432700000000 ] - [ 0.0001749300000000, -0.0000512400000000, -0.0001044600000000 ] - [ 0.0001373200000000, 0.0001206800000000, 0.0000414500000000 ] - [ 0.0007193100000000, 0.0000957600000000, 0.0003067800000000 ] - [ 0.0002136200000000, 0.0000140900000000, -0.0001511900000000 ] - [ -0.0083459500000000, -0.0111292200000000, -0.0015064700000000 ] - [ -0.0001067000000000, 0.0001274300000000, -0.0001622600000000 ] - [ 0.0002318600000000, -0.0000420700000000, 0.0000351800000000 ] - [ -0.0000012600000000, 0.0003466700000000, 0.0000410900000000 ] - [ -0.0001651400000000, -0.0001118100000000, 0.0000489300000000 ] - [ -0.0001397600000000, -0.0002970900000000, -0.0001710500000000 ] - [ 0.0003684500000000, 0.0000760800000000, 0.0000806900000000 ] - [ -0.0001575900000000, 0.0000673200000000, 0.0000007000000000 ] - [ 0.0002550000000000, 0.0000174500000000, -0.0001591500000000 ] - [ -0.0001087900000000, 0.0001533700000000, -0.0000523600000000 ] - [ -0.0000635800000000, -0.0003807500000000, 0.0000271900000000 ] - [ 0.0002853500000000, -0.0000343300000000, 0.0001168200000000 ] - [ 0.0005576400000000, 0.0015511300000000, 0.0008105900000000 ] - [ -0.0034060000000000, -0.0015428300000000, 0.0015764200000000 ] - [ -0.0000742900000000, 0.0003698800000000, -0.0000682000000000 ] - [ 0.0001082600000000, -0.0000730900000000, 0.0005566700000000 ] - [ 0.0002608000000000, 0.0000408100000000, -0.0000393200000000 ] - [ -0.0000023000000000, 0.0003226300000000, 0.0004348200000000 ] - [ -0.0001851300000000, 0.0000067500000000, 0.0002936700000000 ] - [ -0.0002899400000000, 0.0001196900000000, -0.0000985600000000 ] - [ 0.0002650600000000, -0.0001199100000000, -0.0000765100000000 ] - [ -0.0000164500000000, 0.0003512000000000, 0.0001412000000000 ] - [ 0.0000531700000000, -0.0004760000000000, 0.0001034800000000 ] - [ 0.0000071800000000, -0.0002772300000000, -0.0000973100000000 ] - [ -0.0003066900000000, 0.0000268500000000, 0.0000226900000000 ] - [ 0.0002797000000000, 0.0001239600000000, 0.0000650300000000 ] - [ -0.0020257800000000, 0.0013121100000000, -0.0028786300000000 ] - [ 0.0000295000000000, -0.0000986800000000, 0.0000305600000000 ] - [ 0.0000165500000000, -0.0001303800000000, 0.0000292900000000 ] - [ 0.0001878100000000, 0.0003146700000000, -0.0001992700000000 ] - [ -0.0000036200000000, 0.0000123900000000, -0.0000806100000000 ] - [ -0.0000070200000000, -0.0001706900000000, 0.0000133800000000 ] - [ 0.0000030800000000, 0.0001348100000000, -0.0000349200000000 ] - [ 0.0000922900000000, -0.0000015700000000, 0.0000101500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007798500000000, -0.0002761900000000, -0.0004570900000000 ] - [ -0.0000423000000000, 0.0001012700000000, -0.0001123800000000 ] - [ 0.0000756400000000, -0.0000290700000000, -0.0000197200000000 ] - [ -0.0002003000000000, 0.0001416300000000, 0.0001724400000000 ] - [ 0.0001187000000000, -0.0002354100000000, -0.0000875500000000 ] - [ -0.0000331600000000, -0.0002005000000000, 0.0000673700000000 ] - [ 0.0001356400000000, 0.0006958000000000, 0.0004003600000000 ] - [ 0.0002317200000000, 0.0003425000000000, -0.0002643100000000 ] - [ 0.0000637500000000, 0.0000257600000000, -0.0000104800000000 ] - [ -0.0000691700000000, 0.0000295200000000, 0.0000209400000000 ] - [ 0.0000189400000000, -0.0000340300000000, 0.0000043600000000 ] - [ -0.0000678700000000, -0.0000322900000000, 0.0000069500000000 ] - [ -0.0016009400000000, 0.0003596400000000, -0.0005444700000000 ] - [ 0.0002738400000000, 0.0000174500000000, 0.0000527000000000 ] - [ 0.0001214500000000, -0.0001057800000000, 0.0003726400000000 ] - [ 0.0000997800000000, 0.0000355900000000, 0.0000439000000000 ] - [ -0.0014081300000000, 0.0004992900000000, -0.0032525200000000 ] - [ 0.0001145800000000, -0.0011223600000000, -0.0027951800000000 ] - [ 0.0001667000000000, -0.0001189900000000, -0.0001407800000000 ] - [ -0.0159584900000000, 0.0199378000000000, -0.0113733600000000 ] - [ 0.0001347000000000, -0.0001986100000000, 0.0002625100000000 ] - [ -0.0001109200000000, -0.0001579500000000, -0.0002119700000000 ] - [ -0.0005126800000000, 0.0061860300000000, 0.0044511600000000 ] - [ 0.0001659200000000, 0.0001139400000000, 0.0001734000000000 ] - [ -0.0001649600000000, -0.0001758300000000, 0.0002456600000000 ] - [ 0.0002392300000000, -0.0001106600000000, 0.0003413800000000 ] - [ 0.0000721900000000, 0.0001415700000000, 0.0002294100000000 ] - [ 0.0000678600000000, -0.0002421200000000, -0.0001445300000000 ] - [ -0.0000418800000000, 0.0002947700000000, -0.0002706600000000 ] - [ 0.0001047700000000, -0.0001799700000000, 0.0002627500000000 ] - [ 0.0001654600000000, 0.0000420100000000, -0.0001170100000000 ] - [ -0.0001212900000000, -0.0000563800000000, -0.0004356700000000 ] - [ 0.0033313300000000, 0.0022201300000000, -0.0004744600000000 ] - [ -0.0012186600000000, -0.0009622600000000, -0.0006267400000000 ] - [ 0.0000818300000000, 0.0001418800000000, -0.0000509700000000 ] - [ 0.0055177400000000, -0.0039268200000000, 0.0036004900000000 ] - [ -0.0000930100000000, -0.0000609100000000, -0.0000058300000000 ] - [ -0.0000494600000000, 0.0004120000000000, -0.0002207700000000 ] - [ -0.0000966400000000, 0.0001231700000000, 0.0000405000000000 ] - [ 0.0000927100000000, -0.0001562600000000, 0.0000018800000000 ] - [ 0.0002162900000000, -0.0002830300000000, -0.0000454900000000 ] - [ 0.0001004700000000, 0.0003088600000000, -0.0000995300000000 ] - [ -0.0002986200000000, -0.0002281500000000, -0.0000633500000000 ] - [ -0.0001714000000000, 0.0000063000000000, -0.0000875500000000 ] - [ 0.0001458400000000, 0.0002219300000000, -0.0002569000000000 ] - [ -0.0001756400000000, -0.0000049300000000, 0.0000353800000000 ] - [ -0.0000407500000000, -0.0007476800000000, -0.0001082400000000 ] - [ -0.0001364700000000, 0.0001152200000000, 0.0001639300000000 ] - [ -0.0070119000000000, -0.1214004800000000, -0.0031940600000000 ] - [ -0.0021866300000000, -0.0009590200000000, -0.0005323000000000 ] - [ -0.0003127900000000, 0.0001167600000000, 0.0001370600000000 ] - [ 0.0000151000000000, -0.0003199100000000, -0.0000547400000000 ] - [ -0.0004854700000000, 0.0012444500000000, 0.0002996900000000 ] - [ 0.0000787300000000, 0.0001858300000000, 0.0000185500000000 ] - [ 0.0220900000000000, 0.0229494700000000, -0.0173217100000000 ] - [ -0.0002917800000000, -0.0000607500000000, -0.0001129300000000 ] - [ 0.0001369400000000, 0.0004026300000000, -0.0001207700000000 ] - [ -0.0002879800000000, 0.0002087100000000, -0.0001450200000000 ] - [ 0.0002900900000000, -0.0000818600000000, -0.0001496100000000 ] - [ -0.0002045400000000, 0.0004232600000000, 0.0000963000000000 ] - [ 0.0000188800000000, -0.0002499200000000, -0.0000357500000000 ] - [ -0.0001323900000000, -0.0003992300000000, -0.0000841500000000 ] - [ -0.0005306900000000, -0.0000966500000000, 0.0001153100000000 ] - [ 0.0003603700000000, 0.0001233200000000, 0.0001075300000000 ] - [ 0.0001001200000000, 0.0000717700000000, -0.0000439300000000 ] - [ -0.0002614600000000, 0.0005428400000000, 0.0010241100000000 ] - [ -0.0008586400000000, -0.0010817300000000, -0.0004593400000000 ] - [ -0.0000790700000000, -0.0000473100000000, 0.0000312800000000 ] - [ -0.0000837700000000, 0.0001512100000000, 0.0001619100000000 ] - [ 0.0003008000000000, -0.0000616900000000, 0.0000868300000000 ] - [ 0.0001348700000000, 0.0002584000000000, -0.0000495000000000 ] - [ 0.0001733900000000, -0.0002345800000000, 0.0000300200000000 ] - [ 0.0001141700000000, 0.0001518100000000, -0.0002451300000000 ] - [ -0.0001960400000000, 0.0000699400000000, -0.0002661400000000 ] - [ 0.0003734800000000, 0.0007430100000000, -0.0007393300000000 ] - [ -0.0001306300000000, 0.0001584600000000, 0.0002366200000000 ] - [ -0.0004778200000000, -0.0002480900000000, 0.0001413800000000 ] - [ 0.0002571000000000, -0.0004209500000000, -0.0003945100000000 ] - [ -0.0001996000000000, -0.0000686900000000, 0.0002038100000000 ] - [ 0.0004243400000000, 0.0010385900000000, -0.0003905300000000 ] - [ -0.0004166100000000, 0.0000636300000000, 0.0001461700000000 ] - [ 0.0002903700000000, -0.0001581400000000, -0.0000034900000000 ] - [ -0.0002321800000000, 0.0001547800000000, 0.0002080900000000 ] - [ 0.0013727100000000, 0.0000608500000000, -0.0002123000000000 ] - [ -0.0002602600000000, 0.0000352900000000, -0.0001042800000000 ] - [ -0.0000155600000000, 0.0002295200000000, 0.0001173900000000 ] - [ 0.0002194800000000, 0.0003113500000000, -0.0002463500000000 ] - [ -0.0001759200000000, -0.0002284400000000, -0.0003080800000000 ] - [ -0.0001726700000000, 0.0000818600000000, -0.0000161800000000 ] - [ -0.0000725400000000, -0.0001681700000000, 0.0000123500000000 ] - [ 0.0001738200000000, -0.0001353100000000, -0.0003011000000000 ] - [ 0.0001589400000000, 0.0000488000000000, -0.0000088600000000 ] - [ 0.0011332200000000, 0.0000784300000000, -0.0000699000000000 ] - [ 0.0002519900000000, -0.0001109200000000, -0.0000607900000000 ] - [ -0.0042631500000000, 0.0736917300000000, 0.0336520000000000 ] - [ -0.0001183700000000, -0.0001670000000000, -0.0001014600000000 ] - [ 0.0004123000000000, 0.0000038100000000, -0.0000156800000000 ] - [ 0.0001488400000000, 0.0003245700000000, -0.0001149300000000 ] - [ -0.0000980700000000, -0.0001683800000000, 0.0000537100000000 ] - [ 0.0000067000000000, -0.0001310300000000, -0.0002798100000000 ] - [ 0.0000261100000000, 0.0007609200000000, -0.0000380100000000 ] - [ -0.0000763900000000, 0.0000328500000000, 0.0000684100000000 ] - [ 0.0000947700000000, -0.0002356600000000, 0.0000469100000000 ] - [ 0.0000015300000000, 0.0002638300000000, 0.0000224500000000 ] - [ -0.0000222800000000, -0.0003068700000000, 0.0000631800000000 ] - [ 0.0003125700000000, -0.0001421500000000, 0.0000810000000000 ] - [ 0.0022051900000000, 0.0025951400000000, 0.0028619400000000 ] - [ -0.0011497900000000, -0.0000901400000000, 0.0018123400000000 ] - [ -0.0000327000000000, 0.0003151000000000, -0.0000404800000000 ] - [ 0.0004779400000000, 0.0003567800000000, -0.0001272500000000 ] - [ 0.0003133100000000, 0.0001423700000000, -0.0000968600000000 ] - [ -0.0005191300000000, -0.0003996200000000, -0.0000059800000000 ] - [ 0.0003949400000000, -0.0000327900000000, -0.0001383700000000 ] - [ -0.0004546700000000, 0.0001374900000000, -0.0000660100000000 ] - [ 0.0004549500000000, -0.0001132800000000, -0.0000229900000000 ] - [ -0.0000515700000000, 0.0003424900000000, 0.0000835000000000 ] - [ -0.0000720700000000, -0.0003115700000000, 0.0002319700000000 ] - [ -0.0001252700000000, -0.0002515600000000, -0.0000131000000000 ] - [ -0.0005299200000000, -0.0001119400000000, 0.0003327000000000 ] - [ 0.0003606400000000, 0.0001187600000000, 0.0000415600000000 ] - [ 0.0008246000000000, -0.0031564400000000, -0.0041049400000000 ] - [ -0.0001889400000000, 0.0000802000000000, 0.0000133400000000 ] - [ -0.0000354200000000, -0.0001576800000000, -0.0000415400000000 ] - [ -0.0001965600000000, 0.0001722600000000, -0.0002259600000000 ] - [ -0.0000313000000000, 0.0000854600000000, -0.0000139300000000 ] - [ -0.0000317400000000, -0.0000936400000000, -0.0000366600000000 ] - [ 0.0000109700000000, 0.0001910700000000, -0.0000389400000000 ] - [ 0.0000955400000000, 0.0000139000000000, -0.0000183000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008866100000000, 0.0003807000000000, 0.0004623000000000 ] - [ -0.0000599200000000, 0.0000009400000000, 0.0001138500000000 ] - [ 0.0000285900000000, -0.0000755300000000, 0.0000193900000000 ] - [ 0.0001040200000000, -0.0002419300000000, -0.0001747300000000 ] - [ -0.0002220600000000, 0.0001301200000000, 0.0000872900000000 ] - [ 0.0001378400000000, 0.0000964600000000, -0.0000671100000000 ] - [ -0.0002338300000000, -0.0005961300000000, -0.0004010100000000 ] - [ -0.0001255800000000, -0.0002395000000000, 0.0002612400000000 ] - [ 0.0000385400000000, 0.0000776200000000, 0.0000106900000000 ] - [ -0.0000347500000000, 0.0000745400000000, -0.0000207600000000 ] - [ 0.0000848300000000, -0.0000690400000000, -0.0000048500000000 ] - [ -0.0000381200000000, -0.0000727900000000, -0.0000069500000000 ] - [ 0.0015069100000000, -0.0004898900000000, 0.0005339300000000 ] - [ -0.0001720200000000, -0.0001212300000000, -0.0000525100000000 ] - [ -0.0002265100000000, 0.0002101000000000, -0.0003692600000000 ] - [ 0.0000030700000000, 0.0000683500000000, -0.0000435000000000 ] - [ 0.0015535900000000, -0.0001637500000000, 0.0028423700000000 ] - [ -0.0004994100000000, 0.0013505800000000, 0.0024415200000000 ] - [ 0.0001856400000000, -0.0000953300000000, -0.0002996900000000 ] - [ 0.0157794900000000, -0.0196357500000000, 0.0117768200000000 ] - [ 0.0000798900000000, -0.0001542800000000, 0.0001786700000000 ] - [ -0.0001025900000000, -0.0001944900000000, -0.0002277100000000 ] - [ 0.0001844600000000, -0.0065119300000000, -0.0040648500000000 ] - [ 0.0001858800000000, 0.0001005700000000, 0.0002672800000000 ] - [ -0.0000466300000000, -0.0001778900000000, 0.0001929500000000 ] - [ 0.0001112700000000, -0.0000979400000000, 0.0001006000000000 ] - [ -0.0004239300000000, 0.0000745700000000, 0.0002107500000000 ] - [ 0.0001475500000000, -0.0001071700000000, -0.0003007000000000 ] - [ -0.0001759100000000, 0.0000558500000000, -0.0001691700000000 ] - [ 0.0001119200000000, 0.0005307600000000, 0.0001829700000000 ] - [ 0.0001891400000000, 0.0001663200000000, -0.0003240800000000 ] - [ -0.0002253900000000, -0.0001575900000000, -0.0000032400000000 ] - [ -0.0036773200000000, -0.0020381000000000, 0.0003462200000000 ] - [ 0.0010365800000000, 0.0005889700000000, 0.0006177700000000 ] - [ 0.0000639500000000, 0.0001970900000000, 0.0000075400000000 ] - [ -0.0052047900000000, 0.0040873100000000, -0.0035868600000000 ] - [ -0.0002458700000000, -0.0000856900000000, 0.0000489900000000 ] - [ 0.0003867600000000, -0.0005580800000000, 0.0001808400000000 ] - [ -0.0000501500000000, 0.0002154500000000, 0.0000028600000000 ] - [ 0.0000522400000000, -0.0001830300000000, 0.0000412900000000 ] - [ 0.0001182000000000, 0.0001411100000000, 0.0000909800000000 ] - [ 0.0000436200000000, 0.0000284700000000, 0.0001422900000000 ] - [ 0.0001491000000000, -0.0001083100000000, 0.0001082300000000 ] - [ -0.0001662600000000, -0.0001509600000000, 0.0000425800000000 ] - [ 0.0001922100000000, -0.0000751000000000, 0.0002141500000000 ] - [ -0.0001654000000000, 0.0001499300000000, 0.0000095900000000 ] - [ 0.0001974600000000, 0.0004040000000000, 0.0000528400000000 ] - [ -0.0000131300000000, 0.0002245000000000, -0.0002110000000000 ] - [ 0.0067327200000000, 0.1234681700000000, 0.0058408200000000 ] - [ 0.0028808000000000, 0.0008085300000000, 0.0006560300000000 ] - [ -0.0003586400000000, 0.0000193900000000, 0.0000199200000000 ] - [ 0.0001217700000000, -0.0003511700000000, -0.0001010500000000 ] - [ 0.0003406400000000, -0.0005891500000000, -0.0004542200000000 ] - [ 0.0000584900000000, 0.0004844000000000, 0.0001367300000000 ] - [ -0.0208181100000000, -0.0224908400000000, 0.0166503800000000 ] - [ -0.0003776800000000, -0.0000750600000000, -0.0000427400000000 ] - [ -0.0000052300000000, 0.0002652300000000, -0.0000315300000000 ] - [ -0.0003802800000000, -0.0000707500000000, -0.0000139300000000 ] - [ 0.0003821900000000, -0.0000565500000000, -0.0000095000000000 ] - [ 0.0000688100000000, 0.0002472000000000, 0.0000584400000000 ] - [ 0.0001166700000000, -0.0004170200000000, 0.0001891000000000 ] - [ -0.0000038000000000, -0.0002722200000000, -0.0000730000000000 ] - [ -0.0001386800000000, -0.0000429200000000, 0.0000428300000000 ] - [ 0.0003103300000000, 0.0000126100000000, 0.0000503900000000 ] - [ 0.0000925600000000, -0.0000718100000000, 0.0000434000000000 ] - [ 0.0002588300000000, -0.0003493200000000, -0.0010230600000000 ] - [ 0.0008266900000000, 0.0008818800000000, 0.0004686800000000 ] - [ -0.0001138700000000, 0.0000471500000000, -0.0000302800000000 ] - [ -0.0001081700000000, -0.0001493400000000, -0.0001659300000000 ] - [ -0.0003007700000000, -0.0001346900000000, -0.0000897500000000 ] - [ -0.0001377100000000, -0.0000657500000000, 0.0000499300000000 ] - [ 0.0000164800000000, 0.0002337800000000, -0.0000295900000000 ] - [ 0.0000999100000000, 0.0002008200000000, -0.0001954500000000 ] - [ -0.0001545000000000, 0.0001442900000000, -0.0001748800000000 ] - [ -0.0000272000000000, -0.0009530100000000, 0.0002952500000000 ] - [ -0.0000841400000000, 0.0001935500000000, 0.0002027400000000 ] - [ 0.0006903000000000, -0.0001083100000000, 0.0002906600000000 ] - [ -0.0004608900000000, 0.0000719200000000, -0.0000493100000000 ] - [ -0.0001527100000000, -0.0001449900000000, 0.0002360400000000 ] - [ -0.0000717100000000, -0.0008210400000000, 0.0008269400000000 ] - [ 0.0002053000000000, -0.0004186300000000, 0.0002935300000000 ] - [ 0.0000608300000000, -0.0000551400000000, 0.0004455100000000 ] - [ -0.0001209000000000, 0.0000601800000000, 0.0002315100000000 ] - [ -0.0011752800000000, -0.0004058000000000, -0.0002349000000000 ] - [ 0.0000435400000000, 0.0003129500000000, -0.0003339100000000 ] - [ 0.0002246500000000, 0.0001258000000000, 0.0003194200000000 ] - [ 0.0001311200000000, -0.0000981100000000, -0.0001948600000000 ] - [ -0.0001772300000000, 0.0000158800000000, -0.0001311500000000 ] - [ -0.0001662900000000, 0.0000643200000000, -0.0000273100000000 ] - [ -0.0000745500000000, -0.0001717500000000, -0.0000561900000000 ] - [ -0.0000298400000000, 0.0004743000000000, 0.0002611600000000 ] - [ 0.0001807000000000, 0.0000970200000000, 0.0000533800000000 ] - [ -0.0014701200000000, -0.0002262100000000, 0.0001050900000000 ] - [ 0.0000873300000000, -0.0000368900000000, 0.0000156300000000 ] - [ 0.0038527100000000, -0.0761596800000000, -0.0354079800000000 ] - [ 0.0002623800000000, -0.0001698400000000, 0.0001440900000000 ] - [ -0.0000786500000000, -0.0001550600000000, 0.0000617300000000 ] - [ -0.0000045700000000, 0.0000161100000000, 0.0001590400000000 ] - [ -0.0000472700000000, -0.0001707900000000, -0.0000100100000000 ] - [ -0.0003415500000000, -0.0000081300000000, 0.0002419700000000 ] - [ 0.0003078000000000, -0.0006084300000000, -0.0000033100000000 ] - [ -0.0002645500000000, 0.0001114500000000, -0.0000237800000000 ] - [ 0.0000552000000000, -0.0000980800000000, -0.0000927500000000 ] - [ -0.0001473900000000, 0.0000753200000000, -0.0000663100000000 ] - [ -0.0001147400000000, -0.0003634600000000, 0.0000932300000000 ] - [ 0.0003579100000000, 0.0000051700000000, 0.0000755700000000 ] - [ -0.0028623800000000, -0.0024718200000000, -0.0026952100000000 ] - [ 0.0012954700000000, -0.0005669500000000, -0.0019601700000000 ] - [ -0.0001031700000000, 0.0003551800000000, -0.0001141700000000 ] - [ -0.0003358400000000, 0.0003101400000000, 0.0002867300000000 ] - [ 0.0003575200000000, -0.0000051400000000, -0.0000592700000000 ] - [ -0.0001451400000000, 0.0002684000000000, -0.0001495600000000 ] - [ -0.0002572400000000, 0.0007065500000000, -0.0000164200000000 ] - [ -0.0002145500000000, -0.0000013900000000, -0.0000890700000000 ] - [ 0.0002146700000000, -0.0000234400000000, -0.0001336500000000 ] - [ -0.0000848600000000, 0.0003284700000000, 0.0000739000000000 ] - [ 0.0002107900000000, -0.0003613600000000, -0.0000750100000000 ] - [ -0.0000111900000000, -0.0004185000000000, -0.0001426700000000 ] - [ -0.0001376100000000, -0.0000206100000000, -0.0001822800000000 ] - [ 0.0003105400000000, 0.0000166800000000, 0.0001153700000000 ] - [ -0.0007350500000000, 0.0030948300000000, 0.0040338700000000 ] - [ 0.0001904300000000, 0.0001135100000000, -0.0000132600000000 ] - [ 0.0000350500000000, -0.0000346900000000, 0.0000398500000000 ] - [ 0.0000067600000000, -0.0001723500000000, 0.0002208700000000 ] - [ -0.0001610700000000, -0.0000833700000000, 0.0000129000000000 ] - [ 0.0000323300000000, -0.0000992300000000, 0.0000354200000000 ] - [ -0.0000126600000000, -0.0000016200000000, 0.0000418600000000 ] - [ 0.0000977800000000, -0.0000136200000000, 0.0000166800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000974100000000, -0.0007590600000000, 0.0006509700000000 ] - [ -0.0001390100000000, -0.0000180000000000, -0.0001356000000000 ] - [ 0.0000666700000000, -0.0000256000000000, -0.0000187200000000 ] - [ 0.0001799200000000, 0.0002377500000000, -0.0000217100000000 ] - [ 0.0000443300000000, -0.0002282300000000, -0.0000074300000000 ] - [ 0.0000058600000000, 0.0000521000000000, 0.0001413900000000 ] - [ 0.0003413100000000, 0.0000721700000000, 0.0005459400000000 ] - [ -0.0000417100000000, -0.0004486300000000, -0.0003446000000000 ] - [ 0.0000577000000000, 0.0000431700000000, 0.0000011300000000 ] - [ -0.0000702200000000, 0.0000490700000000, 0.0000327900000000 ] - [ 0.0000273700000000, -0.0000395000000000, 0.0001430600000000 ] - [ -0.0000643800000000, -0.0000458000000000, -0.0000357800000000 ] - [ -0.0013082500000000, -0.0005254800000000, -0.0009414500000000 ] - [ 0.0003727600000000, -0.0001101100000000, 0.0001220500000000 ] - [ -0.0000369300000000, 0.0001766800000000, 0.0001489500000000 ] - [ 0.0000746300000000, 0.0000507500000000, 0.0000831600000000 ] - [ 0.0044692500000000, 0.0006922000000000, -0.0031211000000000 ] - [ -0.0025138500000000, 0.0010663500000000, 0.0058194000000000 ] - [ 0.0001970900000000, -0.0001337100000000, -0.0001846600000000 ] - [ 0.0353287000000000, -0.0118871000000000, 0.0440892600000000 ] - [ 0.0000456900000000, -0.0001421600000000, 0.0001730300000000 ] - [ -0.0000858100000000, -0.0001791100000000, -0.0001385700000000 ] - [ -0.0016381200000000, 0.0045815200000000, 0.0043383000000000 ] - [ 0.0002033200000000, 0.0001127700000000, 0.0002315800000000 ] - [ 0.0000509600000000, -0.0002602700000000, 0.0001584700000000 ] - [ 0.0000997300000000, 0.0004083500000000, 0.0001236100000000 ] - [ 0.0002756600000000, 0.0000121700000000, 0.0003484300000000 ] - [ 0.0001695900000000, 0.0001258100000000, -0.0003877000000000 ] - [ -0.0001569000000000, 0.0001071800000000, -0.0002944400000000 ] - [ 0.0001952800000000, 0.0000952400000000, 0.0002472500000000 ] - [ 0.0002619200000000, -0.0000726300000000, -0.0001362600000000 ] - [ -0.0000307600000000, -0.0001108500000000, -0.0001423300000000 ] - [ -0.0043506900000000, -0.0020617800000000, -0.0022781700000000 ] - [ -0.0005657600000000, 0.0003386000000000, -0.0001697700000000 ] - [ 0.0001274000000000, 0.0001222800000000, -0.0000259800000000 ] - [ 0.0017699000000000, 0.0027234400000000, 0.0032769600000000 ] - [ -0.0001067900000000, -0.0000632300000000, 0.0000854300000000 ] - [ 0.0000776600000000, 0.0003011800000000, 0.0000969700000000 ] - [ -0.0001261200000000, 0.0001905200000000, 0.0000392200000000 ] - [ 0.0000815300000000, -0.0000947600000000, 0.0000071000000000 ] - [ -0.0000501800000000, -0.0002824200000000, 0.0002699500000000 ] - [ 0.0000303900000000, 0.0002122700000000, -0.0002177500000000 ] - [ -0.0001688400000000, -0.0001015800000000, -0.0001225500000000 ] - [ -0.0001767500000000, -0.0001813500000000, 0.0000308300000000 ] - [ 0.0001742400000000, 0.0001425600000000, -0.0000538600000000 ] - [ -0.0002570300000000, 0.0000495800000000, 0.0001477700000000 ] - [ -0.0010339400000000, 0.0002835400000000, 0.0012078700000000 ] - [ -0.0000479200000000, 0.0001448700000000, -0.0000899000000000 ] - [ -0.0089694200000000, -0.0045128700000000, -0.1137975600000000 ] - [ -0.0024342200000000, -0.0007938400000000, 0.0007694700000000 ] - [ -0.0003320900000000, 0.0001048800000000, 0.0001394000000000 ] - [ 0.0000254900000000, -0.0003580800000000, 0.0000137800000000 ] - [ 0.0001609300000000, 0.0007025600000000, 0.0001652100000000 ] - [ 0.0000620000000000, 0.0003945300000000, 0.0000137700000000 ] - [ -0.0162974600000000, -0.0122195000000000, 0.0322133300000000 ] - [ -0.0003002800000000, -0.0000855300000000, -0.0000793400000000 ] - [ -0.0001089300000000, 0.0002895900000000, 0.0001394100000000 ] - [ -0.0002656700000000, 0.0000007100000000, -0.0000190400000000 ] - [ 0.0002694600000000, -0.0000503500000000, -0.0000177400000000 ] - [ -0.0000259100000000, 0.0003152400000000, 0.0000958900000000 ] - [ 0.0001099000000000, -0.0004488900000000, 0.0001605800000000 ] - [ -0.0001376600000000, -0.0003295200000000, -0.0000711800000000 ] - [ -0.0000759000000000, -0.0000117400000000, 0.0000211400000000 ] - [ 0.0003721000000000, 0.0000553200000000, 0.0000709600000000 ] - [ 0.0000748600000000, -0.0000293300000000, -0.0000336500000000 ] - [ 0.0001499100000000, 0.0005610700000000, 0.0004547600000000 ] - [ -0.0012174500000000, -0.0008232900000000, -0.0003219700000000 ] - [ -0.0001643700000000, 0.0000181400000000, 0.0000152700000000 ] - [ -0.0000322700000000, -0.0000040300000000, 0.0000645800000000 ] - [ -0.0000622800000000, 0.0000761000000000, -0.0000519600000000 ] - [ -0.0000874100000000, -0.0000529900000000, -0.0000100500000000 ] - [ 0.0000920600000000, 0.0001952400000000, 0.0003228500000000 ] - [ 0.0000918000000000, 0.0001513500000000, -0.0002738100000000 ] - [ -0.0001619100000000, 0.0000967300000000, -0.0002194700000000 ] - [ 0.0005401300000000, -0.0005283800000000, -0.0000143800000000 ] - [ -0.0001399700000000, 0.0001985200000000, 0.0002129400000000 ] - [ -0.0005122900000000, -0.0001679000000000, 0.0003361400000000 ] - [ -0.0002110000000000, -0.0006099500000000, -0.0002768400000000 ] - [ -0.0001526000000000, -0.0001566200000000, 0.0001858600000000 ] - [ 0.0001153200000000, 0.0002068600000000, 0.0003222500000000 ] - [ 0.0001329000000000, -0.0002807600000000, 0.0002414200000000 ] - [ 0.0001739400000000, -0.0001279900000000, 0.0003226600000000 ] - [ -0.0002013400000000, 0.0002634200000000, 0.0002187500000000 ] - [ -0.0000057100000000, -0.0003788300000000, -0.0002477900000000 ] - [ 0.0001175300000000, 0.0002277600000000, -0.0002032000000000 ] - [ 0.0002400900000000, 0.0000524400000000, 0.0002288700000000 ] - [ 0.0000361200000000, -0.0000388700000000, -0.0000433400000000 ] - [ -0.0001582000000000, -0.0000807100000000, -0.0002620900000000 ] - [ -0.0001894800000000, 0.0000864900000000, 0.0000194900000000 ] - [ -0.0000907400000000, -0.0001734800000000, -0.0000644000000000 ] - [ 0.0003259700000000, 0.0004670900000000, -0.0000383900000000 ] - [ 0.0002425800000000, 0.0000724900000000, -0.0000124400000000 ] - [ 0.0004417700000000, 0.0000471700000000, 0.0002462200000000 ] - [ 0.0001855800000000, -0.0000546200000000, -0.0001702700000000 ] - [ -0.0052247400000000, 0.0249352400000000, 0.0198510800000000 ] - [ 0.0003970300000000, -0.0003528000000000, 0.0001250000000000 ] - [ 0.0001559700000000, -0.0000138500000000, -0.0000048200000000 ] - [ -0.0000714700000000, -0.0000326100000000, 0.0000268200000000 ] - [ -0.0000178600000000, -0.0003397900000000, -0.0000176000000000 ] - [ -0.0000411900000000, -0.0002210000000000, -0.0001640500000000 ] - [ -0.0003415800000000, 0.0002130200000000, -0.0003854300000000 ] - [ -0.0000270700000000, 0.0001637100000000, 0.0001483200000000 ] - [ 0.0001878500000000, -0.0000569000000000, 0.0000191100000000 ] - [ -0.0000172900000000, 0.0003308500000000, 0.0000859200000000 ] - [ -0.0000168500000000, -0.0003502200000000, 0.0001113700000000 ] - [ 0.0002759500000000, -0.0000172800000000, 0.0001404600000000 ] - [ -0.0009000200000000, 0.0001650700000000, 0.0007840000000000 ] - [ -0.0015907500000000, -0.0022109800000000, -0.0002820000000000 ] - [ -0.0000588600000000, 0.0003720600000000, -0.0000311500000000 ] - [ 0.0005449100000000, 0.0005390400000000, -0.0003226900000000 ] - [ 0.0003156500000000, 0.0000277200000000, -0.0000730600000000 ] - [ -0.0004010500000000, 0.0004479300000000, -0.0002992300000000 ] - [ -0.0003022500000000, 0.0002717100000000, -0.0003905900000000 ] - [ -0.0003901100000000, 0.0000648000000000, -0.0000413300000000 ] - [ 0.0003463900000000, -0.0000871300000000, -0.0000404300000000 ] - [ -0.0001307700000000, 0.0003302100000000, 0.0001115000000000 ] - [ 0.0000940000000000, -0.0001819700000000, -0.0000198500000000 ] - [ -0.0000866800000000, -0.0003997100000000, -0.0000819900000000 ] - [ -0.0002968600000000, 0.0000151200000000, 0.0000203700000000 ] - [ 0.0003060100000000, 0.0000042800000000, 0.0000712200000000 ] - [ 0.0037254400000000, -0.0004303100000000, 0.0060621600000000 ] - [ 0.0002070600000000, -0.0000318000000000, -0.0000245700000000 ] - [ -0.0000395000000000, -0.0001019800000000, -0.0000666000000000 ] - [ 0.0000145200000000, 0.0000784900000000, 0.0002438900000000 ] - [ -0.0000733600000000, 0.0000396500000000, -0.0000494100000000 ] - [ -0.0000273400000000, -0.0001374800000000, -0.0000618400000000 ] - [ -0.0000398200000000, 0.0000927500000000, 0.0001042200000000 ] - [ 0.0000424500000000, -0.0000122700000000, -0.0000074600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000122900000000, 0.0008567200000000, -0.0006394300000000 ] - [ 0.0000339500000000, 0.0001268300000000, 0.0001401400000000 ] - [ 0.0000377900000000, -0.0000810000000000, 0.0000183500000000 ] - [ -0.0002874900000000, -0.0003456400000000, 0.0000169400000000 ] - [ -0.0001488800000000, 0.0001236300000000, 0.0000062500000000 ] - [ 0.0000959700000000, -0.0001553500000000, -0.0001411200000000 ] - [ -0.0004615900000000, 0.0000134400000000, -0.0005749300000000 ] - [ 0.0001468700000000, 0.0005529000000000, 0.0003496100000000 ] - [ 0.0000460600000000, 0.0000623200000000, -0.0000011400000000 ] - [ -0.0000334100000000, 0.0000551200000000, -0.0000336000000000 ] - [ 0.0000791500000000, -0.0000642500000000, -0.0001460500000000 ] - [ -0.0000413600000000, -0.0000605800000000, 0.0000365600000000 ] - [ 0.0012188000000000, 0.0004342300000000, 0.0009360000000000 ] - [ -0.0002780300000000, 0.0000071700000000, -0.0001214900000000 ] - [ -0.0000662900000000, -0.0000810000000000, -0.0001486500000000 ] - [ 0.0000303100000000, 0.0000542500000000, -0.0000841900000000 ] - [ -0.0042418700000000, -0.0003659200000000, 0.0027128600000000 ] - [ 0.0022375500000000, -0.0008106600000000, -0.0063796500000000 ] - [ 0.0001567300000000, -0.0000786800000000, -0.0002569900000000 ] - [ -0.0339909100000000, 0.0118223600000000, -0.0422834000000000 ] - [ 0.0001668300000000, -0.0002134600000000, 0.0002646400000000 ] - [ -0.0001242700000000, -0.0001756000000000, -0.0002997500000000 ] - [ 0.0012733800000000, -0.0048402500000000, -0.0039271300000000 ] - [ 0.0001513000000000, 0.0001002100000000, 0.0002096600000000 ] - [ -0.0002635500000000, -0.0000930300000000, 0.0002833600000000 ] - [ 0.0002516500000000, -0.0006144100000000, 0.0003144600000000 ] - [ -0.0006320400000000, 0.0001992100000000, 0.0000890700000000 ] - [ 0.0000421400000000, -0.0004815900000000, -0.0000537600000000 ] - [ -0.0000579300000000, 0.0002448800000000, -0.0001436400000000 ] - [ 0.0000198100000000, 0.0002613700000000, 0.0001901900000000 ] - [ 0.0000949600000000, 0.0002834500000000, -0.0003024000000000 ] - [ -0.0003220400000000, -0.0001003900000000, -0.0002911200000000 ] - [ 0.0039531400000000, 0.0021829400000000, 0.0023072400000000 ] - [ 0.0004494400000000, -0.0006580500000000, 0.0000869200000000 ] - [ 0.0000210900000000, 0.0002177300000000, -0.0000135600000000 ] - [ -0.0013738800000000, -0.0026420500000000, -0.0031790600000000 ] - [ -0.0002301800000000, -0.0000849300000000, -0.0000439500000000 ] - [ 0.0002594800000000, -0.0004557100000000, -0.0001377300000000 ] - [ -0.0000221700000000, 0.0001489800000000, -0.0000004700000000 ] - [ 0.0000666600000000, -0.0002458500000000, 0.0000340900000000 ] - [ 0.0003883100000000, 0.0001325300000000, -0.0002276800000000 ] - [ 0.0001150500000000, 0.0001256600000000, 0.0002579600000000 ] - [ 0.0000172300000000, -0.0002350900000000, 0.0001671000000000 ] - [ -0.0001600600000000, 0.0000366900000000, -0.0000756800000000 ] - [ 0.0001667800000000, 0.0000017600000000, 0.0000150600000000 ] - [ -0.0000831800000000, 0.0001002900000000, -0.0001055000000000 ] - [ 0.0011609200000000, -0.0006065900000000, -0.0012234300000000 ] - [ -0.0000991400000000, 0.0001967600000000, 0.0000449100000000 ] - [ 0.0063410200000000, 0.0044908500000000, 0.1133954100000000 ] - [ 0.0031225000000000, 0.0006611900000000, -0.0006158100000000 ] - [ -0.0003370700000000, 0.0000281800000000, 0.0000142500000000 ] - [ 0.0001105700000000, -0.0003110700000000, -0.0001698900000000 ] - [ -0.0002858700000000, -0.0000517000000000, -0.0003343900000000 ] - [ 0.0000734300000000, 0.0002762000000000, 0.0001433000000000 ] - [ 0.0176771700000000, 0.0129888600000000, -0.0330203300000000 ] - [ -0.0003697800000000, -0.0000463900000000, -0.0000743100000000 ] - [ 0.0002402700000000, 0.0003780800000000, -0.0002926900000000 ] - [ -0.0004055200000000, 0.0001341400000000, -0.0001368200000000 ] - [ 0.0003999100000000, -0.0000846200000000, -0.0001358100000000 ] - [ -0.0001079200000000, 0.0003521300000000, 0.0000607000000000 ] - [ 0.0000235500000000, -0.0002237100000000, -0.0000035800000000 ] - [ 0.0000043500000000, -0.0003403500000000, -0.0000842900000000 ] - [ -0.0005906700000000, -0.0001221700000000, 0.0001333300000000 ] - [ 0.0002977100000000, 0.0000795200000000, 0.0000838200000000 ] - [ 0.0001198400000000, 0.0000315500000000, 0.0000329500000000 ] - [ -0.0001531900000000, -0.0003624400000000, -0.0004507100000000 ] - [ 0.0012440400000000, 0.0006256100000000, 0.0003064500000000 ] - [ -0.0000295500000000, -0.0000179600000000, -0.0000153800000000 ] - [ -0.0001494200000000, 0.0000057000000000, -0.0000685700000000 ] - [ 0.0000606700000000, -0.0002613100000000, 0.0000507700000000 ] - [ 0.0000857500000000, 0.0002449000000000, 0.0000143200000000 ] - [ 0.0000973900000000, -0.0001961400000000, -0.0003215600000000 ] - [ 0.0001194800000000, 0.0002040900000000, -0.0001647800000000 ] - [ -0.0001916700000000, 0.0001165800000000, -0.0002196000000000 ] - [ -0.0002011000000000, 0.0003087000000000, -0.0004363900000000 ] - [ -0.0000717800000000, 0.0001549900000000, 0.0002269800000000 ] - [ 0.0007334600000000, -0.0001855200000000, 0.0001136300000000 ] - [ -0.0000108000000000, 0.0002563700000000, -0.0001482100000000 ] - [ -0.0002014700000000, -0.0000557700000000, 0.0002525500000000 ] - [ 0.0002401100000000, 0.0000147100000000, 0.0001024500000000 ] - [ -0.0003455200000000, -0.0000670900000000, 0.0001961900000000 ] - [ 0.0001707800000000, -0.0000890400000000, 0.0001275100000000 ] - [ -0.0001531200000000, -0.0000525600000000, 0.0002194600000000 ] - [ 0.0002317100000000, 0.0000217200000000, -0.0001891700000000 ] - [ -0.0003307100000000, 0.0001251200000000, -0.0002373100000000 ] - [ -0.0000268700000000, 0.0003018500000000, 0.0002105200000000 ] - [ 0.0003178300000000, 0.0002433100000000, -0.0003907300000000 ] - [ -0.0001968300000000, -0.0001308100000000, -0.0001786100000000 ] - [ -0.0001480800000000, 0.0000629600000000, -0.0000615500000000 ] - [ -0.0000568800000000, -0.0001669500000000, 0.0000259700000000 ] - [ -0.0001796700000000, -0.0001251100000000, -0.0000007000000000 ] - [ 0.0000966100000000, 0.0000766900000000, 0.0000535400000000 ] - [ -0.0007811800000000, -0.0001924100000000, -0.0002200700000000 ] - [ 0.0001531700000000, -0.0000939100000000, 0.0001292700000000 ] - [ 0.0050182900000000, -0.0254335200000000, -0.0199530800000000 ] - [ -0.0002541800000000, 0.0000131900000000, -0.0000858600000000 ] - [ 0.0001838600000000, -0.0001341400000000, 0.0000440000000000 ] - [ 0.0002146800000000, 0.0003677800000000, 0.0000135900000000 ] - [ -0.0001315400000000, 0.0000018800000000, 0.0000589000000000 ] - [ -0.0002957700000000, 0.0000754500000000, 0.0001229900000000 ] - [ 0.0006812500000000, -0.0000619700000000, 0.0003448200000000 ] - [ -0.0003150100000000, -0.0000147000000000, -0.0001100600000000 ] - [ -0.0000375200000000, -0.0002787400000000, -0.0000608400000000 ] - [ -0.0001306700000000, 0.0000082100000000, -0.0001274300000000 ] - [ -0.0001187200000000, -0.0003191600000000, 0.0000430500000000 ] - [ 0.0003933300000000, -0.0001164700000000, 0.0000150300000000 ] - [ 0.0002889300000000, 0.0000114400000000, -0.0006007600000000 ] - [ 0.0017460100000000, 0.0015625500000000, 0.0001294100000000 ] - [ -0.0000774600000000, 0.0002977500000000, -0.0001229200000000 ] - [ -0.0004165700000000, 0.0001246600000000, 0.0004791600000000 ] - [ 0.0003528900000000, 0.0001061200000000, -0.0000827700000000 ] - [ -0.0002568000000000, -0.0005741400000000, 0.0001469400000000 ] - [ 0.0004387600000000, 0.0003928500000000, 0.0002364400000000 ] - [ -0.0002789700000000, 0.0000679600000000, -0.0001171800000000 ] - [ 0.0003230900000000, -0.0000482700000000, -0.0001166000000000 ] - [ -0.0000030900000000, 0.0003388100000000, 0.0000430500000000 ] - [ 0.0000432900000000, -0.0004888700000000, 0.0001713500000000 ] - [ -0.0000479700000000, -0.0002700500000000, -0.0000711800000000 ] - [ -0.0003688000000000, -0.0001416300000000, 0.0001327100000000 ] - [ 0.0003630400000000, 0.0001307400000000, 0.0000837900000000 ] - [ -0.0034501300000000, 0.0004563300000000, -0.0060529300000000 ] - [ -0.0002039700000000, 0.0002258500000000, 0.0000249100000000 ] - [ 0.0000392500000000, -0.0000898300000000, 0.0000689800000000 ] - [ -0.0002104400000000, -0.0000870200000000, -0.0002408300000000 ] - [ -0.0001203200000000, -0.0000402100000000, 0.0000493700000000 ] - [ 0.0000274900000000, -0.0000553300000000, 0.0000650500000000 ] - [ 0.0000401900000000, 0.0001013100000000, -0.0001058400000000 ] - [ 0.0001515800000000, 0.0000128200000000, 0.0000066800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000311900000000, 0.0000664900000000, -0.0000113900000000 ] - [ -0.0000404400000000, 0.0000462000000000, -0.0000070600000000 ] - [ 0.0001756700000000, -0.0001942700000000, -0.0002588900000000 ] - [ -0.0000404400000000, -0.0000462000000000, 0.0000070600000000 ] - [ 0.0016436600000000, -0.0023113400000000, -0.0021539300000000 ] - [ -0.0000218100000000, -0.0000834600000000, 0.0000718300000000 ] - [ -0.0000673100000000, -0.0001103900000000, 0.0000107500000000 ] - [ -0.0000218100000000, 0.0000834600000000, -0.0000718300000000 ] - [ 0.0001756700000000, 0.0001942700000000, 0.0002588900000000 ] - [ -0.0005523800000000, 0.0003457400000000, -0.0005656500000000 ] - [ 0.0000311900000000, -0.0000664900000000, 0.0000113900000000 ] - [ -0.0005523800000000, -0.0003457400000000, 0.0005656500000000 ] - [ -0.0000673100000000, 0.0001103900000000, -0.0000107500000000 ] - [ 0.0000921300000000, 0.0000111900000000, -0.0000540300000000 ] - [ 0.0016436600000000, 0.0023113400000000, 0.0021539300000000 ] - [ 0.0000921300000000, -0.0000111900000000, 0.0000540300000000 ] - [ 0.0000929500000000, 0.0002236800000000, -0.0001748100000000 ] - [ -0.0001500600000000, 0.0000963200000000, -0.0002118800000000 ] - [ 0.0002697400000000, -0.0005267000000000, 0.0000667500000000 ] - [ -0.0000606300000000, 0.0001482300000000, 0.0002836500000000 ] - [ 0.0000878200000000, -0.0001097200000000, 0.0004799100000000 ] - [ -0.0001708900000000, -0.0020608100000000, -0.0025496200000000 ] - [ -0.0001500600000000, -0.0000963200000000, 0.0002118800000000 ] - [ 0.0002697400000000, 0.0005267000000000, -0.0000667500000000 ] - [ 0.0001109900000000, -0.0002388400000000, 0.0001731300000000 ] - [ 0.0001961700000000, -0.0001283100000000, 0.0002187900000000 ] - [ -0.0001856500000000, 0.0000959400000000, 0.0002091200000000 ] - [ 0.0003317500000000, -0.0002212800000000, -0.0000349400000000 ] - [ -0.0001025400000000, 0.0000266600000000, -0.0002626400000000 ] - [ 0.0000178500000000, 0.0003434900000000, 0.0000650100000000 ] - [ 0.0001961700000000, 0.0001283100000000, -0.0002187900000000 ] - [ -0.0001856500000000, -0.0000959400000000, -0.0002091200000000 ] - [ -0.0000526000000000, 0.0001050400000000, -0.0000090100000000 ] - [ -0.0000589100000000, -0.0001403000000000, -0.0000327000000000 ] - [ 0.0000225900000000, 0.0001703500000000, 0.0000278000000000 ] - [ 0.0001182900000000, 0.0000216000000000, -0.0000541200000000 ] - [ -0.0000865200000000, 0.0001868300000000, -0.0001072600000000 ] - [ 0.0001182900000000, -0.0000216000000000, 0.0000541200000000 ] - [ 0.0421141400000000, -0.0152849400000000, 0.0247481800000000 ] - [ 0.0000225900000000, -0.0001703500000000, -0.0000278000000000 ] - [ 0.0000220300000000, -0.0001255900000000, 0.0001989900000000 ] - [ 0.0001217200000000, 0.0002339800000000, -0.0000085900000000 ] - [ -0.0000854200000000, -0.0001310800000000, 0.0000702100000000 ] - [ -0.0003637500000000, -0.0000044900000000, 0.0002927900000000 ] - [ 0.0002840500000000, 0.0000533300000000, 0.0000785500000000 ] - [ -0.0003637500000000, 0.0000044900000000, -0.0002927900000000 ] - [ 0.0000755200000000, -0.0000892600000000, -0.0000843300000000 ] - [ -0.0000854200000000, 0.0001310800000000, -0.0000702100000000 ] - [ -0.0001339600000000, -0.0003314500000000, 0.0000555900000000 ] - [ 0.0002740400000000, -0.0000994900000000, 0.0000839500000000 ] - [ 0.0001125400000000, 0.0002881000000000, 0.0005429300000000 ] - [ -0.0002191300000000, -0.0002337200000000, 0.0000359800000000 ] - [ -0.0001339600000000, 0.0003314500000000, -0.0000555900000000 ] - [ -0.0002191300000000, 0.0002337200000000, -0.0000359800000000 ] - [ 0.0002740400000000, 0.0000994900000000, -0.0000839500000000 ] - [ 0.0001125400000000, -0.0002881000000000, -0.0005429300000000 ] - [ -0.0002635100000000, 0.0003496200000000, -0.0000208100000000 ] - [ -0.0001728300000000, 0.0000333600000000, 0.0000680600000000 ] - [ 0.0003378000000000, -0.0001400600000000, -0.0001197000000000 ] - [ -0.0000620200000000, 0.0003362000000000, 0.0000236600000000 ] - [ -0.0002635100000000, -0.0003496200000000, 0.0000208100000000 ] - [ -0.0000620200000000, -0.0003362000000000, -0.0000236600000000 ] - [ -0.0001728300000000, -0.0000333600000000, -0.0000680600000000 ] - [ 0.0003378000000000, 0.0001400600000000, 0.0001197000000000 ] - [ -0.1146689000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000075400000000, 0.0000145200000000, -0.0001687700000000 ] - [ -0.0000075400000000, -0.0000145200000000, 0.0001687700000000 ] - [ 0.0001306100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000850100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001150200000000, -0.0000890600000000, 0.0001264100000000 ] - [ 0.0001150200000000, 0.0000890600000000, -0.0001264100000000 ] - [ 0.0000899300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000878200000000, 0.0001097200000000, -0.0004799100000000 ] - [ 0.0091605600000000, 0.0023835700000000, -0.0031261600000000 ] - [ 0.0001750300000000, -0.0001029200000000, -0.0003181700000000 ] - [ -0.0001708900000000, 0.0020608100000000, 0.0025496200000000 ] - [ 0.0000929500000000, -0.0002236800000000, 0.0001748100000000 ] - [ -0.0000606300000000, -0.0001482300000000, -0.0002836500000000 ] - [ 0.0091605600000000, -0.0023835700000000, 0.0031261600000000 ] - [ 0.0001750300000000, 0.0001029200000000, 0.0003181700000000 ] - [ -0.0001025400000000, -0.0000266600000000, 0.0002626400000000 ] - [ 0.0001862500000000, -0.0001424700000000, 0.0001886300000000 ] - [ 0.0009206800000000, -0.0007792800000000, -0.0011999400000000 ] - [ 0.0000178500000000, -0.0003434900000000, -0.0000650100000000 ] - [ 0.0001109900000000, 0.0002388400000000, -0.0001731300000000 ] - [ 0.0003317500000000, 0.0002212800000000, 0.0000349400000000 ] - [ 0.0001862500000000, 0.0001424700000000, -0.0001886300000000 ] - [ 0.0009206800000000, 0.0007792800000000, 0.0011999400000000 ] - [ -0.0000865200000000, -0.0001868300000000, 0.0001072600000000 ] - [ 0.0421141400000000, 0.0152849400000000, -0.0247481800000000 ] - [ 0.0000852600000000, 0.0002224800000000, -0.0000050300000000 ] - [ 0.0005934400000000, -0.0007736100000000, 0.0002425600000000 ] - [ -0.0000526000000000, -0.0001050400000000, 0.0000090100000000 ] - [ 0.0005934400000000, 0.0007736100000000, -0.0002425600000000 ] - [ -0.0000589100000000, 0.0001403000000000, 0.0000327000000000 ] - [ 0.0000852600000000, -0.0002224800000000, 0.0000050300000000 ] - [ 0.0002840500000000, -0.0000533300000000, -0.0000785500000000 ] - [ 0.0000755200000000, 0.0000892600000000, 0.0000843300000000 ] - [ 0.0006253200000000, -0.0001928800000000, 0.0002837300000000 ] - [ -0.0001783000000000, -0.0000886400000000, -0.0001302900000000 ] - [ 0.0000220300000000, 0.0001255900000000, -0.0001989900000000 ] - [ -0.0001783000000000, 0.0000886400000000, 0.0001302900000000 ] - [ 0.0001217200000000, -0.0002339800000000, 0.0000085900000000 ] - [ 0.0006253200000000, 0.0001928800000000, -0.0002837300000000 ] - [ 0.0020784200000000, 0.0004531500000000, 0.0036858900000000 ] - [ -0.0006474300000000, 0.0012308400000000, 0.0007985900000000 ] - [ -0.0003520200000000, -0.0001263700000000, -0.0000512400000000 ] - [ 0.0001068600000000, -0.0003528300000000, -0.0001457300000000 ] - [ 0.0020784200000000, -0.0004531500000000, -0.0036858900000000 ] - [ 0.0001068600000000, 0.0003528300000000, 0.0001457300000000 ] - [ -0.0006474300000000, -0.0012308400000000, -0.0007985900000000 ] - [ -0.0003520200000000, 0.0001263700000000, 0.0000512400000000 ] - [ -0.0000261800000000, 0.0004006100000000, -0.0000544800000000 ] - [ -0.0002386500000000, 0.0001048700000000, -0.0000740400000000 ] - [ 0.0003726500000000, -0.0000082800000000, 0.0000885000000000 ] - [ -0.0000568300000000, 0.0002604200000000, 0.0000740600000000 ] - [ -0.0000261800000000, -0.0004006100000000, 0.0000544800000000 ] - [ -0.0000568300000000, -0.0002604200000000, -0.0000740600000000 ] - [ -0.0002386500000000, -0.0001048700000000, 0.0000740400000000 ] - [ 0.0003726500000000, 0.0000082800000000, -0.0000885000000000 ] - [ 0.0001344100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000898300000000, 0.0000180300000000, -0.0000421500000000 ] - [ -0.0000898300000000, -0.0000180300000000, 0.0000421500000000 ] - [ -0.0000968200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001672600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000767700000000, -0.0000886900000000, -0.0001790200000000 ] - [ -0.0000767700000000, 0.0000886900000000, 0.0001790200000000 ] - [ 0.0014720900000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000725700000000, 0.0000383700000000, 0.0000118300000000 ] - [ -0.0000634000000000, 0.0000585000000000, 0.0000065000000000 ] - [ -0.0000686000000000, 0.0000903200000000, 0.0002596700000000 ] - [ -0.0000634000000000, -0.0000585000000000, -0.0000065000000000 ] - [ -0.0017541900000000, 0.0022349000000000, 0.0021898200000000 ] - [ 0.0001253300000000, -0.0000205600000000, -0.0000723800000000 ] - [ -0.0000383100000000, 0.0002139900000000, -0.0000108800000000 ] - [ 0.0001253300000000, 0.0000205600000000, 0.0000723800000000 ] - [ -0.0000686000000000, -0.0000903200000000, -0.0002596700000000 ] - [ 0.0004463000000000, -0.0002397700000000, 0.0005585800000000 ] - [ 0.0000725700000000, -0.0000383700000000, -0.0000118300000000 ] - [ 0.0004463000000000, 0.0002397700000000, -0.0005585800000000 ] - [ -0.0000383100000000, -0.0002139900000000, 0.0000108800000000 ] - [ 0.0000125300000000, -0.0001147800000000, 0.0000528500000000 ] - [ -0.0017541900000000, -0.0022349000000000, -0.0021898200000000 ] - [ 0.0000125300000000, 0.0001147800000000, -0.0000528500000000 ] - [ 0.0001192900000000, 0.0001311100000000, -0.0002643600000000 ] - [ -0.0002036000000000, 0.0001164100000000, -0.0002267200000000 ] - [ 0.0000876900000000, 0.0003114300000000, -0.0005026600000000 ] - [ -0.0001512700000000, 0.0002062000000000, 0.0001546900000000 ] - [ 0.0001156700000000, -0.0002418200000000, -0.0000330200000000 ] - [ -0.0000513900000000, 0.0016826500000000, 0.0020952100000000 ] - [ -0.0002036000000000, -0.0001164100000000, 0.0002267200000000 ] - [ 0.0000876900000000, -0.0003114300000000, 0.0005026600000000 ] - [ -0.0003276100000000, -0.0001141300000000, 0.0002691300000000 ] - [ 0.0001581500000000, -0.0000841300000000, 0.0002217800000000 ] - [ -0.0001688700000000, 0.0001167700000000, 0.0002303500000000 ] - [ -0.0001249400000000, -0.0001316700000000, -0.0004160100000000 ] - [ -0.0001111700000000, 0.0003255800000000, -0.0001766500000000 ] - [ 0.0001932900000000, 0.0000140000000000, 0.0003727200000000 ] - [ 0.0001581500000000, 0.0000841300000000, -0.0002217800000000 ] - [ -0.0001688700000000, -0.0001167700000000, -0.0002303500000000 ] - [ -0.0002857700000000, 0.0000411500000000, -0.0000335000000000 ] - [ -0.0000882200000000, -0.0001982000000000, -0.0000083500000000 ] - [ 0.0001234300000000, 0.0001667500000000, -0.0000693200000000 ] - [ 0.0002194600000000, 0.0001275100000000, 0.0000973900000000 ] - [ -0.0002450400000000, -0.0003334100000000, 0.0001514400000000 ] - [ 0.0002194600000000, -0.0001275100000000, -0.0000973900000000 ] - [ -0.0415569600000000, 0.0149895100000000, -0.0235861800000000 ] - [ 0.0001234300000000, -0.0001667500000000, 0.0000693200000000 ] - [ 0.0003220600000000, -0.0000189700000000, -0.0001628400000000 ] - [ 0.0000266200000000, 0.0001012000000000, 0.0000526100000000 ] - [ -0.0000627500000000, -0.0002068300000000, -0.0000282900000000 ] - [ 0.0000275700000000, -0.0001391600000000, -0.0003407500000000 ] - [ 0.0000559700000000, 0.0000984900000000, -0.0001206500000000 ] - [ 0.0000275700000000, 0.0001391600000000, 0.0003407500000000 ] - [ 0.0000728100000000, -0.0002478700000000, 0.0000422800000000 ] - [ -0.0000627500000000, 0.0002068300000000, 0.0000282900000000 ] - [ -0.0000000100000000, -0.0003375100000000, 0.0001011100000000 ] - [ 0.0003961300000000, -0.0000338800000000, 0.0000717500000000 ] - [ -0.0007783700000000, -0.0001516600000000, -0.0003812900000000 ] - [ 0.0003528000000000, -0.0004355500000000, -0.0001872300000000 ] - [ -0.0000000100000000, 0.0003375100000000, -0.0001011100000000 ] - [ 0.0003528000000000, 0.0004355500000000, 0.0001872300000000 ] - [ 0.0003961300000000, 0.0000338800000000, -0.0000717500000000 ] - [ -0.0007783700000000, 0.0001516600000000, 0.0003812900000000 ] - [ 0.0004016700000000, 0.0003237500000000, -0.0001372800000000 ] - [ -0.0004958000000000, 0.0001057700000000, -0.0002296900000000 ] - [ 0.0003307600000000, 0.0000052300000000, -0.0000369900000000 ] - [ -0.0000725800000000, 0.0003326700000000, 0.0001315800000000 ] - [ 0.0004016700000000, -0.0003237500000000, 0.0001372800000000 ] - [ -0.0000725800000000, -0.0003326700000000, -0.0001315800000000 ] - [ -0.0004958000000000, -0.0001057700000000, 0.0002296900000000 ] - [ 0.0003307600000000, -0.0000052300000000, 0.0000369900000000 ] - [ 0.1131333000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000087900000000, 0.0001792900000000, 0.0001683600000000 ] - [ 0.0000087900000000, -0.0001792900000000, -0.0001683600000000 ] - [ -0.0003252600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001099400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001188900000000, -0.0001050900000000, -0.0001291800000000 ] - [ -0.0001188900000000, 0.0001050900000000, 0.0001291800000000 ] - [ 0.0001043000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001156700000000, 0.0002418200000000, 0.0000330200000000 ] - [ -0.0093246100000000, -0.0021226400000000, 0.0026343000000000 ] - [ 0.0001791900000000, -0.0001087800000000, -0.0001221900000000 ] - [ -0.0000513900000000, -0.0016826500000000, -0.0020952100000000 ] - [ 0.0001192900000000, -0.0001311100000000, 0.0002643600000000 ] - [ -0.0001512700000000, -0.0002062000000000, -0.0001546900000000 ] - [ -0.0093246100000000, 0.0021226400000000, -0.0026343000000000 ] - [ 0.0001791900000000, 0.0001087800000000, 0.0001221900000000 ] - [ -0.0001111700000000, -0.0003255800000000, 0.0001766500000000 ] - [ 0.0001681200000000, -0.0000708200000000, 0.0002497700000000 ] - [ -0.0012859300000000, 0.0010163600000000, 0.0016629700000000 ] - [ 0.0001932900000000, -0.0000140000000000, -0.0003727200000000 ] - [ -0.0003276100000000, 0.0001141300000000, -0.0002691300000000 ] - [ -0.0001249400000000, 0.0001316700000000, 0.0004160100000000 ] - [ 0.0001681200000000, 0.0000708200000000, -0.0002497700000000 ] - [ -0.0012859300000000, -0.0010163600000000, -0.0016629700000000 ] - [ -0.0002450400000000, 0.0003334100000000, -0.0001514400000000 ] - [ -0.0415569600000000, -0.0149895100000000, 0.0235861800000000 ] - [ 0.0000615100000000, 0.0001158700000000, -0.0000367000000000 ] - [ -0.0002498400000000, 0.0009203900000000, -0.0001951900000000 ] - [ -0.0002857700000000, -0.0000411500000000, 0.0000335000000000 ] - [ -0.0002498400000000, -0.0009203900000000, 0.0001951900000000 ] - [ -0.0000882200000000, 0.0001982000000000, 0.0000083500000000 ] - [ 0.0000615100000000, -0.0001158700000000, 0.0000367000000000 ] - [ 0.0000559700000000, -0.0000984900000000, 0.0001206500000000 ] - [ 0.0000728100000000, 0.0002478700000000, -0.0000422800000000 ] - [ -0.0007909200000000, -0.0001468000000000, -0.0002367000000000 ] - [ -0.0001599100000000, -0.0000575300000000, 0.0000872300000000 ] - [ 0.0003220600000000, 0.0000189700000000, 0.0001628400000000 ] - [ -0.0001599100000000, 0.0000575300000000, -0.0000872300000000 ] - [ 0.0000266200000000, -0.0001012000000000, -0.0000526100000000 ] - [ -0.0007909200000000, 0.0001468000000000, 0.0002367000000000 ] - [ -0.0021962300000000, -0.0011038500000000, -0.0034910200000000 ] - [ 0.0013146600000000, -0.0013482100000000, -0.0006525200000000 ] - [ -0.0003171600000000, 0.0002629800000000, 0.0002055000000000 ] - [ 0.0000283500000000, -0.0003162600000000, -0.0000105900000000 ] - [ -0.0021962300000000, 0.0011038500000000, 0.0034910200000000 ] - [ 0.0000283500000000, 0.0003162600000000, 0.0000105900000000 ] - [ 0.0013146600000000, 0.0013482100000000, 0.0006525200000000 ] - [ -0.0003171600000000, -0.0002629800000000, -0.0002055000000000 ] - [ 0.0001605200000000, 0.0002696200000000, -0.0001001300000000 ] - [ -0.0004300100000000, 0.0000312900000000, -0.0000826800000000 ] - [ 0.0002987700000000, -0.0001282800000000, -0.0002482200000000 ] - [ -0.0000793000000000, 0.0004158900000000, 0.0000791700000000 ] - [ 0.0001605200000000, -0.0002696200000000, 0.0001001300000000 ] - [ -0.0000793000000000, -0.0004158900000000, -0.0000791700000000 ] - [ -0.0004300100000000, -0.0000312900000000, 0.0000826800000000 ] - [ 0.0002987700000000, 0.0001282800000000, 0.0002482200000000 ] - [ 0.0000603400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000864200000000, 0.0001773100000000, 0.0000400100000000 ] - [ 0.0000864200000000, -0.0001773100000000, -0.0000400100000000 ] - [ -0.0000981500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003658200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000759800000000, -0.0001044800000000, 0.0001757200000000 ] - [ 0.0000759800000000, 0.0001044800000000, -0.0001757200000000 ] - [ -0.0012803600000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000538500000000, 0.0000350400000000, 0.0000135100000000 ] - [ -0.0000593100000000, 0.0000255300000000, -0.0000100400000000 ] - [ -0.0000979900000000, 0.0001405400000000, -0.0000296800000000 ] - [ -0.0000443100000000, -0.0000785700000000, -0.0000095500000000 ] - [ -0.0010563300000000, 0.0052765500000000, 0.0027076200000000 ] - [ -0.0000643600000000, 0.0000298700000000, -0.0000453600000000 ] - [ -0.0000553200000000, 0.0000338500000000, -0.0000393600000000 ] - [ 0.0001662100000000, 0.0001334900000000, -0.0000456400000000 ] - [ 0.0002002300000000, 0.0002424900000000, -0.0000325300000000 ] - [ 0.0003896200000000, -0.0000569100000000, 0.0003564100000000 ] - [ 0.0000489300000000, -0.0000691200000000, 0.0000134600000000 ] - [ -0.0004924500000000, -0.0001615100000000, 0.0003577600000000 ] - [ -0.0000491500000000, -0.0000704400000000, -0.0000380800000000 ] - [ 0.0000665300000000, -0.0002401500000000, -0.0000089900000000 ] - [ 0.0008734000000000, 0.0052988000000000, 0.0025600800000000 ] - [ 0.0000361000000000, -0.0001397900000000, -0.0000093500000000 ] - [ 0.0001035200000000, 0.0001838200000000, -0.0002031400000000 ] - [ -0.0002411800000000, 0.0001294900000000, -0.0002048400000000 ] - [ -0.0001087400000000, -0.0005516600000000, -0.0000625000000000 ] - [ -0.0000169000000000, 0.0000969800000000, 0.0002774500000000 ] - [ 0.0005713500000000, 0.0000210200000000, 0.0012841400000000 ] - [ -0.0017438400000000, 0.0001540500000000, 0.0010263500000000 ] - [ -0.0001113700000000, -0.0000839600000000, 0.0002339400000000 ] - [ 0.0004603400000000, -0.0003437200000000, 0.0003805800000000 ] - [ -0.0001431200000000, 0.0002282000000000, 0.0001664300000000 ] - [ 0.0001962800000000, -0.0001360400000000, 0.0002991600000000 ] - [ -0.0001701000000000, 0.0000831800000000, 0.0001640300000000 ] - [ 0.0007530000000000, -0.0009753600000000, -0.0005062700000000 ] - [ -0.0001285900000000, 0.0000833600000000, -0.0002281200000000 ] - [ 0.0000724800000000, 0.0001522000000000, 0.0002203000000000 ] - [ 0.0001557500000000, 0.0000777900000000, -0.0001396500000000 ] - [ -0.0001824400000000, -0.0001300000000000, -0.0002761700000000 ] - [ -0.0002001700000000, 0.0000764200000000, -0.0000036800000000 ] - [ -0.0000578500000000, -0.0002087600000000, -0.0000087500000000 ] - [ 0.0001830000000000, 0.0003549800000000, -0.0000391700000000 ] - [ 0.0000948600000000, 0.0002679400000000, 0.0000010300000000 ] - [ -0.0002402600000000, -0.0001231500000000, -0.0003427400000000 ] - [ 0.0002419700000000, 0.0001204000000000, -0.0000369600000000 ] - [ -0.0173491700000000, 0.0149112800000000, -0.0146999600000000 ] - [ -0.0000304700000000, 0.0000158800000000, 0.0000011300000000 ] - [ 0.0002773800000000, 0.0001344200000000, -0.0001982600000000 ] - [ -0.0000691800000000, 0.0002458500000000, -0.0001003800000000 ] - [ -0.0001124600000000, -0.0001766000000000, -0.0000021800000000 ] - [ -0.0001579900000000, -0.0000250200000000, 0.0000683200000000 ] - [ 0.0002865900000000, -0.0000657600000000, 0.0001744600000000 ] - [ -0.0001826100000000, 0.0001217100000000, 0.0001055800000000 ] - [ 0.0001267100000000, -0.0000955100000000, -0.0000667300000000 ] - [ -0.0000374800000000, 0.0001623600000000, -0.0000415900000000 ] - [ -0.0001303400000000, -0.0002632600000000, 0.0000473800000000 ] - [ 0.0003695900000000, -0.0000819400000000, 0.0000383500000000 ] - [ -0.0000780300000000, 0.0002821600000000, -0.0000764200000000 ] - [ 0.0003898100000000, -0.0001602200000000, -0.0001597100000000 ] - [ -0.0000026800000000, 0.0004064900000000, -0.0001080400000000 ] - [ -0.0002523200000000, 0.0005050200000000, -0.0000060800000000 ] - [ 0.0002992000000000, 0.0000508000000000, -0.0001171700000000 ] - [ -0.0005979700000000, 0.0001542600000000, -0.0002265000000000 ] - [ 0.0001824500000000, 0.0004829300000000, -0.0000842700000000 ] - [ -0.0004721500000000, 0.0001479100000000, -0.0001663000000000 ] - [ 0.0003669200000000, -0.0000595500000000, -0.0000501900000000 ] - [ -0.0000684000000000, 0.0003482000000000, 0.0000901700000000 ] - [ -0.0000495500000000, -0.0001823200000000, 0.0000744500000000 ] - [ -0.0000653600000000, -0.0003204500000000, -0.0000654800000000 ] - [ -0.0001998600000000, 0.0000137400000000, -0.0000069300000000 ] - [ 0.0003027400000000, 0.0000738300000000, 0.0001051600000000 ] - [ 0.0000830800000000, -0.0369786600000000, 0.0281169600000000 ] - [ -0.0001516400000000, 0.0000885800000000, 0.0000915700000000 ] - [ 0.0001542800000000, -0.0001042100000000, 0.0000970500000000 ] - [ -0.0000973200000000, -0.0004849800000000, 0.0002863400000000 ] - [ -0.0000961600000000, -0.0000275500000000, 0.0000297600000000 ] - [ 0.0000165100000000, -0.0001727600000000, -0.0000295000000000 ] - [ -0.0000147100000000, 0.0000198700000000, -0.0000370500000000 ] - [ 0.0000966300000000, 0.0000148700000000, 0.0000219900000000 ] - [ -0.0003574200000000, 0.0003702400000000, 0.0008349600000000 ] - [ 0.0047212300000000, 0.0033875900000000, -0.0020440000000000 ] - [ 0.0000987600000000, -0.0000193100000000, -0.0001153600000000 ] - [ 0.0015193400000000, 0.0004790600000000, 0.0014548800000000 ] - [ 0.0001085800000000, -0.0001701700000000, 0.0002354500000000 ] - [ -0.0001966900000000, -0.0002555300000000, -0.0001624700000000 ] - [ -0.0050223800000000, 0.0032361500000000, -0.0016152700000000 ] - [ 0.0002535400000000, 0.0001931900000000, 0.0003255100000000 ] - [ -0.0000857000000000, -0.0002702300000000, 0.0002131600000000 ] - [ 0.0001367200000000, -0.0001603500000000, 0.0002050500000000 ] - [ -0.0010090600000000, 0.0001221200000000, 0.0004483700000000 ] - [ 0.0001429700000000, -0.0001984300000000, -0.0002210700000000 ] - [ -0.0000640500000000, 0.0005852900000000, -0.0002788000000000 ] - [ -0.0005500200000000, -0.0006416500000000, -0.0000707500000000 ] - [ 0.0002157300000000, 0.0000518300000000, -0.0002351900000000 ] - [ 0.0006579300000000, -0.0000789500000000, 0.0000163600000000 ] - [ -0.0000991800000000, 0.0000253500000000, -0.0003875300000000 ] - [ 0.0173090500000000, 0.0145692700000000, -0.0149632800000000 ] - [ 0.0000661400000000, 0.0001525700000000, -0.0000036800000000 ] - [ 0.0002883200000000, -0.0007916500000000, 0.0000032800000000 ] - [ -0.0001369000000000, -0.0000735200000000, 0.0000373300000000 ] - [ 0.0000472100000000, -0.0009540600000000, -0.0000346700000000 ] - [ -0.0000911200000000, 0.0001306100000000, 0.0000301800000000 ] - [ 0.0000841700000000, -0.0001853400000000, 0.0000346300000000 ] - [ 0.0000518000000000, -0.0002160500000000, 0.0002139000000000 ] - [ 0.0000228500000000, 0.0002439700000000, -0.0000269200000000 ] - [ -0.0000226800000000, -0.0003713900000000, 0.0001988900000000 ] - [ -0.0002283300000000, -0.0000511700000000, -0.0000120000000000 ] - [ 0.0000597000000000, 0.0002833400000000, -0.0002445600000000 ] - [ -0.0001115600000000, 0.0000978900000000, 0.0000261900000000 ] - [ 0.0002207600000000, -0.0000915500000000, -0.0001411800000000 ] - [ -0.0001204100000000, -0.0000339800000000, 0.0001541000000000 ] - [ -0.0013922500000000, -0.0034261600000000, -0.0003981400000000 ] - [ 0.0011622900000000, -0.0010127600000000, -0.0011629500000000 ] - [ -0.0001456800000000, 0.0000408300000000, -0.0001300000000000 ] - [ 0.0002060700000000, -0.0003817600000000, -0.0000957000000000 ] - [ 0.0012309600000000, -0.0028243800000000, -0.0004874500000000 ] - [ -0.0000710200000000, 0.0002871100000000, 0.0000593100000000 ] - [ -0.0005227300000000, -0.0008839000000000, -0.0012974200000000 ] - [ -0.0005252200000000, -0.0000921200000000, -0.0002813200000000 ] - [ 0.0000543900000000, 0.0004189700000000, -0.0000384900000000 ] - [ -0.0003472200000000, 0.0000644600000000, -0.0001182700000000 ] - [ 0.0000336300000000, 0.0001150200000000, -0.0000134300000000 ] - [ 0.0000363900000000, 0.0000982000000000, -0.0001193600000000 ] - [ 0.0000787800000000, -0.0002498900000000, 0.0001182800000000 ] - [ -0.0001679900000000, -0.0005663500000000, -0.0002718800000000 ] - [ -0.0003232800000000, -0.0000691200000000, 0.0000383800000000 ] - [ 0.0006351000000000, 0.0002486900000000, 0.0001360100000000 ] - [ 0.0000972300000000, 0.0000811100000000, 0.0001079000000000 ] - [ 0.0000615600000000, 0.0000077900000000, 0.0000103000000000 ] - [ -0.0000612300000000, -0.0001841100000000, 0.0000124900000000 ] - [ -0.0000970400000000, 0.0002563000000000, -0.0000570400000000 ] - [ -0.0000986900000000, -0.0001569400000000, -0.0001332900000000 ] - [ 0.0000158400000000, 0.0000204800000000, -0.0001273500000000 ] - [ -0.0000151500000000, 0.0002134700000000, -0.0001290300000000 ] - [ 0.0001062600000000, -0.0002283000000000, -0.0003446100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000559700000000, 0.0000699300000000, 0.0000167600000000 ] - [ -0.0000388300000000, 0.0000711600000000, -0.0000180900000000 ] - [ -0.0000324800000000, 0.0001307800000000, -0.0001475600000000 ] - [ -0.0000639100000000, -0.0000321900000000, -0.0000177500000000 ] - [ -0.0018575600000000, 0.0027099300000000, 0.0041356300000000 ] - [ -0.0000853300000000, -0.0000685100000000, -0.0000641500000000 ] - [ -0.0000437500000000, -0.0000947400000000, 0.0000004900000000 ] - [ 0.0001854200000000, 0.0000347900000000, -0.0000647300000000 ] - [ 0.0001391800000000, 0.0002399700000000, -0.0001500000000000 ] - [ -0.0004020700000000, 0.0000127700000000, 0.0000635900000000 ] - [ 0.0000474400000000, -0.0000343000000000, 0.0000172000000000 ] - [ 0.0003085000000000, -0.0000893800000000, 0.0000538300000000 ] - [ -0.0000591500000000, -0.0001960200000000, 0.0000002100000000 ] - [ 0.0000299600000000, -0.0001107900000000, 0.0000387000000000 ] - [ 0.0016638900000000, 0.0027069300000000, 0.0040077300000000 ] - [ 0.0000739100000000, -0.0000065200000000, 0.0000396900000000 ] - [ 0.0000991000000000, 0.0001837400000000, -0.0002118600000000 ] - [ -0.0001244100000000, 0.0001678500000000, -0.0001345900000000 ] - [ -0.0000409800000000, -0.0000987300000000, -0.0005314100000000 ] - [ -0.0000926400000000, 0.0001867200000000, 0.0002060900000000 ] - [ 0.0007137600000000, 0.0000702600000000, 0.0013510300000000 ] - [ -0.0027248900000000, 0.0032939200000000, 0.0020009200000000 ] - [ -0.0002290100000000, -0.0000492600000000, 0.0003057400000000 ] - [ 0.0003917800000000, 0.0001210000000000, -0.0000935500000000 ] - [ -0.0003225300000000, -0.0003066600000000, 0.0003719000000000 ] - [ -0.0000094300000000, -0.0001193000000000, 0.0002540700000000 ] - [ -0.0002408100000000, 0.0000257700000000, 0.0002043500000000 ] - [ -0.0005510900000000, 0.0000638000000000, 0.0002063900000000 ] - [ -0.0000465700000000, 0.0001122500000000, -0.0002248700000000 ] - [ 0.0001715900000000, 0.0000938900000000, 0.0003154800000000 ] - [ 0.0003623300000000, 0.0000951600000000, -0.0001856100000000 ] - [ -0.0001126900000000, -0.0001888800000000, -0.0002344100000000 ] - [ -0.0001059800000000, 0.0000561500000000, -0.0000915800000000 ] - [ -0.0001338300000000, -0.0001151500000000, 0.0000177600000000 ] - [ 0.0001442700000000, 0.0001845300000000, -0.0000870600000000 ] - [ 0.0001588200000000, 0.0001097800000000, 0.0000936800000000 ] - [ 0.0001036600000000, -0.0003964900000000, 0.0001555600000000 ] - [ 0.0001814400000000, -0.0000367300000000, 0.0000519200000000 ] - [ 0.0343648700000000, -0.0137047800000000, 0.0464057800000000 ] - [ -0.0000005900000000, -0.0001570600000000, -0.0000429100000000 ] - [ -0.0000029100000000, -0.0003267500000000, 0.0002040700000000 ] - [ 0.0002094900000000, 0.0001943600000000, -0.0002236900000000 ] - [ -0.0001105300000000, -0.0001477200000000, 0.0000270200000000 ] - [ 0.0002661600000000, -0.0000311200000000, -0.0003988100000000 ] - [ 0.0002439900000000, 0.0001886000000000, 0.0000117300000000 ] - [ -0.0006002400000000, 0.0001157700000000, -0.0003527700000000 ] - [ 0.0000879600000000, -0.0002285400000000, 0.0000035800000000 ] - [ -0.0000356500000000, 0.0001921900000000, -0.0000149700000000 ] - [ -0.0000676000000000, -0.0003790800000000, 0.0000449800000000 ] - [ 0.0003765200000000, -0.0000966600000000, 0.0000101500000000 ] - [ 0.0006961600000000, 0.0009147300000000, 0.0005354800000000 ] - [ 0.0002725800000000, -0.0001092400000000, 0.0001659200000000 ] - [ -0.0000679000000000, 0.0002914200000000, -0.0001118100000000 ] - [ -0.0001308100000000, 0.0005560200000000, 0.0003193500000000 ] - [ 0.0002952900000000, 0.0000385900000000, -0.0001461700000000 ] - [ -0.0013512000000000, 0.0007720500000000, 0.0003709100000000 ] - [ 0.0002128900000000, 0.0005026800000000, -0.0000137300000000 ] - [ -0.0002885800000000, -0.0000103800000000, -0.0000912200000000 ] - [ 0.0002997200000000, -0.0000558000000000, -0.0001411200000000 ] - [ -0.0000770400000000, 0.0003532300000000, 0.0000708400000000 ] - [ -0.0000695200000000, -0.0001746700000000, 0.0001469500000000 ] - [ -0.0000568200000000, -0.0003184700000000, -0.0000861000000000 ] - [ -0.0003878700000000, -0.0001458500000000, 0.0000667000000000 ] - [ 0.0003716500000000, 0.0000806700000000, 0.0000144900000000 ] - [ -0.0013124900000000, 0.0281252900000000, -0.1161942400000000 ] - [ -0.0000942700000000, 0.0002647700000000, 0.0002835900000000 ] - [ 0.0000943900000000, 0.0000720300000000, 0.0002830000000000 ] - [ -0.0000967700000000, -0.0002862600000000, 0.0002828200000000 ] - [ -0.0000963300000000, 0.0000295200000000, -0.0000138800000000 ] - [ 0.0001270400000000, 0.0000790800000000, 0.0001912200000000 ] - [ -0.0001296400000000, 0.0002747300000000, 0.0001898800000000 ] - [ 0.0000965500000000, -0.0000221000000000, 0.0000647400000000 ] - [ -0.0005072600000000, 0.0004284300000000, 0.0009204400000000 ] - [ -0.0022281500000000, -0.0024133900000000, -0.0023540200000000 ] - [ 0.0001440200000000, -0.0000658900000000, -0.0001968700000000 ] - [ 0.0025651200000000, 0.0036826300000000, 0.0025052600000000 ] - [ 0.0001151000000000, -0.0001718300000000, 0.0002270100000000 ] - [ -0.0001209800000000, -0.0001663600000000, -0.0002343900000000 ] - [ 0.0017916400000000, -0.0026171600000000, -0.0019234000000000 ] - [ 0.0002101300000000, 0.0001496500000000, 0.0002471400000000 ] - [ -0.0001665300000000, -0.0002378100000000, 0.0002136600000000 ] - [ 0.0001397200000000, -0.0001205700000000, 0.0002599800000000 ] - [ -0.0011939100000000, 0.0002001100000000, -0.0002686100000000 ] - [ 0.0000430700000000, -0.0002562400000000, -0.0001248100000000 ] - [ 0.0001000100000000, 0.0000472000000000, -0.0000730100000000 ] - [ 0.0007540900000000, 0.0004190000000000, 0.0006331800000000 ] - [ 0.0002143000000000, 0.0000929600000000, -0.0001809400000000 ] - [ 0.0008622900000000, 0.0000007300000000, -0.0006826800000000 ] - [ -0.0004449300000000, -0.0002529000000000, 0.0001199000000000 ] - [ -0.0330829500000000, -0.0132279300000000, 0.0451327000000000 ] - [ 0.0001128100000000, 0.0001772800000000, -0.0000287900000000 ] - [ 0.0009703600000000, -0.0017245600000000, -0.0000605100000000 ] - [ -0.0002332900000000, -0.0000879900000000, -0.0000481200000000 ] - [ -0.0006188700000000, -0.0018450400000000, -0.0001089600000000 ] - [ -0.0000096800000000, 0.0002228000000000, 0.0000608000000000 ] - [ 0.0000317700000000, -0.0001634300000000, 0.0000138300000000 ] - [ 0.0000916900000000, 0.0000461400000000, 0.0000548000000000 ] - [ 0.0000560100000000, 0.0001126300000000, 0.0000452200000000 ] - [ 0.0002855400000000, -0.0002655300000000, 0.0001721000000000 ] - [ -0.0001180100000000, 0.0000041200000000, -0.0001403800000000 ] - [ 0.0003395300000000, -0.0001780800000000, 0.0001556800000000 ] - [ -0.0002205600000000, 0.0001456400000000, -0.0000973900000000 ] - [ -0.0000648100000000, -0.0001457600000000, -0.0002664500000000 ] - [ -0.0004320300000000, 0.0000722400000000, 0.0001214600000000 ] - [ 0.0028717000000000, -0.0044297900000000, 0.0061713300000000 ] - [ 0.0008013400000000, 0.0002463100000000, -0.0002305800000000 ] - [ -0.0003218400000000, 0.0000985200000000, 0.0000525400000000 ] - [ 0.0001042000000000, -0.0003670100000000, -0.0000637600000000 ] - [ -0.0029483000000000, -0.0037104900000000, 0.0059441700000000 ] - [ 0.0000331300000000, 0.0003051500000000, 0.0000945300000000 ] - [ -0.0001265700000000, 0.0003970800000000, -0.0003985000000000 ] - [ -0.0003485300000000, -0.0000367200000000, -0.0001021200000000 ] - [ 0.0001479000000000, 0.0003222600000000, -0.0001288100000000 ] - [ -0.0002960300000000, 0.0001002700000000, 0.0000258400000000 ] - [ 0.0004243900000000, -0.0001679300000000, -0.0001276500000000 ] - [ 0.0001230200000000, 0.0003038600000000, 0.0004005700000000 ] - [ -0.0000122700000000, -0.0003492600000000, 0.0000309200000000 ] - [ -0.0002553500000000, -0.0003637000000000, 0.0002436700000000 ] - [ -0.0003764100000000, -0.0000327900000000, 0.0001841200000000 ] - [ 0.0002481300000000, -0.0000278800000000, 0.0000246600000000 ] - [ 0.0000963800000000, 0.0001079600000000, -0.0000372200000000 ] - [ -0.0000108200000000, 0.0001367100000000, 0.0001450200000000 ] - [ 0.0000123800000000, -0.0000548100000000, 0.0001396400000000 ] - [ -0.0000961800000000, 0.0000574600000000, -0.0000656400000000 ] - [ -0.0000943100000000, -0.0001333900000000, 0.0003966300000000 ] - [ 0.0000302600000000, -0.0002215400000000, 0.0001905100000000 ] - [ -0.0000365000000000, -0.0000346500000000, 0.0001911900000000 ] - [ 0.0000934500000000, 0.0003445700000000, -0.0006881100000000 ]