# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b2d72ad9-04b6-4af9-99d5-5e4b8497f1c6/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 HoTaO4 / C2/c (15) / materials id 4344](https://mdr.nims.go.jp/datasets/edf20671-e1c5-4346-82ca-63aeb94b3a70) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 3.458355285000000, -5.423389020000000, -0.000763500000000 ] # a - [ 3.458355285000000, 5.423389020000000, -0.000763500000000 ] # b - [ -3.274761560000000, 0.000000000000000, 3.822711759999999 ] # c points: - symbol: O # 1 coordinates: [ 0.786346040000000, 0.725558540000000, 0.281804780000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.274441460000000, 0.213653960000000, 0.218195220000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.213653960000000, 0.274441460000000, 0.718195220000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.725558540000000, 0.786346040000000, 0.781804780000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.370171410000000, 0.946862490000000, 0.659636410000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.053137510000000, 0.629828590000000, 0.840363590000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.629828590000000, 0.053137510000000, 0.340363590000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.946862490000000, 0.370171410000000, 0.159636410000000 ] mass: 15.999400 - symbol: Ho # 9 coordinates: [ 0.631976350000000, 0.368023650000000, 0.750000000000000 ] mass: 164.930320 - symbol: Ho # 10 coordinates: [ 0.368023650000000, 0.631976350000000, 0.250000000000000 ] mass: 164.930320 - symbol: Ta # 11 coordinates: [ 0.100888850000000, 0.899111150000000, 0.750000000000000 ] mass: 180.947880 - symbol: Ta # 12 coordinates: [ 0.899111150000000, 0.100888850000000, 0.250000000000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.144604743837898, -0.092193275856874, 0.123876997860282 ] # a* - [ 0.144604743837898, 0.092193275856874, 0.123876997860282 ] # b* - [ 0.000057763037787, 0.000000000000000, 0.261643886060542 ] # c*unit_cell: lattice: - [ 6.916710570000000, 0.000000000000000, -0.001527000000000 ] # a - [ 0.000000000000000, 10.846778040000000, 0.000000000000000 ] # b - [ -3.274761560000000, 0.000000000000000, 3.822711760000000 ] # c points: - symbol: O # 1 coordinates: [ 0.755952290000000, 0.969606250000000, 0.281804780000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.244047710000000, 0.969606250000000, 0.218195220000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.744047710000000, 0.530393750000000, 0.718195220000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.255952290000000, 0.530393750000000, 0.781804780000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.158516950000000, 0.788345540000000, 0.659636410000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.841483050000000, 0.788345540000000, 0.840363590000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.341483050000000, 0.711654460000000, 0.340363590000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.658516950000000, 0.711654460000000, 0.159636410000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.255952290000000, 0.469606250000000, 0.281804780000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.744047710000000, 0.469606250000000, 0.218195220000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 11 coordinates: [ 0.244047710000000, 0.030393750000000, 0.718195220000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 12 coordinates: [ 0.755952290000000, 0.030393750000000, 0.781804780000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.658516950000000, 0.288345540000000, 0.659636410000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 14 coordinates: [ 0.341483050000000, 0.288345540000000, 0.840363590000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 15 coordinates: [ 0.841483050000000, 0.211654460000000, 0.340363590000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 16 coordinates: [ 0.158516950000000, 0.211654460000000, 0.159636410000000 ] mass: 15.999400 reduced_to: 8 - symbol: Ho # 17 coordinates: [ 0.500000000000000, 0.868023650000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 17 - symbol: Ho # 18 coordinates: [ 0.000000000000000, 0.631976350000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 18 - symbol: Ho # 19 coordinates: [ 0.000000000000000, 0.368023650000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 17 - symbol: Ho # 20 coordinates: [ 0.500000000000000, 0.131976350000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 18 - symbol: Ta # 21 coordinates: [ 0.000000000000000, 0.899111150000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 22 coordinates: [ 0.500000000000000, 0.600888850000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 22 - symbol: Ta # 23 coordinates: [ 0.500000000000000, 0.399111150000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 24 coordinates: [ 0.000000000000000, 0.100888850000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 22supercell: lattice: - [ 13.833421140000000, 0.000000000000000, -0.003054000000000 ] # a - [ 0.000000000000000, 10.846778040000000, 0.000000000000000 ] # b - [ -9.824284680000000, 0.000000000000000, 11.468135279999998 ] # c points: - symbol: O # 1 coordinates: [ 0.377976145000000, 0.969606250000000, 0.093934926666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.877976145000000, 0.969606250000000, 0.093934926666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.377976145000000, 0.969606250000000, 0.427268260000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.877976145000000, 0.969606250000000, 0.427268260000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.377976145000000, 0.969606250000000, 0.760601593333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.877976145000000, 0.969606250000000, 0.760601593333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.122023855000000, 0.969606250000000, 0.072731740000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.622023855000000, 0.969606250000000, 0.072731740000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.122023855000000, 0.969606250000000, 0.406065073333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.622023855000000, 0.969606250000000, 0.406065073333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.122023855000000, 0.969606250000000, 0.739398406666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.622023855000000, 0.969606250000000, 0.739398406666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.372023855000000, 0.530393750000000, 0.239398406666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.872023855000000, 0.530393750000000, 0.239398406666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.372023855000000, 0.530393750000000, 0.572731740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.872023855000000, 0.530393750000000, 0.572731740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.372023855000000, 0.530393750000000, 0.906065073333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.872023855000000, 0.530393750000000, 0.906065073333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.127976145000000, 0.530393750000000, 0.260601593333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.627976145000000, 0.530393750000000, 0.260601593333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.127976145000000, 0.530393750000000, 0.593934926666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.627976145000000, 0.530393750000000, 0.593934926666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.127976145000000, 0.530393750000000, 0.927268260000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.627976145000000, 0.530393750000000, 0.927268260000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.079258475000000, 0.788345540000000, 0.219878803333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.579258475000000, 0.788345540000000, 0.219878803333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.079258475000000, 0.788345540000000, 0.553212136666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.579258475000000, 0.788345540000000, 0.553212136666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.079258475000000, 0.788345540000000, 0.886545470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.579258475000000, 0.788345540000000, 0.886545470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.420741525000000, 0.788345540000000, 0.280121196666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.920741525000000, 0.788345540000000, 0.280121196666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.420741525000000, 0.788345540000000, 0.613454530000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.920741525000000, 0.788345540000000, 0.613454530000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.420741525000000, 0.788345540000000, 0.946787863333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.920741525000000, 0.788345540000000, 0.946787863333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.170741525000000, 0.711654460000000, 0.113454530000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.670741525000000, 0.711654460000000, 0.113454530000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.170741525000000, 0.711654460000000, 0.446787863333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.670741525000000, 0.711654460000000, 0.446787863333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.170741525000000, 0.711654460000000, 0.780121196666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.670741525000000, 0.711654460000000, 0.780121196666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.329258475000000, 0.711654460000000, 0.053212136666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.829258475000000, 0.711654460000000, 0.053212136666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.329258475000000, 0.711654460000000, 0.386545470000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.829258475000000, 0.711654460000000, 0.386545470000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.329258475000000, 0.711654460000000, 0.719878803333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.829258475000000, 0.711654460000000, 0.719878803333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.127976145000000, 0.469606250000000, 0.093934926666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.627976145000000, 0.469606250000000, 0.093934926666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.127976145000000, 0.469606250000000, 0.427268260000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.627976145000000, 0.469606250000000, 0.427268260000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.127976145000000, 0.469606250000000, 0.760601593333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 54 coordinates: [ 0.627976145000000, 0.469606250000000, 0.760601593333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 55 coordinates: [ 0.372023855000000, 0.469606250000000, 0.072731740000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.872023855000000, 0.469606250000000, 0.072731740000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.372023855000000, 0.469606250000000, 0.406065073333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 58 coordinates: [ 0.872023855000000, 0.469606250000000, 0.406065073333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 59 coordinates: [ 0.372023855000000, 0.469606250000000, 0.739398406666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 60 coordinates: [ 0.872023855000000, 0.469606250000000, 0.739398406666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 61 coordinates: [ 0.122023855000000, 0.030393750000000, 0.239398406666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.622023855000000, 0.030393750000000, 0.239398406666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.122023855000000, 0.030393750000000, 0.572731740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.622023855000000, 0.030393750000000, 0.572731740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.122023855000000, 0.030393750000000, 0.906065073333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 66 coordinates: [ 0.622023855000000, 0.030393750000000, 0.906065073333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 67 coordinates: [ 0.377976145000000, 0.030393750000000, 0.260601593333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.877976145000000, 0.030393750000000, 0.260601593333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.377976145000000, 0.030393750000000, 0.593934926666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 70 coordinates: [ 0.877976145000000, 0.030393750000000, 0.593934926666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 71 coordinates: [ 0.377976145000000, 0.030393750000000, 0.927268260000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 72 coordinates: [ 0.877976145000000, 0.030393750000000, 0.927268260000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 73 coordinates: [ 0.329258475000000, 0.288345540000000, 0.219878803333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.829258475000000, 0.288345540000000, 0.219878803333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.329258475000000, 0.288345540000000, 0.553212136666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 76 coordinates: [ 0.829258475000000, 0.288345540000000, 0.553212136666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 77 coordinates: [ 0.329258475000000, 0.288345540000000, 0.886545470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 78 coordinates: [ 0.829258475000000, 0.288345540000000, 0.886545470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 79 coordinates: [ 0.170741525000000, 0.288345540000000, 0.280121196666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.670741525000000, 0.288345540000000, 0.280121196666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.170741525000000, 0.288345540000000, 0.613454530000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 82 coordinates: [ 0.670741525000000, 0.288345540000000, 0.613454530000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 83 coordinates: [ 0.170741525000000, 0.288345540000000, 0.946787863333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 84 coordinates: [ 0.670741525000000, 0.288345540000000, 0.946787863333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 85 coordinates: [ 0.420741525000000, 0.211654460000000, 0.113454530000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.920741525000000, 0.211654460000000, 0.113454530000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.420741525000000, 0.211654460000000, 0.446787863333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 88 coordinates: [ 0.920741525000000, 0.211654460000000, 0.446787863333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 89 coordinates: [ 0.420741525000000, 0.211654460000000, 0.780121196666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 90 coordinates: [ 0.920741525000000, 0.211654460000000, 0.780121196666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 91 coordinates: [ 0.079258475000000, 0.211654460000000, 0.053212136666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.579258475000000, 0.211654460000000, 0.053212136666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.079258475000000, 0.211654460000000, 0.386545470000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 94 coordinates: [ 0.579258475000000, 0.211654460000000, 0.386545470000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 95 coordinates: [ 0.079258475000000, 0.211654460000000, 0.719878803333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 96 coordinates: [ 0.579258475000000, 0.211654460000000, 0.719878803333333 ] mass: 15.999400 reduced_to: 43 - symbol: Ho # 97 coordinates: [ 0.250000000000000, 0.868023650000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 98 coordinates: [ 0.750000000000000, 0.868023650000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 99 coordinates: [ 0.250000000000000, 0.868023650000000, 0.583333333333333 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 100 coordinates: [ 0.750000000000000, 0.868023650000000, 0.583333333333333 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 101 coordinates: [ 0.250000000000000, 0.868023650000000, 0.916666666666667 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 102 coordinates: [ 0.750000000000000, 0.868023650000000, 0.916666666666667 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 103 coordinates: [ 0.000000000000000, 0.631976350000000, 0.083333333333333 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 104 coordinates: [ 0.500000000000000, 0.631976350000000, 0.083333333333333 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 105 coordinates: [ 0.000000000000000, 0.631976350000000, 0.416666666666667 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 106 coordinates: [ 0.500000000000000, 0.631976350000000, 0.416666666666667 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 107 coordinates: [ 0.000000000000000, 0.631976350000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 108 coordinates: [ 0.500000000000000, 0.631976350000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 109 coordinates: [ 0.000000000000000, 0.368023650000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 110 coordinates: [ 0.500000000000000, 0.368023650000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 111 coordinates: [ 0.000000000000000, 0.368023650000000, 0.583333333333333 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 112 coordinates: [ 0.500000000000000, 0.368023650000000, 0.583333333333333 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 113 coordinates: [ 0.000000000000000, 0.368023650000000, 0.916666666666667 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 114 coordinates: [ 0.500000000000000, 0.368023650000000, 0.916666666666667 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 115 coordinates: [ 0.250000000000000, 0.131976350000000, 0.083333333333333 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 116 coordinates: [ 0.750000000000000, 0.131976350000000, 0.083333333333333 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 117 coordinates: [ 0.250000000000000, 0.131976350000000, 0.416666666666667 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 118 coordinates: [ 0.750000000000000, 0.131976350000000, 0.416666666666667 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 119 coordinates: [ 0.250000000000000, 0.131976350000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 120 coordinates: [ 0.750000000000000, 0.131976350000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ta # 121 coordinates: [ 0.000000000000000, 0.899111150000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 122 coordinates: [ 0.500000000000000, 0.899111150000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 123 coordinates: [ 0.000000000000000, 0.899111150000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 124 coordinates: [ 0.500000000000000, 0.899111150000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 125 coordinates: [ 0.000000000000000, 0.899111150000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 126 coordinates: [ 0.500000000000000, 0.899111150000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 127 coordinates: [ 0.250000000000000, 0.600888850000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 128 coordinates: [ 0.750000000000000, 0.600888850000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 129 coordinates: [ 0.250000000000000, 0.600888850000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 130 coordinates: [ 0.750000000000000, 0.600888850000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 131 coordinates: [ 0.250000000000000, 0.600888850000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 132 coordinates: [ 0.750000000000000, 0.600888850000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 133 coordinates: [ 0.250000000000000, 0.399111150000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 134 coordinates: [ 0.750000000000000, 0.399111150000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 135 coordinates: [ 0.250000000000000, 0.399111150000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 136 coordinates: [ 0.750000000000000, 0.399111150000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 137 coordinates: [ 0.250000000000000, 0.399111150000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 138 coordinates: [ 0.750000000000000, 0.399111150000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 139 coordinates: [ 0.000000000000000, 0.100888850000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 140 coordinates: [ 0.500000000000000, 0.100888850000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 141 coordinates: [ 0.000000000000000, 0.100888850000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 142 coordinates: [ 0.500000000000000, 0.100888850000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 143 coordinates: [ 0.000000000000000, 0.100888850000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 144 coordinates: [ 0.500000000000000, 0.100888850000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127born_effective_charge:- # 1 (O) - [ -1.946281660000000, -0.260460290000000, 0.125556390000000 ] - [ -0.202136950000000, -2.113764210000000, 0.469763750000000 ] - [ 0.098167390000000, 0.567949380000000, -3.270359540000000 ]- # 2 (O) - [ -1.946281660000000, 0.260460290000000, 0.125556390000000 ] - [ 0.202136950000000, -2.113764210000000, -0.469763750000000 ] - [ 0.098167390000000, -0.567949380000000, -3.270359540000001 ]- # 3 (O) - [ -1.946281660000000, -0.260460290000000, 0.125556390000000 ] - [ -0.202136950000000, -2.113764210000000, 0.469763750000000 ] - [ 0.098167390000000, 0.567949380000000, -3.270359540000001 ]- # 4 (O) - [ -1.946281660000000, 0.260460290000000, 0.125556390000000 ] - [ 0.202136950000000, -2.113764210000000, -0.469763750000000 ] - [ 0.098167390000000, -0.567949380000000, -3.270359540000001 ]- # 5 (O) - [ -3.211083790000000, 0.916860260000000, 0.336412390000000 ] - [ 0.926318510000000, -2.577843290000000, -0.576427480000000 ] - [ 0.386620470000000, -0.490526800000000, -1.562869620000000 ]- # 6 (O) - [ -3.211083790000000, -0.916860260000000, 0.336412390000000 ] - [ -0.926318510000000, -2.577843290000000, 0.576427480000000 ] - [ 0.386620470000000, 0.490526800000000, -1.562869620000001 ]- # 7 (O) - [ -3.211083790000000, 0.916860260000000, 0.336412390000000 ] - [ 0.926318510000000, -2.577843290000000, -0.576427480000000 ] - [ 0.386620470000000, -0.490526800000000, -1.562869620000001 ]- # 8 (O) - [ -3.211083790000000, -0.916860260000000, 0.336412390000000 ] - [ -0.926318510000000, -2.577843290000000, 0.576427480000000 ] - [ 0.386620470000000, 0.490526800000000, -1.562869620000001 ]- # 9 (Ho) - [ 4.483964360000000, 0.000000000000000, 0.027016680000000 ] - [ 0.000000000000000, 3.884903050000000, 0.000000000000000 ] - [ 0.411201140000000, -0.000000000000000, 4.283607710000000 ]- # 10 (Ho) - [ 4.483964360000000, 0.000000000000000, 0.027016680000000 ] - [ 0.000000000000000, 3.884903050000000, 0.000000000000000 ] - [ 0.411201140000000, -0.000000000000000, 4.283607710000000 ]- # 11 (Ta) - [ 5.830766550000000, 0.000000000000000, -0.950954240000000 ] - [ 0.000000000000000, 5.498311940000000, -0.000000000000000 ] - [ -1.380776870000000, -0.000000000000000, 5.382850620000000 ]- # 12 (Ta) - [ 5.830766550000000, 0.000000000000000, -0.950954240000000 ] - [ 0.000000000000000, 5.498311940000000, -0.000000000000000 ] - [ -1.380776870000000, -0.000000000000000, 5.382850620000000 ]dielectric_constant: - [ 4.918653990000000, 0.000000000000000, -0.313220340000000 ] - [ 0.000000000000000, 4.622017250000000, 0.000000000000000 ] - [ -0.313215150000000, 0.000000000000000, 4.721794720000000 ]displacements:- atom: 1 displacement: [ 0.0099999997563037, 0.0000000000000000, -0.0000022076967763 ] forces: - [ -0.0764597000000000, 0.0036006700000000, -0.0116170700000000 ] - [ 0.0014697700000000, 0.0002432700000000, -0.0002132100000000 ] - [ 0.0011780300000000, 0.0009950400000000, -0.0021661500000000 ] - [ 0.0004600500000000, -0.0001109700000000, 0.0017072300000000 ] - [ 0.0011717700000000, 0.0001233600000000, -0.0023316500000000 ] - [ 0.0004560400000000, -0.0000502700000000, 0.0012780300000000 ] - [ 0.0054475100000000, 0.0006497100000000, 0.0019434700000000 ] - [ 0.0024048200000000, -0.0014644600000000, -0.0009186000000000 ] - [ 0.0006029500000000, 0.0001754500000000, -0.0001616800000000 ] - [ -0.0006153400000000, 0.0002267100000000, 0.0007435600000000 ] - [ -0.0013264000000000, 0.0002787800000000, 0.0007549400000000 ] - [ 0.0008520100000000, -0.0001163600000000, -0.0006017500000000 ] - [ -0.0004950500000000, -0.0002061500000000, -0.0002612100000000 ] - [ 0.0004434800000000, -0.0000637900000000, 0.0002688900000000 ] - [ 0.0002732700000000, -0.0000836800000000, -0.0003470700000000 ] - [ -0.0002650100000000, -0.0002858900000000, 0.0007381300000000 ] - [ -0.0007067700000000, -0.0002534500000000, -0.0002179700000000 ] - [ 0.0004997500000000, 0.0000508700000000, 0.0001585400000000 ] - [ 0.0005476900000000, -0.0003735200000000, -0.0003815500000000 ] - [ -0.0002953500000000, -0.0003116000000000, 0.0003252400000000 ] - [ -0.0000307300000000, -0.0001991800000000, -0.0000580500000000 ] - [ -0.0000322400000000, -0.0001069900000000, -0.0001950200000000 ] - [ -0.0002865700000000, 0.0001460000000000, 0.0004084600000000 ] - [ 0.0005501300000000, -0.0001478200000000, -0.0003555500000000 ] - [ 0.0015104000000000, -0.0003955400000000, -0.0003607200000000 ] - [ -0.0013717900000000, -0.0043797300000000, 0.0064894800000000 ] - [ 0.0000019100000000, -0.0002409900000000, 0.0000098300000000 ] - [ 0.0001038800000000, 0.0000002300000000, -0.0001262100000000 ] - [ -0.0005207200000000, 0.0009320900000000, 0.0009273000000000 ] - [ 0.0021861000000000, -0.0015503000000000, -0.0008699300000000 ] - [ -0.0056465800000000, -0.0000918000000000, -0.0038455800000000 ] - [ 0.0012220100000000, -0.0000822700000000, 0.0001588300000000 ] - [ 0.0006717500000000, 0.0000816300000000, -0.0002426900000000 ] - [ -0.0007748900000000, -0.0004205600000000, 0.0005055100000000 ] - [ -0.0004241400000000, -0.0021029100000000, -0.0008047500000000 ] - [ 0.0014971100000000, 0.0008025100000000, 0.0000128600000000 ] - [ -0.0000620400000000, 0.0010841300000000, 0.0000488500000000 ] - [ 0.0005805400000000, -0.0006013100000000, 0.0000127500000000 ] - [ 0.0004360500000000, -0.0000036900000000, -0.0000501100000000 ] - [ -0.0011692400000000, 0.0005778600000000, 0.0007459000000000 ] - [ -0.0010045100000000, 0.0014158600000000, 0.0009086900000000 ] - [ 0.0004772000000000, 0.0002196500000000, 0.0000478500000000 ] - [ -0.0017482000000000, 0.0042188400000000, 0.0001540600000000 ] - [ 0.0012333600000000, 0.0006080500000000, -0.0002544400000000 ] - [ 0.0005298900000000, 0.0008440900000000, -0.0005735700000000 ] - [ 0.0001213600000000, -0.0004125700000000, 0.0005851500000000 ] - [ -0.0000348300000000, -0.0001163800000000, -0.0004560600000000 ] - [ 0.0003876400000000, 0.0006271400000000, 0.0000466600000000 ] - [ 0.0002180700000000, -0.0000358600000000, -0.0000079100000000 ] - [ 0.0002117400000000, 0.0011444800000000, 0.0000457000000000 ] - [ 0.0003618000000000, 0.0003398300000000, -0.0003583400000000 ] - [ -0.0003682200000000, -0.0000499800000000, 0.0003131600000000 ] - [ -0.0003727900000000, 0.0002723400000000, 0.0000329400000000 ] - [ 0.0003534500000000, 0.0002647400000000, -0.0004873300000000 ] - [ -0.0010620600000000, 0.0012431800000000, 0.0000458300000000 ] - [ 0.0005677300000000, 0.0000905800000000, 0.0001668100000000 ] - [ 0.0001482300000000, -0.0001847900000000, -0.0004609100000000 ] - [ 0.0000087600000000, 0.0004787400000000, 0.0008351600000000 ] - [ -0.0000969200000000, 0.0004986000000000, -0.0007478700000000 ] - [ 0.0000017600000000, 0.0000633200000000, 0.0004891500000000 ] - [ 0.0010863200000000, 0.0000182800000000, -0.0007913000000000 ] - [ 0.0121775500000000, 0.0048180300000000, 0.0176905600000000 ] - [ -0.0001364100000000, -0.0005264500000000, -0.0000859300000000 ] - [ 0.0002649600000000, 0.0012524000000000, -0.0015011300000000 ] - [ 0.0035991300000000, -0.0025227000000000, 0.0113445300000000 ] - [ 0.0012005000000000, -0.0000387200000000, -0.0009847300000000 ] - [ 0.0084958300000000, -0.0069546100000000, -0.0226715400000000 ] - [ 0.0012048200000000, -0.0003390100000000, 0.0006149900000000 ] - [ 0.0006490100000000, -0.0004408100000000, -0.0012120500000000 ] - [ -0.0004165500000000, 0.0004342200000000, 0.0017491400000000 ] - [ 0.0085152700000000, 0.0039860800000000, -0.0186119900000000 ] - [ 0.0012085300000000, -0.0002381600000000, 0.0005165000000000 ] - [ 0.0000342200000000, -0.0031222100000000, -0.0021253400000000 ] - [ 0.0011926300000000, 0.0002646900000000, 0.0005757700000000 ] - [ 0.0007503500000000, -0.0004722600000000, -0.0005451500000000 ] - [ -0.0005132900000000, 0.0002519700000000, 0.0004997200000000 ] - [ -0.0018859500000000, 0.0014090600000000, -0.0006937500000000 ] - [ 0.0013267600000000, -0.0009691400000000, -0.0001539800000000 ] - [ 0.0006995800000000, -0.0003401100000000, -0.0001091400000000 ] - [ -0.0003822200000000, 0.0010600700000000, 0.0010886200000000 ] - [ 0.0000079900000000, 0.0004161300000000, -0.0002802500000000 ] - [ -0.0003284100000000, -0.0007862600000000, 0.0001513300000000 ] - [ -0.0024037600000000, -0.0029563800000000, 0.0019105000000000 ] - [ 0.0021462400000000, 0.0007865200000000, -0.0007212900000000 ] - [ -0.0100222000000000, 0.0075707500000000, 0.0017912300000000 ] - [ 0.0025664600000000, -0.0006089000000000, -0.0002939900000000 ] - [ 0.0010773200000000, -0.0006682700000000, -0.0005545400000000 ] - [ 0.0001229000000000, 0.0003558300000000, 0.0005345300000000 ] - [ 0.0008116400000000, 0.0001141800000000, -0.0007466000000000 ] - [ 0.0001979200000000, -0.0002830100000000, 0.0004748900000000 ] - [ 0.0061154700000000, -0.0002757600000000, 0.0005284300000000 ] - [ 0.0140324400000000, 0.0108122500000000, -0.0058176400000000 ] - [ 0.0010082000000000, 0.0004577700000000, -0.0002548000000000 ] - [ -0.0027771800000000, -0.0011607300000000, 0.0004322800000000 ] - [ -0.0018948500000000, -0.0005627300000000, 0.0002562300000000 ] - [ 0.0012904100000000, 0.0006376500000000, -0.0005985000000000 ] - [ -0.0035741900000000, -0.0031852500000000, 0.0027342800000000 ] - [ -0.0037722500000000, 0.0028945600000000, -0.0017892600000000 ] - [ -0.0004098600000000, 0.0005760200000000, 0.0009573800000000 ] - [ 0.0005385400000000, -0.0008342000000000, -0.0008815300000000 ] - [ 0.0106832600000000, -0.0011603900000000, -0.0032165500000000 ] - [ -0.0023031400000000, -0.0001901900000000, 0.0001073400000000 ] - [ -0.0012751200000000, -0.0004260300000000, 0.0001749700000000 ] - [ 0.0016917200000000, 0.0014501600000000, 0.0005488100000000 ] - [ -0.0005601900000000, -0.0001409100000000, -0.0002710500000000 ] - [ 0.0005274000000000, -0.0000314900000000, 0.0003732700000000 ] - [ 0.0003882300000000, -0.0005204300000000, -0.0011000500000000 ] - [ -0.0005849400000000, 0.0001983000000000, 0.0009242200000000 ] - [ -0.0014904100000000, 0.0002245000000000, 0.0002025900000000 ] - [ 0.0026219800000000, -0.0008688200000000, -0.0016953700000000 ] - [ 0.0004100900000000, 0.0002118500000000, -0.0007925100000000 ] - [ -0.0004982000000000, 0.0003136100000000, 0.0009575000000000 ] - [ -0.0005367900000000, 0.0009913500000000, -0.0008591800000000 ] - [ -0.0000458600000000, -0.0029687900000000, 0.0030694200000000 ] - [ 0.0053577000000000, 0.0051860600000000, -0.0011706500000000 ] - [ -0.0055344000000000, 0.0008430800000000, -0.0007610800000000 ] - [ -0.0016394100000000, 0.0000968100000000, 0.0009819300000000 ] - [ 0.0018984600000000, -0.0016713000000000, -0.0045171100000000 ] - [ 0.0018455400000000, -0.0020824500000000, 0.0036451300000000 ] - [ -0.0011491200000000, 0.0007855900000000, 0.0000516000000000 ] - [ -0.0026878700000000, 0.0001282800000000, 0.0006476400000000 ] - [ 0.0318766600000000, -0.0049430400000000, 0.0155137000000000 ] - [ 0.0011664300000000, 0.0003924600000000, -0.0016191400000000 ] - [ -0.0015366800000000, -0.0005445500000000, 0.0017448200000000 ] - [ -0.0034169100000000, -0.0027536700000000, -0.0037943800000000 ] - [ -0.0053558500000000, 0.0044617000000000, 0.0035373300000000 ] - [ -0.0001460900000000, -0.0026821400000000, 0.0001766400000000 ] - [ -0.0018841600000000, -0.0001407600000000, 0.0002139100000000 ] - [ -0.0012110000000000, -0.0003204400000000, 0.0007705400000000 ] - [ 0.0010893900000000, 0.0003549200000000, -0.0017315800000000 ] - [ 0.0013618800000000, -0.0003531200000000, 0.0002802400000000 ] - [ -0.0007700700000000, -0.0006239700000000, 0.0000113500000000 ] - [ -0.0015315500000000, 0.0019716100000000, 0.0009201200000000 ] - [ -0.0007561600000000, -0.0017049800000000, -0.0016088300000000 ] - [ -0.0007797800000000, 0.0000405700000000, 0.0007992000000000 ] - [ 0.0009140400000000, 0.0007820700000000, -0.0006068300000000 ] - [ 0.0040868200000000, -0.0002614100000000, -0.0001409000000000 ] - [ -0.0024867200000000, -0.0000352200000000, 0.0005608700000000 ] - [ -0.0058584100000000, 0.0001676300000000, 0.0014744300000000 ] - [ -0.0001801700000000, -0.0149202200000000, 0.0091894700000000 ] - [ -0.0012324300000000, -0.0004873100000000, -0.0005276000000000 ] - [ 0.0021595700000000, 0.0016595100000000, 0.0069352400000000 ] - [ 0.0022328800000000, 0.0012866900000000, -0.0053552800000000 ] - [ -0.0026824800000000, -0.0004008900000000, 0.0020933300000000 ]- atom: 1 displacement: [ -0.0099999997563037, 0.0000000000000000, 0.0000022076967763 ] forces: - [ 0.0761662200000000, -0.0050030800000000, 0.0115853500000000 ] - [ -0.0014461900000000, 0.0001152600000000, -0.0000106600000000 ] - [ -0.0010968300000000, -0.0006283900000000, 0.0019069000000000 ] - [ -0.0003884200000000, 0.0004713000000000, -0.0019513200000000 ] - [ -0.0011025700000000, 0.0002559200000000, 0.0021126800000000 ] - [ -0.0003924000000000, 0.0004342900000000, -0.0015031300000000 ] - [ -0.0055896800000000, -0.0002891500000000, -0.0017013400000000 ] - [ -0.0024574300000000, 0.0018082800000000, 0.0011676900000000 ] - [ -0.0006235200000000, 0.0001883800000000, 0.0003894300000000 ] - [ 0.0005890600000000, -0.0000125700000000, -0.0006636200000000 ] - [ 0.0012608500000000, 0.0000844900000000, -0.0005363100000000 ] - [ -0.0009129800000000, 0.0004904100000000, 0.0007957200000000 ] - [ 0.0004302600000000, -0.0001596100000000, 0.0004610100000000 ] - [ -0.0005058100000000, -0.0003152000000000, -0.0000512200000000 ] - [ -0.0003507400000000, -0.0002826700000000, 0.0005957300000000 ] - [ 0.0001883200000000, -0.0000778500000000, -0.0004819900000000 ] - [ 0.0006860700000000, -0.0001024200000000, 0.0004472000000000 ] - [ -0.0005160000000000, -0.0004192500000000, 0.0000776600000000 ] - [ -0.0004805900000000, -0.0000024200000000, 0.0001809500000000 ] - [ 0.0003525700000000, -0.0000548700000000, -0.0005342800000000 ] - [ 0.0000557900000000, -0.0001665300000000, -0.0001701200000000 ] - [ 0.0000541000000000, -0.0002606500000000, -0.0000466400000000 ] - [ 0.0003608700000000, -0.0005025600000000, -0.0006471800000000 ] - [ -0.0004788100000000, -0.0002159100000000, 0.0000954700000000 ] - [ -0.0011924600000000, -0.0001274700000000, 0.0000507800000000 ] - [ 0.0016000900000000, 0.0038538800000000, -0.0067463400000000 ] - [ 0.0002646500000000, -0.0002896400000000, -0.0002962800000000 ] - [ 0.0001786900000000, -0.0005322700000000, -0.0001689400000000 ] - [ 0.0007972700000000, -0.0014800500000000, -0.0012454800000000 ] - [ -0.0019167600000000, 0.0010019100000000, 0.0005513600000000 ] - [ 0.0054117600000000, -0.0004155800000000, 0.0041703800000000 ] - [ -0.0015381200000000, -0.0004417800000000, 0.0001575600000000 ] - [ -0.0009348000000000, -0.0006252400000000, 0.0005532900000000 ] - [ 0.0004999300000000, -0.0001250900000000, -0.0001926000000000 ] - [ 0.0001376600000000, 0.0015525500000000, 0.0010913600000000 ] - [ -0.0017702900000000, -0.0013387000000000, 0.0002768600000000 ] - [ -0.0001852100000000, -0.0005520700000000, 0.0002721300000000 ] - [ -0.0008688400000000, 0.0011517200000000, 0.0003112000000000 ] - [ -0.0007017500000000, 0.0005257600000000, 0.0003391600000000 ] - [ 0.0008854400000000, -0.0000326400000000, -0.0004586400000000 ] - [ 0.0006865300000000, -0.0008714800000000, -0.0005790600000000 ] - [ -0.0007897900000000, 0.0003026500000000, 0.0002606400000000 ] - [ 0.0020603700000000, -0.0035921600000000, -0.0004204300000000 ] - [ -0.0009643300000000, -0.0000817400000000, -0.0000300200000000 ] - [ -0.0002630800000000, -0.0003086200000000, 0.0002592700000000 ] - [ 0.0001358800000000, 0.0009601300000000, -0.0009048400000000 ] - [ 0.0003430700000000, 0.0006341700000000, 0.0001393300000000 ] - [ -0.0000635800000000, -0.0000944100000000, -0.0003715400000000 ] - [ -0.0001873500000000, 0.0004139300000000, -0.0002270300000000 ] - [ -0.0001937400000000, -0.0007643100000000, -0.0002760500000000 ] - [ -0.0002824300000000, 0.0000336800000000, 0.0001078300000000 ] - [ 0.0004395600000000, 0.0004198100000000, -0.0005687700000000 ] - [ 0.0004359100000000, 0.0001143700000000, -0.0002476800000000 ] - [ -0.0002908600000000, 0.0001180200000000, 0.0002682400000000 ] - [ 0.0009833000000000, -0.0008641500000000, 0.0002158400000000 ] - [ -0.0006382300000000, 0.0002807300000000, 0.0000957600000000 ] - [ -0.0001707000000000, 0.0005580200000000, 0.0006954400000000 ] - [ -0.0000303900000000, -0.0001074800000000, -0.0005969500000000 ] - [ 0.0000275100000000, -0.0001115100000000, 0.0009460500000000 ] - [ -0.0000644300000000, 0.0003161800000000, -0.0002824200000000 ] - [ -0.0011484000000000, -0.0004080900000000, 0.0010166400000000 ] - [ -0.0121261800000000, -0.0051303000000000, -0.0171623700000000 ] - [ 0.0000583700000000, 0.0001557900000000, 0.0003385500000000 ] - [ -0.0003243300000000, -0.0016300900000000, 0.0017474800000000 ] - [ -0.0036279300000000, 0.0021697900000000, -0.0111910200000000 ] - [ -0.0012203900000000, -0.0003302800000000, 0.0012065200000000 ] - [ -0.0084311100000000, 0.0066206200000000, 0.0226367300000000 ] - [ -0.0011372400000000, -0.0000441800000000, -0.0008148200000000 ] - [ -0.0006230700000000, 0.0000699200000000, 0.0009772800000000 ] - [ 0.0004293300000000, -0.0008121700000000, -0.0019946900000000 ] - [ -0.0084120700000000, -0.0042980400000000, 0.0181146000000000 ] - [ -0.0011336800000000, -0.0001314500000000, -0.0007871600000000 ] - [ 0.0002726800000000, 0.0026256100000000, 0.0018429800000000 ] - [ -0.0008759500000000, -0.0007818200000000, -0.0008795900000000 ] - [ -0.0004811900000000, -0.0000497700000000, 0.0002560900000000 ] - [ 0.0007818800000000, -0.0007762700000000, -0.0007888000000000 ] - [ 0.0021401300000000, -0.0019392400000000, 0.0003764300000000 ] - [ -0.0010458300000000, 0.0004198900000000, -0.0001676000000000 ] - [ -0.0010054100000000, -0.0001745400000000, 0.0004272000000000 ] - [ 0.0000522100000000, -0.0015840700000000, -0.0007630100000000 ] - [ -0.0002658700000000, -0.0009446400000000, 0.0005878000000000 ] - [ 0.0000655500000000, 0.0002470100000000, 0.0001619400000000 ] - [ 0.0021307900000000, 0.0024437600000000, -0.0016436600000000 ] - [ -0.0024031600000000, -0.0013067800000000, 0.0010003600000000 ] - [ 0.0096532900000000, -0.0070923400000000, -0.0014728900000000 ] - [ -0.0028329200000000, 0.0011544100000000, 0.0006139900000000 ] - [ -0.0013375700000000, 0.0011887400000000, 0.0008386500000000 ] - [ -0.0004047200000000, 0.0001793700000000, -0.0002444100000000 ] - [ -0.0011204500000000, 0.0004086200000000, 0.0010533100000000 ] - [ -0.0005223000000000, 0.0008120700000000, -0.0001573100000000 ] - [ -0.0058783400000000, 0.0008112400000000, -0.0008248600000000 ] - [ -0.0135069800000000, -0.0101286700000000, 0.0054426000000000 ] - [ -0.0007464300000000, 0.0000813700000000, -0.0000562500000000 ] - [ 0.0030442200000000, 0.0016873000000000, -0.0007437300000000 ] - [ 0.0022028300000000, 0.0010845100000000, -0.0005723700000000 ] - [ -0.0009782200000000, -0.0001185800000000, 0.0002817400000000 ] - [ 0.0035527100000000, 0.0032380000000000, -0.0027712400000000 ] - [ 0.0037962900000000, -0.0028343300000000, 0.0017782500000000 ] - [ 0.0004156600000000, -0.0005432100000000, -0.0009537300000000 ] - [ -0.0005316900000000, 0.0008477000000000, 0.0009258700000000 ] - [ -0.0106797200000000, 0.0012510500000000, 0.0032704400000000 ] - [ 0.0022994000000000, 0.0002319400000000, -0.0001025000000000 ] - [ 0.0012804600000000, 0.0003909300000000, -0.0001764100000000 ] - [ -0.0016602400000000, -0.0015036300000000, -0.0005737300000000 ] - [ 0.0005651900000000, 0.0001030600000000, 0.0002723200000000 ] - [ -0.0005383200000000, -0.0000251200000000, -0.0003481300000000 ] - [ -0.0003984200000000, 0.0004892300000000, 0.0010938700000000 ] - [ 0.0005795300000000, -0.0002300400000000, -0.0009246100000000 ] - [ 0.0014850700000000, -0.0001936500000000, -0.0002029000000000 ] - [ -0.0026260700000000, 0.0008839300000000, 0.0016928800000000 ] - [ -0.0004043400000000, -0.0001825600000000, 0.0007892900000000 ] - [ 0.0004962000000000, -0.0002752900000000, -0.0009566800000000 ] - [ 0.0005373700000000, -0.0009819700000000, 0.0008650400000000 ] - [ 0.0000441400000000, 0.0029718900000000, -0.0030498300000000 ] - [ -0.0057897000000000, -0.0046935000000000, 0.0011087100000000 ] - [ 0.0055025000000000, -0.0008650900000000, 0.0007514900000000 ] - [ 0.0016300000000000, -0.0001308900000000, -0.0009838400000000 ] - [ -0.0018629600000000, 0.0016602000000000, 0.0044983500000000 ] - [ -0.0018324500000000, 0.0020445400000000, -0.0036235700000000 ] - [ 0.0011598600000000, -0.0008087000000000, -0.0000327100000000 ] - [ 0.0026896600000000, 0.0003960200000000, -0.0006530800000000 ] - [ -0.0320739400000000, 0.0057901600000000, -0.0158276900000000 ] - [ -0.0011628500000000, 0.0001149200000000, 0.0016207400000000 ] - [ 0.0015171200000000, 0.0010500400000000, -0.0017241500000000 ] - [ 0.0034220600000000, 0.0032850800000000, 0.0038267700000000 ] - [ 0.0053513400000000, -0.0039225500000000, -0.0035230700000000 ] - [ 0.0000846900000000, 0.0021331700000000, -0.0001734600000000 ] - [ 0.0018866700000000, -0.0003670500000000, -0.0002126600000000 ] - [ 0.0012060800000000, -0.0001916100000000, -0.0007715900000000 ] - [ -0.0010708400000000, -0.0008794800000000, 0.0017383700000000 ] - [ -0.0013444500000000, -0.0001734600000000, -0.0002836800000000 ] - [ 0.0007655900000000, 0.0001048100000000, -0.0000053300000000 ] - [ 0.0015336000000000, -0.0014775300000000, -0.0009265300000000 ] - [ 0.0007682700000000, 0.0021988300000000, 0.0015945700000000 ] - [ 0.0007753000000000, 0.0004633700000000, -0.0007910700000000 ] - [ -0.0009171700000000, -0.0002850000000000, 0.0006226500000000 ] - [ -0.0040875500000000, 0.0007330400000000, 0.0001307800000000 ] - [ 0.0024834700000000, 0.0005267100000000, -0.0005628700000000 ] - [ 0.0058786400000000, -0.0006725400000000, -0.0014839800000000 ] - [ 0.0009242200000000, 0.0150320800000000, -0.0091599500000000 ] - [ 0.0012393300000000, -0.0000119600000000, 0.0005169200000000 ] - [ -0.0022057700000000, -0.0021035300000000, -0.0069165800000000 ] - [ -0.0022368800000000, -0.0017930100000000, 0.0053741000000000 ] - [ 0.0026688000000000, -0.0001100100000000, -0.0020796700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0041668100000000, -0.1137345700000000, 0.0358232700000000 ] - [ 0.0000735200000000, -0.0005376200000000, 0.0002545800000000 ] - [ -0.0000262000000000, -0.0005373500000000, 0.0003688400000000 ] - [ -0.0002058500000000, -0.0004199700000000, 0.0004037500000000 ] - [ 0.0008444300000000, -0.0005313700000000, -0.0010733500000000 ] - [ -0.0002587100000000, -0.0004123100000000, -0.0007993800000000 ] - [ -0.0005024400000000, -0.0026836800000000, -0.0002321900000000 ] - [ 0.0015973000000000, -0.0025932800000000, -0.0001572900000000 ] - [ -0.0000049400000000, 0.0000731400000000, 0.0001970500000000 ] - [ -0.0001310800000000, -0.0136819000000000, -0.0141839300000000 ] - [ -0.0001286100000000, -0.0019976000000000, 0.0015422100000000 ] - [ 0.0002706900000000, -0.0000737300000000, -0.0005196200000000 ] - [ -0.0000591400000000, 0.0021974300000000, -0.0012025800000000 ] - [ 0.0000940300000000, 0.0002549400000000, 0.0001405000000000 ] - [ 0.0000595500000000, 0.0000178300000000, -0.0001443300000000 ] - [ -0.0001422500000000, 0.0004159800000000, -0.0002672700000000 ] - [ -0.0000828100000000, 0.0012140400000000, 0.0003554200000000 ] - [ 0.0002232200000000, 0.0002912200000000, -0.0000732400000000 ] - [ -0.0000016500000000, 0.0002967600000000, 0.0000260700000000 ] - [ -0.0002903300000000, 0.0018640800000000, 0.0001669100000000 ] - [ -0.0000623000000000, 0.0001675600000000, 0.0001103200000000 ] - [ 0.0000272800000000, 0.0001671600000000, -0.0006496500000000 ] - [ 0.0001628100000000, 0.0018650300000000, 0.0017351300000000 ] - [ 0.0002220500000000, 0.0003017900000000, 0.0000422800000000 ] - [ 0.0008738000000000, -0.0005824900000000, -0.0002170900000000 ] - [ -0.0092871300000000, 0.0067335700000000, -0.0057726200000000 ] - [ -0.0002611800000000, -0.0003507700000000, -0.0000503800000000 ] - [ 0.0011942600000000, -0.0007149600000000, -0.0009587900000000 ] - [ 0.0027575600000000, -0.0010776800000000, 0.0003304300000000 ] - [ 0.0006057900000000, -0.0009910100000000, -0.0004443600000000 ] - [ 0.0057346100000000, 0.0045439600000000, -0.0041137400000000 ] - [ -0.0005825000000000, -0.0004680100000000, 0.0003055900000000 ] - [ 0.0002181500000000, -0.0002249200000000, -0.0000384500000000 ] - [ -0.0006248300000000, -0.0005719700000000, 0.0001392200000000 ] - [ -0.0044542100000000, -0.0016659500000000, 0.0018791800000000 ] - [ 0.0001356500000000, -0.0007026300000000, 0.0002740300000000 ] - [ 0.0022891700000000, 0.0001114300000000, 0.0004844400000000 ] - [ -0.0018184700000000, 0.0008025700000000, 0.0006143800000000 ] - [ -0.0000533400000000, 0.0001902800000000, 0.0001095300000000 ] - [ -0.0009391600000000, 0.0019459000000000, -0.0010590200000000 ] - [ -0.0014040800000000, 0.0034613500000000, 0.0021296100000000 ] - [ 0.0001378400000000, 0.0001980300000000, -0.0000665900000000 ] - [ 0.0047806900000000, 0.0181287600000000, 0.0025350700000000 ] - [ 0.0003079600000000, 0.0002536600000000, -0.0000724100000000 ] - [ 0.0014117000000000, 0.0008151100000000, -0.0006309600000000 ] - [ -0.0010597900000000, 0.0009030300000000, -0.0009128700000000 ] - [ -0.0003140300000000, 0.0002026800000000, 0.0000169600000000 ] - [ 0.0006845400000000, 0.0008548000000000, -0.0005554700000000 ] - [ 0.0009648600000000, 0.0018270700000000, -0.0006115900000000 ] - [ -0.0002117000000000, 0.0018297700000000, -0.0000042000000000 ] - [ 0.0001131600000000, 0.0005070100000000, -0.0001458200000000 ] - [ 0.0001172500000000, 0.0011764400000000, 0.0005578000000000 ] - [ -0.0002014500000000, 0.0011846200000000, -0.0008133500000000 ] - [ 0.0001845800000000, 0.0005122300000000, -0.0005519800000000 ] - [ -0.0010936400000000, 0.0046385900000000, 0.0004631100000000 ] - [ 0.0000577600000000, 0.0006445900000000, 0.0003583300000000 ] - [ 0.0003575800000000, 0.0007553900000000, 0.0004720200000000 ] - [ -0.0003029300000000, 0.0010229000000000, 0.0007785200000000 ] - [ -0.0003394100000000, 0.0008155200000000, -0.0005278600000000 ] - [ 0.0000929800000000, 0.0005384100000000, -0.0000574700000000 ] - [ 0.0001812000000000, -0.0008127000000000, 0.0008937200000000 ] - [ 0.0049176100000000, -0.0057778400000000, 0.0094205900000000 ] - [ -0.0003792000000000, -0.0006186000000000, 0.0000203500000000 ] - [ 0.0014032900000000, -0.0008712300000000, -0.0006091100000000 ] - [ -0.0023552900000000, -0.0024968200000000, -0.0048794900000000 ] - [ 0.0001315400000000, -0.0006214700000000, -0.0003933200000000 ] - [ -0.0040875800000000, -0.0044100300000000, 0.0089253100000000 ] - [ 0.0000856700000000, -0.0007485600000000, 0.0004781200000000 ] - [ 0.0002674800000000, -0.0004960400000000, -0.0005760200000000 ] - [ -0.0006117100000000, -0.0009889800000000, -0.0014117700000000 ] - [ 0.0068132000000000, -0.0044037900000000, -0.0104106500000000 ] - [ 0.0001871600000000, -0.0007441400000000, -0.0008329800000000 ] - [ -0.0019626500000000, 0.0029167300000000, 0.0025844700000000 ] - [ 0.0004917300000000, 0.0004535900000000, 0.0006791800000000 ] - [ 0.0002520100000000, -0.0001368400000000, -0.0002331200000000 ] - [ -0.0000378900000000, -0.0000306600000000, -0.0001088200000000 ] - [ -0.0004735100000000, 0.0012454200000000, -0.0015816300000000 ] - [ 0.0000842700000000, -0.0001169700000000, -0.0005130700000000 ] - [ -0.0001339000000000, 0.0000370400000000, 0.0004269000000000 ] - [ 0.0010864300000000, 0.0008961700000000, 0.0017907400000000 ] - [ -0.0000140100000000, 0.0002089000000000, -0.0002506600000000 ] - [ -0.0000336800000000, -0.0001097300000000, 0.0000398200000000 ] - [ -0.0000410200000000, 0.0026410100000000, -0.0022216600000000 ] - [ 0.0014188100000000, 0.0005780600000000, -0.0006038700000000 ] - [ 0.0056579600000000, 0.0296879700000000, 0.0046120000000000 ] - [ -0.0001161400000000, 0.0004455600000000, 0.0004182400000000 ] - [ 0.0006093200000000, -0.0004214200000000, 0.0000788900000000 ] - [ -0.0004165800000000, 0.0001086700000000, 0.0002847400000000 ] - [ 0.0005300400000000, -0.0000189900000000, -0.0006002400000000 ] - [ -0.0003035600000000, 0.0001551900000000, -0.0002375000000000 ] - [ -0.0066710500000000, 0.0006216700000000, -0.0009230000000000 ] - [ 0.0122318800000000, 0.0099926700000000, -0.0054726900000000 ] - [ 0.0001048900000000, 0.0001274600000000, 0.0000047200000000 ] - [ 0.0001247300000000, -0.0014449200000000, 0.0013103400000000 ] - [ -0.0000504200000000, 0.0000904700000000, -0.0006246400000000 ] - [ 0.0005372100000000, 0.0003583300000000, -0.0004249800000000 ] - [ -0.0040583200000000, 0.0029054500000000, 0.0004592100000000 ] - [ 0.0035051300000000, 0.0036411700000000, -0.0003435200000000 ] - [ 0.0001779300000000, 0.0006304900000000, 0.0002574700000000 ] - [ 0.0000784000000000, -0.0011258800000000, 0.0036526000000000 ] - [ 0.0012913900000000, 0.0133007200000000, 0.0072348200000000 ] - [ -0.0003707400000000, 0.0004499200000000, 0.0002739200000000 ] - [ -0.0012111500000000, -0.0004475100000000, -0.0001696900000000 ] - [ 0.0036283300000000, -0.0049367300000000, -0.0019603300000000 ] - [ 0.0005027800000000, -0.0004442700000000, -0.0002062000000000 ] - [ -0.0009998000000000, -0.0028080000000000, 0.0024018000000000 ] - [ -0.0003813300000000, -0.0006421000000000, -0.0006125800000000 ] - [ 0.0000434800000000, -0.0002167900000000, 0.0003748600000000 ] - [ -0.0002843300000000, -0.0005125800000000, -0.0004089100000000 ] - [ 0.0009561500000000, -0.0054886900000000, -0.0051468200000000 ] - [ 0.0002600000000000, -0.0004481500000000, 0.0001932400000000 ] - [ -0.0002053000000000, -0.0001885000000000, 0.0002908300000000 ] - [ 0.0003080000000000, -0.0017946400000000, 0.0007368000000000 ] - [ -0.0004355100000000, -0.0031987100000000, 0.0027206800000000 ] - [ 0.0100825600000000, 0.0086277700000000, 0.0016932900000000 ] - [ -0.0033144200000000, 0.0015313400000000, -0.0008063100000000 ] - [ -0.0002011100000000, 0.0000449400000000, -0.0002769000000000 ] - [ 0.0023410300000000, 0.0017490100000000, -0.0024523800000000 ] - [ 0.0005748400000000, -0.0003663900000000, 0.0029895000000000 ] - [ -0.0000257100000000, 0.0004119300000000, 0.0008469400000000 ] - [ -0.0001057900000000, 0.0013186100000000, -0.0005508300000000 ] - [ -0.0053597900000000, 0.0534462600000000, -0.0357326900000000 ] - [ 0.0008748000000000, 0.0008394600000000, -0.0007695400000000 ] - [ -0.0016165800000000, 0.0009013700000000, 0.0007489600000000 ] - [ -0.0012861500000000, 0.0035485400000000, 0.0004542000000000 ] - [ -0.0000651600000000, 0.0061017000000000, 0.0004874900000000 ] - [ -0.0070118400000000, -0.0091500700000000, 0.0002604600000000 ] - [ 0.0004538200000000, -0.0014498500000000, -0.0003462400000000 ] - [ -0.0008296400000000, -0.0010818100000000, 0.0001562900000000 ] - [ 0.0014253400000000, -0.0038363800000000, 0.0011739500000000 ] - [ 0.0016271900000000, -0.0021328600000000, -0.0005235300000000 ] - [ -0.0007518800000000, -0.0008270600000000, 0.0006947700000000 ] - [ 0.0009761000000000, -0.0030497900000000, -0.0004190000000000 ] - [ -0.0004042900000000, -0.0028969800000000, -0.0016604200000000 ] - [ -0.0001415800000000, -0.0003153700000000, 0.0004010800000000 ] - [ -0.0000360400000000, -0.0004289400000000, 0.0001174400000000 ] - [ 0.0008117900000000, -0.0056830300000000, 0.0019000300000000 ] - [ -0.0008866300000000, -0.0010462800000000, 0.0004059700000000 ] - [ 0.0019292000000000, 0.0023341500000000, -0.0006738400000000 ] - [ -0.0212951700000000, 0.0046215200000000, 0.0069194500000000 ] - [ 0.0002183500000000, 0.0001485900000000, -0.0005469900000000 ] - [ -0.0046609500000000, 0.0028813900000000, -0.0032471600000000 ] - [ -0.0002160000000000, 0.0004167100000000, 0.0031627900000000 ] - [ -0.0012570500000000, 0.0002002900000000, 0.0010794500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044592300000000, 0.1129137300000000, -0.0366791800000000 ] - [ -0.0000589000000000, 0.0009001900000000, -0.0004862400000000 ] - [ 0.0001018800000000, 0.0009063100000000, -0.0006330300000000 ] - [ 0.0002728400000000, 0.0007877400000000, -0.0006672300000000 ] - [ -0.0007835900000000, 0.0009122800000000, 0.0008629000000000 ] - [ 0.0003198600000000, 0.0007942000000000, 0.0005821700000000 ] - [ 0.0004422100000000, 0.0030368600000000, 0.0004996700000000 ] - [ -0.0016715100000000, 0.0029518500000000, 0.0004220100000000 ] - [ -0.0000133600000000, 0.0002912200000000, 0.0000347100000000 ] - [ 0.0001186700000000, 0.0141066500000000, 0.0145236500000000 ] - [ 0.0000695300000000, 0.0023850100000000, -0.0013410500000000 ] - [ -0.0003307100000000, 0.0004499600000000, 0.0007257700000000 ] - [ -0.0000071600000000, -0.0025707400000000, 0.0014225900000000 ] - [ -0.0001525300000000, -0.0006327800000000, 0.0000778000000000 ] - [ -0.0001335100000000, -0.0003834800000000, 0.0004003700000000 ] - [ 0.0000706300000000, -0.0007823500000000, 0.0005305800000000 ] - [ 0.0000720500000000, -0.0015705800000000, -0.0001297200000000 ] - [ -0.0002410000000000, -0.0006578100000000, 0.0003105500000000 ] - [ 0.0000616000000000, -0.0006714700000000, -0.0002311600000000 ] - [ 0.0003533500000000, -0.0022347800000000, -0.0003775100000000 ] - [ 0.0000853700000000, -0.0005334600000000, -0.0003448400000000 ] - [ -0.0000102300000000, -0.0005338800000000, 0.0004099000000000 ] - [ -0.0000993500000000, -0.0022330900000000, -0.0020042900000000 ] - [ -0.0001534500000000, -0.0006661200000000, -0.0003074000000000 ] - [ -0.0005638000000000, 0.0000636200000000, -0.0000903700000000 ] - [ 0.0096369700000000, -0.0072837800000000, 0.0055567500000000 ] - [ 0.0005299400000000, -0.0001791800000000, -0.0002349900000000 ] - [ -0.0009221600000000, 0.0001865200000000, 0.0006711700000000 ] - [ -0.0024977900000000, 0.0005416700000000, -0.0006436000000000 ] - [ -0.0003474600000000, 0.0004528000000000, 0.0001311100000000 ] - [ -0.0059890900000000, -0.0050560700000000, 0.0044767100000000 ] - [ 0.0002678100000000, -0.0000541200000000, 0.0000072300000000 ] - [ -0.0004801000000000, -0.0003172600000000, 0.0003477800000000 ] - [ 0.0003599500000000, 0.0000318900000000, 0.0001701500000000 ] - [ 0.0041850600000000, 0.0011389900000000, -0.0015915700000000 ] - [ -0.0004070100000000, 0.0001736000000000, 0.0000117300000000 ] - [ -0.0025688400000000, 0.0004497800000000, -0.0001631800000000 ] - [ 0.0015451700000000, -0.0002488300000000, -0.0002969400000000 ] - [ -0.0002137900000000, 0.0003378300000000, 0.0001788300000000 ] - [ 0.0006611800000000, -0.0014069900000000, 0.0013473100000000 ] - [ 0.0010931700000000, -0.0029247800000000, -0.0018068300000000 ] - [ -0.0004522800000000, 0.0003294400000000, 0.0003763600000000 ] - [ -0.0045464600000000, -0.0178336900000000, -0.0028835900000000 ] - [ -0.0000390900000000, 0.0002795300000000, -0.0002134000000000 ] - [ -0.0011514700000000, -0.0002751800000000, 0.0003200600000000 ] - [ 0.0013249800000000, -0.0003547200000000, 0.0005994200000000 ] - [ 0.0006258900000000, 0.0003220100000000, -0.0003310300000000 ] - [ -0.0003678000000000, -0.0003247700000000, 0.0002380300000000 ] - [ -0.0009497900000000, -0.0014608700000000, 0.0003762500000000 ] - [ 0.0002326600000000, -0.0014578700000000, -0.0002332300000000 ] - [ -0.0000389000000000, -0.0001369000000000, -0.0001089600000000 ] - [ -0.0000462500000000, -0.0008059500000000, -0.0008026100000000 ] - [ 0.0002638100000000, -0.0007987600000000, 0.0005862900000000 ] - [ -0.0001262500000000, -0.0001314600000000, 0.0003321000000000 ] - [ 0.0010185500000000, -0.0042599300000000, -0.0002079000000000 ] - [ -0.0001276500000000, -0.0002760800000000, -0.0000941700000000 ] - [ -0.0003795100000000, -0.0003848800000000, -0.0002298000000000 ] - [ 0.0002876300000000, -0.0006552800000000, -0.0005381700000000 ] - [ 0.0002767500000000, -0.0004328900000000, 0.0007323900000000 ] - [ -0.0001548000000000, -0.0001599500000000, 0.0002667900000000 ] - [ -0.0002396200000000, 0.0004260500000000, -0.0006699200000000 ] - [ -0.0050301500000000, 0.0052919500000000, -0.0092492500000000 ] - [ 0.0003079300000000, 0.0002531000000000, 0.0002390000000000 ] - [ -0.0014738400000000, 0.0005096300000000, 0.0008615400000000 ] - [ 0.0023443700000000, 0.0021040300000000, 0.0051359400000000 ] - [ -0.0001542500000000, 0.0002547400000000, 0.0006288800000000 ] - [ 0.0041859500000000, 0.0039316100000000, -0.0092404500000000 ] - [ -0.0000264600000000, 0.0003686600000000, -0.0006916900000000 ] - [ -0.0002479600000000, 0.0001291600000000, 0.0003418200000000 ] - [ 0.0006295700000000, 0.0006234000000000, 0.0011753900000000 ] - [ -0.0067624800000000, 0.0039388600000000, 0.0101910800000000 ] - [ -0.0001124300000000, 0.0003733900000000, 0.0005656500000000 ] - [ 0.0022577800000000, -0.0034263600000000, -0.0028795900000000 ] - [ -0.0001757200000000, -0.0009815600000000, -0.0009898600000000 ] - [ 0.0000165100000000, -0.0003900600000000, -0.0000535500000000 ] - [ 0.0003100000000000, -0.0005055300000000, -0.0001831800000000 ] - [ 0.0007480500000000, -0.0017926500000000, 0.0012529500000000 ] - [ 0.0001840700000000, -0.0004299700000000, 0.0001950700000000 ] - [ -0.0001793400000000, -0.0005602900000000, -0.0001083500000000 ] - [ -0.0013914300000000, -0.0014292600000000, -0.0014627400000000 ] - [ -0.0002454300000000, -0.0007491200000000, 0.0005619200000000 ] - [ -0.0002304700000000, -0.0004334900000000, 0.0002724100000000 ] - [ -0.0002395300000000, -0.0031678800000000, 0.0024969200000000 ] - [ -0.0016910600000000, -0.0011116900000000, 0.0008897700000000 ] - [ -0.0058070800000000, -0.0285015200000000, -0.0042105200000000 ] - [ -0.0001537100000000, 0.0000957900000000, -0.0001029600000000 ] - [ -0.0008724600000000, 0.0009470900000000, 0.0002060900000000 ] - [ 0.0001420300000000, 0.0004227900000000, 0.0000008600000000 ] - [ -0.0008408400000000, 0.0005398000000000, 0.0009095600000000 ] - [ -0.0000136800000000, 0.0003684000000000, 0.0005497600000000 ] - [ 0.0068594900000000, -0.0000825100000000, 0.0006238500000000 ] - [ -0.0118980500000000, -0.0093514800000000, 0.0051441000000000 ] - [ 0.0001535300000000, 0.0004112800000000, -0.0003138400000000 ] - [ 0.0001302300000000, 0.0019688200000000, -0.0016140800000000 ] - [ 0.0003587100000000, 0.0004302600000000, 0.0003103000000000 ] - [ -0.0002308800000000, 0.0001602600000000, 0.0001124000000000 ] - [ 0.0040272200000000, -0.0028892700000000, -0.0004709300000000 ] - [ -0.0034838300000000, -0.0036327500000000, 0.0003488000000000 ] - [ -0.0001727400000000, -0.0006077800000000, -0.0002587900000000 ] - [ -0.0000711600000000, 0.0011519300000000, -0.0036432500000000 ] - [ -0.0013083600000000, -0.0134008300000000, -0.0077139600000000 ] - [ 0.0003724000000000, -0.0004166800000000, -0.0002708800000000 ] - [ 0.0012297000000000, 0.0004140000000000, 0.0001714100000000 ] - [ -0.0036396300000000, 0.0048933300000000, 0.0019500700000000 ] - [ -0.0005030400000000, 0.0004105300000000, 0.0002083600000000 ] - [ 0.0009947200000000, 0.0027608200000000, -0.0023941600000000 ] - [ 0.0003760000000000, 0.0006083300000000, 0.0006131100000000 ] - [ -0.0000484000000000, 0.0001859600000000, -0.0003804500000000 ] - [ 0.0002841400000000, 0.0005434300000000, 0.0004100900000000 ] - [ -0.0009532300000000, 0.0054761700000000, 0.0050876400000000 ] - [ -0.0002570500000000, 0.0004815600000000, -0.0001954700000000 ] - [ 0.0002059900000000, 0.0002274500000000, -0.0002956100000000 ] - [ -0.0003006800000000, 0.0018109300000000, -0.0007270100000000 ] - [ 0.0004226500000000, 0.0032270600000000, -0.0027187300000000 ] - [ -0.0105204400000000, -0.0080641200000000, -0.0017289400000000 ] - [ 0.0033177100000000, -0.0015550500000000, 0.0008061600000000 ] - [ 0.0001934500000000, -0.0000718400000000, 0.0002733100000000 ] - [ -0.0023414800000000, -0.0017574200000000, 0.0024706700000000 ] - [ -0.0005717300000000, 0.0003509300000000, -0.0029948000000000 ] - [ 0.0000396500000000, -0.0004297400000000, -0.0008330200000000 ] - [ 0.0001128000000000, -0.0008082600000000, 0.0005486400000000 ] - [ 0.0054122600000000, -0.0529291000000000, 0.0367290700000000 ] - [ -0.0008801200000000, -0.0003443900000000, 0.0007844900000000 ] - [ 0.0016069100000000, -0.0004090600000000, -0.0007367000000000 ] - [ 0.0012849900000000, -0.0030547500000000, -0.0004646400000000 ] - [ 0.0000887300000000, -0.0056149100000000, -0.0005056700000000 ] - [ 0.0070484800000000, 0.0086511900000000, -0.0002647500000000 ] - [ -0.0004567000000000, 0.0009472100000000, 0.0003535100000000 ] - [ 0.0008331700000000, 0.0005754900000000, -0.0001612100000000 ] - [ -0.0014166400000000, 0.0033302200000000, -0.0011797300000000 ] - [ -0.0016251300000000, 0.0016103600000000, 0.0005263500000000 ] - [ 0.0007559300000000, 0.0003121600000000, -0.0006936800000000 ] - [ -0.0009582700000000, 0.0035538800000000, 0.0004026100000000 ] - [ 0.0003995200000000, 0.0034012300000000, 0.0016586000000000 ] - [ 0.0001383900000000, 0.0008213200000000, -0.0003952500000000 ] - [ 0.0000323700000000, 0.0009320100000000, -0.0001088200000000 ] - [ -0.0008171700000000, 0.0061615100000000, -0.0018611200000000 ] - [ 0.0008983300000000, 0.0015420500000000, -0.0004117300000000 ] - [ -0.0019113700000000, -0.0028045100000000, 0.0006678700000000 ] - [ 0.0218287300000000, -0.0046567600000000, -0.0069332800000000 ] - [ -0.0002098000000000, -0.0006376700000000, 0.0005421700000000 ] - [ 0.0046706600000000, -0.0033609100000000, 0.0032799200000000 ] - [ 0.0002139300000000, -0.0009208000000000, -0.0031633200000000 ] - [ 0.0012541200000000, -0.0007030800000000, -0.0010793600000000 ]- atom: 1 displacement: [ -0.0065057964755441, 0.0000000000000000, 0.0075943803051203 ] forces: - [ 0.0403728100000000, 0.0255768600000000, -0.1616257500000000 ] - [ -0.0010138800000000, 0.0004222000000000, -0.0007670900000000 ] - [ -0.0023971900000000, -0.0010869900000000, 0.0033455600000000 ] - [ 0.0008135900000000, -0.0001507000000000, 0.0008563500000000 ] - [ -0.0022501800000000, 0.0006079900000000, 0.0034714400000000 ] - [ 0.0011481400000000, 0.0007535300000000, 0.0011731400000000 ] - [ -0.0022301100000000, 0.0001592800000000, -0.0033382400000000 ] - [ -0.0024091700000000, 0.0014708500000000, -0.0021945900000000 ] - [ -0.0006183800000000, 0.0001226900000000, 0.0007318500000000 ] - [ 0.0009103200000000, 0.0110224600000000, 0.0154559000000000 ] - [ 0.0012992700000000, -0.0009693400000000, 0.0054000000000000 ] - [ -0.0011348500000000, 0.0008568700000000, 0.0020516200000000 ] - [ -0.0000066300000000, -0.0011710300000000, -0.0010138200000000 ] - [ -0.0002178300000000, -0.0002479400000000, -0.0001626200000000 ] - [ -0.0005978500000000, -0.0004530000000000, 0.0011194600000000 ] - [ 0.0005754000000000, -0.0004183800000000, 0.0011546200000000 ] - [ 0.0001888500000000, 0.0000495800000000, -0.0009070800000000 ] - [ -0.0003060700000000, -0.0004827100000000, 0.0002819900000000 ] - [ -0.0004727300000000, -0.0002013000000000, -0.0002835700000000 ] - [ 0.0006410400000000, -0.0015263000000000, -0.0010020100000000 ] - [ -0.0000177600000000, 0.0002306500000000, 0.0011161200000000 ] - [ 0.0000806900000000, -0.0004059500000000, 0.0012015400000000 ] - [ 0.0005732000000000, -0.0005984300000000, -0.0010776100000000 ] - [ -0.0005140600000000, -0.0003023900000000, -0.0003445400000000 ] - [ -0.0017087000000000, -0.0003291100000000, -0.0003839100000000 ] - [ 0.0148333200000000, -0.0085993700000000, -0.0083892200000000 ] - [ 0.0000102700000000, -0.0000764600000000, 0.0005578300000000 ] - [ -0.0007515200000000, -0.0003957800000000, 0.0010226300000000 ] - [ 0.0050746700000000, 0.0002033500000000, -0.0005212800000000 ] - [ -0.0032638300000000, 0.0018338900000000, 0.0008336300000000 ] - [ -0.0109725000000000, -0.0102545800000000, 0.0044274600000000 ] - [ -0.0002663300000000, -0.0005118300000000, 0.0002031200000000 ] - [ -0.0019636000000000, -0.0011058600000000, 0.0011075300000000 ] - [ 0.0016285200000000, 0.0000993900000000, 0.0008703600000000 ] - [ -0.0045636000000000, 0.0030371800000000, 0.0000016200000000 ] - [ 0.0001507800000000, 0.0000763200000000, -0.0003202100000000 ] - [ -0.0003562000000000, -0.0012848800000000, -0.0017933200000000 ] - [ 0.0004464400000000, 0.0002773300000000, -0.0010705300000000 ] - [ -0.0009980100000000, 0.0007208400000000, 0.0006561900000000 ] - [ 0.0018237200000000, -0.0016058600000000, 0.0011691500000000 ] - [ -0.0016879500000000, 0.0070229400000000, 0.0049158600000000 ] - [ -0.0009318900000000, 0.0003845500000000, 0.0006975800000000 ] - [ 0.0022959400000000, 0.0021230400000000, -0.0048620100000000 ] - [ -0.0004849100000000, 0.0002175900000000, -0.0004502200000000 ] - [ -0.0020737800000000, -0.0011716700000000, 0.0008171400000000 ] - [ 0.0015926400000000, 0.0000993600000000, 0.0005269600000000 ] - [ -0.0007643500000000, 0.0003506600000000, 0.0007637300000000 ] - [ 0.0005435700000000, -0.0003478600000000, 0.0007554000000000 ] - [ 0.0000038900000000, 0.0004159800000000, -0.0009011100000000 ] - [ -0.0000409000000000, -0.0008164100000000, -0.0009324700000000 ] - [ -0.0004594500000000, -0.0002525800000000, 0.0005090600000000 ] - [ 0.0004042400000000, -0.0002002000000000, -0.0001537000000000 ] - [ 0.0006270800000000, 0.0006493900000000, 0.0000703100000000 ] - [ -0.0003560700000000, 0.0001257900000000, 0.0006253700000000 ] - [ 0.0005613700000000, -0.0007609900000000, -0.0010602300000000 ] - [ -0.0003988700000000, 0.0000712000000000, -0.0001814300000000 ] - [ -0.0005537400000000, 0.0001554900000000, 0.0002423900000000 ] - [ 0.0005232200000000, -0.0005119500000000, -0.0001290900000000 ] - [ -0.0006337400000000, 0.0004669600000000, 0.0012728500000000 ] - [ 0.0002424100000000, 0.0003909500000000, 0.0006497500000000 ] - [ -0.0014455500000000, 0.0002670200000000, -0.0005163000000000 ] - [ 0.0052222800000000, 0.0036466900000000, -0.0104213400000000 ] - [ -0.0001351200000000, -0.0000420500000000, 0.0019706400000000 ] - [ -0.0014601500000000, -0.0016841500000000, 0.0044921400000000 ] - [ 0.0062043400000000, -0.0024635800000000, 0.0032128100000000 ] - [ -0.0016269100000000, -0.0006624500000000, 0.0011319800000000 ] - [ -0.0196076200000000, 0.0121616400000000, 0.0270237000000000 ] - [ -0.0002372700000000, 0.0004401400000000, -0.0006473200000000 ] - [ -0.0012355700000000, 0.0003346000000000, 0.0018357200000000 ] - [ 0.0017067300000000, 0.0004003500000000, 0.0022407500000000 ] - [ -0.0224697500000000, -0.0096721700000000, 0.0237494800000000 ] - [ -0.0001781700000000, -0.0005907200000000, -0.0006274900000000 ] - [ 0.0002626900000000, 0.0011629500000000, -0.0006081700000000 ] - [ -0.0002648600000000, -0.0010259000000000, -0.0011069500000000 ] - [ -0.0010766500000000, 0.0002264800000000, 0.0006173300000000 ] - [ 0.0010935700000000, -0.0003170400000000, 0.0003825400000000 ] - [ 0.0016744500000000, -0.0025156600000000, 0.0000448500000000 ] - [ -0.0004175800000000, 0.0001473900000000, -0.0000171700000000 ] - [ -0.0010100500000000, -0.0001426000000000, -0.0000189500000000 ] - [ 0.0003707700000000, -0.0006034900000000, -0.0012689300000000 ] - [ -0.0006248400000000, -0.0014111500000000, 0.0012341300000000 ] - [ 0.0001559600000000, 0.0002245200000000, 0.0008914300000000 ] - [ 0.0015168500000000, 0.0005762800000000, -0.0009763800000000 ] - [ -0.0022814200000000, -0.0012609600000000, 0.0008043500000000 ] - [ 0.0067110600000000, -0.0069765900000000, -0.0059466800000000 ] - [ -0.0017594700000000, 0.0006186500000000, 0.0001112300000000 ] - [ -0.0034205500000000, 0.0029593300000000, 0.0015952400000000 ] - [ 0.0006615000000000, 0.0003925200000000, 0.0003035600000000 ] - [ -0.0020738400000000, 0.0002968900000000, 0.0012293400000000 ] - [ 0.0010738200000000, -0.0004963900000000, 0.0002041800000000 ] - [ -0.0020223500000000, 0.0004756000000000, -0.0006933600000000 ] - [ -0.0120167100000000, -0.0091377900000000, 0.0043152500000000 ] - [ -0.0006538800000000, 0.0002627900000000, -0.0000329200000000 ] - [ 0.0031164000000000, 0.0041481400000000, -0.0011132000000000 ] - [ 0.0012149600000000, -0.0003195200000000, 0.0003632400000000 ] - [ -0.0013000100000000, -0.0003538900000000, 0.0006676500000000 ] - [ 0.0086455000000000, 0.0016840000000000, 0.0010685400000000 ] - [ -0.0033650500000000, -0.0030463000000000, 0.0017599700000000 ] - [ 0.0012018600000000, -0.0005878400000000, -0.0021939400000000 ] - [ -0.0020250400000000, 0.0022591500000000, -0.0053003500000000 ] - [ -0.0069466800000000, -0.0021513800000000, 0.0128251300000000 ] - [ 0.0017933200000000, 0.0003097500000000, -0.0002407700000000 ] - [ 0.0009866100000000, 0.0000682700000000, 0.0007150800000000 ] - [ -0.0007251300000000, 0.0011945300000000, 0.0054561400000000 ] - [ -0.0002539900000000, 0.0003890800000000, -0.0007599100000000 ] - [ 0.0008868100000000, 0.0041857200000000, -0.0033128200000000 ] - [ -0.0022354100000000, -0.0010513600000000, -0.0009664200000000 ] - [ 0.0013346800000000, -0.0004894800000000, -0.0014601700000000 ] - [ 0.0011252400000000, -0.0000439500000000, 0.0001072100000000 ] - [ -0.0018036300000000, 0.0007871700000000, 0.0035958500000000 ] - [ -0.0010583700000000, 0.0001797300000000, -0.0010073300000000 ] - [ 0.0009273000000000, -0.0006613800000000, -0.0018386400000000 ] - [ -0.0003929900000000, 0.0002559100000000, 0.0006614800000000 ] - [ 0.0008149300000000, 0.0029684300000000, -0.0020428700000000 ] - [ -0.0100953300000000, 0.0015549000000000, 0.0101998900000000 ] - [ 0.0046641500000000, -0.0007117300000000, 0.0016123600000000 ] - [ 0.0028608600000000, -0.0002579500000000, -0.0008939600000000 ] - [ -0.0051441400000000, -0.0018435300000000, 0.0004762600000000 ] - [ -0.0005196800000000, 0.0037861700000000, -0.0062903800000000 ] - [ -0.0001636000000000, -0.0009868400000000, -0.0018805400000000 ] - [ 0.0018846100000000, -0.0002782200000000, 0.0000389500000000 ] - [ -0.0075769100000000, -0.0345420400000000, 0.0817981000000000 ] - [ -0.0015876700000000, -0.0007336000000000, -0.0041636100000000 ] - [ 0.0038940200000000, 0.0012808800000000, -0.0042581200000000 ] - [ -0.0037909200000000, 0.0013022200000000, 0.0034025400000000 ] - [ 0.0109739300000000, -0.0048856200000000, -0.0024547500000000 ] - [ -0.0020362700000000, 0.0017432100000000, 0.0043018900000000 ] - [ 0.0006617900000000, -0.0000589400000000, 0.0008822900000000 ] - [ 0.0025660400000000, 0.0008082300000000, -0.0011318000000000 ] - [ -0.0028163200000000, 0.0029092000000000, -0.0011385600000000 ] - [ 0.0023128800000000, -0.0031954100000000, -0.0017569700000000 ] - [ 0.0005595400000000, -0.0002469000000000, -0.0013573600000000 ] - [ 0.0012952000000000, -0.0007075300000000, 0.0007164300000000 ] - [ -0.0007406400000000, 0.0021579600000000, 0.0022225600000000 ] - [ 0.0018422300000000, 0.0003246200000000, -0.0019710900000000 ] - [ -0.0010383200000000, -0.0001620700000000, -0.0013928100000000 ] - [ -0.0031054400000000, 0.0020382300000000, 0.0010055400000000 ] - [ 0.0019692900000000, 0.0009804000000000, -0.0004702700000000 ] - [ 0.0025253300000000, -0.0007385400000000, 0.0009051000000000 ] - [ 0.0133374600000000, 0.0180183800000000, 0.0129709700000000 ] - [ 0.0002748700000000, 0.0000400500000000, -0.0009272500000000 ] - [ 0.0030313000000000, -0.0077524200000000, -0.0115027200000000 ] - [ -0.0028946900000000, 0.0011449000000000, -0.0034295200000000 ] - [ 0.0043306900000000, -0.0000592300000000, -0.0031956400000000 ]- atom: 1 displacement: [ 0.0065057964755441, 0.0000000000000000, -0.0075943803051203 ] forces: - [ -0.0412038200000000, -0.0238814200000000, 0.1594070900000000 ] - [ 0.0010366400000000, -0.0000530300000000, 0.0005343400000000 ] - [ 0.0024567200000000, 0.0014439100000000, -0.0035889000000000 ] - [ -0.0007460200000000, 0.0005228800000000, -0.0011209700000000 ] - [ 0.0023219700000000, -0.0002343300000000, -0.0037053700000000 ] - [ -0.0010796900000000, -0.0003699600000000, -0.0013749900000000 ] - [ 0.0021826400000000, 0.0002191200000000, 0.0035974800000000 ] - [ 0.0023404300000000, -0.0010940800000000, 0.0024689900000000 ] - [ 0.0005982800000000, 0.0002421900000000, -0.0005065800000000 ] - [ -0.0009490800000000, -0.0106149000000000, -0.0151394800000000 ] - [ -0.0013665700000000, 0.0013508900000000, -0.0051927800000000 ] - [ 0.0010740800000000, -0.0004775300000000, -0.0018367300000000 ] - [ -0.0000591800000000, 0.0007865500000000, 0.0012076100000000 ] - [ 0.0001567900000000, -0.0001358900000000, 0.0003809800000000 ] - [ 0.0005232800000000, 0.0000857300000000, -0.0008669700000000 ] - [ -0.0006468700000000, 0.0000482000000000, -0.0008874500000000 ] - [ -0.0002112500000000, -0.0004213000000000, 0.0011434600000000 ] - [ 0.0002923800000000, 0.0001108600000000, -0.0000380400000000 ] - [ 0.0005384500000000, -0.0001814700000000, 0.0000694100000000 ] - [ -0.0005826100000000, 0.0011405600000000, 0.0007819900000000 ] - [ 0.0000384100000000, -0.0005991300000000, -0.0013506200000000 ] - [ -0.0000609100000000, 0.0000355500000000, -0.0014348900000000 ] - [ -0.0004998600000000, 0.0002321500000000, 0.0008345200000000 ] - [ 0.0005825300000000, -0.0000680400000000, 0.0000823200000000 ] - [ 0.0020158300000000, -0.0001932000000000, 0.0000711700000000 ] - [ -0.0144112400000000, 0.0080268000000000, 0.0079297700000000 ] - [ 0.0002567700000000, -0.0004535800000000, -0.0008443600000000 ] - [ 0.0010239300000000, -0.0001386800000000, -0.0013071300000000 ] - [ -0.0048359300000000, -0.0007389200000000, 0.0002258400000000 ] - [ 0.0035448500000000, -0.0023869300000000, -0.0011513800000000 ] - [ 0.0105812700000000, 0.0096479500000000, -0.0040534700000000 ] - [ -0.0000460900000000, -0.0000102300000000, 0.0001087400000000 ] - [ 0.0016965300000000, 0.0005580100000000, -0.0007958700000000 ] - [ -0.0018919200000000, -0.0006409500000000, -0.0005578500000000 ] - [ 0.0043157500000000, -0.0035901000000000, 0.0002756600000000 ] - [ -0.0004133400000000, -0.0006016100000000, 0.0006090700000000 ] - [ 0.0001091100000000, 0.0018152800000000, 0.0020968900000000 ] - [ -0.0007125700000000, 0.0002636000000000, 0.0013873000000000 ] - [ 0.0007308700000000, -0.0001978900000000, -0.0003711500000000 ] - [ -0.0020856800000000, 0.0021255600000000, -0.0008752500000000 ] - [ 0.0013940400000000, -0.0065418600000000, -0.0046362800000000 ] - [ 0.0006220500000000, 0.0001380000000000, -0.0003859500000000 ] - [ -0.0020072500000000, -0.0014715900000000, 0.0045979800000000 ] - [ 0.0007578100000000, 0.0003105500000000, 0.0001666700000000 ] - [ 0.0023221000000000, 0.0017001500000000, -0.0011262600000000 ] - [ -0.0013262300000000, 0.0004442100000000, -0.0008399200000000 ] - [ 0.0010736200000000, 0.0001655300000000, -0.0010802800000000 ] - [ -0.0002253500000000, 0.0008723400000000, -0.0010666100000000 ] - [ 0.0000230000000000, -0.0000458900000000, 0.0006625200000000 ] - [ 0.0000574700000000, 0.0011794400000000, 0.0006978400000000 ] - [ 0.0005335100000000, 0.0006220300000000, -0.0007670100000000 ] - [ -0.0003346300000000, 0.0005623000000000, -0.0001098800000000 ] - [ -0.0005690300000000, -0.0002753000000000, -0.0002769100000000 ] - [ 0.0004164600000000, 0.0002537000000000, -0.0008385200000000 ] - [ -0.0006389800000000, 0.0011248400000000, 0.0013199300000000 ] - [ 0.0003318000000000, 0.0002958900000000, 0.0004457200000000 ] - [ 0.0005314000000000, 0.0002095200000000, -0.0000173600000000 ] - [ -0.0005390000000000, 0.0008733300000000, 0.0003619500000000 ] - [ 0.0005713600000000, -0.0000878000000000, -0.0010633700000000 ] - [ -0.0003012900000000, -0.0000151600000000, -0.0004324400000000 ] - [ 0.0013809700000000, -0.0006470600000000, 0.0007178000000000 ] - [ -0.0054278400000000, -0.0040622300000000, 0.0105234800000000 ] - [ 0.0000602300000000, -0.0003251500000000, -0.0017203800000000 ] - [ 0.0013870100000000, 0.0013037500000000, -0.0042104700000000 ] - [ -0.0062088900000000, 0.0020837700000000, -0.0028849500000000 ] - [ 0.0016125700000000, 0.0002992000000000, -0.0008954000000000 ] - [ 0.0192877500000000, -0.0123187500000000, -0.0268006100000000 ] - [ 0.0002977200000000, -0.0008177800000000, 0.0004338000000000 ] - [ 0.0012537800000000, -0.0006995500000000, -0.0020694800000000 ] - [ -0.0016872000000000, -0.0007578900000000, -0.0024639700000000 ] - [ 0.0229428900000000, 0.0095079200000000, -0.0244934400000000 ] - [ 0.0002589800000000, 0.0002236200000000, 0.0003723300000000 ] - [ 0.0000593300000000, -0.0017025700000000, 0.0002710000000000 ] - [ 0.0005756600000000, 0.0004993600000000, 0.0007937300000000 ] - [ 0.0013419700000000, -0.0007496500000000, -0.0009043800000000 ] - [ -0.0008191900000000, -0.0002175100000000, -0.0006713400000000 ] - [ -0.0014247700000000, 0.0019847800000000, -0.0003449600000000 ] - [ 0.0006965400000000, -0.0006957000000000, -0.0002943000000000 ] - [ 0.0007052900000000, -0.0003726800000000, 0.0003260700000000 ] - [ -0.0007008900000000, 0.0000636300000000, 0.0015783900000000 ] - [ 0.0003646300000000, 0.0008801800000000, -0.0009275200000000 ] - [ -0.0004135700000000, -0.0007620100000000, -0.0005747400000000 ] - [ -0.0017986900000000, -0.0011273200000000, 0.0012774700000000 ] - [ 0.0020075400000000, 0.0007295600000000, -0.0005145200000000 ] - [ -0.0070790400000000, 0.0073492600000000, 0.0062747100000000 ] - [ 0.0015037500000000, -0.0000819300000000, 0.0001997000000000 ] - [ 0.0031353200000000, -0.0024091700000000, -0.0013033100000000 ] - [ -0.0009393400000000, 0.0001423500000000, -0.0000190400000000 ] - [ 0.0017667500000000, 0.0002334100000000, -0.0009185600000000 ] - [ -0.0013872600000000, 0.0010225900000000, 0.0001164000000000 ] - [ 0.0023425500000000, 0.0000542100000000, 0.0004097400000000 ] - [ 0.0123201000000000, 0.0096807100000000, -0.0046371300000000 ] - [ 0.0009116400000000, 0.0002782100000000, -0.0002800700000000 ] - [ -0.0028250500000000, -0.0035811400000000, 0.0007863700000000 ] - [ -0.0009199100000000, 0.0008404500000000, -0.0006713600000000 ] - [ 0.0016134000000000, 0.0008778000000000, -0.0009793500000000 ] - [ -0.0086187300000000, -0.0016517100000000, -0.0010424200000000 ] - [ 0.0033669500000000, 0.0030434400000000, -0.0017719200000000 ] - [ -0.0011922700000000, 0.0006163900000000, 0.0022030200000000 ] - [ 0.0020218900000000, -0.0022275600000000, 0.0052817300000000 ] - [ 0.0068426200000000, 0.0016503700000000, -0.0137895900000000 ] - [ -0.0018094900000000, -0.0002748500000000, 0.0002344900000000 ] - [ -0.0009830300000000, -0.0001022500000000, -0.0007125300000000 ] - [ 0.0007581500000000, -0.0011993200000000, -0.0054541500000000 ] - [ 0.0002546800000000, -0.0004213100000000, 0.0007655400000000 ] - [ -0.0008825000000000, -0.0041925700000000, 0.0033085700000000 ] - [ 0.0022339300000000, 0.0010286100000000, 0.0009499700000000 ] - [ -0.0013424400000000, 0.0004672700000000, 0.0014546600000000 ] - [ -0.0011286400000000, 0.0000807900000000, -0.0000981100000000 ] - [ 0.0017985700000000, -0.0007464000000000, -0.0035527500000000 ] - [ 0.0010637600000000, -0.0001460000000000, 0.0010000000000000 ] - [ -0.0009277100000000, 0.0006905100000000, 0.0018310000000000 ] - [ 0.0003817400000000, -0.0002292100000000, -0.0006710100000000 ] - [ -0.0008145800000000, -0.0029350900000000, 0.0020235800000000 ] - [ 0.0098028100000000, -0.0012644600000000, -0.0102755100000000 ] - [ -0.0046606600000000, 0.0006680500000000, -0.0016203700000000 ] - [ -0.0028506500000000, 0.0002225000000000, 0.0009013800000000 ] - [ 0.0051225400000000, 0.0018233000000000, -0.0004480900000000 ] - [ 0.0005442700000000, -0.0038429200000000, 0.0063194600000000 ] - [ 0.0001646300000000, 0.0009597600000000, 0.0018751000000000 ] - [ -0.0018817300000000, 0.0007867100000000, -0.0000330400000000 ] - [ 0.0083895700000000, 0.0334381300000000, -0.0785759600000000 ] - [ 0.0015846100000000, 0.0012257900000000, 0.0041789400000000 ] - [ -0.0038912800000000, -0.0007769100000000, 0.0042519200000000 ] - [ 0.0037669400000000, -0.0008224400000000, -0.0034384300000000 ] - [ -0.0110206300000000, 0.0054194400000000, 0.0024413900000000 ] - [ 0.0019704200000000, -0.0022738300000000, -0.0042709400000000 ] - [ -0.0006688900000000, -0.0004315500000000, -0.0008790000000000 ] - [ -0.0025605100000000, -0.0013032700000000, 0.0011379900000000 ] - [ 0.0028083600000000, -0.0033891600000000, 0.0011413400000000 ] - [ -0.0023086500000000, 0.0027007600000000, 0.0017538300000000 ] - [ -0.0005613300000000, -0.0002625600000000, 0.0013469800000000 ] - [ -0.0013116600000000, 0.0012263000000000, -0.0006961800000000 ] - [ 0.0007538900000000, -0.0016335900000000, -0.0022153600000000 ] - [ -0.0018437500000000, 0.0001781100000000, 0.0019784100000000 ] - [ 0.0010273500000000, 0.0006595000000000, 0.0013982500000000 ] - [ 0.0031257400000000, -0.0015267500000000, -0.0010441900000000 ] - [ -0.0019657100000000, -0.0004782600000000, 0.0004571800000000 ] - [ -0.0025597000000000, 0.0002288100000000, -0.0008886500000000 ] - [ -0.0127526200000000, -0.0181724000000000, -0.0130543000000000 ] - [ -0.0002638200000000, -0.0005384300000000, 0.0009310600000000 ] - [ -0.0030425400000000, 0.0072274800000000, 0.0114549900000000 ] - [ 0.0029038100000000, -0.0016534800000000, 0.0033881500000000 ] - [ -0.0043462100000000, -0.0004593200000000, 0.0031976500000000 ]- atom: 25 displacement: [ 0.0099999997563037, 0.0000000000000000, -0.0000022076967763 ] forces: - [ 0.0013632300000000, 0.0009062500000000, -0.0014253800000000 ] - [ -0.0014328600000000, -0.0092861200000000, 0.0178086500000000 ] - [ -0.0006294600000000, 0.0028201500000000, 0.0058642800000000 ] - [ 0.0020858400000000, 0.0006600800000000, -0.0028492800000000 ] - [ -0.0000991700000000, -0.0002056200000000, -0.0003816200000000 ] - [ -0.0000080100000000, 0.0012492300000000, -0.0013075900000000 ] - [ -0.0003258800000000, 0.0045190200000000, -0.0059913200000000 ] - [ 0.0016012600000000, -0.0000892700000000, 0.0018952700000000 ] - [ -0.0054936500000000, -0.0056830700000000, -0.0187116900000000 ] - [ 0.0013751100000000, 0.0006110300000000, 0.0011679300000000 ] - [ 0.0007721500000000, -0.0001609300000000, -0.0016134600000000 ] - [ -0.0006678700000000, 0.0006804100000000, 0.0018849500000000 ] - [ 0.0006887600000000, -0.0018772900000000, 0.0014952400000000 ] - [ 0.0000371200000000, 0.0022386100000000, -0.0001513000000000 ] - [ -0.0010689500000000, -0.0009787300000000, 0.0018168300000000 ] - [ 0.0005331100000000, -0.0001055300000000, -0.0005156000000000 ] - [ 0.0006277700000000, 0.0001133000000000, -0.0003659600000000 ] - [ -0.0008508800000000, -0.0014274500000000, -0.0026050900000000 ] - [ -0.0018933600000000, -0.0048075100000000, 0.0010806800000000 ] - [ 0.0011305200000000, -0.0003659400000000, 0.0000127800000000 ] - [ -0.0001750000000000, 0.0002859000000000, -0.0014908500000000 ] - [ 0.0002338400000000, -0.0007087500000000, 0.0005844900000000 ] - [ 0.0004277500000000, -0.0014700300000000, -0.0026886400000000 ] - [ 0.0000317500000000, 0.0010138300000000, 0.0017879700000000 ] - [ -0.2078977500000000, 0.0922661700000000, 0.0217544900000000 ] - [ 0.0049384100000000, -0.0010303000000000, -0.0005459100000000 ] - [ 0.0011260800000000, -0.0003363900000000, -0.0015294900000000 ] - [ 0.0004146200000000, 0.0004606400000000, 0.0010775800000000 ] - [ 0.0011133100000000, -0.0001091600000000, -0.0014516300000000 ] - [ 0.0004170500000000, -0.0002365300000000, 0.0006050800000000 ] - [ 0.0098506600000000, -0.0013424700000000, 0.0007447000000000 ] - [ 0.0246271600000000, 0.0075940300000000, -0.0069905800000000 ] - [ -0.0022876500000000, -0.0003236800000000, 0.0010858200000000 ] - [ 0.0016676900000000, 0.0006413100000000, -0.0006111200000000 ] - [ 0.0013964700000000, 0.0002159900000000, -0.0000432100000000 ] - [ -0.0017861300000000, 0.0012467900000000, -0.0030236800000000 ] - [ 0.0179035300000000, -0.0112737000000000, -0.0111915900000000 ] - [ 0.0019155600000000, 0.0014126600000000, 0.0016472900000000 ] - [ -0.0063383000000000, 0.0058380200000000, -0.0022917400000000 ] - [ 0.0022419100000000, -0.0005146900000000, 0.0003210800000000 ] - [ 0.0007720600000000, 0.0001243600000000, -0.0005148300000000 ] - [ -0.0014610900000000, 0.0011274500000000, 0.0010201200000000 ] - [ 0.0035515900000000, 0.0012660900000000, -0.0012602600000000 ] - [ 0.0038596200000000, 0.0073811200000000, 0.0080288900000000 ] - [ 0.0037976900000000, -0.0104922800000000, 0.0135373900000000 ] - [ 0.0035429600000000, 0.0022196400000000, -0.0014870200000000 ] - [ 0.0002969400000000, 0.0013045300000000, -0.0007471600000000 ] - [ 0.0002931100000000, -0.0000164300000000, -0.0004360100000000 ] - [ -0.0001254300000000, -0.0019225100000000, -0.0000897500000000 ] - [ 0.0010509000000000, 0.0005210600000000, 0.0002103500000000 ] - [ -0.0019726800000000, -0.0004204400000000, 0.0001814600000000 ] - [ 0.0012212900000000, 0.0001302100000000, 0.0001549800000000 ] - [ 0.0006477500000000, 0.0003091600000000, -0.0011747800000000 ] - [ -0.0006179600000000, 0.0000157900000000, 0.0005993600000000 ] - [ 0.0022433700000000, -0.0013765800000000, -0.0007485400000000 ] - [ -0.0022962400000000, 0.0000929800000000, 0.0003796700000000 ] - [ -0.0002369800000000, -0.0010544300000000, 0.0006355300000000 ] - [ 0.0008480200000000, 0.0001597200000000, -0.0002817100000000 ] - [ -0.0002266300000000, 0.0000920800000000, 0.0003093000000000 ] - [ 0.0001043600000000, 0.0000750300000000, -0.0004224100000000 ] - [ -0.0098992200000000, 0.0054539600000000, 0.0007604700000000 ] - [ 0.0026711700000000, -0.0001648300000000, 0.0002695300000000 ] - [ 0.0011695900000000, 0.0005578500000000, -0.0031494900000000 ] - [ 0.0002297600000000, -0.0004660400000000, 0.0014218300000000 ] - [ 0.0009545700000000, 0.0005027600000000, -0.0015833700000000 ] - [ 0.0003508100000000, -0.0003279200000000, 0.0020492400000000 ] - [ 0.0060717500000000, 0.0066295900000000, 0.0021675600000000 ] - [ 0.0137568500000000, -0.0122346000000000, -0.0043360600000000 ] - [ -0.0020400200000000, 0.0000240400000000, -0.0004598800000000 ] - [ 0.0011437500000000, -0.0005683700000000, -0.0010625500000000 ] - [ 0.0009147300000000, -0.0001613700000000, -0.0004150400000000 ] - [ -0.0028745600000000, -0.0001794100000000, 0.0012875000000000 ] - [ 0.0005149100000000, -0.0004351200000000, -0.0003596600000000 ] - [ 0.0005319600000000, -0.0018740400000000, -0.0000798100000000 ] - [ -0.0007549800000000, -0.0006367300000000, -0.0002487600000000 ] - [ 0.0013099800000000, -0.0007002500000000, -0.0004523400000000 ] - [ 0.0013080100000000, -0.0010469300000000, -0.0005885300000000 ] - [ -0.0007523000000000, -0.0002813500000000, 0.0001092500000000 ] - [ -0.0020720600000000, -0.0018951100000000, 0.0007804600000000 ] - [ 0.0016075300000000, 0.0000312300000000, 0.0001238600000000 ] - [ -0.0006287900000000, -0.0010074600000000, -0.0001691100000000 ] - [ 0.0000119700000000, -0.0002070200000000, 0.0003576800000000 ] - [ 0.0002902300000000, -0.0002200400000000, -0.0002359800000000 ] - [ -0.0009749800000000, -0.0013387200000000, 0.0009206800000000 ] - [ 0.0016336600000000, -0.0002554100000000, -0.0001353000000000 ] - [ -0.0025855400000000, -0.0007110900000000, 0.0003042200000000 ] - [ -0.0016747600000000, 0.0010123900000000, 0.0005779600000000 ] - [ 0.0033114200000000, -0.0022832700000000, -0.0011890400000000 ] - [ -0.0002145200000000, 0.0001144800000000, 0.0002227400000000 ] - [ 0.0000572900000000, 0.0000750600000000, -0.0000782000000000 ] - [ -0.0020822700000000, -0.0005270600000000, 0.0002394400000000 ] - [ 0.0019625800000000, 0.0003743500000000, 0.0000170900000000 ] - [ -0.0020791200000000, -0.0028071300000000, 0.0001827900000000 ] - [ 0.0019572400000000, 0.0012379400000000, -0.0000068900000000 ] - [ 0.0010242900000000, 0.0004752900000000, -0.0006933600000000 ] - [ -0.0007400900000000, -0.0002285500000000, 0.0002308900000000 ] - [ 0.0201434000000000, 0.0031660400000000, -0.0000507000000000 ] - [ -0.0107571600000000, -0.0000344200000000, -0.0016392000000000 ] - [ 0.0021739100000000, -0.0034166500000000, 0.0043005100000000 ] - [ -0.0016865400000000, 0.0003448300000000, -0.0001391300000000 ] - [ -0.0020447400000000, -0.0007928800000000, 0.0019468400000000 ] - [ 0.0026861900000000, -0.0020610300000000, -0.0055275300000000 ] - [ 0.0119371900000000, 0.0072252700000000, 0.0082038400000000 ] - [ -0.0035265700000000, 0.0001087700000000, 0.0000144000000000 ] - [ -0.0002420300000000, -0.0056226400000000, 0.0061617300000000 ] - [ -0.0037499000000000, 0.0018276600000000, -0.0025295600000000 ] - [ -0.0008921500000000, -0.0002114000000000, 0.0019805800000000 ] - [ 0.0007925600000000, -0.0000743800000000, -0.0018045900000000 ] - [ 0.0034038100000000, 0.0015796400000000, -0.0003767000000000 ] - [ -0.0023095400000000, 0.0005169500000000, -0.0001821600000000 ] - [ -0.0007997000000000, 0.0007574100000000, 0.0016559600000000 ] - [ 0.0005399000000000, 0.0007035300000000, -0.0013378300000000 ] - [ 0.0006104400000000, 0.0014359400000000, 0.0008608000000000 ] - [ -0.0008641700000000, -0.0002198600000000, -0.0005184900000000 ] - [ -0.0009857900000000, -0.0020975600000000, 0.0017586700000000 ] - [ -0.0024038200000000, 0.0048314400000000, -0.0042977400000000 ] - [ 0.0062987800000000, 0.0019017100000000, -0.0007789800000000 ] - [ -0.0037210100000000, -0.0000644300000000, 0.0003206500000000 ] - [ -0.0004783600000000, 0.0010215100000000, 0.0015013400000000 ] - [ 0.0006227500000000, -0.0004437100000000, -0.0008833100000000 ] - [ 0.1242837100000000, -0.0915184500000000, -0.0237722700000000 ] - [ -0.0098293000000000, -0.0018455300000000, 0.0019229900000000 ] - [ -0.0036915800000000, -0.0005321000000000, 0.0037623800000000 ] - [ 0.0024330200000000, -0.0003828900000000, -0.0053980200000000 ] - [ 0.0002074000000000, -0.0018192400000000, 0.0060566900000000 ] - [ -0.0016479400000000, -0.0002176100000000, -0.0011006500000000 ] - [ -0.0093827200000000, 0.0069008500000000, 0.0033922700000000 ] - [ -0.0024943000000000, -0.0066877800000000, -0.0030987900000000 ] - [ 0.0136447400000000, 0.0063569500000000, -0.0097241800000000 ] - [ -0.0043758100000000, -0.0008077700000000, 0.0009633600000000 ] - [ -0.0011948900000000, -0.0007588000000000, 0.0013838500000000 ] - [ 0.0012985800000000, -0.0004219200000000, 0.0003225300000000 ] - [ 0.0008287500000000, 0.0035027100000000, -0.0007869300000000 ] - [ -0.0030444900000000, 0.0005324300000000, 0.0002905500000000 ] - [ 0.0018621700000000, 0.0014894400000000, -0.0001063600000000 ] - [ -0.0013806400000000, 0.0006100600000000, 0.0001689400000000 ] - [ -0.0023511200000000, 0.0013793500000000, 0.0021208500000000 ] - [ 0.0028175100000000, 0.0008489900000000, -0.0011182000000000 ] - [ 0.0109873600000000, 0.0009384500000000, -0.0002874300000000 ] - [ -0.0039976600000000, -0.0001371900000000, 0.0003763800000000 ] - [ -0.0043925600000000, 0.0077481700000000, 0.0100029600000000 ] - [ -0.0012191200000000, -0.0032655500000000, -0.0043448800000000 ] - [ -0.0017438600000000, -0.0005682000000000, 0.0020573300000000 ] - [ 0.0013660700000000, 0.0003659700000000, -0.0012555800000000 ]- atom: 25 displacement: [ -0.0099999997563037, 0.0000000000000000, 0.0000022076967763 ] forces: - [ -0.0013350200000000, -0.0005325400000000, 0.0011722700000000 ] - [ 0.0015363000000000, 0.0096373600000000, -0.0181557700000000 ] - [ 0.0006915500000000, -0.0024380600000000, -0.0060490200000000 ] - [ -0.0020116000000000, -0.0002948000000000, 0.0026117100000000 ] - [ 0.0001679000000000, 0.0005835400000000, 0.0001765600000000 ] - [ 0.0000716000000000, -0.0008678300000000, 0.0011036800000000 ] - [ 0.0002333800000000, -0.0041227100000000, 0.0061756100000000 ] - [ -0.0016712700000000, 0.0004511900000000, -0.0016548000000000 ] - [ 0.0055673400000000, 0.0060407100000000, 0.0191453800000000 ] - [ -0.0013904700000000, -0.0002411500000000, -0.0009170900000000 ] - [ -0.0008370200000000, 0.0005381700000000, 0.0018220700000000 ] - [ 0.0006034200000000, -0.0003044700000000, -0.0016689600000000 ] - [ -0.0007641000000000, 0.0014860300000000, -0.0012847200000000 ] - [ -0.0000887600000000, -0.0026193200000000, 0.0003476800000000 ] - [ 0.0009816500000000, 0.0006223400000000, -0.0015786700000000 ] - [ -0.0006087500000000, -0.0002640800000000, 0.0007787400000000 ] - [ -0.0006438100000000, -0.0004748200000000, 0.0005861400000000 ] - [ 0.0008361600000000, 0.0010737700000000, 0.0028970600000000 ] - [ 0.0019194200000000, 0.0045199600000000, -0.0013166600000000 ] - [ -0.0010627500000000, -0.0000150700000000, -0.0002245000000000 ] - [ 0.0002084700000000, -0.0006531500000000, 0.0012629700000000 ] - [ -0.0002135800000000, 0.0003436000000000, -0.0008050500000000 ] - [ -0.0003592600000000, 0.0010971700000000, 0.0024308300000000 ] - [ 0.0000486700000000, -0.0013707400000000, -0.0020344900000000 ] - [ 0.2106110700000000, -0.0989428400000000, -0.0239911800000000 ] - [ -0.0046047200000000, 0.0004860400000000, 0.0002229600000000 ] - [ -0.0008488600000000, -0.0002015400000000, 0.0012449100000000 ] - [ -0.0001422000000000, -0.0009976400000000, -0.0013598500000000 ] - [ -0.0008629800000000, -0.0004266800000000, 0.0011353800000000 ] - [ -0.0001387700000000, -0.0003166500000000, -0.0009162100000000 ] - [ -0.0100768500000000, 0.0007886200000000, -0.0004263500000000 ] - [ -0.0253010700000000, -0.0082034200000000, 0.0074173800000000 ] - [ 0.0020090200000000, -0.0002362300000000, -0.0007718700000000 ] - [ -0.0019347200000000, -0.0011875500000000, 0.0009275500000000 ] - [ -0.0016607700000000, -0.0007468100000000, 0.0003291200000000 ] - [ 0.0014707400000000, -0.0018155800000000, 0.0033712000000000 ] - [ -0.0179972800000000, 0.0116812400000000, 0.0113332800000000 ] - [ -0.0021629400000000, -0.0008848000000000, -0.0013469900000000 ] - [ 0.0061153600000000, -0.0052729400000000, 0.0024825300000000 ] - [ -0.0025117800000000, 0.0010420600000000, -0.0000240700000000 ] - [ -0.0010727500000000, 0.0003906000000000, 0.0008228400000000 ] - [ 0.0011498200000000, -0.0006048000000000, -0.0007014500000000 ] - [ -0.0032752800000000, -0.0007380700000000, 0.0009666600000000 ] - [ -0.0035012700000000, -0.0068394200000000, -0.0083351300000000 ] - [ -0.0035672700000000, 0.0109257200000000, -0.0137126000000000 ] - [ -0.0032823600000000, -0.0016857900000000, 0.0011805600000000 ] - [ 0.0000192200000000, -0.0007871200000000, 0.0004296000000000 ] - [ 0.0000162500000000, 0.0005402200000000, 0.0001275200000000 ] - [ 0.0001178000000000, 0.0022977900000000, -0.0001445800000000 ] - [ -0.0010144800000000, -0.0001465700000000, -0.0004465900000000 ] - [ 0.0020594300000000, 0.0008006500000000, -0.0004417000000000 ] - [ -0.0011493800000000, 0.0002313900000000, -0.0004000700000000 ] - [ -0.0005797200000000, 0.0000714600000000, 0.0009645700000000 ] - [ 0.0006816500000000, 0.0003625400000000, -0.0008018300000000 ] - [ -0.0023116800000000, 0.0017313600000000, 0.0009919100000000 ] - [ 0.0022384400000000, 0.0002938500000000, -0.0001110800000000 ] - [ 0.0001935100000000, 0.0014227000000000, -0.0004141000000000 ] - [ -0.0008613700000000, 0.0002026000000000, 0.0005082500000000 ] - [ 0.0001646400000000, 0.0002875600000000, -0.0001108200000000 ] - [ -0.0001745500000000, 0.0003041400000000, 0.0006374800000000 ] - [ 0.0097729500000000, -0.0060082300000000, -0.0005544500000000 ] - [ -0.0027328100000000, -0.0002010400000000, -0.0000675200000000 ] - [ -0.0012473300000000, -0.0009237200000000, 0.0034079800000000 ] - [ -0.0003020600000000, 0.0000928100000000, -0.0011486900000000 ] - [ -0.0009827400000000, -0.0008693300000000, 0.0018097700000000 ] - [ -0.0003718800000000, -0.0000397100000000, -0.0018164800000000 ] - [ -0.0059204000000000, -0.0068992300000000, -0.0023509000000000 ] - [ -0.0137763800000000, 0.0118973500000000, 0.0041298700000000 ] - [ 0.0020630200000000, -0.0003826600000000, 0.0002480600000000 ] - [ -0.0011208100000000, 0.0002029800000000, 0.0008399200000000 ] - [ -0.0008353200000000, -0.0002092000000000, 0.0001508400000000 ] - [ 0.0029504900000000, -0.0001855800000000, -0.0015401700000000 ] - [ -0.0002255100000000, -0.0000685600000000, 0.0000476100000000 ] - [ -0.0002080300000000, 0.0013482500000000, -0.0002353900000000 ] - [ 0.0010191300000000, 0.0001172200000000, -0.0000376100000000 ] - [ -0.0010401500000000, 0.0001731200000000, 0.0001667000000000 ] - [ -0.0010402800000000, 0.0005063500000000, 0.0002724400000000 ] - [ 0.0010253900000000, -0.0002623400000000, -0.0004227100000000 ] - [ 0.0017587500000000, 0.0013797100000000, -0.0004731000000000 ] - [ -0.0019185700000000, -0.0005540600000000, 0.0001913500000000 ] - [ 0.0003793700000000, 0.0004769700000000, 0.0004788900000000 ] - [ -0.0002754400000000, -0.0003317700000000, -0.0000393200000000 ] - [ -0.0005783600000000, -0.0003185800000000, 0.0005266600000000 ] - [ 0.0007131700000000, 0.0008164100000000, -0.0006346000000000 ] - [ -0.0019002800000000, 0.0008059700000000, 0.0004488200000000 ] - [ 0.0023274500000000, 0.0012568400000000, 0.0000116400000000 ] - [ 0.0013910100000000, -0.0004616700000000, -0.0002869400000000 ] - [ -0.0035912500000000, 0.0028291000000000, 0.0014789800000000 ] - [ -0.0000975100000000, 0.0004157900000000, 0.0000913600000000 ] - [ -0.0003819500000000, 0.0004595100000000, 0.0003997600000000 ] - [ 0.0023430300000000, 0.0010615000000000, -0.0005280600000000 ] - [ -0.0016765500000000, 0.0001667300000000, -0.0003105100000000 ] - [ 0.0023474000000000, 0.0033658000000000, -0.0005004900000000 ] - [ -0.0016812600000000, -0.0006786100000000, -0.0003065500000000 ] - [ -0.0007174000000000, 0.0000482200000000, 0.0003814200000000 ] - [ 0.0010464700000000, 0.0007512700000000, -0.0005415200000000 ] - [ -0.0180746200000000, -0.0021973800000000, 0.0004316900000000 ] - [ 0.0107863800000000, 0.0000484400000000, 0.0016580500000000 ] - [ -0.0021733400000000, 0.0034862800000000, -0.0042973100000000 ] - [ 0.0016877900000000, -0.0003113600000000, 0.0001238600000000 ] - [ 0.0020437900000000, 0.0008302000000000, -0.0019325800000000 ] - [ -0.0027092400000000, 0.0021287900000000, 0.0054841800000000 ] - [ -0.0118379700000000, -0.0073684800000000, -0.0083093000000000 ] - [ 0.0035173000000000, -0.0001250800000000, -0.0000071300000000 ] - [ 0.0001909200000000, 0.0056221100000000, -0.0061852400000000 ] - [ 0.0037578800000000, -0.0018377500000000, 0.0025172700000000 ] - [ 0.0008927900000000, 0.0001825000000000, -0.0019876400000000 ] - [ -0.0008013700000000, 0.0000547700000000, 0.0017950500000000 ] - [ -0.0034248400000000, -0.0015733300000000, 0.0003904100000000 ] - [ 0.0023098700000000, -0.0004992100000000, 0.0001852200000000 ] - [ 0.0007973800000000, -0.0007297100000000, -0.0016626200000000 ] - [ -0.0005319800000000, -0.0006824000000000, 0.0013272300000000 ] - [ -0.0005960900000000, -0.0014213600000000, -0.0008690800000000 ] - [ 0.0008485700000000, 0.0002416900000000, 0.0005136200000000 ] - [ 0.0009993800000000, 0.0020504000000000, -0.0017445900000000 ] - [ 0.0023942100000000, -0.0048689700000000, 0.0043064600000000 ] - [ -0.0063016000000000, -0.0019505300000000, 0.0008074600000000 ] - [ 0.0037132000000000, 0.0000334000000000, -0.0003237900000000 ] - [ 0.0004822700000000, -0.0010548900000000, -0.0014987800000000 ] - [ -0.0006108500000000, 0.0004167100000000, 0.0008751400000000 ] - [ -0.1289316900000000, 0.0976111500000000, 0.0252561400000000 ] - [ 0.0097601200000000, 0.0023492600000000, -0.0019067700000000 ] - [ 0.0036863300000000, 0.0010383500000000, -0.0037687200000000 ] - [ -0.0024223400000000, 0.0009094000000000, 0.0053604700000000 ] - [ -0.0001417000000000, 0.0023662200000000, -0.0060506000000000 ] - [ 0.0016342400000000, 0.0007319400000000, 0.0011012200000000 ] - [ 0.0093622000000000, -0.0073638600000000, -0.0033745000000000 ] - [ 0.0023923100000000, 0.0061518200000000, 0.0031402100000000 ] - [ -0.0135033800000000, -0.0069552600000000, 0.0098525600000000 ] - [ 0.0043784900000000, 0.0003239500000000, -0.0009707100000000 ] - [ 0.0011862400000000, 0.0002459100000000, -0.0013792400000000 ] - [ -0.0012853300000000, -0.0000859700000000, -0.0003624700000000 ] - [ -0.0007698300000000, -0.0030122400000000, 0.0007841000000000 ] - [ 0.0030264200000000, -0.0000278300000000, -0.0002733500000000 ] - [ -0.0018739800000000, -0.0009988400000000, 0.0001228900000000 ] - [ 0.0013840200000000, -0.0001155900000000, -0.0001738100000000 ] - [ 0.0023525900000000, -0.0008747500000000, -0.0021169300000000 ] - [ -0.0028176500000000, -0.0003695300000000, 0.0010919700000000 ] - [ -0.0109750300000000, -0.0014294100000000, 0.0002343200000000 ] - [ 0.0039742000000000, -0.0003784000000000, -0.0003540900000000 ] - [ 0.0044095600000000, -0.0082812500000000, -0.0100197400000000 ] - [ 0.0012231200000000, 0.0027247900000000, 0.0042835400000000 ] - [ 0.0017494000000000, 0.0000510800000000, -0.0020616200000000 ] - [ -0.0013668700000000, -0.0008846000000000, 0.0012423400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001248000000000, -0.0001383600000000, -0.0003199900000000 ] - [ -0.0041213500000000, 0.0071976100000000, -0.0146142600000000 ] - [ 0.0012406600000000, -0.0006337700000000, 0.0015143600000000 ] - [ -0.0012380600000000, -0.0005375800000000, 0.0015593200000000 ] - [ 0.0000571500000000, 0.0001051400000000, 0.0001632400000000 ] - [ 0.0002991400000000, -0.0002594700000000, -0.0000460500000000 ] - [ 0.0017878700000000, -0.0012270400000000, -0.0026533700000000 ] - [ -0.0011078700000000, -0.0002550100000000, -0.0012345100000000 ] - [ -0.0001667000000000, 0.0049825000000000, 0.0130917000000000 ] - [ -0.0001924000000000, -0.0000225500000000, 0.0002921400000000 ] - [ -0.0003846500000000, 0.0002356700000000, 0.0008974800000000 ] - [ 0.0001157400000000, -0.0001142100000000, -0.0002622700000000 ] - [ -0.0009072100000000, 0.0003394800000000, -0.0006401400000000 ] - [ 0.0007811400000000, -0.0003621000000000, -0.0012321700000000 ] - [ 0.0002637500000000, 0.0014922400000000, -0.0020671000000000 ] - [ -0.0003015300000000, -0.0002572400000000, 0.0005087100000000 ] - [ -0.0000512400000000, -0.0002471700000000, 0.0002406500000000 ] - [ 0.0011299300000000, 0.0029884800000000, 0.0099765900000000 ] - [ -0.0038372300000000, 0.0176290200000000, -0.0057666000000000 ] - [ -0.0003137600000000, -0.0002006100000000, -0.0003397800000000 ] - [ 0.0003882000000000, -0.0002428300000000, 0.0000856500000000 ] - [ -0.0003498200000000, 0.0004041100000000, 0.0003721300000000 ] - [ -0.0005369000000000, 0.0003631600000000, 0.0012714700000000 ] - [ 0.0007194400000000, 0.0004460300000000, 0.0006838200000000 ] - [ 0.0976737300000000, -0.1775151400000000, -0.0426295100000000 ] - [ -0.0006009500000000, -0.0008381600000000, -0.0005304400000000 ] - [ 0.0002959100000000, -0.0011543600000000, 0.0001784900000000 ] - [ 0.0001751600000000, -0.0015094000000000, -0.0006783800000000 ] - [ 0.0000630300000000, -0.0011576900000000, 0.0002042500000000 ] - [ 0.0008620100000000, -0.0015149900000000, -0.0001680900000000 ] - [ 0.0008976000000000, -0.0024053900000000, 0.0004499900000000 ] - [ -0.0080572600000000, -0.0152341800000000, 0.0025970600000000 ] - [ -0.0000901300000000, -0.0016056600000000, -0.0001187200000000 ] - [ -0.0010488400000000, -0.0010356800000000, 0.0006367300000000 ] - [ -0.0006188700000000, -0.0008147600000000, 0.0002798300000000 ] - [ -0.0016688100000000, -0.0054237700000000, 0.0039901400000000 ] - [ -0.0116025400000000, 0.0007023800000000, 0.0035653000000000 ] - [ 0.0010081500000000, -0.0016278600000000, -0.0012477600000000 ] - [ 0.0054087300000000, -0.0020703000000000, -0.0067062600000000 ] - [ -0.0009191400000000, 0.0000595800000000, 0.0002607000000000 ] - [ -0.0002882200000000, -0.0000327500000000, 0.0003260800000000 ] - [ 0.0007038400000000, -0.0009749700000000, -0.0000522400000000 ] - [ -0.0018157900000000, -0.0008953300000000, 0.0003069200000000 ] - [ 0.0108442700000000, 0.0006667300000000, 0.0050047000000000 ] - [ -0.0069748900000000, 0.0006765900000000, -0.0063755300000000 ] - [ -0.0008655900000000, -0.0008880400000000, 0.0004752100000000 ] - [ 0.0004348500000000, -0.0004626900000000, -0.0000394100000000 ] - [ -0.0008796600000000, -0.0004552200000000, 0.0003940000000000 ] - [ -0.0028492600000000, 0.0033491200000000, -0.0006888000000000 ] - [ 0.0005329100000000, 0.0009036000000000, -0.0006735100000000 ] - [ 0.0017119900000000, 0.0017086100000000, -0.0016472700000000 ] - [ -0.0006588600000000, 0.0003415700000000, -0.0001663600000000 ] - [ -0.0001785500000000, 0.0003172600000000, 0.0003560100000000 ] - [ 0.0005421400000000, 0.0004287300000000, 0.0002645800000000 ] - [ -0.0010862700000000, 0.0010285200000000, 0.0005401300000000 ] - [ 0.0026536400000000, 0.0030823700000000, 0.0013148200000000 ] - [ -0.0013298600000000, 0.0013545800000000, -0.0005707100000000 ] - [ 0.0000732100000000, 0.0004820200000000, 0.0000380700000000 ] - [ 0.0004828000000000, 0.0003539700000000, -0.0001044300000000 ] - [ -0.0007096000000000, 0.0006671100000000, 0.0010273000000000 ] - [ 0.0073673500000000, 0.0291370200000000, -0.0030430400000000 ] - [ -0.0009148000000000, -0.0000162500000000, -0.0001870700000000 ] - [ -0.0009645200000000, -0.0008683300000000, 0.0028663700000000 ] - [ 0.0000504300000000, -0.0003429400000000, 0.0003660300000000 ] - [ -0.0001607900000000, -0.0004645200000000, 0.0000344800000000 ] - [ -0.0005589900000000, -0.0002916200000000, -0.0013539900000000 ] - [ 0.0005620400000000, 0.0001463800000000, 0.0000779000000000 ] - [ -0.0104361700000000, 0.0094944900000000, 0.0033109800000000 ] - [ 0.0008361300000000, -0.0003560400000000, 0.0013532800000000 ] - [ -0.0003679900000000, -0.0000848900000000, 0.0003710400000000 ] - [ -0.0001517800000000, -0.0003277000000000, -0.0002809300000000 ] - [ 0.0014626400000000, -0.0018993200000000, -0.0040047900000000 ] - [ -0.0014435000000000, 0.0019292700000000, 0.0006257900000000 ] - [ -0.0000273500000000, 0.0019342100000000, -0.0000053100000000 ] - [ 0.0001237500000000, 0.0014326400000000, 0.0006000500000000 ] - [ -0.0006385300000000, 0.0003918800000000, 0.0002158700000000 ] - [ -0.0003022600000000, 0.0003872800000000, 0.0000767600000000 ] - [ -0.0002338400000000, 0.0014141200000000, -0.0002783500000000 ] - [ 0.0014832900000000, 0.0055131800000000, -0.0003768500000000 ] - [ -0.0004554200000000, 0.0002806500000000, -0.0001209200000000 ] - [ 0.0006108200000000, 0.0007685500000000, 0.0002801200000000 ] - [ -0.0001946300000000, 0.0002972100000000, 0.0000782000000000 ] - [ -0.0001908600000000, 0.0003844600000000, 0.0000171400000000 ] - [ 0.0009353000000000, 0.0017867500000000, -0.0008036100000000 ] - [ -0.0006665400000000, 0.0009095500000000, 0.0003356300000000 ] - [ -0.0011199500000000, 0.0036686700000000, 0.0001809200000000 ] - [ 0.0006028500000000, 0.0011658900000000, 0.0003193400000000 ] - [ -0.0026951800000000, 0.0024099100000000, 0.0012536400000000 ] - [ -0.0003086400000000, 0.0007645900000000, 0.0002873000000000 ] - [ -0.0003531700000000, 0.0008387000000000, 0.0003194400000000 ] - [ 0.0032277500000000, 0.0032106200000000, -0.0013320000000000 ] - [ -0.0008196100000000, 0.0007737200000000, -0.0004984200000000 ] - [ 0.0009234100000000, 0.0032132600000000, -0.0003820700000000 ] - [ 0.0000285500000000, 0.0007765000000000, -0.0003561000000000 ] - [ -0.0000577300000000, 0.0004346300000000, 0.0000512700000000 ] - [ 0.0006439400000000, 0.0010311200000000, -0.0003341700000000 ] - [ 0.0162868000000000, 0.0223023500000000, 0.0040654900000000 ] - [ 0.0046979100000000, 0.0017454200000000, 0.0012346000000000 ] - [ -0.0010176600000000, 0.0047492000000000, -0.0023985500000000 ] - [ 0.0006060500000000, 0.0007455500000000, -0.0004636500000000 ] - [ 0.0005138500000000, 0.0010378400000000, -0.0005250500000000 ] - [ -0.0005771500000000, 0.0057042700000000, 0.0026043600000000 ] - [ -0.0017469500000000, 0.0075894100000000, -0.0054800400000000 ] - [ 0.0006461900000000, 0.0003149000000000, 0.0003036200000000 ] - [ -0.0030617300000000, 0.0026254700000000, -0.0017409600000000 ] - [ 0.0029859500000000, 0.0004782500000000, 0.0004083000000000 ] - [ 0.0007906400000000, 0.0004341400000000, -0.0009712400000000 ] - [ -0.0007631100000000, 0.0009672100000000, 0.0004544500000000 ] - [ -0.0033203100000000, -0.0057751000000000, 0.0001977900000000 ] - [ 0.0012344700000000, -0.0008312000000000, 0.0002749800000000 ] - [ 0.0001655100000000, -0.0010418600000000, -0.0009199000000000 ] - [ 0.0001297300000000, -0.0019050900000000, 0.0003552200000000 ] - [ 0.0007699100000000, -0.0030838300000000, -0.0003579400000000 ] - [ -0.0003350400000000, -0.0009039800000000, 0.0001665300000000 ] - [ -0.0012650100000000, -0.0007988200000000, -0.0000841200000000 ] - [ 0.0032198500000000, -0.0042503900000000, 0.0034913000000000 ] - [ -0.0031443300000000, -0.0048742100000000, -0.0041114600000000 ] - [ 0.0016488600000000, -0.0003896200000000, -0.0002737200000000 ] - [ 0.0000753400000000, -0.0009135800000000, -0.0009326200000000 ] - [ -0.0001211700000000, -0.0009771900000000, 0.0007964400000000 ] - [ -0.0955770600000000, 0.1086161500000000, 0.0247588600000000 ] - [ 0.0004500100000000, 0.0010054200000000, 0.0002410500000000 ] - [ 0.0016433800000000, 0.0017448400000000, -0.0020165000000000 ] - [ -0.0006534900000000, 0.0031735400000000, -0.0002645900000000 ] - [ 0.0007933300000000, 0.0055939000000000, 0.0007535000000000 ] - [ 0.0001737000000000, 0.0020104600000000, 0.0007972600000000 ] - [ 0.0064069200000000, -0.0022660600000000, -0.0016723000000000 ] - [ -0.0068457500000000, -0.0016483700000000, 0.0028296000000000 ] - [ 0.0000557500000000, -0.0081520700000000, 0.0183064000000000 ] - [ 0.0013884900000000, 0.0005423900000000, -0.0003779500000000 ] - [ -0.0001875100000000, 0.0001949100000000, -0.0002235300000000 ] - [ 0.0002647600000000, 0.0017599800000000, -0.0037680900000000 ] - [ 0.0038641300000000, -0.0075262400000000, 0.0001370800000000 ] - [ 0.0003057700000000, -0.0018485900000000, 0.0007773100000000 ] - [ -0.0014433400000000, -0.0025672100000000, 0.0009490300000000 ] - [ 0.0010166400000000, -0.0009293000000000, -0.0007161900000000 ] - [ 0.0009472400000000, -0.0009670900000000, -0.0009139400000000 ] - [ -0.0020049600000000, -0.0041935400000000, -0.0009017000000000 ] - [ -0.0051992600000000, -0.0074733400000000, 0.0124180800000000 ] - [ 0.0012885400000000, -0.0008020100000000, 0.0004354600000000 ] - [ 0.0042282000000000, -0.0061852100000000, -0.0077683300000000 ] - [ -0.0006003600000000, -0.0010893000000000, -0.0003308000000000 ] - [ 0.0005958800000000, -0.0006455500000000, -0.0005578200000000 ] - [ -0.0003959800000000, -0.0013324000000000, 0.0000564500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001439800000000, 0.0005060100000000, 0.0000904100000000 ] - [ 0.0041214100000000, -0.0068249800000000, 0.0143415300000000 ] - [ -0.0011723600000000, 0.0009841200000000, -0.0017916500000000 ] - [ 0.0013131500000000, 0.0009039600000000, -0.0018108500000000 ] - [ 0.0000084600000000, 0.0002747300000000, -0.0003725700000000 ] - [ -0.0002326500000000, 0.0006398200000000, -0.0001615600000000 ] - [ -0.0018668500000000, 0.0015756000000000, 0.0029406500000000 ] - [ 0.0010334600000000, 0.0006196000000000, 0.0014902200000000 ] - [ 0.0001508700000000, -0.0046201800000000, -0.0128467600000000 ] - [ 0.0001672200000000, 0.0003895600000000, -0.0000612800000000 ] - [ 0.0003207200000000, 0.0001400600000000, -0.0006901800000000 ] - [ -0.0001804000000000, 0.0004870800000000, 0.0004585700000000 ] - [ 0.0008453000000000, -0.0007087500000000, 0.0008424800000000 ] - [ -0.0008556400000000, -0.0000226000000000, 0.0014465100000000 ] - [ -0.0003468600000000, -0.0018595600000000, 0.0023241300000000 ] - [ 0.0002268400000000, -0.0001088200000000, -0.0002506600000000 ] - [ 0.0000315100000000, -0.0001143100000000, -0.0000158100000000 ] - [ -0.0011617800000000, -0.0033973700000000, -0.0098516500000000 ] - [ 0.0039766800000000, -0.0183331700000000, 0.0056618300000000 ] - [ 0.0003761200000000, -0.0001742700000000, 0.0001311300000000 ] - [ -0.0003621600000000, -0.0001223600000000, -0.0003120100000000 ] - [ 0.0003726000000000, -0.0007733100000000, -0.0006147300000000 ] - [ 0.0006149300000000, -0.0007269800000000, -0.0015207700000000 ] - [ -0.0006527000000000, -0.0008090700000000, -0.0009451200000000 ] - [ -0.0935053500000000, 0.1749358800000000, 0.0419553300000000 ] - [ 0.0009148400000000, 0.0003135800000000, 0.0002169300000000 ] - [ -0.0000242200000000, 0.0006250100000000, -0.0004646500000000 ] - [ 0.0000947600000000, 0.0009813200000000, 0.0003868000000000 ] - [ 0.0001956700000000, 0.0006218000000000, -0.0005163600000000 ] - [ -0.0005978900000000, 0.0009754200000000, -0.0001483300000000 ] - [ -0.0012302400000000, 0.0018848000000000, -0.0001373600000000 ] - [ 0.0077457300000000, 0.0145729200000000, -0.0022792900000000 ] - [ -0.0001769300000000, 0.0010612900000000, 0.0004249500000000 ] - [ 0.0007807800000000, 0.0004939500000000, -0.0003234700000000 ] - [ 0.0003450900000000, 0.0002851100000000, 0.0000095700000000 ] - [ 0.0013938700000000, 0.0049216300000000, -0.0036854700000000 ] - [ 0.0113504400000000, -0.0000853300000000, -0.0032319000000000 ] - [ -0.0012895300000000, 0.0021815900000000, 0.0015670100000000 ] - [ -0.0056970100000000, 0.0026745400000000, 0.0069876700000000 ] - [ 0.0006382500000000, 0.0004776900000000, 0.0000309100000000 ] - [ -0.0000189500000000, 0.0005537300000000, -0.0000150700000000 ] - [ -0.0010259900000000, 0.0015097700000000, 0.0003653700000000 ] - [ 0.0020889000000000, 0.0014296800000000, -0.0005940600000000 ] - [ -0.0105772700000000, -0.0000630100000000, -0.0052913000000000 ] - [ 0.0072456600000000, -0.0000540500000000, 0.0060359400000000 ] - [ 0.0011344000000000, 0.0014362200000000, -0.0007902700000000 ] - [ -0.0001226000000000, 0.0009865300000000, -0.0002790400000000 ] - [ 0.0012101600000000, 0.0009941100000000, -0.0007144700000000 ] - [ 0.0028988200000000, -0.0029956300000000, 0.0004637000000000 ] - [ -0.0005128200000000, -0.0005350200000000, 0.0004406500000000 ] - [ -0.0016368200000000, -0.0013313900000000, 0.0014121500000000 ] - [ 0.0007315700000000, 0.0000248400000000, -0.0000857200000000 ] - [ 0.0002442400000000, 0.0000628600000000, -0.0005654400000000 ] - [ -0.0004864600000000, -0.0000476700000000, -0.0004840900000000 ] - [ 0.0010071700000000, -0.0006624800000000, -0.0002897400000000 ] - [ -0.0027491200000000, -0.0027295800000000, -0.0010684400000000 ] - [ 0.0013144100000000, -0.0009735900000000, 0.0008157100000000 ] - [ -0.0000928000000000, -0.0001167000000000, 0.0001959800000000 ] - [ -0.0005516300000000, 0.0000285300000000, 0.0003077200000000 ] - [ 0.0006513100000000, -0.0002919600000000, -0.0008263100000000 ] - [ -0.0072969800000000, -0.0290484300000000, 0.0032587600000000 ] - [ 0.0008481900000000, -0.0003645900000000, 0.0003986100000000 ] - [ 0.0008895800000000, 0.0005028900000000, -0.0026144800000000 ] - [ -0.0001267400000000, -0.0000263900000000, -0.0001151200000000 ] - [ 0.0001340000000000, 0.0000979200000000, 0.0002018000000000 ] - [ 0.0005352900000000, -0.0000748700000000, 0.0015832000000000 ] - [ -0.0005239800000000, -0.0005556400000000, -0.0002963600000000 ] - [ 0.0104999900000000, -0.0098447300000000, -0.0035282600000000 ] - [ -0.0008110800000000, -0.0000149300000000, -0.0015832100000000 ] - [ 0.0003887000000000, -0.0002825500000000, -0.0006008700000000 ] - [ 0.0002251600000000, -0.0000419500000000, 0.0000226600000000 ] - [ -0.0013824800000000, 0.0015174000000000, 0.0037357200000000 ] - [ 0.0017786000000000, -0.0024728900000000, -0.0009483900000000 ] - [ 0.0003376200000000, -0.0024668500000000, -0.0003085400000000 ] - [ 0.0001428400000000, -0.0019571300000000, -0.0008863800000000 ] - [ 0.0009129500000000, -0.0009249400000000, -0.0005071900000000 ] - [ 0.0005678600000000, -0.0009290800000000, -0.0003923200000000 ] - [ 0.0005176300000000, -0.0019757800000000, -0.0000435900000000 ] - [ -0.0017887400000000, -0.0060510000000000, 0.0006991100000000 ] - [ 0.0001309100000000, -0.0008135000000000, 0.0004415300000000 ] - [ -0.0008718400000000, -0.0013067300000000, 0.0000322300000000 ] - [ -0.0000688400000000, -0.0008409200000000, 0.0002367100000000 ] - [ -0.0000919500000000, -0.0009276100000000, 0.0002763400000000 ] - [ -0.0012176800000000, -0.0023257600000000, 0.0010927800000000 ] - [ 0.0003954900000000, -0.0003655700000000, -0.0000204800000000 ] - [ 0.0008512000000000, -0.0031396200000000, 0.0001313600000000 ] - [ -0.0008688400000000, -0.0006413300000000, -0.0000313600000000 ] - [ 0.0024188200000000, -0.0018771900000000, -0.0009654100000000 ] - [ -0.0000066800000000, -0.0002402100000000, 0.0000253500000000 ] - [ 0.0000328600000000, -0.0003130800000000, -0.0000026300000000 ] - [ -0.0029462600000000, -0.0026836900000000, 0.0010366800000000 ] - [ 0.0010953700000000, -0.0002424000000000, 0.0002085100000000 ] - [ -0.0006685700000000, -0.0026810300000000, 0.0000741300000000 ] - [ 0.0002341500000000, -0.0002390700000000, 0.0000423000000000 ] - [ 0.0003656900000000, 0.0000863700000000, -0.0003641300000000 ] - [ -0.0003379000000000, -0.0005168600000000, 0.0000207800000000 ] - [ -0.0156946700000000, -0.0222420000000000, -0.0039773700000000 ] - [ -0.0046969800000000, -0.0017301200000000, -0.0012381900000000 ] - [ 0.0010148800000000, -0.0047176600000000, 0.0024108000000000 ] - [ -0.0006000200000000, -0.0007217300000000, 0.0004694900000000 ] - [ -0.0005122200000000, -0.0010032700000000, 0.0005250600000000 ] - [ 0.0005631000000000, -0.0056705300000000, -0.0026250800000000 ] - [ 0.0018884900000000, -0.0083947500000000, 0.0047550800000000 ] - [ -0.0006366300000000, -0.0003430100000000, -0.0003056700000000 ] - [ 0.0030572800000000, -0.0026661100000000, 0.0017267400000000 ] - [ -0.0029776300000000, -0.0005275700000000, -0.0003973000000000 ] - [ -0.0008011800000000, -0.0004675600000000, 0.0009656600000000 ] - [ 0.0007630700000000, -0.0010040700000000, -0.0004559000000000 ] - [ 0.0033491800000000, 0.0058343300000000, -0.0001988700000000 ] - [ -0.0012428700000000, 0.0008544100000000, -0.0002757700000000 ] - [ -0.0001628200000000, 0.0010771000000000, 0.0009152100000000 ] - [ -0.0001293700000000, 0.0019484600000000, -0.0003599100000000 ] - [ -0.0007853800000000, 0.0031199400000000, 0.0003663600000000 ] - [ 0.0003353200000000, 0.0009369500000000, -0.0001713600000000 ] - [ 0.0012685000000000, 0.0007950500000000, 0.0000772100000000 ] - [ -0.0032202800000000, 0.0042289200000000, -0.0034992200000000 ] - [ 0.0031424400000000, 0.0048619800000000, 0.0040941700000000 ] - [ -0.0016494500000000, 0.0003680800000000, 0.0002772400000000 ] - [ -0.0000677100000000, 0.0008855900000000, 0.0009353000000000 ] - [ 0.0001311600000000, 0.0009609200000000, -0.0007845600000000 ] - [ 0.0909114300000000, -0.1056065200000000, -0.0236105300000000 ] - [ -0.0004305200000000, -0.0004865600000000, -0.0002476900000000 ] - [ -0.0016485900000000, -0.0012432400000000, 0.0020235900000000 ] - [ 0.0006532400000000, -0.0026723000000000, 0.0002958200000000 ] - [ -0.0007831000000000, -0.0050892100000000, -0.0007942900000000 ] - [ -0.0001684200000000, -0.0015081700000000, -0.0008031400000000 ] - [ -0.0064248300000000, 0.0017335700000000, 0.0016770900000000 ] - [ 0.0068535400000000, 0.0011308400000000, -0.0028117300000000 ] - [ -0.0000733100000000, 0.0075770500000000, -0.0184690900000000 ] - [ -0.0013821900000000, -0.0010490600000000, 0.0003746500000000 ] - [ 0.0001899200000000, -0.0007157000000000, 0.0002223400000000 ] - [ -0.0002665500000000, -0.0023037000000000, 0.0037996500000000 ] - [ -0.0039256700000000, 0.0080776300000000, -0.0001371800000000 ] - [ -0.0002934100000000, 0.0023694600000000, -0.0007778800000000 ] - [ 0.0014454400000000, 0.0030783500000000, -0.0009494300000000 ] - [ -0.0010241500000000, 0.0014376600000000, 0.0007312500000000 ] - [ -0.0009472100000000, 0.0014726000000000, 0.0009097200000000 ] - [ 0.0020302600000000, 0.0047185100000000, 0.0009095000000000 ] - [ 0.0051985300000000, 0.0070334900000000, -0.0123731900000000 ] - [ -0.0012931400000000, 0.0003029400000000, -0.0004332600000000 ] - [ -0.0042199100000000, 0.0056975200000000, 0.0077774900000000 ] - [ 0.0006088300000000, 0.0006095100000000, 0.0003381900000000 ] - [ -0.0005982200000000, 0.0001364100000000, 0.0005566700000000 ] - [ 0.0003951900000000, 0.0008260600000000, -0.0000549300000000 ]- atom: 25 displacement: [ -0.0065057964755441, 0.0000000000000000, 0.0075943803051203 ] forces: - [ -0.0010214300000000, -0.0003299700000000, 0.0003674600000000 ] - [ 0.0060460600000000, 0.0020112900000000, -0.0157097800000000 ] - [ 0.0012855400000000, -0.0011570600000000, -0.0036637500000000 ] - [ -0.0018337200000000, -0.0003463800000000, 0.0021861600000000 ] - [ 0.0002388100000000, 0.0005170300000000, 0.0008793000000000 ] - [ 0.0000744600000000, -0.0011116900000000, 0.0018531100000000 ] - [ -0.0005696000000000, -0.0039272000000000, 0.0033233700000000 ] - [ -0.0012018700000000, 0.0002582400000000, -0.0015827800000000 ] - [ 0.0005372500000000, 0.0072753900000000, 0.0140857000000000 ] - [ -0.0009121100000000, -0.0002055900000000, -0.0005138800000000 ] - [ -0.0008579600000000, 0.0005627400000000, 0.0019110700000000 ] - [ 0.0006450200000000, -0.0001212300000000, -0.0001174300000000 ] - [ -0.0006223400000000, 0.0012460500000000, -0.0021219600000000 ] - [ -0.0001563700000000, -0.0015231700000000, -0.0017537600000000 ] - [ 0.0010852100000000, -0.0005741800000000, 0.0004275500000000 ] - [ -0.0005579600000000, -0.0002626400000000, 0.0009354300000000 ] - [ -0.0005035000000000, -0.0005404700000000, 0.0008914700000000 ] - [ 0.0011038400000000, 0.0021198600000000, 0.0071551000000000 ] - [ 0.0014824300000000, 0.0008113600000000, -0.0054167600000000 ] - [ -0.0007644700000000, -0.0001286600000000, -0.0005615300000000 ] - [ -0.0000845100000000, -0.0006225100000000, 0.0015110800000000 ] - [ 0.0000239700000000, 0.0004581200000000, 0.0004771400000000 ] - [ -0.0005342200000000, 0.0010086400000000, 0.0022371300000000 ] - [ 0.0006096000000000, -0.0003805300000000, -0.0001990300000000 ] - [ 0.1549859800000000, -0.0960709800000000, -0.0649497500000000 ] - [ -0.0032368500000000, -0.0000554600000000, -0.0002194000000000 ] - [ -0.0014871700000000, 0.0000517900000000, 0.0012416400000000 ] - [ 0.0005300400000000, -0.0007471400000000, -0.0004588400000000 ] - [ -0.0015628800000000, -0.0001284300000000, 0.0011655900000000 ] - [ 0.0008798200000000, -0.0007039200000000, -0.0001728100000000 ] - [ -0.0061953200000000, 0.0002104100000000, -0.0004717400000000 ] - [ -0.0219809000000000, -0.0072715800000000, 0.0045886300000000 ] - [ 0.0019682200000000, -0.0000398700000000, 0.0003816600000000 ] - [ -0.0018900700000000, -0.0012304800000000, 0.0010531800000000 ] - [ -0.0012689600000000, -0.0006798100000000, 0.0004286800000000 ] - [ -0.0014956200000000, -0.0041647000000000, 0.0075486000000000 ] - [ -0.0202230300000000, 0.0102566900000000, 0.0081917800000000 ] - [ -0.0003217400000000, -0.0015460700000000, -0.0016395100000000 ] - [ 0.0021028800000000, -0.0085794600000000, 0.0093432700000000 ] - [ -0.0015549900000000, 0.0008593100000000, 0.0001800800000000 ] - [ -0.0012578300000000, 0.0004729800000000, 0.0009241900000000 ] - [ 0.0013416100000000, -0.0004602300000000, 0.0002830600000000 ] - [ -0.0030905600000000, -0.0008654200000000, 0.0007006300000000 ] - [ 0.0081184300000000, 0.0003802900000000, -0.0006836300000000 ] - [ 0.0039213000000000, 0.0033411200000000, -0.0042961600000000 ] - [ -0.0029324200000000, -0.0013420500000000, 0.0008329400000000 ] - [ -0.0001456400000000, -0.0008409300000000, 0.0009898800000000 ] - [ -0.0003765800000000, 0.0003526700000000, 0.0007876300000000 ] - [ -0.0014112200000000, 0.0036222300000000, -0.0018548200000000 ] - [ -0.0001036700000000, 0.0006027700000000, -0.0008060700000000 ] - [ 0.0009498000000000, -0.0004903800000000, -0.0004821000000000 ] - [ -0.0007298600000000, -0.0000529700000000, -0.0001605000000000 ] - [ -0.0006680000000000, 0.0000450600000000, 0.0010919700000000 ] - [ 0.0009423400000000, 0.0003307600000000, 0.0003852400000000 ] - [ -0.0021684200000000, 0.0017543300000000, 0.0007868400000000 ] - [ 0.0027775100000000, 0.0020378400000000, -0.0000022600000000 ] - [ 0.0008230200000000, -0.0002388800000000, -0.0010478000000000 ] - [ -0.0007687400000000, -0.0000068800000000, 0.0000227400000000 ] - [ 0.0000908400000000, 0.0003424200000000, 0.0006901500000000 ] - [ -0.0004540600000000, 0.0005708900000000, 0.0012445400000000 ] - [ 0.0075895000000000, -0.0006694100000000, -0.0053567900000000 ] - [ -0.0021376900000000, -0.0000014300000000, -0.0003467800000000 ] - [ -0.0013537100000000, -0.0007141200000000, 0.0032546200000000 ] - [ 0.0000832000000000, 0.0001043000000000, -0.0002959900000000 ] - [ -0.0013239800000000, -0.0011995200000000, 0.0017035200000000 ] - [ -0.0000076100000000, -0.0003887300000000, -0.0008944700000000 ] - [ -0.0033530900000000, -0.0039996900000000, -0.0016850700000000 ] - [ -0.0132377400000000, 0.0117141100000000, 0.0034766600000000 ] - [ 0.0016628500000000, 0.0000397400000000, 0.0009044500000000 ] - [ -0.0010584200000000, 0.0002708800000000, 0.0010418000000000 ] - [ -0.0006047400000000, -0.0003221200000000, 0.0001141200000000 ] - [ 0.0023800200000000, -0.0012889700000000, -0.0016084800000000 ] - [ -0.0000297500000000, -0.0000247400000000, -0.0003271100000000 ] - [ -0.0002344500000000, 0.0013823000000000, -0.0005117000000000 ] - [ 0.0009128100000000, -0.0001053200000000, 0.0000921600000000 ] - [ -0.0009557900000000, 0.0001980500000000, 0.0002637500000000 ] - [ -0.0008636800000000, 0.0005093400000000, 0.0003291600000000 ] - [ 0.0006386500000000, 0.0002938300000000, -0.0001640800000000 ] - [ 0.0015646300000000, 0.0012103400000000, -0.0006201000000000 ] - [ -0.0013322900000000, -0.0002404400000000, -0.0000267500000000 ] - [ -0.0000436800000000, 0.0001238400000000, 0.0006733500000000 ] - [ -0.0000758700000000, -0.0002507400000000, 0.0002163300000000 ] - [ -0.0007168800000000, -0.0002053500000000, 0.0004138600000000 ] - [ 0.0010029800000000, 0.0011559200000000, -0.0005027600000000 ] - [ -0.0015060900000000, 0.0007528000000000, 0.0002615700000000 ] - [ 0.0015810100000000, 0.0009249200000000, -0.0003168100000000 ] - [ 0.0011867300000000, -0.0000791200000000, -0.0000875000000000 ] - [ -0.0033985500000000, 0.0027759600000000, 0.0014425100000000 ] - [ -0.0000687300000000, 0.0004607300000000, 0.0003562200000000 ] - [ -0.0004876200000000, 0.0005133500000000, 0.0005390800000000 ] - [ 0.0018299900000000, 0.0009529200000000, -0.0006390900000000 ] - [ -0.0009280200000000, 0.0003513500000000, -0.0003591000000000 ] - [ 0.0018663600000000, 0.0031809900000000, -0.0006263000000000 ] - [ -0.0009269000000000, -0.0000840700000000, -0.0003613400000000 ] - [ -0.0008194800000000, -0.0000356900000000, 0.0004703800000000 ] - [ 0.0010267300000000, 0.0007116900000000, -0.0001923300000000 ] - [ -0.0087950200000000, 0.0013163200000000, 0.0084129200000000 ] - [ 0.0088852800000000, 0.0006473900000000, 0.0021806600000000 ] - [ -0.0011460800000000, 0.0013240000000000, -0.0058356200000000 ] - [ 0.0010515300000000, -0.0001742200000000, -0.0007957300000000 ] - [ 0.0020946700000000, 0.0009537600000000, -0.0016394600000000 ] - [ -0.0038004900000000, 0.0036773600000000, 0.0011261500000000 ] - [ -0.0089458000000000, -0.0016466500000000, 0.0024350100000000 ] - [ 0.0023689600000000, -0.0000925600000000, 0.0001635800000000 ] - [ 0.0026663600000000, 0.0056250600000000, -0.0039270700000000 ] - [ 0.0007107500000000, -0.0003499900000000, 0.0016767200000000 ] - [ 0.0012858200000000, 0.0000086500000000, -0.0022436900000000 ] - [ -0.0014478200000000, 0.0001362200000000, -0.0006231600000000 ] - [ -0.0020409700000000, -0.0016210800000000, 0.0018594900000000 ] - [ 0.0017249400000000, -0.0006324100000000, 0.0005251900000000 ] - [ 0.0009899700000000, -0.0007073400000000, -0.0015969100000000 ] - [ -0.0011175000000000, -0.0003844300000000, 0.0001736900000000 ] - [ 0.0002016700000000, -0.0018867500000000, -0.0009284800000000 ] - [ 0.0000863600000000, -0.0000587400000000, -0.0000903100000000 ] - [ 0.0011311600000000, 0.0015421500000000, -0.0005501400000000 ] - [ 0.0010995900000000, -0.0037784400000000, 0.0043109600000000 ] - [ -0.0051976500000000, -0.0026047700000000, 0.0001982600000000 ] - [ 0.0030337500000000, -0.0000723500000000, -0.0003150300000000 ] - [ 0.0004689100000000, -0.0009392100000000, -0.0017155300000000 ] - [ -0.0007542100000000, 0.0002489300000000, -0.0000354800000000 ] - [ -0.1004175600000000, 0.0803730000000000, 0.0380893800000000 ] - [ 0.0063036100000000, 0.0017763200000000, -0.0006703500000000 ] - [ 0.0038980800000000, 0.0007706300000000, -0.0036556100000000 ] - [ -0.0026528900000000, 0.0000402800000000, 0.0018141900000000 ] - [ 0.0033372400000000, 0.0050620900000000, -0.0063126300000000 ] - [ 0.0005867200000000, 0.0013192000000000, 0.0004410300000000 ] - [ 0.0095622300000000, -0.0068598700000000, -0.0021969900000000 ] - [ -0.0037855400000000, 0.0009796500000000, 0.0047574400000000 ] - [ -0.0115751100000000, 0.0054829600000000, 0.0048861800000000 ] - [ 0.0033859200000000, 0.0006752300000000, -0.0006872200000000 ] - [ 0.0015971900000000, 0.0002338800000000, -0.0021073100000000 ] - [ -0.0008941300000000, 0.0001490500000000, -0.0033908300000000 ] - [ -0.0016112900000000, -0.0023815400000000, 0.0034138200000000 ] - [ 0.0019006400000000, -0.0006761800000000, 0.0008474700000000 ] - [ -0.0007854700000000, 0.0000574200000000, -0.0010654800000000 ] - [ 0.0012027400000000, -0.0003426800000000, -0.0009731000000000 ] - [ 0.0023182600000000, -0.0008081500000000, -0.0020985900000000 ] - [ -0.0028746400000000, -0.0019943200000000, -0.0004473000000000 ] - [ -0.0078948000000000, 0.0006869700000000, 0.0025784500000000 ] - [ 0.0028005400000000, -0.0006164200000000, 0.0002016800000000 ] - [ 0.0045612500000000, -0.0077876400000000, -0.0092147400000000 ] - [ 0.0001522700000000, 0.0013246400000000, 0.0027327300000000 ] - [ 0.0020550100000000, 0.0001741900000000, -0.0024114200000000 ] - [ -0.0012045100000000, -0.0009408700000000, -0.0001457200000000 ]- atom: 25 displacement: [ 0.0065057964755441, 0.0000000000000000, -0.0075943803051203 ] forces: - [ 0.0010457500000000, 0.0007011900000000, -0.0006002100000000 ] - [ -0.0059346400000000, -0.0016998400000000, 0.0153949900000000 ] - [ -0.0012251800000000, 0.0015237300000000, 0.0034173800000000 ] - [ 0.0019094900000000, 0.0007111300000000, -0.0024300800000000 ] - [ -0.0001693000000000, -0.0001372700000000, -0.0010871700000000 ] - [ -0.0000114600000000, 0.0015023100000000, -0.0020750900000000 ] - [ 0.0005087300000000, 0.0043294900000000, -0.0030813100000000 ] - [ 0.0011290200000000, 0.0001054500000000, 0.0018304400000000 ] - [ -0.0005708900000000, -0.0068753500000000, -0.0138051800000000 ] - [ 0.0008872300000000, 0.0005748400000000, 0.0007496600000000 ] - [ 0.0007940400000000, -0.0001863900000000, -0.0017064600000000 ] - [ -0.0007116300000000, 0.0004954000000000, 0.0003155100000000 ] - [ 0.0005514900000000, -0.0016329800000000, 0.0023424600000000 ] - [ 0.0000969100000000, 0.0011471300000000, 0.0019585200000000 ] - [ -0.0011630500000000, 0.0002127800000000, -0.0001890300000000 ] - [ 0.0004814700000000, -0.0001059700000000, -0.0006788700000000 ] - [ 0.0004865900000000, 0.0001789200000000, -0.0006700500000000 ] - [ -0.0011241600000000, -0.0024958300000000, -0.0069425100000000 ] - [ -0.0014339700000000, -0.0011433400000000, 0.0052263800000000 ] - [ 0.0008312200000000, -0.0002496500000000, 0.0003531500000000 ] - [ 0.0001164100000000, 0.0002538000000000, -0.0017390400000000 ] - [ -0.0000038300000000, -0.0008274200000000, -0.0007146200000000 ] - [ 0.0006087100000000, -0.0013831600000000, -0.0024974900000000 ] - [ -0.0005340700000000, 0.0000240000000000, -0.0000499300000000 ] - [ -0.1519809400000000, 0.0925307200000000, 0.0648253700000000 ] - [ 0.0035515200000000, -0.0004736200000000, -0.0000949400000000 ] - [ 0.0017600600000000, -0.0005838400000000, -0.0015290900000000 ] - [ -0.0002656200000000, 0.0002168400000000, 0.0001689500000000 ] - [ 0.0018280300000000, -0.0004113000000000, -0.0014831800000000 ] - [ -0.0006129400000000, 0.0001573700000000, -0.0001405300000000 ] - [ 0.0058823300000000, -0.0007300000000000, 0.0007801500000000 ] - [ 0.0214428600000000, 0.0067065400000000, -0.0042379200000000 ] - [ -0.0022345000000000, -0.0005089500000000, -0.0000745300000000 ] - [ 0.0016248900000000, 0.0006885500000000, -0.0007412900000000 ] - [ 0.0010051800000000, 0.0001516400000000, -0.0001413200000000 ] - [ 0.0012413100000000, 0.0036555600000000, -0.0073363300000000 ] - [ 0.0202391200000000, -0.0098384400000000, -0.0079692300000000 ] - [ 0.0000618000000000, 0.0020855200000000, 0.0019514700000000 ] - [ -0.0023749100000000, 0.0090481100000000, -0.0089589600000000 ] - [ 0.0012782000000000, -0.0003280500000000, 0.0001107800000000 ] - [ 0.0009606800000000, 0.0000414900000000, -0.0006174900000000 ] - [ -0.0016609700000000, 0.0009836400000000, 0.0000267600000000 ] - [ 0.0033746500000000, 0.0014003900000000, -0.0009898100000000 ] - [ -0.0077864400000000, 0.0002087500000000, 0.0004774400000000 ] - [ -0.0037162700000000, -0.0027734600000000, 0.0039463400000000 ] - [ 0.0031943100000000, 0.0018816300000000, -0.0011434700000000 ] - [ 0.0004594400000000, 0.0013611100000000, -0.0013069300000000 ] - [ 0.0006935900000000, 0.0001717200000000, -0.0011103200000000 ] - [ 0.0014430200000000, -0.0032740800000000, 0.0016403100000000 ] - [ 0.0001334400000000, -0.0002320000000000, 0.0005737000000000 ] - [ -0.0008626200000000, 0.0008658500000000, 0.0002277800000000 ] - [ 0.0008019700000000, 0.0004176300000000, -0.0000883400000000 ] - [ 0.0007376000000000, 0.0003352200000000, -0.0013026800000000 ] - [ -0.0008833500000000, 0.0000478000000000, -0.0005975500000000 ] - [ 0.0021044800000000, -0.0014023700000000, -0.0005411600000000 ] - [ -0.0028711200000000, -0.0016775700000000, 0.0002614500000000 ] - [ -0.0008609000000000, 0.0006179700000000, 0.0012799600000000 ] - [ 0.0007516500000000, 0.0003707100000000, 0.0002049900000000 ] - [ -0.0001552100000000, 0.0000371900000000, -0.0004929100000000 ] - [ 0.0003882300000000, -0.0001960000000000, -0.0010400600000000 ] - [ -0.0076833600000000, 0.0000912500000000, 0.0055990400000000 ] - [ 0.0020686000000000, -0.0003730500000000, 0.0005540600000000 ] - [ 0.0012769400000000, 0.0003478300000000, -0.0030012300000000 ] - [ -0.0001615000000000, -0.0004734200000000, 0.0005491500000000 ] - [ 0.0013052500000000, 0.0008411000000000, -0.0014779300000000 ] - [ -0.0000168000000000, 0.0000236500000000, 0.0011238400000000 ] - [ 0.0034201400000000, 0.0036279000000000, 0.0014751800000000 ] - [ 0.0132216700000000, -0.0120451300000000, -0.0036601800000000 ] - [ -0.0016372600000000, -0.0004049300000000, -0.0011321000000000 ] - [ 0.0010819500000000, -0.0006383100000000, -0.0012721700000000 ] - [ 0.0006832500000000, -0.0000477100000000, -0.0003733900000000 ] - [ -0.0023038900000000, 0.0009371900000000, 0.0013645600000000 ] - [ 0.0003317200000000, -0.0004939800000000, 0.0000160900000000 ] - [ 0.0005533800000000, -0.0019087300000000, 0.0001976600000000 ] - [ -0.0006467900000000, -0.0004185000000000, -0.0003810200000000 ] - [ 0.0012246900000000, -0.0007267800000000, -0.0005530500000000 ] - [ 0.0011313600000000, -0.0010508800000000, -0.0006448700000000 ] - [ -0.0003627500000000, -0.0008460700000000, -0.0001526700000000 ] - [ -0.0018765000000000, -0.0017379600000000, 0.0009330200000000 ] - [ 0.0010163500000000, -0.0002862500000000, 0.0003440900000000 ] - [ -0.0002057500000000, -0.0006546400000000, -0.0003649000000000 ] - [ -0.0001873600000000, -0.0002900300000000, 0.0000978500000000 ] - [ 0.0004317300000000, -0.0003366100000000, -0.0001203400000000 ] - [ -0.0012737000000000, -0.0016869500000000, 0.0007901400000000 ] - [ 0.0012393200000000, -0.0002081700000000, 0.0000540900000000 ] - [ -0.0018352500000000, -0.0003918600000000, 0.0006337900000000 ] - [ -0.0014612400000000, 0.0006131600000000, 0.0003738200000000 ] - [ 0.0031208800000000, -0.0022349500000000, -0.0011527600000000 ] - [ -0.0002414200000000, 0.0000650900000000, -0.0000443000000000 ] - [ 0.0001648400000000, 0.0000182500000000, -0.0002199400000000 ] - [ -0.0015705200000000, -0.0004267500000000, 0.0003538100000000 ] - [ 0.0012086200000000, 0.0001834000000000, 0.0000686200000000 ] - [ -0.0015988900000000, -0.0026330100000000, 0.0003113200000000 ] - [ 0.0011881000000000, 0.0006260000000000, 0.0000480100000000 ] - [ 0.0011272700000000, 0.0005582800000000, -0.0007835800000000 ] - [ -0.0007243800000000, -0.0001946400000000, -0.0001203500000000 ] - [ 0.0093103300000000, -0.0010955000000000, -0.0082534800000000 ] - [ -0.0088706800000000, -0.0006284600000000, -0.0021739200000000 ] - [ 0.0011431700000000, -0.0012842600000000, 0.0058403300000000 ] - [ -0.0010432000000000, 0.0002032900000000, 0.0008017500000000 ] - [ -0.0021038300000000, -0.0009221600000000, 0.0016454500000000 ] - [ 0.0038172700000000, -0.0036362900000000, -0.0011384100000000 ] - [ 0.0090085900000000, 0.0010702700000000, -0.0028688800000000 ] - [ -0.0023753200000000, 0.0000682000000000, -0.0001649300000000 ] - [ -0.0026894100000000, -0.0056440800000000, 0.0039235500000000 ] - [ -0.0006913600000000, 0.0003122100000000, -0.0016758100000000 ] - [ -0.0012930000000000, -0.0000361600000000, 0.0022459000000000 ] - [ 0.0014442900000000, -0.0001626000000000, 0.0006192400000000 ] - [ 0.0020300000000000, 0.0016492900000000, -0.0018571300000000 ] - [ -0.0017264200000000, 0.0006588900000000, -0.0005284300000000 ] - [ -0.0009905700000000, 0.0007386200000000, 0.0015932400000000 ] - [ 0.0011241900000000, 0.0004174100000000, -0.0001749900000000 ] - [ -0.0001987800000000, 0.0019180500000000, 0.0009269800000000 ] - [ -0.0000961000000000, 0.0000859900000000, 0.0000858300000000 ] - [ -0.0011252800000000, -0.0015729700000000, 0.0005369800000000 ] - [ -0.0011091800000000, 0.0037447300000000, -0.0043079900000000 ] - [ 0.0051881800000000, 0.0025789500000000, -0.0001708500000000 ] - [ -0.0030319100000000, 0.0000453700000000, 0.0003172700000000 ] - [ -0.0004663700000000, 0.0009073500000000, 0.0017190500000000 ] - [ 0.0007707900000000, -0.0002738400000000, 0.0000406900000000 ] - [ 0.0971460800000000, -0.0761943600000000, -0.0380243900000000 ] - [ -0.0063028800000000, -0.0012638300000000, 0.0006632500000000 ] - [ -0.0039051900000000, -0.0002660700000000, 0.0036598100000000 ] - [ 0.0026571100000000, 0.0004712500000000, -0.0017991100000000 ] - [ -0.0033446500000000, -0.0045819000000000, 0.0063311900000000 ] - [ -0.0005919000000000, -0.0008126000000000, -0.0004440000000000 ] - [ -0.0096113900000000, 0.0063860000000000, 0.0022032600000000 ] - [ 0.0037361800000000, -0.0015180000000000, -0.0047386100000000 ] - [ 0.0115763000000000, -0.0060725600000000, -0.0048115400000000 ] - [ -0.0033787700000000, -0.0011723600000000, 0.0006837500000000 ] - [ -0.0016049600000000, -0.0007492100000000, 0.0021105800000000 ] - [ 0.0009068600000000, -0.0006604900000000, 0.0033972700000000 ] - [ 0.0016434800000000, 0.0029019100000000, -0.0034441800000000 ] - [ -0.0019085500000000, 0.0011875800000000, -0.0008377100000000 ] - [ 0.0007729000000000, 0.0004455400000000, 0.0010789200000000 ] - [ -0.0012021200000000, 0.0008460900000000, 0.0009827400000000 ] - [ -0.0023220300000000, 0.0013193500000000, 0.0021024600000000 ] - [ 0.0028926200000000, 0.0025020000000000, 0.0004423200000000 ] - [ 0.0079121400000000, -0.0011938500000000, -0.0026607200000000 ] - [ -0.0028131600000000, 0.0001089400000000, -0.0001921300000000 ] - [ -0.0045575000000000, 0.0072709500000000, 0.0092024500000000 ] - [ -0.0001379200000000, -0.0018288600000000, -0.0027414300000000 ] - [ -0.0020574200000000, -0.0006950200000000, 0.0024171200000000 ] - [ 0.0012032600000000, 0.0004280900000000, 0.0001450300000000 ]- atom: 97 displacement: [ 0.0099999997563037, 0.0000000000000000, -0.0000022076967763 ] forces: - [ -0.0035744600000000, -0.0038797000000000, 0.0082139000000000 ] - [ -0.0037748500000000, 0.0036571300000000, -0.0077758400000000 ] - [ 0.0107091600000000, 0.0014676200000000, -0.0001157600000000 ] - [ -0.0022687700000000, -0.0001867300000000, 0.0002588000000000 ] - [ -0.0003893900000000, 0.0003632600000000, 0.0011127000000000 ] - [ 0.0005613900000000, 0.0002711100000000, -0.0023281800000000 ] - [ 0.0106550300000000, -0.0011286600000000, 0.0002452500000000 ] - [ -0.0023322000000000, 0.0005553600000000, 0.0005431000000000 ] - [ -0.0035502700000000, 0.0042056700000000, 0.0084188800000000 ] - [ -0.0037965400000000, -0.0033314800000000, -0.0075749600000000 ] - [ -0.0004362500000000, 0.0000118500000000, 0.0013333700000000 ] - [ 0.0005077500000000, 0.0001227300000000, -0.0020804900000000 ] - [ 0.0016572800000000, 0.0034499400000000, 0.0005828600000000 ] - [ -0.0013030500000000, -0.0014073000000000, 0.0003150100000000 ] - [ 0.0004982900000000, -0.0011861800000000, 0.0017671000000000 ] - [ -0.0005927000000000, 0.0003206500000000, -0.0006834100000000 ] - [ -0.0005856900000000, -0.0001358000000000, 0.0013879300000000 ] - [ 0.0003876300000000, -0.0005615000000000, -0.0024754800000000 ] - [ 0.0016933900000000, -0.0038193100000000, 0.0003304600000000 ] - [ -0.0012508300000000, 0.0010333000000000, 0.0000873900000000 ] - [ -0.0005780400000000, -0.0002263000000000, 0.0011411900000000 ] - [ 0.0003985200000000, 0.0001958100000000, -0.0027358900000000 ] - [ 0.0005662300000000, 0.0008080200000000, 0.0014764000000000 ] - [ -0.0005329900000000, -0.0006849300000000, -0.0009508100000000 ] - [ 0.0182122600000000, 0.0152725400000000, 0.0041162000000000 ] - [ -0.0106250200000000, 0.0044402900000000, 0.0023083400000000 ] - [ -0.0019119900000000, 0.0002493200000000, 0.0008703300000000 ] - [ 0.0028496200000000, -0.0008442300000000, -0.0028520400000000 ] - [ 0.0023121300000000, -0.0012875500000000, 0.0001938000000000 ] - [ -0.0015630500000000, 0.0003355700000000, -0.0002169000000000 ] - [ 0.0200074600000000, -0.0167192600000000, 0.0047679200000000 ] - [ -0.0109157600000000, -0.0049515500000000, 0.0026180800000000 ] - [ 0.0020338900000000, 0.0007451300000000, 0.0005160000000000 ] - [ -0.0018107500000000, -0.0008690500000000, 0.0000840900000000 ] - [ -0.0021772700000000, -0.0007770000000000, 0.0011569700000000 ] - [ 0.0025451700000000, 0.0002956200000000, -0.0025549000000000 ] - [ 0.0117640400000000, -0.0015607400000000, -0.0014946700000000 ] - [ -0.0036509700000000, 0.0009138400000000, 0.0002637400000000 ] - [ -0.0003670200000000, -0.0027736300000000, 0.0034740300000000 ] - [ -0.0038903000000000, 0.0032524900000000, -0.0021560500000000 ] - [ -0.0010434600000000, 0.0010578400000000, 0.0010877900000000 ] - [ 0.0006430800000000, -0.0005020200000000, -0.0010649100000000 ] - [ -0.0000653600000000, 0.0033461700000000, 0.0032097900000000 ] - [ -0.0036148800000000, -0.0027107500000000, -0.0024279800000000 ] - [ 0.0120057600000000, 0.0020713900000000, -0.0017876700000000 ] - [ -0.0033934800000000, -0.0003687600000000, -0.0000499600000000 ] - [ -0.0007432800000000, -0.0005355300000000, 0.0007789400000000 ] - [ 0.0009507200000000, 0.0010229000000000, -0.0013770300000000 ] - [ 0.0026263400000000, 0.0011305400000000, -0.0002459000000000 ] - [ -0.0014826300000000, -0.0000997700000000, 0.0000855000000000 ] - [ -0.0000204600000000, -0.0002495500000000, 0.0009010700000000 ] - [ -0.0005044400000000, 0.0004904900000000, -0.0011081100000000 ] - [ -0.0004691800000000, -0.0000161100000000, 0.0006789300000000 ] - [ 0.0004336300000000, 0.0004483800000000, -0.0011607300000000 ] - [ -0.0000694000000000, 0.0006093900000000, 0.0011698500000000 ] - [ -0.0005688700000000, -0.0001174400000000, -0.0008305800000000 ] - [ 0.0026220600000000, -0.0007814800000000, -0.0000022300000000 ] - [ -0.0014921000000000, 0.0004673200000000, 0.0003328100000000 ] - [ -0.0005247100000000, 0.0003963200000000, 0.0009090000000000 ] - [ 0.0003815600000000, -0.0000701100000000, -0.0009384100000000 ] - [ 0.0052470200000000, 0.0103000700000000, -0.0082414300000000 ] - [ -0.0055565600000000, -0.0035191200000000, 0.0015293100000000 ] - [ -0.0016636200000000, -0.0003804900000000, 0.0024906300000000 ] - [ 0.0018634600000000, 0.0021600800000000, -0.0050131800000000 ] - [ 0.0018441800000000, 0.0003950100000000, 0.0009929800000000 ] - [ -0.0011617900000000, -0.0002166900000000, -0.0010756600000000 ] - [ 0.0058987500000000, -0.0103023200000000, -0.0084210200000000 ] - [ -0.0054807100000000, 0.0031127900000000, 0.0012943400000000 ] - [ 0.0018319500000000, -0.0007517200000000, 0.0007588400000000 ] - [ -0.0011488700000000, -0.0001522100000000, -0.0013360600000000 ] - [ -0.0016062700000000, 0.0000135600000000, 0.0022307700000000 ] - [ 0.0018983700000000, -0.0025220100000000, -0.0052839700000000 ] - [ 0.0035689500000000, -0.0035990400000000, 0.0000908600000000 ] - [ -0.0021589400000000, 0.0009765800000000, 0.0001408400000000 ] - [ 0.0007334500000000, 0.0005134100000000, 0.0006383200000000 ] - [ -0.0007202000000000, -0.0006003700000000, -0.0007568700000000 ] - [ -0.0006676400000000, -0.0001073500000000, 0.0004653600000000 ] - [ 0.0006613200000000, -0.0001371100000000, -0.0011702100000000 ] - [ 0.0032587800000000, 0.0030691100000000, 0.0003986400000000 ] - [ -0.0024605600000000, -0.0015010300000000, 0.0004487100000000 ] - [ -0.0009291200000000, -0.0004350900000000, 0.0007737700000000 ] - [ 0.0004110300000000, -0.0003962100000000, -0.0008631600000000 ] - [ 0.0004743100000000, -0.0010427700000000, 0.0009220500000000 ] - [ -0.0009933500000000, 0.0000676300000000, -0.0004696800000000 ] - [ -0.0011143500000000, -0.0010041200000000, 0.0007884400000000 ] - [ -0.0025427600000000, 0.0034970600000000, -0.0004458000000000 ] - [ 0.0061686600000000, -0.0028695300000000, -0.0013012200000000 ] - [ -0.0038451300000000, 0.0019083800000000, 0.0009469400000000 ] - [ -0.0006336200000000, 0.0003315700000000, 0.0003584500000000 ] - [ 0.0004661500000000, 0.0001340300000000, -0.0003220700000000 ] - [ 0.0064317100000000, 0.0034147000000000, -0.0015821900000000 ] - [ -0.0035879600000000, -0.0013889200000000, 0.0006707200000000 ] - [ -0.0008730700000000, 0.0015292100000000, 0.0004830400000000 ] - [ -0.0022557700000000, -0.0029420700000000, -0.0007552600000000 ] - [ -0.0003250500000000, 0.0001916700000000, 0.0000480000000000 ] - [ 0.0007678700000000, 0.0003876000000000, -0.0006299200000000 ] - [ -0.1485794300000000, 0.0004611900000000, -0.0112961000000000 ] - [ 0.0101587900000000, 0.0000078900000000, 0.0008835800000000 ] - [ 0.0004019000000000, 0.0009925000000000, -0.0056713900000000 ] - [ 0.0018836000000000, -0.0014416300000000, 0.0056030600000000 ] - [ 0.0003804300000000, -0.0009795700000000, -0.0056964600000000 ] - [ 0.0018884700000000, 0.0014669400000000, 0.0055669900000000 ] - [ -0.0033533600000000, 0.0124691800000000, 0.0115427200000000 ] - [ 0.0037806800000000, -0.0028146200000000, -0.0028833800000000 ] - [ 0.0037796200000000, 0.0027744000000000, -0.0028688400000000 ] - [ -0.0034304700000000, -0.0125801600000000, 0.0116226500000000 ] - [ -0.0000290600000000, 0.0005067400000000, -0.0001877100000000 ] - [ -0.0000232600000000, -0.0005305300000000, -0.0002045500000000 ] - [ 0.0009943600000000, -0.0009173100000000, -0.0006651200000000 ] - [ 0.0009856300000000, 0.0009419000000000, -0.0006638000000000 ] - [ 0.0015692000000000, -0.0005967000000000, -0.0007006400000000 ] - [ -0.0020770400000000, 0.0014240200000000, 0.0012787300000000 ] - [ -0.0020748700000000, -0.0013957000000000, 0.0012884200000000 ] - [ 0.0015662900000000, 0.0006264000000000, -0.0007088800000000 ] - [ -0.0054846500000000, 0.0086621300000000, -0.0095425500000000 ] - [ 0.0056630000000000, -0.0022859300000000, 0.0018055200000000 ] - [ -0.0054236500000000, -0.0086775400000000, -0.0095158200000000 ] - [ 0.0056578700000000, 0.0022789800000000, 0.0018180500000000 ] - [ 0.0007192300000000, -0.0000101100000000, -0.0020661000000000 ] - [ -0.0004561300000000, -0.0000146000000000, 0.0040196200000000 ] - [ 0.0491072800000000, -0.0156484800000000, -0.0061407800000000 ] - [ 0.0496828800000000, 0.0163199900000000, -0.0061189400000000 ] - [ 0.0039059600000000, 0.0004751700000000, -0.0014930200000000 ] - [ -0.0072854200000000, -0.0003031300000000, 0.0032221900000000 ] - [ -0.0072590900000000, 0.0008125000000000, 0.0033452800000000 ] - [ 0.0039225000000000, 0.0000044700000000, -0.0015177000000000 ] - [ -0.0030774200000000, -0.0101035000000000, -0.0071134500000000 ] - [ 0.0053681800000000, 0.0025280400000000, 0.0007392800000000 ] - [ -0.0029012800000000, 0.0096522500000000, -0.0071076400000000 ] - [ 0.0053784800000000, -0.0030293100000000, 0.0007427200000000 ] - [ 0.0021551900000000, -0.0002518200000000, -0.0021270900000000 ] - [ -0.0019483100000000, -0.0002452400000000, 0.0035169800000000 ] - [ -0.0091366800000000, 0.0002599600000000, 0.0012813400000000 ] - [ 0.0049240800000000, 0.0002484500000000, -0.0009302600000000 ] - [ 0.0010025500000000, 0.0005636500000000, -0.0018612700000000 ] - [ -0.0000224300000000, 0.0006116000000000, 0.0023183600000000 ] - [ 0.0009866000000000, -0.0000681500000000, -0.0018589800000000 ] - [ -0.0000030500000000, -0.0001319500000000, 0.0023014100000000 ] - [ -0.0053805600000000, -0.0127182800000000, 0.0231321600000000 ] - [ 0.0075745700000000, 0.0039517700000000, -0.0047278900000000 ] - [ 0.0075614600000000, -0.0043996800000000, -0.0047097400000000 ] - [ -0.0054780600000000, 0.0122459000000000, 0.0231852500000000 ] - [ -0.0002712300000000, 0.0000434000000000, 0.0003154000000000 ] - [ -0.0002559400000000, -0.0005453300000000, 0.0002964900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032098900000000, 0.0030914500000000, -0.0006869900000000 ] - [ 0.0028786800000000, 0.0038309500000000, -0.0016849200000000 ] - [ -0.0011614400000000, 0.0136925700000000, -0.0034393100000000 ] - [ -0.0001779700000000, 0.0006183000000000, 0.0000728200000000 ] - [ 0.0005867200000000, 0.0008093300000000, -0.0004252600000000 ] - [ -0.0008133300000000, -0.0009480900000000, 0.0021186000000000 ] - [ 0.0011614400000000, 0.0136925700000000, 0.0034393100000000 ] - [ 0.0001779700000000, 0.0006183000000000, -0.0000728200000000 ] - [ 0.0032098900000000, 0.0030914500000000, 0.0006869900000000 ] - [ -0.0028786800000000, 0.0038309500000000, 0.0016849200000000 ] - [ -0.0005867200000000, 0.0008093300000000, 0.0004252600000000 ] - [ 0.0008133300000000, -0.0009480900000000, -0.0021186000000000 ] - [ 0.0014348600000000, -0.0051023100000000, 0.0029520900000000 ] - [ -0.0004337700000000, -0.0006249500000000, -0.0001232000000000 ] - [ -0.0000343200000000, -0.0029661600000000, 0.0056372400000000 ] - [ -0.0001538900000000, -0.0006133100000000, 0.0005680700000000 ] - [ 0.0002053700000000, -0.0003872100000000, -0.0003267500000000 ] - [ -0.0005092300000000, -0.0008117800000000, -0.0016763000000000 ] - [ -0.0014348600000000, -0.0051023100000000, -0.0029520900000000 ] - [ 0.0004337700000000, -0.0006249500000000, 0.0001232000000000 ] - [ -0.0002053700000000, -0.0003872100000000, 0.0003267500000000 ] - [ 0.0005092300000000, -0.0008117800000000, 0.0016763000000000 ] - [ 0.0000343200000000, -0.0029661600000000, -0.0056372400000000 ] - [ 0.0001538900000000, -0.0006133100000000, -0.0005680700000000 ] - [ 0.0025439100000000, 0.0219196900000000, 0.0036818200000000 ] - [ 0.0001295300000000, 0.0014712200000000, 0.0006424000000000 ] - [ -0.0006767700000000, 0.0007522600000000, 0.0003975300000000 ] - [ -0.0019591300000000, 0.0054091600000000, 0.0028725300000000 ] - [ -0.0033154300000000, 0.0044508000000000, -0.0013915300000000 ] - [ 0.0004572500000000, 0.0004606100000000, -0.0001250300000000 ] - [ -0.0025439100000000, 0.0219196900000000, -0.0036818200000000 ] - [ -0.0001295300000000, 0.0014712200000000, -0.0006424000000000 ] - [ 0.0033154300000000, 0.0044508000000000, 0.0013915300000000 ] - [ -0.0004572500000000, 0.0004606100000000, 0.0001250300000000 ] - [ 0.0006767700000000, 0.0007522600000000, -0.0003975300000000 ] - [ 0.0019591300000000, 0.0054091600000000, -0.0028725300000000 ] - [ 0.0071952200000000, 0.0078967700000000, 0.0042186000000000 ] - [ -0.0000144300000000, 0.0005979000000000, 0.0001487300000000 ] - [ -0.0057344600000000, 0.0028960100000000, 0.0027478600000000 ] - [ 0.0017012100000000, 0.0007612200000000, 0.0012847200000000 ] - [ -0.0003498800000000, 0.0007094300000000, 0.0000162600000000 ] - [ -0.0002196100000000, 0.0012457500000000, 0.0002973900000000 ] - [ 0.0057344600000000, 0.0028960100000000, -0.0027478600000000 ] - [ -0.0017012100000000, 0.0007612200000000, -0.0012847200000000 ] - [ -0.0071952200000000, 0.0078967700000000, -0.0042186000000000 ] - [ 0.0000144300000000, 0.0005979000000000, -0.0001487300000000 ] - [ 0.0003498800000000, 0.0007094300000000, -0.0000162600000000 ] - [ 0.0002196100000000, 0.0012457500000000, -0.0002973900000000 ] - [ -0.0008663700000000, -0.0052908200000000, 0.0001448600000000 ] - [ 0.0002137000000000, -0.0003452400000000, -0.0000266800000000 ] - [ -0.0029287200000000, -0.0030263500000000, 0.0012065600000000 ] - [ 0.0010132700000000, -0.0016184000000000, 0.0010272500000000 ] - [ 0.0003215600000000, -0.0000180000000000, -0.0007465000000000 ] - [ 0.0002245900000000, -0.0002754700000000, 0.0002695300000000 ] - [ 0.0029287200000000, -0.0030263500000000, -0.0012065600000000 ] - [ -0.0010132700000000, -0.0016184000000000, -0.0010272500000000 ] - [ 0.0008663700000000, -0.0052908200000000, -0.0001448600000000 ] - [ -0.0002137000000000, -0.0003452400000000, 0.0000266800000000 ] - [ -0.0003215600000000, -0.0000180000000000, 0.0007465000000000 ] - [ -0.0002245900000000, -0.0002754700000000, -0.0002695300000000 ] - [ 0.0046829600000000, 0.0084354800000000, 0.0061930400000000 ] - [ 0.0008298900000000, 0.0013575300000000, -0.0000669100000000 ] - [ 0.0000807000000000, -0.0001257500000000, -0.0000814800000000 ] - [ -0.0016922900000000, 0.0015751700000000, -0.0037097300000000 ] - [ -0.0020628500000000, -0.0005389100000000, 0.0033741700000000 ] - [ 0.0007901700000000, 0.0002375200000000, -0.0004776200000000 ] - [ -0.0046829600000000, 0.0084354800000000, -0.0061930400000000 ] - [ -0.0008298900000000, 0.0013575300000000, 0.0000669100000000 ] - [ 0.0020628500000000, -0.0005389100000000, -0.0033741700000000 ] - [ -0.0007901700000000, 0.0002375200000000, 0.0004776200000000 ] - [ -0.0000807000000000, -0.0001257500000000, 0.0000814800000000 ] - [ 0.0016922900000000, 0.0015751700000000, 0.0037097300000000 ] - [ 0.0017228000000000, -0.0060690400000000, -0.0009582800000000 ] - [ 0.0006666100000000, -0.0011053700000000, -0.0005718100000000 ] - [ 0.0015647400000000, -0.0033675300000000, -0.0014280000000000 ] - [ -0.0000978700000000, -0.0011851200000000, -0.0004361500000000 ] - [ 0.0008692200000000, -0.0013268500000000, -0.0004703000000000 ] - [ 0.0008259400000000, -0.0021981700000000, -0.0000898900000000 ] - [ -0.0017228000000000, -0.0060690400000000, 0.0009582800000000 ] - [ -0.0006666100000000, -0.0011053700000000, 0.0005718100000000 ] - [ -0.0008692200000000, -0.0013268500000000, 0.0004703000000000 ] - [ -0.0008259400000000, -0.0021981700000000, 0.0000898900000000 ] - [ -0.0015647400000000, -0.0033675300000000, 0.0014280000000000 ] - [ 0.0000978700000000, -0.0011851200000000, 0.0004361500000000 ] - [ -0.0022091700000000, -0.0005197600000000, 0.0004314100000000 ] - [ 0.0047204900000000, -0.0039606100000000, -0.0006410800000000 ] - [ 0.0017896100000000, -0.0045931100000000, -0.0016265500000000 ] - [ -0.0001856400000000, -0.0001093600000000, 0.0000258800000000 ] - [ 0.0008830600000000, -0.0006355100000000, -0.0001703700000000 ] - [ -0.0005862700000000, -0.0007030200000000, 0.0001344400000000 ] - [ -0.0017896100000000, -0.0045931100000000, 0.0016265500000000 ] - [ 0.0001856400000000, -0.0001093600000000, -0.0000258800000000 ] - [ 0.0022091700000000, -0.0005197600000000, -0.0004314100000000 ] - [ -0.0047204900000000, -0.0039606100000000, 0.0006410800000000 ] - [ -0.0008830600000000, -0.0006355100000000, 0.0001703700000000 ] - [ 0.0005862700000000, -0.0007030200000000, -0.0001344400000000 ] - [ 0.0000000000000000, -0.1315870100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008859200000000, 0.0000000000000000 ] - [ -0.0009851100000000, -0.0030589300000000, -0.0014877200000000 ] - [ 0.0014518700000000, -0.0025921600000000, -0.0010371600000000 ] - [ 0.0009851100000000, -0.0030589300000000, 0.0014877200000000 ] - [ -0.0014518700000000, -0.0025921600000000, 0.0010371600000000 ] - [ 0.0124627900000000, 0.0066069600000000, 0.0109286400000000 ] - [ -0.0027891200000000, 0.0002098200000000, -0.0000233600000000 ] - [ 0.0027891200000000, 0.0002098200000000, 0.0000233600000000 ] - [ -0.0124627900000000, 0.0066069600000000, -0.0109286400000000 ] - [ 0.0005174600000000, -0.0016528900000000, 0.0013471500000000 ] - [ -0.0005174600000000, -0.0016528900000000, -0.0013471500000000 ] - [ 0.0009184800000000, 0.0046073100000000, 0.0018084100000000 ] - [ -0.0009184800000000, 0.0046073100000000, -0.0018084100000000 ] - [ 0.0006130900000000, 0.0010835300000000, -0.0000084600000000 ] - [ -0.0014026700000000, 0.0045783300000000, -0.0002013400000000 ] - [ 0.0014026700000000, 0.0045783300000000, 0.0002013400000000 ] - [ -0.0006130900000000, 0.0010835300000000, 0.0000084600000000 ] - [ 0.0087002900000000, 0.0107897300000000, -0.0089148000000000 ] - [ -0.0022810500000000, -0.0001829100000000, 0.0002807700000000 ] - [ -0.0087002900000000, 0.0107897300000000, 0.0089148000000000 ] - [ 0.0022810500000000, -0.0001829100000000, -0.0002807700000000 ] - [ 0.0000000000000000, 0.0004671700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024743600000000, 0.0000000000000000 ] - [ -0.0011380300000000, -0.0217448500000000, 0.0006107200000000 ] - [ 0.0011380300000000, -0.0217448500000000, -0.0006107200000000 ] - [ 0.0009931700000000, -0.0012533500000000, -0.0005039200000000 ] - [ -0.0019257200000000, -0.0131959700000000, 0.0108983600000000 ] - [ 0.0019257200000000, -0.0131959700000000, -0.0108983600000000 ] - [ -0.0009931700000000, -0.0012533500000000, 0.0005039200000000 ] - [ -0.0207354700000000, 0.0182840100000000, 0.0110522500000000 ] - [ 0.0008409500000000, 0.0003831400000000, 0.0005819800000000 ] - [ 0.0207354700000000, 0.0182840100000000, -0.0110522500000000 ] - [ -0.0008409500000000, 0.0003831400000000, -0.0005819800000000 ] - [ 0.0000000000000000, -0.0007945600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020520200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0138595500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019056500000000, 0.0000000000000000 ] - [ 0.0008256400000000, 0.0044679000000000, -0.0021029200000000 ] - [ 0.0005664700000000, 0.0034198500000000, -0.0004096600000000 ] - [ -0.0008256400000000, 0.0044679000000000, 0.0021029200000000 ] - [ -0.0005664700000000, 0.0034198500000000, 0.0004096600000000 ] - [ -0.0111169600000000, 0.0131896800000000, -0.0165744000000000 ] - [ 0.0014273900000000, -0.0006136400000000, 0.0000028100000000 ] - [ -0.0014273900000000, -0.0006136400000000, -0.0000028100000000 ] - [ 0.0111169600000000, 0.0131896800000000, 0.0165744000000000 ] - [ 0.0021219000000000, 0.0012279200000000, -0.0021527100000000 ] - [ -0.0021219000000000, 0.0012279200000000, 0.0021527100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032088400000000, -0.0027057500000000, 0.0004184000000000 ] - [ -0.0028554100000000, -0.0034450200000000, 0.0014224300000000 ] - [ 0.0012448000000000, -0.0130118000000000, 0.0036331900000000 ] - [ 0.0002384100000000, -0.0002516800000000, -0.0003378000000000 ] - [ -0.0005370000000000, -0.0004316800000000, 0.0001990600000000 ] - [ 0.0008623900000000, 0.0013272400000000, -0.0023534500000000 ] - [ -0.0012448000000000, -0.0130118000000000, -0.0036331900000000 ] - [ -0.0002384100000000, -0.0002516800000000, 0.0003378000000000 ] - [ -0.0032088400000000, -0.0027057500000000, -0.0004184000000000 ] - [ 0.0028554100000000, -0.0034450200000000, -0.0014224300000000 ] - [ 0.0005370000000000, -0.0004316800000000, -0.0001990600000000 ] - [ -0.0008623900000000, 0.0013272400000000, 0.0023534500000000 ] - [ -0.0015139100000000, 0.0047292600000000, -0.0027277500000000 ] - [ 0.0003878700000000, 0.0002396500000000, 0.0003555700000000 ] - [ -0.0000260600000000, 0.0026037600000000, -0.0053869200000000 ] - [ 0.0000944100000000, 0.0002436600000000, -0.0002874700000000 ] - [ -0.0002163600000000, 0.0000205500000000, 0.0005717800000000 ] - [ 0.0005061500000000, 0.0004419300000000, 0.0019305700000000 ] - [ 0.0015139100000000, 0.0047292600000000, 0.0027277500000000 ] - [ -0.0003878700000000, 0.0002396500000000, -0.0003555700000000 ] - [ 0.0002163600000000, 0.0000205500000000, -0.0005717800000000 ] - [ -0.0005061500000000, 0.0004419300000000, -0.0019305700000000 ] - [ 0.0000260600000000, 0.0026037600000000, 0.0053869200000000 ] - [ -0.0000944100000000, 0.0002436600000000, 0.0002874700000000 ] - [ -0.0028118600000000, -0.0226199200000000, -0.0040770900000000 ] - [ 0.0002148400000000, -0.0020066700000000, -0.0009667800000000 ] - [ 0.0009488600000000, -0.0012886200000000, -0.0006815600000000 ] - [ 0.0022318100000000, -0.0059650500000000, -0.0031659300000000 ] - [ 0.0035915800000000, -0.0050168000000000, 0.0010889800000000 ] - [ -0.0001959500000000, -0.0010061000000000, -0.0001882200000000 ] - [ 0.0028118600000000, -0.0226199200000000, 0.0040770900000000 ] - [ -0.0002148400000000, -0.0020066700000000, 0.0009667800000000 ] - [ -0.0035915800000000, -0.0050168000000000, -0.0010889800000000 ] - [ 0.0001959500000000, -0.0010061000000000, 0.0001882200000000 ] - [ -0.0009488600000000, -0.0012886200000000, 0.0006815600000000 ] - [ -0.0022318100000000, -0.0059650500000000, 0.0031659300000000 ] - [ -0.0073991100000000, -0.0080910200000000, -0.0047174800000000 ] - [ -0.0002513000000000, -0.0000578800000000, 0.0001588100000000 ] - [ 0.0055025000000000, -0.0023889400000000, -0.0024603800000000 ] - [ -0.0019650600000000, -0.0002450100000000, -0.0009863200000000 ] - [ 0.0000419000000000, -0.0001893500000000, 0.0002938100000000 ] - [ -0.0000920600000000, -0.0007245900000000, 0.0000123300000000 ] - [ -0.0055025000000000, -0.0023889400000000, 0.0024603800000000 ] - [ 0.0019650600000000, -0.0002450100000000, 0.0009863200000000 ] - [ 0.0073991100000000, -0.0080910200000000, 0.0047174800000000 ] - [ 0.0002513000000000, -0.0000578800000000, -0.0001588100000000 ] - [ -0.0000419000000000, -0.0001893500000000, -0.0002938100000000 ] - [ 0.0000920600000000, -0.0007245900000000, -0.0000123300000000 ] - [ 0.0008796200000000, 0.0056723000000000, -0.0003790500000000 ] - [ -0.0002094700000000, 0.0007087300000000, -0.0002222400000000 ] - [ 0.0030044900000000, 0.0033961800000000, -0.0014813600000000 ] - [ -0.0009636300000000, 0.0019835300000000, -0.0013044100000000 ] - [ -0.0002720900000000, 0.0003956300000000, 0.0005278400000000 ] - [ -0.0001755500000000, 0.0006514300000000, -0.0005007100000000 ] - [ -0.0030044900000000, 0.0033961800000000, 0.0014813600000000 ] - [ 0.0009636300000000, 0.0019835300000000, 0.0013044100000000 ] - [ -0.0008796200000000, 0.0056723000000000, 0.0003790500000000 ] - [ 0.0002094700000000, 0.0007087300000000, 0.0002222400000000 ] - [ 0.0002720900000000, 0.0003956300000000, -0.0005278400000000 ] - [ 0.0001755500000000, 0.0006514300000000, 0.0005007100000000 ] - [ -0.0051944000000000, -0.0082523800000000, -0.0059825300000000 ] - [ -0.0008725800000000, -0.0017249000000000, 0.0002890100000000 ] - [ -0.0001421100000000, -0.0002394300000000, 0.0003573200000000 ] - [ 0.0016478700000000, -0.0019301200000000, 0.0039780300000000 ] - [ 0.0020691800000000, 0.0001822000000000, -0.0031346700000000 ] - [ -0.0007992500000000, -0.0006015900000000, 0.0007236900000000 ] - [ 0.0051944000000000, -0.0082523800000000, 0.0059825300000000 ] - [ 0.0008725800000000, -0.0017249000000000, -0.0002890100000000 ] - [ -0.0020691800000000, 0.0001822000000000, 0.0031346700000000 ] - [ 0.0007992500000000, -0.0006015900000000, -0.0007236900000000 ] - [ 0.0001421100000000, -0.0002394300000000, -0.0003573200000000 ] - [ -0.0016478700000000, -0.0019301200000000, -0.0039780300000000 ] - [ -0.0014268700000000, 0.0055376500000000, 0.0006503300000000 ] - [ -0.0003472500000000, 0.0005789700000000, 0.0002602300000000 ] - [ -0.0012877400000000, 0.0028326000000000, 0.0011353700000000 ] - [ 0.0003652000000000, 0.0006537400000000, 0.0001519300000000 ] - [ -0.0006147400000000, 0.0007898900000000, 0.0001617600000000 ] - [ -0.0005557000000000, 0.0016534900000000, -0.0002199700000000 ] - [ 0.0014268700000000, 0.0055376500000000, -0.0006503300000000 ] - [ 0.0003472500000000, 0.0005789700000000, -0.0002602300000000 ] - [ 0.0006147400000000, 0.0007898900000000, -0.0001617600000000 ] - [ 0.0005557000000000, 0.0016534900000000, 0.0002199700000000 ] - [ 0.0012877400000000, 0.0028326000000000, -0.0011353700000000 ] - [ -0.0003652000000000, 0.0006537400000000, -0.0001519300000000 ] - [ 0.0019356200000000, 0.0010734500000000, -0.0001178100000000 ] - [ -0.0049814500000000, 0.0045186400000000, 0.0009527900000000 ] - [ -0.0020646300000000, 0.0051444000000000, 0.0018983600000000 ] - [ -0.0000893500000000, 0.0006496900000000, 0.0002619100000000 ] - [ -0.0011946800000000, 0.0011658800000000, 0.0004802100000000 ] - [ 0.0002715400000000, 0.0012363600000000, 0.0001813300000000 ] - [ 0.0020646300000000, 0.0051444000000000, -0.0018983600000000 ] - [ 0.0000893500000000, 0.0006496900000000, -0.0002619100000000 ] - [ -0.0019356200000000, 0.0010734500000000, 0.0001178100000000 ] - [ 0.0049814500000000, 0.0045186400000000, -0.0009527900000000 ] - [ 0.0011946800000000, 0.0011658800000000, -0.0004802100000000 ] - [ -0.0002715400000000, 0.0012363600000000, -0.0001813300000000 ] - [ 0.0000000000000000, 0.1319326000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008954400000000, 0.0000000000000000 ] - [ 0.0009909200000000, 0.0030896800000000, 0.0014826300000000 ] - [ -0.0014549300000000, 0.0026108500000000, 0.0010291400000000 ] - [ -0.0009909200000000, 0.0030896800000000, -0.0014826300000000 ] - [ 0.0014549300000000, 0.0026108500000000, -0.0010291400000000 ] - [ -0.0125919600000000, -0.0066332300000000, -0.0110106200000000 ] - [ 0.0028019600000000, -0.0002146600000000, 0.0000356700000000 ] - [ -0.0028019600000000, -0.0002146600000000, -0.0000356700000000 ] - [ 0.0125919600000000, -0.0066332300000000, 0.0110106200000000 ] - [ -0.0005187500000000, 0.0016447700000000, -0.0013546600000000 ] - [ 0.0005187500000000, 0.0016447700000000, 0.0013546600000000 ] - [ -0.0009443800000000, -0.0045993300000000, -0.0018127500000000 ] - [ 0.0009443800000000, -0.0045993300000000, 0.0018127500000000 ] - [ -0.0006128800000000, -0.0010680000000000, 0.0000053600000000 ] - [ 0.0014085500000000, -0.0045662800000000, 0.0002168300000000 ] - [ -0.0014085500000000, -0.0045662800000000, -0.0002168300000000 ] - [ 0.0006128800000000, -0.0010680000000000, -0.0000053600000000 ] - [ -0.0086344100000000, -0.0107662700000000, 0.0088066300000000 ] - [ 0.0022809300000000, 0.0001582500000000, -0.0002793900000000 ] - [ 0.0086344100000000, -0.0107662700000000, -0.0088066300000000 ] - [ -0.0022809300000000, 0.0001582500000000, 0.0002793900000000 ] - [ 0.0000000000000000, -0.0004901800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024975600000000, 0.0000000000000000 ] - [ 0.0012945700000000, 0.0220762400000000, -0.0006384100000000 ] - [ -0.0012945700000000, 0.0220762400000000, 0.0006384100000000 ] - [ -0.0009994500000000, 0.0017476000000000, 0.0005062900000000 ] - [ 0.0019263600000000, 0.0137656900000000, -0.0109775100000000 ] - [ -0.0019263600000000, 0.0137656900000000, 0.0109775100000000 ] - [ 0.0009994500000000, 0.0017476000000000, -0.0005062900000000 ] - [ 0.0208951100000000, -0.0188651600000000, -0.0111450600000000 ] - [ -0.0008431700000000, -0.0008524400000000, -0.0005718000000000 ] - [ -0.0208951100000000, -0.0188651600000000, 0.0111450600000000 ] - [ 0.0008431700000000, -0.0008524400000000, 0.0005718000000000 ] - [ 0.0000000000000000, 0.0002942500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015597300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0133730500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013994900000000, 0.0000000000000000 ] - [ -0.0008433400000000, -0.0039806600000000, 0.0021199200000000 ] - [ -0.0005664900000000, -0.0029276800000000, 0.0004184300000000 ] - [ 0.0008433400000000, -0.0039806600000000, -0.0021199200000000 ] - [ 0.0005664900000000, -0.0029276800000000, -0.0004184300000000 ] - [ 0.0110564900000000, -0.0136743500000000, 0.0164430100000000 ] - [ -0.0014349300000000, 0.0001025100000000, 0.0000109600000000 ] - [ 0.0014349300000000, 0.0001025100000000, -0.0000109600000000 ] - [ -0.0110564900000000, -0.0136743500000000, -0.0164430100000000 ] - [ -0.0021216600000000, -0.0017448800000000, 0.0021572100000000 ] - [ 0.0021216600000000, -0.0017448800000000, -0.0021572100000000 ]- atom: 97 displacement: [ -0.0065057964755441, 0.0000000000000000, 0.0075943803051203 ] forces: - [ 0.0043889800000000, 0.0031575600000000, -0.0026961200000000 ] - [ 0.0011148200000000, -0.0023548400000000, 0.0054807500000000 ] - [ -0.0093607500000000, 0.0052545900000000, 0.0114632900000000 ] - [ 0.0016137300000000, 0.0006316700000000, -0.0005551900000000 ] - [ 0.0010258200000000, 0.0002726800000000, -0.0024796600000000 ] - [ -0.0010025700000000, 0.0029107500000000, -0.0045501500000000 ] - [ -0.0094556200000000, -0.0044090500000000, 0.0108516700000000 ] - [ 0.0015396200000000, -0.0002655900000000, -0.0003030500000000 ] - [ 0.0044274300000000, -0.0028124900000000, -0.0024376200000000 ] - [ 0.0011022800000000, 0.0027187200000000, 0.0057203000000000 ] - [ 0.0009634700000000, 0.0001066400000000, -0.0022648000000000 ] - [ -0.0010676700000000, -0.0025378500000000, -0.0043446500000000 ] - [ -0.0006971900000000, -0.0040375200000000, 0.0056218200000000 ] - [ 0.0009340500000000, 0.0004734100000000, 0.0008074200000000 ] - [ -0.0001140500000000, 0.0022855800000000, -0.0040027600000000 ] - [ 0.0001238500000000, -0.0006691800000000, -0.0002745900000000 ] - [ 0.0010722600000000, 0.0000756100000000, -0.0015651900000000 ] - [ -0.0010977000000000, -0.0004052700000000, 0.0001417300000000 ] - [ -0.0006284300000000, 0.0036600300000000, 0.0054230700000000 ] - [ 0.0009954900000000, -0.0008545000000000, 0.0005888100000000 ] - [ 0.0010931900000000, -0.0004403600000000, -0.0017930600000000 ] - [ -0.0010787300000000, 0.0000341200000000, -0.0000935100000000 ] - [ -0.0000365900000000, -0.0026542300000000, -0.0042599400000000 ] - [ 0.0001933600000000, 0.0003004600000000, -0.0005411700000000 ] - [ -0.0127225500000000, -0.0077012600000000, 0.0050703500000000 ] - [ 0.0059211600000000, -0.0023832500000000, -0.0006614200000000 ] - [ 0.0029387500000000, -0.0009953200000000, -0.0011828100000000 ] - [ -0.0058026500000000, 0.0020922300000000, -0.0008354700000000 ] - [ 0.0019878300000000, -0.0014315600000000, -0.0034243900000000 ] - [ 0.0011273600000000, -0.0010151500000000, -0.0010004300000000 ] - [ -0.0125022800000000, 0.0069923100000000, 0.0055047600000000 ] - [ 0.0055922300000000, 0.0018512700000000, -0.0003344400000000 ] - [ 0.0017083900000000, 0.0008941300000000, -0.0031218700000000 ] - [ 0.0008648400000000, 0.0004761000000000, -0.0006830900000000 ] - [ 0.0026655000000000, 0.0004692000000000, -0.0008953100000000 ] - [ -0.0060668100000000, -0.0026179900000000, -0.0005450100000000 ] - [ -0.0015601000000000, -0.0026938700000000, 0.0089963200000000 ] - [ 0.0021623100000000, 0.0000867800000000, 0.0002609000000000 ] - [ 0.0046974800000000, 0.0009485500000000, -0.0019332600000000 ] - [ 0.0003922100000000, -0.0013714500000000, 0.0016763700000000 ] - [ 0.0019355200000000, -0.0009947300000000, -0.0014049800000000 ] - [ -0.0020427000000000, 0.0011036300000000, -0.0008430500000000 ] - [ 0.0049609200000000, -0.0003985900000000, -0.0022309400000000 ] - [ 0.0006550000000000, 0.0018946400000000, 0.0013794300000000 ] - [ -0.0013704300000000, 0.0027061700000000, 0.0091921100000000 ] - [ 0.0024344900000000, 0.0004577700000000, -0.0000548900000000 ] - [ 0.0022438200000000, 0.0015142000000000, -0.0017209500000000 ] - [ -0.0017243800000000, -0.0005780900000000, -0.0011569600000000 ] - [ -0.0029801400000000, -0.0043208700000000, 0.0024367800000000 ] - [ 0.0011313300000000, 0.0000586600000000, -0.0000210300000000 ] - [ 0.0023896600000000, 0.0025286300000000, -0.0008396900000000 ] - [ -0.0002698400000000, 0.0005408100000000, 0.0006100600000000 ] - [ 0.0010816400000000, 0.0005475800000000, -0.0018366000000000 ] - [ -0.0008362600000000, 0.0001700200000000, -0.0009445400000000 ] - [ 0.0023164000000000, -0.0021638500000000, -0.0005917000000000 ] - [ -0.0003401400000000, -0.0001732200000000, 0.0008672900000000 ] - [ -0.0030074400000000, 0.0046942000000000, 0.0026691200000000 ] - [ 0.0011149000000000, 0.0003090300000000, 0.0002165900000000 ] - [ 0.0010166500000000, -0.0001647100000000, -0.0016273600000000 ] - [ -0.0008969100000000, 0.0002106100000000, -0.0007292900000000 ] - [ -0.0046289800000000, -0.0055155800000000, 0.0150240000000000 ] - [ 0.0029869200000000, 0.0013582600000000, 0.0003070500000000 ] - [ 0.0017754400000000, -0.0002658300000000, -0.0016673900000000 ] - [ -0.0046815300000000, -0.0035844200000000, 0.0010136800000000 ] - [ 0.0015555100000000, 0.0017126400000000, -0.0043878400000000 ] - [ 0.0007708300000000, 0.0004754200000000, -0.0009511500000000 ] - [ -0.0043500800000000, 0.0052946200000000, 0.0148106300000000 ] - [ 0.0030462300000000, -0.0017318300000000, 0.0001054800000000 ] - [ 0.0015700200000000, -0.0020870700000000, -0.0046307000000000 ] - [ 0.0007930300000000, -0.0008437600000000, -0.0011805700000000 ] - [ 0.0018436800000000, -0.0001067000000000, -0.0019252200000000 ] - [ -0.0046085600000000, 0.0032011100000000, 0.0007415500000000 ] - [ -0.0023562700000000, 0.0020618100000000, 0.0012897100000000 ] - [ 0.0015193400000000, -0.0008583400000000, 0.0000601500000000 ] - [ 0.0003959900000000, -0.0010413000000000, -0.0010162600000000 ] - [ 0.0003020100000000, 0.0000827500000000, -0.0001691700000000 ] - [ 0.0019110500000000, -0.0010725300000000, -0.0010766600000000 ] - [ -0.0012199800000000, -0.0000874300000000, -0.0001917000000000 ] - [ -0.0026647200000000, -0.0025750600000000, 0.0016090300000000 ] - [ 0.0012037200000000, 0.0003334600000000, 0.0003760200000000 ] - [ 0.0016512300000000, 0.0005364400000000, -0.0007622600000000 ] - [ -0.0014924800000000, -0.0004566600000000, 0.0001286600000000 ] - [ 0.0001226100000000, 0.0005111200000000, -0.0007255000000000 ] - [ 0.0000291900000000, -0.0006096100000000, 0.0001181200000000 ] - [ 0.0018407700000000, 0.0010321400000000, 0.0003387000000000 ] - [ -0.0018408100000000, 0.0008329300000000, 0.0020551800000000 ] - [ -0.0048443100000000, -0.0008047300000000, 0.0007519700000000 ] - [ 0.0025287800000000, -0.0010175900000000, -0.0004897500000000 ] - [ 0.0012942100000000, -0.0004943700000000, -0.0007175100000000 ] - [ -0.0012294700000000, 0.0009447300000000, -0.0001405500000000 ] - [ -0.0045548700000000, 0.0013377800000000, 0.0004587200000000 ] - [ 0.0027960900000000, 0.0015440100000000, -0.0007780000000000 ] - [ 0.0021048600000000, -0.0004972800000000, 0.0000289900000000 ] - [ -0.0015691300000000, -0.0002834800000000, 0.0017473200000000 ] - [ 0.0016043400000000, 0.0010141600000000, -0.0010301700000000 ] - [ -0.0009191600000000, -0.0004269500000000, -0.0004564200000000 ] - [ 0.0880453500000000, 0.0000791000000000, -0.0902989900000000 ] - [ -0.0059387800000000, 0.0000117000000000, -0.0009040900000000 ] - [ -0.0045759700000000, 0.0004992500000000, 0.0055310700000000 ] - [ 0.0030146200000000, 0.0017456300000000, -0.0002026300000000 ] - [ -0.0045606900000000, -0.0004648800000000, 0.0055031400000000 ] - [ 0.0030140800000000, -0.0017095200000000, -0.0001936700000000 ] - [ 0.0110142700000000, 0.0001830600000000, -0.0077330500000000 ] - [ -0.0046353800000000, 0.0017801500000000, 0.0009327600000000 ] - [ -0.0046467600000000, -0.0018167300000000, 0.0009253100000000 ] - [ 0.0109938100000000, -0.0001793400000000, -0.0077686100000000 ] - [ -0.0001353500000000, 0.0006694300000000, 0.0036003100000000 ] - [ -0.0001322100000000, -0.0007088100000000, 0.0036057000000000 ] - [ -0.0011493600000000, -0.0007503800000000, -0.0018715600000000 ] - [ -0.0011530200000000, 0.0007788900000000, -0.0018681800000000 ] - [ -0.0015531300000000, 0.0004227600000000, 0.0014082100000000 ] - [ 0.0023278100000000, -0.0007367100000000, 0.0007907700000000 ] - [ 0.0023237100000000, 0.0007679800000000, 0.0007965700000000 ] - [ -0.0015545700000000, -0.0003845400000000, 0.0014091600000000 ] - [ -0.0036782400000000, -0.0123382800000000, 0.0034821800000000 ] - [ -0.0023010000000000, 0.0016761300000000, -0.0007645700000000 ] - [ -0.0036926800000000, 0.0123908900000000, 0.0034767000000000 ] - [ -0.0023129700000000, -0.0017106100000000, -0.0007672600000000 ] - [ -0.0020324200000000, -0.0000160200000000, 0.0023537700000000 ] - [ 0.0033559000000000, -0.0000132000000000, 0.0010975000000000 ] - [ -0.0282768100000000, 0.0091661100000000, -0.0039187700000000 ] - [ -0.0281643000000000, -0.0086631700000000, -0.0037656200000000 ] - [ -0.0040353200000000, 0.0007057300000000, 0.0026143800000000 ] - [ 0.0053491700000000, -0.0011019200000000, 0.0235499400000000 ] - [ 0.0052949900000000, 0.0016539200000000, 0.0234453400000000 ] - [ -0.0040252500000000, -0.0002029800000000, 0.0026120900000000 ] - [ -0.0137319900000000, 0.0205692200000000, 0.0054948900000000 ] - [ -0.0023182600000000, -0.0011616900000000, -0.0007378600000000 ] - [ -0.0137270800000000, -0.0211632600000000, 0.0054879300000000 ] - [ -0.0023229000000000, 0.0006645600000000, -0.0007428200000000 ] - [ -0.0042076100000000, -0.0002612700000000, 0.0034374400000000 ] - [ 0.0034607900000000, -0.0002608000000000, 0.0018195000000000 ] - [ 0.0083233100000000, 0.0002545000000000, -0.0083028200000000 ] - [ -0.0030426000000000, 0.0002588400000000, -0.0002589300000000 ] - [ -0.0034526400000000, -0.0009724900000000, 0.0033046700000000 ] - [ 0.0013944900000000, 0.0003297200000000, 0.0000340900000000 ] - [ -0.0034519100000000, 0.0014801400000000, 0.0033039500000000 ] - [ 0.0014011000000000, 0.0001725600000000, 0.0000324500000000 ] - [ 0.0165840000000000, -0.0037376300000000, -0.0178557900000000 ] - [ -0.0063417900000000, -0.0027801300000000, 0.0023584400000000 ] - [ -0.0063557900000000, 0.0022954500000000, 0.0023473600000000 ] - [ 0.0165976200000000, 0.0031932300000000, -0.0179685400000000 ] - [ -0.0014700300000000, -0.0024131100000000, 0.0041490900000000 ] - [ -0.0014685100000000, 0.0019020800000000, 0.0041529200000000 ]- atom: 121 displacement: [ 0.0099999997563037, 0.0000000000000000, -0.0000022076967763 ] forces: - [ -0.0026823900000000, 0.0000748600000000, 0.0000575300000000 ] - [ 0.0320440800000000, -0.0054180500000000, 0.0167929800000000 ] - [ -0.0034012200000000, -0.0011040400000000, -0.0080722300000000 ] - [ -0.0053080100000000, 0.0001053300000000, 0.0097304200000000 ] - [ 0.0011916300000000, 0.0010698700000000, -0.0011891800000000 ] - [ -0.0014964500000000, -0.0014227500000000, 0.0037084500000000 ] - [ -0.0053987600000000, 0.0002614900000000, 0.0100627400000000 ] - [ -0.0034393700000000, 0.0014672200000000, -0.0077391900000000 ] - [ 0.0319049800000000, 0.0053351300000000, 0.0168966000000000 ] - [ -0.0026963300000000, 0.0002933200000000, 0.0002956500000000 ] - [ -0.0015558600000000, 0.0018006800000000, 0.0039313900000000 ] - [ 0.0011385600000000, -0.0006852800000000, -0.0009912500000000 ] - [ -0.0019151900000000, 0.0002644500000000, -0.0006301400000000 ] - [ -0.0001507900000000, -0.0072400600000000, -0.0026246900000000 ] - [ 0.0010458900000000, 0.0012332300000000, -0.0026412000000000 ] - [ -0.0012418400000000, -0.0010141700000000, 0.0024743000000000 ] - [ -0.0007757500000000, -0.0009377600000000, 0.0002048000000000 ] - [ 0.0013480200000000, 0.0014384300000000, 0.0043201800000000 ] - [ -0.0000799500000000, 0.0068193800000000, -0.0028493200000000 ] - [ -0.0018577200000000, -0.0006432800000000, -0.0008514800000000 ] - [ 0.0013619200000000, -0.0018128600000000, 0.0040883300000000 ] - [ -0.0007606200000000, 0.0005684700000000, -0.0000454600000000 ] - [ -0.0011746300000000, 0.0006469100000000, 0.0022093700000000 ] - [ 0.0011119900000000, -0.0016094800000000, -0.0029191500000000 ] - [ 0.1292560800000000, -0.0962832000000000, -0.0224980400000000 ] - [ -0.0096309800000000, 0.0001818700000000, -0.0002412700000000 ] - [ 0.0002901800000000, 0.0005268700000000, 0.0044100200000000 ] - [ -0.0015064300000000, -0.0000925000000000, -0.0007738200000000 ] - [ -0.0035602900000000, 0.0013783900000000, 0.0018249100000000 ] - [ 0.0025437200000000, -0.0009205200000000, -0.0015680800000000 ] - [ -0.0099596500000000, -0.0006972600000000, 0.0000620100000000 ] - [ 0.1239625600000000, 0.0902448500000000, -0.0207737200000000 ] - [ 0.0023144600000000, 0.0003851700000000, -0.0012659000000000 ] - [ -0.0038179000000000, -0.0019153900000000, 0.0021292100000000 ] - [ -0.0017760900000000, -0.0004342800000000, -0.0004849900000000 ] - [ 0.0000579000000000, -0.0010479000000000, 0.0046909800000000 ] - [ -0.0095045300000000, 0.0067015900000000, 0.0047612200000000 ] - [ -0.0025874600000000, -0.0065582400000000, -0.0068860400000000 ] - [ 0.0134524800000000, 0.0003103200000000, -0.0034772600000000 ] - [ -0.0045108500000000, 0.0016514600000000, 0.0008448900000000 ] - [ -0.0013472500000000, 0.0000734800000000, 0.0012442800000000 ] - [ 0.0011428500000000, 0.0005134400000000, 0.0000663800000000 ] - [ -0.0042450800000000, -0.0011187800000000, 0.0005655200000000 ] - [ 0.0136991100000000, 0.0001919100000000, -0.0037514800000000 ] - [ -0.0023019600000000, 0.0071372500000000, -0.0072068700000000 ] - [ -0.0092369600000000, -0.0061281200000000, 0.0044293600000000 ] - [ 0.0014375500000000, -0.0000214700000000, -0.0002231400000000 ] - [ -0.0010337300000000, 0.0004524500000000, 0.0009324600000000 ] - [ -0.0015195300000000, 0.0011498400000000, 0.0002843000000000 ] - [ -0.0007585000000000, -0.0002179800000000, -0.0017586300000000 ] - [ 0.0041227300000000, 0.0009949900000000, -0.0007330400000000 ] - [ -0.0024514200000000, -0.0007066100000000, 0.0003262200000000 ] - [ -0.0007515400000000, 0.0000490000000000, 0.0016510300000000 ] - [ 0.0009433300000000, 0.0001538300000000, -0.0006879000000000 ] - [ -0.0025206900000000, 0.0010772600000000, 0.0005984000000000 ] - [ 0.0040529400000000, -0.0006326300000000, -0.0004674100000000 ] - [ -0.0007671600000000, 0.0005846300000000, -0.0015181500000000 ] - [ -0.0015426200000000, -0.0007849800000000, 0.0005240700000000 ] - [ 0.0008859000000000, 0.0002243600000000, -0.0004653600000000 ] - [ -0.0008042300000000, 0.0003281100000000, 0.0018700800000000 ] - [ -0.0001763400000000, -0.0216060400000000, 0.0168315600000000 ] - [ -0.0058900000000000, 0.0017227200000000, -0.0015641900000000 ] - [ 0.0021223100000000, -0.0048310100000000, 0.0060137300000000 ] - [ -0.0012681300000000, 0.0000296400000000, -0.0005768400000000 ] - [ -0.0026833700000000, -0.0014410800000000, 0.0035484400000000 ] - [ 0.0022133200000000, -0.0003939000000000, -0.0017871500000000 ] - [ -0.0058479800000000, -0.0021171200000000, -0.0017956300000000 ] - [ -0.0009208700000000, 0.0215204500000000, 0.0165673700000000 ] - [ 0.0022562700000000, 0.0000385300000000, -0.0020144400000000 ] - [ -0.0026683200000000, 0.0010718700000000, 0.0032951200000000 ] - [ -0.0012023400000000, -0.0003980800000000, -0.0008320700000000 ] - [ 0.0022421000000000, 0.0044998200000000, 0.0057316300000000 ] - [ -0.0028804500000000, 0.0000356600000000, -0.0002475600000000 ] - [ 0.0009561900000000, 0.0036168700000000, -0.0016114400000000 ] - [ 0.0029511000000000, -0.0022876600000000, -0.0015296500000000 ] - [ -0.0022195400000000, 0.0006812300000000, 0.0008973600000000 ] - [ -0.0012558800000000, 0.0007513500000000, 0.0002470300000000 ] - [ 0.0019979900000000, -0.0017156500000000, 0.0004217600000000 ] - [ 0.0006430100000000, -0.0041700300000000, -0.0013057600000000 ] - [ -0.0031918500000000, -0.0005658500000000, 0.0000634100000000 ] - [ 0.0017393200000000, 0.0011747200000000, 0.0007268600000000 ] - [ -0.0015088500000000, -0.0012904500000000, 0.0005526300000000 ] - [ -0.0024831200000000, -0.0012134900000000, 0.0011822100000000 ] - [ 0.0026805200000000, 0.0017448200000000, -0.0012345800000000 ] - [ -0.0041135200000000, 0.0015576300000000, 0.0004342800000000 ] - [ 0.0108636600000000, -0.0049257100000000, -0.0008379800000000 ] - [ -0.0013482100000000, -0.0003439100000000, -0.0007155200000000 ] - [ -0.0045469500000000, 0.0045007500000000, 0.0023852200000000 ] - [ 0.0012137300000000, -0.0001325600000000, -0.0002612800000000 ] - [ -0.0018979600000000, 0.0008572300000000, 0.0013659300000000 ] - [ -0.0042559900000000, -0.0039513500000000, 0.0020817000000000 ] - [ -0.0010910500000000, 0.0008654200000000, -0.0009949300000000 ] - [ 0.0110972900000000, 0.0054789500000000, -0.0011628100000000 ] - [ -0.0038597000000000, -0.0010253300000000, 0.0001277900000000 ] - [ -0.0015954800000000, -0.0003369600000000, 0.0010578600000000 ] - [ 0.0015233700000000, 0.0006584900000000, -0.0005703400000000 ] - [ 0.0496712200000000, -0.0012668400000000, 0.0051447100000000 ] - [ 0.0491191300000000, 0.0011585400000000, 0.0051572400000000 ] - [ -0.0072707500000000, 0.0019781600000000, 0.0007133200000000 ] - [ 0.0039162300000000, -0.0009855700000000, -0.0019479000000000 ] - [ 0.0039168500000000, 0.0010120500000000, -0.0019562700000000 ] - [ -0.0072725900000000, -0.0018737700000000, 0.0008300300000000 ] - [ -0.0029971700000000, -0.0208480900000000, -0.0206397600000000 ] - [ 0.0053784800000000, 0.0008276100000000, 0.0015427100000000 ] - [ -0.0029776300000000, 0.0207908300000000, -0.0206442300000000 ] - [ 0.0053723800000000, -0.0008637200000000, 0.0015555700000000 ] - [ 0.0021487800000000, -0.0000149500000000, -0.0037025100000000 ] - [ -0.0019538100000000, -0.0000135500000000, 0.0028807700000000 ] - [ -0.0091386800000000, 0.0000319500000000, 0.0031394200000000 ] - [ 0.0049225700000000, 0.0000125800000000, 0.0002094200000000 ] - [ 0.0009987100000000, -0.0008181800000000, -0.0036979500000000 ] - [ -0.0000164900000000, -0.0005469200000000, 0.0018278500000000 ] - [ 0.0009911900000000, 0.0008484900000000, -0.0036954500000000 ] - [ -0.0000149500000000, 0.0005846100000000, 0.0018206000000000 ] - [ 0.0075742600000000, 0.0014271000000000, -0.0018812000000000 ] - [ -0.0053869800000000, -0.0110911300000000, 0.0171425400000000 ] - [ -0.0054770600000000, 0.0110752800000000, 0.0172526200000000 ] - [ 0.0075697100000000, -0.0014350000000000, -0.0018708700000000 ] - [ -0.0002527100000000, -0.0021377700000000, -0.0021614700000000 ] - [ -0.0002591500000000, 0.0021095200000000, -0.0021520300000000 ] - [ -0.3820919100000000, 0.0059409500000000, 0.0311297300000000 ] - [ 0.0136870900000000, 0.0002556900000000, -0.0024760400000000 ] - [ 0.0062544600000000, 0.0010132700000000, -0.0111769000000000 ] - [ -0.0009393500000000, -0.0006315600000000, 0.0067287300000000 ] - [ 0.0062349400000000, -0.0005373100000000, -0.0112249000000000 ] - [ -0.0009045800000000, 0.0011085600000000, 0.0066632800000000 ] - [ 0.0099374600000000, -0.0042248600000000, -0.0031924200000000 ] - [ -0.0066321500000000, 0.0119065800000000, 0.0162824300000000 ] - [ -0.0066774200000000, -0.0123933400000000, 0.0162449600000000 ] - [ 0.0099420800000000, 0.0037164900000000, -0.0031899000000000 ] - [ -0.0000146200000000, 0.0001327700000000, -0.0022192500000000 ] - [ -0.0000333600000000, -0.0006306100000000, -0.0022059600000000 ] - [ 0.0045249600000000, 0.0005287700000000, 0.0008663700000000 ] - [ 0.0045333300000000, -0.0000005800000000, 0.0008685100000000 ] - [ -0.0057575700000000, -0.0008555100000000, 0.0007297600000000 ] - [ 0.0040688200000000, 0.0004487500000000, -0.0022336500000000 ] - [ 0.0040744100000000, 0.0000421800000000, -0.0022511300000000 ] - [ -0.0057471600000000, 0.0013626600000000, 0.0007222900000000 ] - [ -0.0075158600000000, 0.0203972900000000, -0.0410186900000000 ] - [ 0.0066544400000000, -0.0027452000000000, 0.0021449200000000 ] - [ -0.0073050000000000, -0.0208694400000000, -0.0407921500000000 ] - [ 0.0066724500000000, 0.0022765700000000, 0.0021568100000000 ] - [ 0.0051934200000000, -0.0002484600000000, -0.0054166000000000 ] - [ -0.0035538600000000, -0.0002571200000000, 0.0028493200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001300200000000, 0.0012463900000000, -0.0009441800000000 ] - [ -0.0054363400000000, 0.0534974800000000, -0.0502809900000000 ] - [ -0.0029896100000000, 0.0034908700000000, -0.0013267400000000 ] - [ 0.0042324800000000, 0.0060556200000000, -0.0033395900000000 ] - [ 0.0001622100000000, 0.0007795900000000, -0.0012839900000000 ] - [ -0.0007717000000000, 0.0008426900000000, 0.0005565900000000 ] - [ -0.0042324800000000, 0.0060556200000000, 0.0033395900000000 ] - [ 0.0029896100000000, 0.0034908700000000, 0.0013267400000000 ] - [ 0.0054363400000000, 0.0534974800000000, 0.0502809900000000 ] - [ 0.0001300200000000, 0.0012463900000000, 0.0009441800000000 ] - [ 0.0007717000000000, 0.0008426900000000, -0.0005565900000000 ] - [ -0.0001622100000000, 0.0007795900000000, 0.0012839900000000 ] - [ 0.0000844300000000, -0.0013907700000000, 0.0004597300000000 ] - [ -0.0024338800000000, -0.0091074500000000, 0.0006886200000000 ] - [ 0.0005827200000000, -0.0037596600000000, 0.0048064200000000 ] - [ -0.0000933300000000, -0.0010128900000000, 0.0014743600000000 ] - [ -0.0003665400000000, -0.0007519500000000, -0.0001763200000000 ] - [ -0.0000984400000000, -0.0020570500000000, -0.0038370200000000 ] - [ 0.0024338800000000, -0.0091074500000000, -0.0006886200000000 ] - [ -0.0000844300000000, -0.0013907700000000, -0.0004597300000000 ] - [ 0.0000984400000000, -0.0020570500000000, 0.0038370200000000 ] - [ 0.0003665400000000, -0.0007519500000000, 0.0001763200000000 ] - [ 0.0000933300000000, -0.0010128900000000, -0.0014743600000000 ] - [ -0.0005827200000000, -0.0037596600000000, -0.0048064200000000 ] - [ -0.0920419400000000, 0.1053009200000000, 0.0213452800000000 ] - [ -0.0019492900000000, 0.0004793300000000, 0.0000473700000000 ] - [ -0.0019639100000000, 0.0050732800000000, 0.0044193500000000 ] - [ -0.0003396700000000, 0.0014929100000000, 0.0008529100000000 ] - [ -0.0006552300000000, 0.0012243000000000, -0.0001467500000000 ] - [ -0.0005171100000000, 0.0026448700000000, -0.0009932300000000 ] - [ 0.0019492900000000, 0.0004793300000000, -0.0000473700000000 ] - [ 0.0920419400000000, 0.1053009200000000, -0.0213452800000000 ] - [ 0.0005171100000000, 0.0026448700000000, 0.0009932300000000 ] - [ 0.0006552300000000, 0.0012243000000000, 0.0001467500000000 ] - [ 0.0003396700000000, 0.0014929100000000, -0.0008529100000000 ] - [ 0.0019639100000000, 0.0050732800000000, -0.0044193500000000 ] - [ 0.0070128900000000, -0.0017396200000000, -0.0024600300000000 ] - [ -0.0065440200000000, -0.0011354700000000, -0.0037126600000000 ] - [ 0.0064847700000000, -0.0075448400000000, 0.0133840500000000 ] - [ -0.0007011100000000, 0.0010595500000000, 0.0008768500000000 ] - [ -0.0006556700000000, 0.0007143300000000, 0.0003737200000000 ] - [ -0.0003218400000000, 0.0022822500000000, 0.0005417700000000 ] - [ 0.0007011100000000, 0.0010595500000000, -0.0008768500000000 ] - [ -0.0064847700000000, -0.0075448400000000, -0.0133840500000000 ] - [ 0.0065440200000000, -0.0011354700000000, 0.0037126600000000 ] - [ -0.0070128900000000, -0.0017396200000000, 0.0024600300000000 ] - [ 0.0003218400000000, 0.0022822500000000, -0.0005417700000000 ] - [ 0.0006556700000000, 0.0007143300000000, -0.0003737200000000 ] - [ 0.0017266300000000, -0.0031267900000000, 0.0000836200000000 ] - [ -0.0019412100000000, -0.0029684700000000, 0.0006996200000000 ] - [ -0.0004645800000000, -0.0057430100000000, 0.0017789500000000 ] - [ -0.0002521800000000, -0.0011155400000000, 0.0005822000000000 ] - [ -0.0001857300000000, -0.0003828500000000, -0.0002005500000000 ] - [ 0.0005560400000000, -0.0004951800000000, -0.0001948800000000 ] - [ 0.0002521800000000, -0.0011155400000000, -0.0005822000000000 ] - [ 0.0004645800000000, -0.0057430100000000, -0.0017789500000000 ] - [ 0.0019412100000000, -0.0029684700000000, -0.0006996200000000 ] - [ -0.0017266300000000, -0.0031267900000000, -0.0000836200000000 ] - [ -0.0005560400000000, -0.0004951800000000, 0.0001948800000000 ] - [ 0.0001857300000000, -0.0003828500000000, 0.0002005500000000 ] - [ -0.0148677400000000, 0.0045401000000000, 0.0111358500000000 ] - [ 0.0003901100000000, 0.0023904500000000, -0.0001633400000000 ] - [ 0.0018253700000000, 0.0029644100000000, -0.0081190500000000 ] - [ -0.0002674500000000, 0.0002138900000000, 0.0003155600000000 ] - [ -0.0001496900000000, 0.0002728700000000, 0.0002641200000000 ] - [ 0.0015237000000000, 0.0004966200000000, 0.0032741700000000 ] - [ -0.0003901100000000, 0.0023904500000000, 0.0001633400000000 ] - [ 0.0148677400000000, 0.0045401000000000, -0.0111358500000000 ] - [ -0.0015237000000000, 0.0004966200000000, -0.0032741700000000 ] - [ 0.0001496900000000, 0.0002728700000000, -0.0002641200000000 ] - [ 0.0002674500000000, 0.0002138900000000, -0.0003155600000000 ] - [ -0.0018253700000000, 0.0029644100000000, 0.0081190500000000 ] - [ 0.0004293700000000, -0.0023692500000000, -0.0011447100000000 ] - [ 0.0034277100000000, -0.0080887800000000, -0.0008416100000000 ] - [ 0.0007414500000000, -0.0047248300000000, -0.0025901100000000 ] - [ 0.0012626800000000, -0.0014850800000000, -0.0005803300000000 ] - [ 0.0004934000000000, -0.0014531200000000, -0.0006283400000000 ] - [ 0.0013707100000000, -0.0030929000000000, 0.0006611300000000 ] - [ -0.0034277100000000, -0.0080887800000000, 0.0008416100000000 ] - [ -0.0004293700000000, -0.0023692500000000, 0.0011447100000000 ] - [ -0.0013707100000000, -0.0030929000000000, -0.0006611300000000 ] - [ -0.0004934000000000, -0.0014531200000000, 0.0006283400000000 ] - [ -0.0012626800000000, -0.0014850800000000, 0.0005803300000000 ] - [ -0.0007414500000000, -0.0047248300000000, 0.0025901100000000 ] - [ -0.0000102300000000, -0.0002805500000000, -0.0002180000000000 ] - [ 0.0010401200000000, -0.0069842800000000, 0.0024353100000000 ] - [ -0.0031357900000000, -0.0005792500000000, -0.0003460100000000 ] - [ 0.0078865200000000, -0.0056716100000000, -0.0029069000000000 ] - [ 0.0004687100000000, -0.0008127200000000, -0.0002087800000000 ] - [ -0.0004651500000000, -0.0001270400000000, 0.0004650500000000 ] - [ -0.0078865200000000, -0.0056716100000000, 0.0029069000000000 ] - [ 0.0031357900000000, -0.0005792500000000, 0.0003460100000000 ] - [ -0.0010401200000000, -0.0069842800000000, -0.0024353100000000 ] - [ 0.0000102300000000, -0.0002805500000000, 0.0002180000000000 ] - [ 0.0004651500000000, -0.0001270400000000, -0.0004650500000000 ] - [ -0.0004687100000000, -0.0008127200000000, 0.0002087800000000 ] - [ -0.0160356100000000, -0.0219315400000000, -0.0019621200000000 ] - [ 0.0160356100000000, -0.0219315400000000, 0.0019621200000000 ] - [ 0.0005557600000000, -0.0134167700000000, 0.0022484200000000 ] - [ -0.0002355800000000, -0.0014873100000000, -0.0008019400000000 ] - [ 0.0002355800000000, -0.0014873100000000, 0.0008019400000000 ] - [ -0.0005557600000000, -0.0134167700000000, -0.0022484200000000 ] - [ -0.0098313300000000, 0.0185789400000000, 0.0190305400000000 ] - [ 0.0027797100000000, 0.0006124200000000, 0.0011797100000000 ] - [ 0.0098313300000000, 0.0185789400000000, -0.0190305400000000 ] - [ -0.0027797100000000, 0.0006124200000000, -0.0011797100000000 ] - [ 0.0000000000000000, -0.0005533800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018065100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0136588400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016593500000000, 0.0000000000000000 ] - [ -0.0003157700000000, 0.0042409400000000, 0.0013522100000000 ] - [ -0.0003644000000000, 0.0031825800000000, -0.0004190500000000 ] - [ 0.0003157700000000, 0.0042409400000000, -0.0013522100000000 ] - [ 0.0003644000000000, 0.0031825800000000, 0.0004190500000000 ] - [ 0.0041866400000000, -0.0003726400000000, 0.0002370100000000 ] - [ -0.0125177400000000, 0.0134165100000000, -0.0153411000000000 ] - [ 0.0125177400000000, 0.0134165100000000, 0.0153411000000000 ] - [ -0.0041866400000000, -0.0003726400000000, -0.0002370100000000 ] - [ -0.0002944900000000, 0.0014704500000000, 0.0025899200000000 ] - [ 0.0002944900000000, 0.0014704500000000, -0.0025899200000000 ] - [ 0.0000000000000000, -0.3561047100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0038824600000000, 0.0000000000000000 ] - [ -0.0007726000000000, -0.0070782200000000, 0.0009330600000000 ] - [ 0.0008605500000000, -0.0047944600000000, -0.0007519600000000 ] - [ 0.0007726000000000, -0.0070782200000000, -0.0009330600000000 ] - [ -0.0008605500000000, -0.0047944600000000, 0.0007519600000000 ] - [ -0.0039775500000000, 0.0026570600000000, 0.0018436800000000 ] - [ 0.0120820400000000, 0.0192909700000000, 0.0103304100000000 ] - [ -0.0120820400000000, 0.0192909700000000, -0.0103304100000000 ] - [ 0.0039775500000000, 0.0026570600000000, -0.0018436800000000 ] - [ 0.0003800900000000, -0.0010839100000000, -0.0015640100000000 ] - [ -0.0003800900000000, -0.0010839100000000, 0.0015640100000000 ] - [ -0.0002455800000000, 0.0103474600000000, 0.0013441000000000 ] - [ 0.0002455800000000, 0.0103474600000000, -0.0013441000000000 ] - [ 0.0011014400000000, 0.0087506900000000, -0.0011008500000000 ] - [ -0.0002016700000000, 0.0026599700000000, -0.0007844100000000 ] - [ 0.0002016700000000, 0.0026599700000000, 0.0007844100000000 ] - [ -0.0011014400000000, 0.0087506900000000, 0.0011008500000000 ] - [ 0.0206918800000000, 0.0198208700000000, -0.0382027000000000 ] - [ -0.0025176400000000, -0.0008787300000000, 0.0007334800000000 ] - [ -0.0206918800000000, 0.0198208700000000, 0.0382027000000000 ] - [ 0.0025176400000000, -0.0008787300000000, -0.0007334800000000 ] - [ 0.0000000000000000, -0.0002794100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012142000000000, 0.0000000000000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001413900000000, -0.0008737000000000, 0.0006910700000000 ] - [ 0.0053236800000000, -0.0528689600000000, 0.0484414300000000 ] - [ 0.0030537300000000, -0.0031085700000000, 0.0010587800000000 ] - [ -0.0041473400000000, -0.0056578800000000, 0.0030597600000000 ] - [ -0.0001103000000000, -0.0003987300000000, 0.0010703700000000 ] - [ 0.0008259700000000, -0.0004597300000000, -0.0007835700000000 ] - [ 0.0041473400000000, -0.0056578800000000, -0.0030597600000000 ] - [ -0.0030537300000000, -0.0031085700000000, -0.0010587800000000 ] - [ -0.0053236800000000, -0.0528689600000000, -0.0484414300000000 ] - [ -0.0001413900000000, -0.0008737000000000, -0.0006910700000000 ] - [ -0.0008259700000000, -0.0004597300000000, 0.0007835700000000 ] - [ 0.0001103000000000, -0.0003987300000000, -0.0010703700000000 ] - [ -0.0001462900000000, 0.0010029800000000, -0.0002351400000000 ] - [ 0.0023767300000000, 0.0086873500000000, -0.0004856300000000 ] - [ -0.0006577000000000, 0.0034018200000000, -0.0045530500000000 ] - [ 0.0000304500000000, 0.0006401800000000, -0.0012035000000000 ] - [ 0.0003585000000000, 0.0003826600000000, 0.0004199100000000 ] - [ 0.0000784000000000, 0.0016798100000000, 0.0040767500000000 ] - [ -0.0023767300000000, 0.0086873500000000, 0.0004856300000000 ] - [ 0.0001462900000000, 0.0010029800000000, 0.0002351400000000 ] - [ -0.0000784000000000, 0.0016798100000000, -0.0040767500000000 ] - [ -0.0003585000000000, 0.0003826600000000, -0.0004199100000000 ] - [ -0.0000304500000000, 0.0006401800000000, 0.0012035000000000 ] - [ 0.0006577000000000, 0.0034018200000000, 0.0045530500000000 ] - [ 0.0970599000000000, -0.1089352000000000, -0.0228326000000000 ] - [ 0.0022506100000000, -0.0010145200000000, -0.0003618800000000 ] - [ 0.0022230900000000, -0.0056091700000000, -0.0046930700000000 ] - [ 0.0006149400000000, -0.0020284600000000, -0.0011395600000000 ] - [ 0.0009225000000000, -0.0017683400000000, -0.0001660300000000 ] - [ 0.0007826200000000, -0.0032063000000000, 0.0006830400000000 ] - [ -0.0022506100000000, -0.0010145200000000, 0.0003618800000000 ] - [ -0.0970599000000000, -0.1089352000000000, 0.0228326000000000 ] - [ -0.0007826200000000, -0.0032063000000000, -0.0006830400000000 ] - [ -0.0009225000000000, -0.0017683400000000, 0.0001660300000000 ] - [ -0.0006149400000000, -0.0020284600000000, 0.0011395600000000 ] - [ -0.0022230900000000, -0.0056091700000000, 0.0046930700000000 ] - [ -0.0072584500000000, 0.0022665100000000, 0.0027621500000000 ] - [ 0.0062910400000000, 0.0016479100000000, 0.0039971900000000 ] - [ -0.0068337700000000, 0.0081837400000000, -0.0132449200000000 ] - [ 0.0004256100000000, -0.0005269300000000, -0.0005875200000000 ] - [ 0.0003426500000000, -0.0001918500000000, -0.0000612000000000 ] - [ 0.0000090600000000, -0.0017777700000000, -0.0002381200000000 ] - [ -0.0004256100000000, -0.0005269300000000, 0.0005875200000000 ] - [ 0.0068337700000000, 0.0081837400000000, 0.0132449200000000 ] - [ -0.0062910400000000, 0.0016479100000000, -0.0039971900000000 ] - [ 0.0072584500000000, 0.0022665100000000, -0.0027621500000000 ] - [ -0.0000090600000000, -0.0017777700000000, 0.0002381200000000 ] - [ -0.0003426500000000, -0.0001918500000000, 0.0000612000000000 ] - [ -0.0017181200000000, 0.0034816300000000, -0.0003182400000000 ] - [ 0.0019664700000000, 0.0033364500000000, -0.0009412400000000 ] - [ 0.0005339700000000, 0.0061082900000000, -0.0020528100000000 ] - [ 0.0003150600000000, 0.0014764900000000, -0.0008443200000000 ] - [ 0.0002407100000000, 0.0007587600000000, -0.0000224800000000 ] - [ -0.0005058200000000, 0.0008706200000000, -0.0000188600000000 ] - [ -0.0003150600000000, 0.0014764900000000, 0.0008443200000000 ] - [ -0.0005339700000000, 0.0061082900000000, 0.0020528100000000 ] - [ -0.0019664700000000, 0.0033364500000000, 0.0009412400000000 ] - [ 0.0017181200000000, 0.0034816300000000, 0.0003182400000000 ] - [ 0.0005058200000000, 0.0008706200000000, 0.0000188600000000 ] - [ -0.0002407100000000, 0.0007587600000000, 0.0000224800000000 ] - [ 0.0150789500000000, -0.0047455700000000, -0.0108662500000000 ] - [ -0.0004539800000000, -0.0027513000000000, 0.0003828900000000 ] - [ -0.0019373400000000, -0.0032846700000000, 0.0083799000000000 ] - [ 0.0002050000000000, -0.0005802900000000, -0.0000471700000000 ] - [ 0.0001379400000000, -0.0006354400000000, -0.0000217100000000 ] - [ -0.0015615800000000, -0.0008467900000000, -0.0030577300000000 ] - [ 0.0004539800000000, -0.0027513000000000, -0.0003828900000000 ] - [ -0.0150789500000000, -0.0047455700000000, 0.0108662500000000 ] - [ 0.0015615800000000, -0.0008467900000000, 0.0030577300000000 ] - [ -0.0001379400000000, -0.0006354400000000, 0.0000217100000000 ] - [ -0.0002050000000000, -0.0005802900000000, 0.0000471700000000 ] - [ 0.0019373400000000, -0.0032846700000000, -0.0083799000000000 ] - [ -0.0001233800000000, 0.0018426800000000, 0.0008302700000000 ] - [ -0.0030821000000000, 0.0075124600000000, 0.0005357100000000 ] - [ -0.0004752800000000, 0.0041864900000000, 0.0022900000000000 ] - [ -0.0009804000000000, 0.0009466900000000, 0.0002910100000000 ] - [ -0.0002258700000000, 0.0009097600000000, 0.0003155600000000 ] - [ -0.0011055000000000, 0.0025452600000000, -0.0009607100000000 ] - [ 0.0030821000000000, 0.0075124600000000, -0.0005357100000000 ] - [ 0.0001233800000000, 0.0018426800000000, -0.0008302700000000 ] - [ 0.0011055000000000, 0.0025452600000000, 0.0009607100000000 ] - [ 0.0002258700000000, 0.0009097600000000, -0.0003155600000000 ] - [ 0.0009804000000000, 0.0009466900000000, -0.0002910100000000 ] - [ 0.0004752800000000, 0.0041864900000000, -0.0022900000000000 ] - [ -0.0002605900000000, 0.0008297400000000, 0.0005305800000000 ] - [ -0.0013352700000000, 0.0075255600000000, -0.0020706000000000 ] - [ 0.0028493800000000, 0.0011227100000000, 0.0006319500000000 ] - [ -0.0081511400000000, 0.0062187200000000, 0.0031919200000000 ] - [ -0.0007862900000000, 0.0013486000000000, 0.0005204800000000 ] - [ 0.0001477500000000, 0.0006586400000000, -0.0001490500000000 ] - [ 0.0081511400000000, 0.0062187200000000, -0.0031919200000000 ] - [ -0.0028493800000000, 0.0011227100000000, -0.0006319500000000 ] - [ 0.0013352700000000, 0.0075255600000000, 0.0020706000000000 ] - [ 0.0002605900000000, 0.0008297400000000, -0.0005305800000000 ] - [ -0.0001477500000000, 0.0006586400000000, 0.0001490500000000 ] - [ 0.0007862900000000, 0.0013486000000000, -0.0005204800000000 ] - [ 0.0159279100000000, 0.0218857200000000, 0.0019454800000000 ] - [ -0.0159279100000000, 0.0218857200000000, -0.0019454800000000 ] - [ -0.0005575200000000, 0.0135393400000000, -0.0023334000000000 ] - [ 0.0002357000000000, 0.0015051600000000, 0.0007999000000000 ] - [ -0.0002357000000000, 0.0015051600000000, -0.0007999000000000 ] - [ 0.0005575200000000, 0.0135393400000000, 0.0023334000000000 ] - [ 0.0099138400000000, -0.0185612400000000, -0.0190044300000000 ] - [ -0.0027822800000000, -0.0006194400000000, -0.0011786700000000 ] - [ -0.0099138400000000, -0.0185612400000000, 0.0190044300000000 ] - [ 0.0027822800000000, -0.0006194400000000, 0.0011786700000000 ] - [ 0.0000000000000000, 0.0005388400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018069900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0135802700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016425600000000, 0.0000000000000000 ] - [ 0.0003083300000000, -0.0042136900000000, -0.0013440400000000 ] - [ 0.0003767500000000, -0.0031711800000000, 0.0004239500000000 ] - [ -0.0003083300000000, -0.0042136900000000, 0.0013440400000000 ] - [ -0.0003767500000000, -0.0031711800000000, -0.0004239500000000 ] - [ -0.0041704900000000, 0.0003470300000000, -0.0002382500000000 ] - [ 0.0124506500000000, -0.0134412200000000, 0.0151697400000000 ] - [ -0.0124506500000000, -0.0134412200000000, -0.0151697400000000 ] - [ 0.0041704900000000, 0.0003470300000000, 0.0002382500000000 ] - [ 0.0002960700000000, -0.0014955000000000, -0.0025849800000000 ] - [ -0.0002960700000000, -0.0014955000000000, 0.0025849800000000 ] - [ 0.0000000000000000, 0.3618026200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0043777500000000, 0.0000000000000000 ] - [ 0.0007844300000000, 0.0075588800000000, -0.0009309400000000 ] - [ -0.0008764200000000, 0.0052996300000000, 0.0007572700000000 ] - [ -0.0007844300000000, 0.0075588800000000, 0.0009309400000000 ] - [ 0.0008764200000000, 0.0052996300000000, -0.0007572700000000 ] - [ 0.0039606600000000, -0.0031313000000000, -0.0018387800000000 ] - [ -0.0122173000000000, -0.0198409800000000, -0.0102663000000000 ] - [ 0.0122173000000000, -0.0198409800000000, 0.0102663000000000 ] - [ -0.0039606600000000, -0.0031313000000000, 0.0018387800000000 ] - [ -0.0003831900000000, 0.0005880700000000, 0.0015636000000000 ] - [ 0.0003831900000000, 0.0005880700000000, -0.0015636000000000 ] - [ 0.0002789900000000, -0.0098080400000000, -0.0013572800000000 ] - [ -0.0002789900000000, -0.0098080400000000, 0.0013572800000000 ] - [ -0.0011172100000000, -0.0082440200000000, 0.0011348400000000 ] - [ 0.0002005900000000, -0.0021620500000000, 0.0007890500000000 ] - [ -0.0002005900000000, -0.0021620500000000, -0.0007890500000000 ] - [ 0.0011172100000000, -0.0082440200000000, -0.0011348400000000 ] - [ -0.0205676900000000, -0.0203639600000000, 0.0378311400000000 ] - [ 0.0025038900000000, 0.0003652300000000, -0.0007242700000000 ] - [ 0.0205676900000000, -0.0203639600000000, -0.0378311400000000 ] - [ -0.0025038900000000, 0.0003652300000000, 0.0007242700000000 ] - [ 0.0000000000000000, -0.0002366900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017442900000000, 0.0000000000000000 ]- atom: 121 displacement: [ -0.0065057964755441, 0.0000000000000000, 0.0075943803051203 ] forces: - [ 0.0022476700000000, -0.0001626700000000, 0.0002204200000000 ] - [ -0.0091842800000000, -0.0230823300000000, 0.0775077600000000 ] - [ -0.0006330300000000, 0.0013709800000000, 0.0059470700000000 ] - [ 0.0062083600000000, 0.0006133500000000, -0.0067297100000000 ] - [ -0.0019643800000000, -0.0009697200000000, -0.0046284100000000 ] - [ 0.0023357800000000, 0.0018036500000000, -0.0057197800000000 ] - [ 0.0061175600000000, -0.0002414200000000, -0.0064481200000000 ] - [ -0.0007021400000000, -0.0009993400000000, 0.0062233100000000 ] - [ -0.0085625600000000, 0.0249622900000000, 0.0813540500000000 ] - [ 0.0022388800000000, 0.0005315600000000, 0.0004695800000000 ] - [ 0.0022829800000000, -0.0014242800000000, -0.0055043200000000 ] - [ -0.0020137400000000, 0.0013497600000000, -0.0044036900000000 ] - [ 0.0013599800000000, -0.0007506300000000, 0.0016096300000000 ] - [ 0.0001760000000000, 0.0045625100000000, 0.0062918000000000 ] - [ -0.0020567100000000, -0.0002155700000000, -0.0003246500000000 ] - [ 0.0013380700000000, 0.0004777200000000, -0.0020178400000000 ] - [ 0.0004998300000000, 0.0008346900000000, -0.0012791900000000 ] - [ -0.0006724800000000, -0.0016425700000000, -0.0041889800000000 ] - [ 0.0002448100000000, -0.0049839300000000, 0.0060744100000000 ] - [ 0.0014150600000000, 0.0003700300000000, 0.0013882000000000 ] - [ -0.0006583800000000, 0.0012724800000000, -0.0044200900000000 ] - [ 0.0005123200000000, -0.0012020600000000, -0.0015224200000000 ] - [ 0.0014024500000000, -0.0008459800000000, -0.0022906500000000 ] - [ -0.0019868500000000, -0.0001535200000000, -0.0006014400000000 ] - [ -0.0990453800000000, 0.0769458600000000, 0.0358422400000000 ] - [ 0.0079824900000000, -0.0003617800000000, 0.0004825700000000 ] - [ 0.0046150300000000, -0.0001814700000000, -0.0054875600000000 ] - [ 0.0003677100000000, 0.0002321100000000, -0.0000051800000000 ] - [ 0.0053850100000000, -0.0028719300000000, -0.0026487200000000 ] - [ -0.0055330100000000, -0.0000584700000000, -0.0009265800000000 ] - [ 0.0076719000000000, -0.0001607500000000, 0.0007907800000000 ] - [ -0.1028977200000000, -0.0811151600000000, 0.0365308000000000 ] - [ -0.0057956800000000, -0.0004830300000000, -0.0006175500000000 ] - [ 0.0051330600000000, 0.0023398300000000, -0.0023404500000000 ] - [ 0.0000943800000000, -0.0007605300000000, 0.0002780900000000 ] - [ 0.0043477400000000, -0.0003334400000000, -0.0051986500000000 ] - [ 0.0085361000000000, -0.0051713400000000, -0.0028328400000000 ] - [ -0.0009209600000000, 0.0068619700000000, 0.0074497900000000 ] - [ -0.0164473300000000, 0.0142452800000000, 0.0009731700000000 ] - [ 0.0034471800000000, -0.0009206900000000, -0.0003699100000000 ] - [ 0.0016677400000000, 0.0002162100000000, -0.0017649000000000 ] - [ -0.0007347700000000, -0.0027878300000000, -0.0029668500000000 ] - [ 0.0037158600000000, 0.0014527200000000, -0.0006575100000000 ] - [ -0.0160795800000000, -0.0135951800000000, 0.0006918400000000 ] - [ -0.0006398100000000, -0.0063359500000000, 0.0071595800000000 ] - [ 0.0087951300000000, 0.0057210600000000, -0.0031421100000000 ] - [ -0.0004290400000000, 0.0033020200000000, -0.0032748600000000 ] - [ 0.0019823900000000, 0.0003099800000000, -0.0020742500000000 ] - [ 0.0017075700000000, -0.0007607700000000, 0.0009221100000000 ] - [ -0.0007139300000000, -0.0008160500000000, 0.0021189600000000 ] - [ -0.0027273200000000, 0.0010819100000000, 0.0011978600000000 ] - [ 0.0020756700000000, 0.0010733400000000, -0.0005317900000000 ] - [ 0.0011359400000000, 0.0005826900000000, -0.0027165000000000 ] - [ -0.0010358700000000, 0.0002982300000000, -0.0015344700000000 ] - [ 0.0020098000000000, -0.0007081700000000, -0.0002655200000000 ] - [ -0.0027932400000000, -0.0007153100000000, 0.0014623600000000 ] - [ -0.0007269900000000, 0.0011813200000000, 0.0023636100000000 ] - [ 0.0016910000000000, 0.0011209800000000, 0.0011668300000000 ] - [ -0.0010912400000000, 0.0000813300000000, -0.0013130800000000 ] - [ 0.0010831900000000, -0.0002047900000000, -0.0024923000000000 ] - [ 0.0073936500000000, 0.0190927200000000, 0.0081913800000000 ] - [ 0.0049149500000000, -0.0019476500000000, 0.0030664400000000 ] - [ 0.0038073700000000, 0.0003763600000000, -0.0106735100000000 ] - [ 0.0003763100000000, -0.0007367800000000, -0.0006747200000000 ] - [ 0.0033155400000000, 0.0014539000000000, -0.0039407300000000 ] - [ -0.0055416800000000, 0.0023607800000000, -0.0055482300000000 ] - [ 0.0049676700000000, 0.0015702100000000, 0.0028373200000000 ] - [ 0.0072640100000000, -0.0194816900000000, 0.0080466900000000 ] - [ -0.0055164800000000, -0.0027257400000000, -0.0057749000000000 ] - [ 0.0033321700000000, -0.0018228700000000, -0.0041884300000000 ] - [ 0.0004367800000000, 0.0003684900000000, -0.0009471800000000 ] - [ 0.0038684500000000, -0.0007385600000000, -0.0109161000000000 ] - [ 0.0023440400000000, 0.0001316300000000, 0.0009292800000000 ] - [ -0.0009562400000000, -0.0027018900000000, 0.0037159600000000 ] - [ -0.0025401900000000, 0.0003613700000000, -0.0004082200000000 ] - [ 0.0032754500000000, -0.0015757500000000, -0.0015421400000000 ] - [ 0.0011574800000000, -0.0014835700000000, -0.0012821200000000 ] - [ -0.0011672900000000, 0.0013848900000000, -0.0016740600000000 ] - [ -0.0012730500000000, 0.0021594800000000, 0.0040195000000000 ] - [ 0.0020310600000000, -0.0006612700000000, 0.0012451200000000 ] - [ -0.0014341300000000, -0.0019328700000000, -0.0013682400000000 ] - [ 0.0008997300000000, 0.0009431400000000, -0.0009696800000000 ] - [ 0.0030012200000000, 0.0010407300000000, -0.0012558300000000 ] - [ -0.0028054500000000, -0.0008923700000000, -0.0001201900000000 ] - [ 0.0027371900000000, -0.0002399600000000, 0.0004061100000000 ] - [ -0.0074633900000000, 0.0130584600000000, 0.0032610900000000 ] - [ -0.0026116400000000, 0.0004048100000000, 0.0006283500000000 ] - [ 0.0103296500000000, -0.0083868600000000, -0.0040075600000000 ] - [ -0.0019956600000000, 0.0005615500000000, -0.0005334000000000 ] - [ 0.0025438300000000, -0.0005516500000000, -0.0017048300000000 ] - [ 0.0106028900000000, 0.0089171300000000, -0.0042935800000000 ] - [ -0.0023495300000000, 0.0001261900000000, 0.0003427700000000 ] - [ -0.0072232600000000, -0.0125348600000000, 0.0029422100000000 ] - [ 0.0030036300000000, 0.0007805100000000, 0.0000967100000000 ] - [ 0.0028529000000000, 0.0010719100000000, -0.0020178400000000 ] - [ -0.0016812600000000, -0.0000369500000000, -0.0008423200000000 ] - [ -0.0367315200000000, 0.0012343800000000, -0.0111431200000000 ] - [ -0.0368486100000000, -0.0012981900000000, -0.0112231200000000 ] - [ 0.0072582700000000, -0.0095342600000000, 0.0251695800000000 ] - [ -0.0036923400000000, 0.0010437700000000, 0.0029043500000000 ] - [ -0.0036862400000000, -0.0010165500000000, 0.0029096300000000 ] - [ 0.0072064200000000, 0.0095877700000000, 0.0250962900000000 ] - [ -0.0034436900000000, 0.0219459700000000, 0.0143201400000000 ] - [ -0.0029285800000000, -0.0001222200000000, -0.0012672300000000 ] - [ -0.0034626100000000, -0.0219983000000000, 0.0142666400000000 ] - [ -0.0029395700000000, 0.0000958100000000, -0.0012643900000000 ] - [ -0.0030160100000000, -0.0000170100000000, 0.0044595600000000 ] - [ 0.0039389700000000, -0.0000143700000000, 0.0022308500000000 ] - [ 0.0069163100000000, 0.0000311500000000, -0.0095076500000000 ] - [ -0.0039111100000000, 0.0000107000000000, -0.0010028900000000 ] - [ -0.0020585300000000, 0.0021689300000000, 0.0044960100000000 ] - [ 0.0017628600000000, 0.0007020700000000, 0.0003445400000000 ] - [ -0.0020606800000000, -0.0021313200000000, 0.0044962200000000 ] - [ 0.0017625200000000, -0.0006685400000000, 0.0003449300000000 ] - [ -0.0084987200000000, -0.0009409000000000, 0.0005029300000000 ] - [ 0.0211271100000000, -0.0053471100000000, -0.0140493700000000 ] - [ 0.0211082300000000, 0.0053010000000000, -0.0140160900000000 ] - [ -0.0085174500000000, 0.0009265900000000, 0.0005000200000000 ] - [ 0.0004092700000000, 0.0030045100000000, 0.0057618500000000 ] - [ 0.0004021900000000, -0.0030251800000000, 0.0057516400000000 ] - [ 0.2721230900000000, 0.0020481000000000, -0.3019527000000000 ] - [ -0.0107825100000000, 0.0002498700000000, 0.0006289600000000 ] - [ -0.0125825000000000, -0.0009745800000000, 0.0124566900000000 ] - [ 0.0056775600000000, 0.0013829800000000, -0.0004452800000000 ] - [ -0.0125521700000000, 0.0014544300000000, 0.0124174000000000 ] - [ 0.0056926600000000, -0.0008912300000000, -0.0004477800000000 ] - [ -0.0088983900000000, 0.0037317900000000, 0.0019143300000000 ] - [ 0.0166491900000000, -0.0003136800000000, -0.0169247600000000 ] - [ 0.0166970400000000, -0.0001480700000000, -0.0170366800000000 ] - [ -0.0088876200000000, -0.0042257000000000, 0.0019041800000000 ] - [ -0.0016537800000000, -0.0016909100000000, 0.0049128800000000 ] - [ -0.0016622100000000, 0.0011803000000000, 0.0049137300000000 ] - [ -0.0022910500000000, -0.0009327900000000, -0.0042601600000000 ] - [ -0.0022850400000000, 0.0014593700000000, -0.0042626700000000 ] - [ 0.0042992900000000, 0.0018269900000000, 0.0023379300000000 ] - [ -0.0043570100000000, 0.0007152300000000, 0.0031449000000000 ] - [ -0.0043508100000000, -0.0002201200000000, 0.0031401600000000 ] - [ 0.0042994000000000, -0.0013221200000000, 0.0023289400000000 ] - [ -0.0261886600000000, -0.0423762100000000, 0.0343129900000000 ] - [ -0.0027043400000000, 0.0019409600000000, -0.0030806700000000 ] - [ -0.0262838600000000, 0.0422096900000000, 0.0345646600000000 ] - [ -0.0027040900000000, -0.0024302500000000, -0.0030819700000000 ] - [ -0.0074968100000000, -0.0002492000000000, 0.0073736800000000 ] - [ 0.0044712200000000, -0.0002557000000000, 0.0067388100000000 ]