# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6edf4596-095e-4171-bc1a-fbe781d4163a/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 K2(ReS2)3 / C2/c (15) / materials id 541638](https://mdr.nims.go.jp/datasets/bc29a0bc-625b-4939-a99b-ae2a3b81e27a) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "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:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.233575960000000, -4.855080820000000, -0.003818610000000 ] # a - [ 8.233575960000000, 4.855080820000000, -0.003818610000000 ] # b - [ -0.291543430000000, 0.000000000000000, 11.819950710000001 ] # c points: - symbol: Re # 1 coordinates: [ 0.004458960000000, 0.306848400000000, 0.474000040000000 ] mass: 186.207000 - symbol: Re # 2 coordinates: [ 0.693151600000000, 0.995541040000000, 0.025999960000000 ] mass: 186.207000 - symbol: Re # 3 coordinates: [ 0.995541040000000, 0.693151600000000, 0.525999960000000 ] mass: 186.207000 - symbol: Re # 4 coordinates: [ 0.306848400000000, 0.004458960000000, 0.974000040000000 ] mass: 186.207000 - symbol: Re # 5 coordinates: [ 0.116926860000000, 0.469536420000000, 0.369114400000000 ] mass: 186.207000 - symbol: Re # 6 coordinates: [ 0.530463580000000, 0.883073140000000, 0.130885600000000 ] mass: 186.207000 - symbol: Re # 7 coordinates: [ 0.883073140000000, 0.530463580000000, 0.630885600000000 ] mass: 186.207000 - symbol: Re # 8 coordinates: [ 0.469536420000000, 0.116926860000000, 0.869114400000000 ] mass: 186.207000 - symbol: Re # 9 coordinates: [ 0.810984520000000, 0.603162540000000, 0.415570940000000 ] mass: 186.207000 - symbol: Re # 10 coordinates: [ 0.396837460000000, 0.189015480000000, 0.084429060000000 ] mass: 186.207000 - symbol: Re # 11 coordinates: [ 0.189015480000000, 0.396837460000000, 0.584429060000000 ] mass: 186.207000 - symbol: Re # 12 coordinates: [ 0.603162540000000, 0.810984520000000, 0.915570940000000 ] mass: 186.207000 - symbol: S # 13 coordinates: [ 0.072866390000000, 0.255126090000000, 0.670336010000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.744873910000000, 0.927133610000000, 0.829663990000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.927133610000000, 0.744873910000000, 0.329663990000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.255126090000000, 0.072866390000000, 0.170336010000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.797353270000000, 0.716561350000000, 0.069048870000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.283438650000000, 0.202646730000000, 0.430951130000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.202646730000000, 0.283438650000000, 0.930951130000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.716561350000000, 0.797353270000000, 0.569048870000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.058927320000000, 0.612736780000000, 0.719395260000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.387263220000000, 0.941072680000000, 0.780604740000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.941072680000000, 0.387263220000000, 0.280604740000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.612736780000000, 0.058927320000000, 0.219395260000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.277767550000000, 0.555944030000000, 0.480784650000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.444055970000000, 0.722232450000000, 0.019215350000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.722232450000000, 0.444055970000000, 0.519215350000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.555944030000000, 0.277767550000000, 0.980784650000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.059320950000000, 0.999587570000000, 0.925019160000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.000412430000000, 0.940679050000000, 0.574980840000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.940679050000000, 0.000412430000000, 0.074980840000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.999587570000000, 0.059320950000000, 0.425019160000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.267030790000000, 0.438640510000000, 0.196005300000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.561359490000000, 0.732969210000000, 0.303994700000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.732969210000000, 0.561359490000000, 0.803994700000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.438640510000000, 0.267030790000000, 0.696005300000000 ] mass: 32.065000 - symbol: K # 37 coordinates: [ 0.605738780000000, 0.394261220000000, 0.250000000000000 ] mass: 39.098300 - symbol: K # 38 coordinates: [ 0.394261220000000, 0.605738780000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 39 coordinates: [ 0.213053020000000, 0.786946980000000, 0.250000000000000 ] mass: 39.098300 - symbol: K # 40 coordinates: [ 0.786946980000000, 0.213053020000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 41 coordinates: [ 0.123295980000000, 0.643471780000000, 0.980561100000000 ] mass: 39.098300 - symbol: K # 42 coordinates: [ 0.356528220000000, 0.876704020000000, 0.519438900000000 ] mass: 39.098300 - symbol: K # 43 coordinates: [ 0.876704020000000, 0.356528220000000, 0.019438900000000 ] mass: 39.098300 - symbol: K # 44 coordinates: [ 0.643471780000000, 0.123295980000000, 0.480561100000000 ] mass: 39.098300 reciprocal_lattice: # without 2pi - [ 0.060727650076925, -0.102984897376023, 0.001497869816351 ] # a* - [ 0.060727650076925, 0.102984897376023, 0.001497869816351 ] # b* - [ 0.000039237932128, 0.000000000000000, 0.084603689481994 ] # c*unit_cell: lattice: - [ 16.467151919999999, 0.000000000000000, -0.007637220000000 ] # a - [ 0.000000000000000, 9.710161640000001, 0.000000000000000 ] # b - [ -0.291543430000000, 0.000000000000000, 11.819950710000001 ] # c points: - symbol: Re # 1 coordinates: [ 0.155653680000000, 0.151194720000000, 0.474000040000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.844346320000000, 0.151194720000000, 0.025999960000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 3 coordinates: [ 0.844346320000000, 0.848805280000000, 0.525999960000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 4 coordinates: [ 0.155653680000000, 0.848805280000000, 0.974000040000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 5 coordinates: [ 0.293231640000000, 0.176304780000000, 0.369114400000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 6 coordinates: [ 0.706768360000000, 0.176304780000000, 0.130885600000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 7 coordinates: [ 0.706768360000000, 0.823695220000000, 0.630885600000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 8 coordinates: [ 0.293231640000000, 0.823695220000000, 0.869114400000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 9 coordinates: [ 0.707073530000000, 0.896089010000000, 0.415570940000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 10 coordinates: [ 0.292926470000000, 0.896089010000000, 0.084429060000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 11 coordinates: [ 0.292926470000000, 0.103910990000000, 0.584429060000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 12 coordinates: [ 0.707073530000000, 0.103910990000000, 0.915570940000000 ] mass: 186.207000 reduced_to: 12 - symbol: Re # 13 coordinates: [ 0.655653680000000, 0.651194720000000, 0.474000040000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 14 coordinates: [ 0.344346320000000, 0.651194720000000, 0.025999960000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 15 coordinates: [ 0.344346320000000, 0.348805280000000, 0.525999960000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 16 coordinates: [ 0.655653680000000, 0.348805280000000, 0.974000040000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 17 coordinates: [ 0.793231640000000, 0.676304780000000, 0.369114400000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 18 coordinates: [ 0.206768360000000, 0.676304780000000, 0.130885600000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 19 coordinates: [ 0.206768360000000, 0.323695220000000, 0.630885600000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 20 coordinates: [ 0.793231640000000, 0.323695220000000, 0.869114400000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 21 coordinates: [ 0.207073530000000, 0.396089010000000, 0.415570940000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 22 coordinates: [ 0.792926470000000, 0.396089010000000, 0.084429060000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 23 coordinates: [ 0.792926470000000, 0.603910990000000, 0.584429060000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 24 coordinates: [ 0.207073530000000, 0.603910990000000, 0.915570940000000 ] mass: 186.207000 reduced_to: 12 - symbol: S # 25 coordinates: [ 0.163996240000000, 0.091129850000000, 0.670336010000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.836003760000000, 0.091129850000000, 0.829663990000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.836003760000000, 0.908870150000000, 0.329663990000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.163996240000000, 0.908870150000000, 0.170336010000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.756957310000000, 0.959604040000000, 0.069048870000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.243042690000000, 0.959604040000000, 0.430951130000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.243042690000000, 0.040395960000000, 0.930951130000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.756957310000000, 0.040395960000000, 0.569048870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.335832050000000, 0.276904730000000, 0.719395260000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.664167950000000, 0.276904730000000, 0.780604740000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.664167950000000, 0.723095270000000, 0.280604740000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.335832050000000, 0.723095270000000, 0.219395260000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.416855790000000, 0.139088240000000, 0.480784650000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.583144210000000, 0.139088240000000, 0.019215350000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.583144210000000, 0.860911760000000, 0.519215350000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.416855790000000, 0.860911760000000, 0.980784650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.529454260000000, 0.470133310000000, 0.925019160000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.470545740000000, 0.470133310000000, 0.574980840000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.470545740000000, 0.529866690000000, 0.074980840000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.529454260000000, 0.529866690000000, 0.425019160000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.352835650000000, 0.085804860000000, 0.196005300000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.647164350000000, 0.085804860000000, 0.303994700000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.647164350000000, 0.914195140000000, 0.803994700000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.352835650000000, 0.914195140000000, 0.696005300000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.663996240000000, 0.591129850000000, 0.670336010000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 50 coordinates: [ 0.336003760000000, 0.591129850000000, 0.829663990000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 51 coordinates: [ 0.336003760000000, 0.408870150000000, 0.329663990000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 52 coordinates: [ 0.663996240000000, 0.408870150000000, 0.170336010000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 53 coordinates: [ 0.256957310000000, 0.459604040000000, 0.069048870000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 54 coordinates: [ 0.743042690000000, 0.459604040000000, 0.430951130000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 55 coordinates: [ 0.743042690000000, 0.540395960000000, 0.930951130000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 56 coordinates: [ 0.256957310000000, 0.540395960000000, 0.569048870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 57 coordinates: [ 0.835832050000000, 0.776904730000000, 0.719395260000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 58 coordinates: [ 0.164167950000000, 0.776904730000000, 0.780604740000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 59 coordinates: [ 0.164167950000000, 0.223095270000000, 0.280604740000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 60 coordinates: [ 0.835832050000000, 0.223095270000000, 0.219395260000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 61 coordinates: [ 0.916855790000000, 0.639088240000000, 0.480784650000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 62 coordinates: [ 0.083144210000000, 0.639088240000000, 0.019215350000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 63 coordinates: [ 0.083144210000000, 0.360911760000000, 0.519215350000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 64 coordinates: [ 0.916855790000000, 0.360911760000000, 0.980784650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 65 coordinates: [ 0.029454260000000, 0.970133310000000, 0.925019160000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 66 coordinates: [ 0.970545740000000, 0.970133310000000, 0.574980840000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 67 coordinates: [ 0.970545740000000, 0.029866690000000, 0.074980840000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 68 coordinates: [ 0.029454260000000, 0.029866690000000, 0.425019160000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 69 coordinates: [ 0.852835650000000, 0.585804860000000, 0.196005300000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 70 coordinates: [ 0.147164350000000, 0.585804860000000, 0.303994700000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 71 coordinates: [ 0.147164350000000, 0.414195140000000, 0.803994700000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 72 coordinates: [ 0.852835650000000, 0.414195140000000, 0.696005300000000 ] mass: 32.065000 reduced_to: 48 - symbol: K # 73 coordinates: [ 0.500000000000000, 0.894261220000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 74 coordinates: [ 0.500000000000000, 0.105738780000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 74 - symbol: K # 75 coordinates: [ 0.500000000000000, 0.286946980000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 75 - symbol: K # 76 coordinates: [ 0.500000000000000, 0.713053020000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 76 - symbol: K # 77 coordinates: [ 0.383383880000000, 0.260087900000000, 0.980561100000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 78 coordinates: [ 0.616616120000000, 0.260087900000000, 0.519438900000000 ] mass: 39.098300 reduced_to: 78 - symbol: K # 79 coordinates: [ 0.616616120000000, 0.739912100000000, 0.019438900000000 ] mass: 39.098300 reduced_to: 79 - symbol: K # 80 coordinates: [ 0.383383880000000, 0.739912100000000, 0.480561100000000 ] mass: 39.098300 reduced_to: 80 - symbol: K # 81 coordinates: [ 0.000000000000000, 0.394261220000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 82 coordinates: [ 0.000000000000000, 0.605738780000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 74 - symbol: K # 83 coordinates: [ 0.000000000000000, 0.786946980000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 75 - symbol: K # 84 coordinates: [ 0.000000000000000, 0.213053020000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 76 - symbol: K # 85 coordinates: [ 0.883383880000000, 0.760087900000000, 0.980561100000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 86 coordinates: [ 0.116616120000000, 0.760087900000000, 0.519438900000000 ] mass: 39.098300 reduced_to: 78 - symbol: K # 87 coordinates: [ 0.116616120000000, 0.239912100000000, 0.019438900000000 ] mass: 39.098300 reduced_to: 79 - symbol: K # 88 coordinates: [ 0.883383880000000, 0.239912100000000, 0.480561100000000 ] mass: 39.098300 reduced_to: 80supercell: lattice: - [ 16.467151919999999, 0.000000000000000, -0.007637220000000 ] # a - [ 0.000000000000000, 9.710161640000001, 0.000000000000000 ] # b - [ -0.291543430000000, 0.000000000000000, 11.819950710000001 ] # c points: - symbol: Re # 1 coordinates: [ 0.155653680000000, 0.151194720000000, 0.474000040000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.844346320000000, 0.151194720000000, 0.025999960000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 3 coordinates: [ 0.844346320000000, 0.848805280000000, 0.525999960000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 4 coordinates: [ 0.155653680000000, 0.848805280000000, 0.974000040000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 5 coordinates: [ 0.293231640000000, 0.176304780000000, 0.369114400000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 6 coordinates: [ 0.706768360000000, 0.176304780000000, 0.130885600000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 7 coordinates: [ 0.706768360000000, 0.823695220000000, 0.630885600000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 8 coordinates: [ 0.293231640000000, 0.823695220000000, 0.869114400000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 9 coordinates: [ 0.707073530000000, 0.896089010000000, 0.415570940000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 10 coordinates: [ 0.292926470000000, 0.896089010000000, 0.084429060000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 11 coordinates: [ 0.292926470000000, 0.103910990000000, 0.584429060000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 12 coordinates: [ 0.707073530000000, 0.103910990000000, 0.915570940000000 ] mass: 186.207000 reduced_to: 12 - symbol: Re # 13 coordinates: [ 0.655653680000000, 0.651194720000000, 0.474000040000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 14 coordinates: [ 0.344346320000000, 0.651194720000000, 0.025999960000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 15 coordinates: [ 0.344346320000000, 0.348805280000000, 0.525999960000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 16 coordinates: [ 0.655653680000000, 0.348805280000000, 0.974000040000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 17 coordinates: [ 0.793231640000000, 0.676304780000000, 0.369114400000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 18 coordinates: [ 0.206768360000000, 0.676304780000000, 0.130885600000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 19 coordinates: [ 0.206768360000000, 0.323695220000000, 0.630885600000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 20 coordinates: [ 0.793231640000000, 0.323695220000000, 0.869114400000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 21 coordinates: [ 0.207073530000000, 0.396089010000000, 0.415570940000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 22 coordinates: [ 0.792926470000000, 0.396089010000000, 0.084429060000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 23 coordinates: [ 0.792926470000000, 0.603910990000000, 0.584429060000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 24 coordinates: [ 0.207073530000000, 0.603910990000000, 0.915570940000000 ] mass: 186.207000 reduced_to: 12 - symbol: S # 25 coordinates: [ 0.163996240000000, 0.091129850000000, 0.670336010000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.836003760000000, 0.091129850000000, 0.829663990000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.836003760000000, 0.908870150000000, 0.329663990000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.163996240000000, 0.908870150000000, 0.170336010000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.756957310000000, 0.959604040000000, 0.069048870000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.243042690000000, 0.959604040000000, 0.430951130000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.243042690000000, 0.040395960000000, 0.930951130000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.756957310000000, 0.040395960000000, 0.569048870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.335832050000000, 0.276904730000000, 0.719395260000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.664167950000000, 0.276904730000000, 0.780604740000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.664167950000000, 0.723095270000000, 0.280604740000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.335832050000000, 0.723095270000000, 0.219395260000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.416855790000000, 0.139088240000000, 0.480784650000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.583144210000000, 0.139088240000000, 0.019215350000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.583144210000000, 0.860911760000000, 0.519215350000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.416855790000000, 0.860911760000000, 0.980784650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.529454260000000, 0.470133310000000, 0.925019160000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.470545740000000, 0.470133310000000, 0.574980840000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.470545740000000, 0.529866690000000, 0.074980840000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.529454260000000, 0.529866690000000, 0.425019160000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.352835650000000, 0.085804860000000, 0.196005300000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.647164350000000, 0.085804860000000, 0.303994700000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.647164350000000, 0.914195140000000, 0.803994700000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.352835650000000, 0.914195140000000, 0.696005300000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.663996240000000, 0.591129850000000, 0.670336010000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 50 coordinates: [ 0.336003760000000, 0.591129850000000, 0.829663990000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 51 coordinates: [ 0.336003760000000, 0.408870150000000, 0.329663990000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 52 coordinates: [ 0.663996240000000, 0.408870150000000, 0.170336010000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 53 coordinates: [ 0.256957310000000, 0.459604040000000, 0.069048870000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 54 coordinates: [ 0.743042690000000, 0.459604040000000, 0.430951130000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 55 coordinates: [ 0.743042690000000, 0.540395960000000, 0.930951130000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 56 coordinates: [ 0.256957310000000, 0.540395960000000, 0.569048870000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 57 coordinates: [ 0.835832050000000, 0.776904730000000, 0.719395260000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 58 coordinates: [ 0.164167950000000, 0.776904730000000, 0.780604740000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 59 coordinates: [ 0.164167950000000, 0.223095270000000, 0.280604740000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 60 coordinates: [ 0.835832050000000, 0.223095270000000, 0.219395260000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 61 coordinates: [ 0.916855790000000, 0.639088240000000, 0.480784650000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 62 coordinates: [ 0.083144210000000, 0.639088240000000, 0.019215350000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 63 coordinates: [ 0.083144210000000, 0.360911760000000, 0.519215350000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 64 coordinates: [ 0.916855790000000, 0.360911760000000, 0.980784650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 65 coordinates: [ 0.029454260000000, 0.970133310000000, 0.925019160000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 66 coordinates: [ 0.970545740000000, 0.970133310000000, 0.574980840000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 67 coordinates: [ 0.970545740000000, 0.029866690000000, 0.074980840000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 68 coordinates: [ 0.029454260000000, 0.029866690000000, 0.425019160000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 69 coordinates: [ 0.852835650000000, 0.585804860000000, 0.196005300000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 70 coordinates: [ 0.147164350000000, 0.585804860000000, 0.303994700000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 71 coordinates: [ 0.147164350000000, 0.414195140000000, 0.803994700000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 72 coordinates: [ 0.852835650000000, 0.414195140000000, 0.696005300000000 ] mass: 32.065000 reduced_to: 48 - symbol: K # 73 coordinates: [ 0.500000000000000, 0.894261220000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 74 coordinates: [ 0.500000000000000, 0.105738780000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 74 - symbol: K # 75 coordinates: [ 0.500000000000000, 0.286946980000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 75 - symbol: K # 76 coordinates: [ 0.500000000000000, 0.713053020000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 76 - symbol: K # 77 coordinates: [ 0.383383880000000, 0.260087900000000, 0.980561100000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 78 coordinates: [ 0.616616120000000, 0.260087900000000, 0.519438900000000 ] mass: 39.098300 reduced_to: 78 - symbol: K # 79 coordinates: [ 0.616616120000000, 0.739912100000000, 0.019438900000000 ] mass: 39.098300 reduced_to: 79 - symbol: K # 80 coordinates: [ 0.383383880000000, 0.739912100000000, 0.480561100000000 ] mass: 39.098300 reduced_to: 80 - symbol: K # 81 coordinates: [ 0.000000000000000, 0.394261220000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 82 coordinates: [ 0.000000000000000, 0.605738780000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 74 - symbol: K # 83 coordinates: [ 0.000000000000000, 0.786946980000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 75 - symbol: K # 84 coordinates: [ 0.000000000000000, 0.213053020000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 76 - symbol: K # 85 coordinates: [ 0.883383880000000, 0.760087900000000, 0.980561100000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 86 coordinates: [ 0.116616120000000, 0.760087900000000, 0.519438900000000 ] mass: 39.098300 reduced_to: 78 - symbol: K # 87 coordinates: [ 0.116616120000000, 0.239912100000000, 0.019438900000000 ] mass: 39.098300 reduced_to: 79 - symbol: K # 88 coordinates: [ 0.883383880000000, 0.239912100000000, 0.480561100000000 ] mass: 39.098300 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ -0.3206958400000000, -0.0031681700000000, 0.0031363500000000 ] - [ -0.0008504500000000, -0.0000630200000000, -0.0002959500000000 ] - [ -0.0001475300000000, -0.0003632500000000, -0.0013239000000000 ] - [ 0.0008270900000000, 0.0000475200000000, 0.0001471500000000 ] - [ 0.0892286100000000, 0.0171003000000000, -0.0364171700000000 ] - [ 0.0003417300000000, -0.0001896400000000, -0.0005278600000000 ] - [ 0.0002393000000000, 0.0002755500000000, -0.0006762200000000 ] - [ -0.0004166400000000, -0.0003264400000000, 0.0009724300000000 ] - [ 0.0006546700000000, -0.0006247600000000, 0.0003249300000000 ] - [ -0.0006044300000000, 0.0003121400000000, -0.0009063400000000 ] - [ 0.0787425700000000, -0.0034726000000000, 0.0393515700000000 ] - [ 0.0006391600000000, 0.0004989800000000, 0.0004088500000000 ] - [ 0.0006951700000000, -0.0001018000000000, 0.0002598000000000 ] - [ -0.0005312100000000, 0.0000067300000000, -0.0004149300000000 ] - [ 0.0031927600000000, 0.0037553100000000, 0.0007422900000000 ] - [ 0.0008605900000000, 0.0001121000000000, 0.0003004200000000 ] - [ -0.0001023400000000, 0.0000017300000000, 0.0008213400000000 ] - [ 0.0003809100000000, -0.0003734800000000, -0.0012154100000000 ] - [ 0.0224462500000000, 0.0148370500000000, 0.0112322600000000 ] - [ -0.0001976100000000, 0.0003120700000000, 0.0004527900000000 ] - [ 0.0229931300000000, 0.0194164100000000, -0.0015152900000000 ] - [ -0.0006425500000000, -0.0005892400000000, -0.0003083400000000 ] - [ -0.0005384500000000, 0.0006189200000000, -0.0004875400000000 ] - [ 0.0006819300000000, 0.0005775200000000, 0.0007944500000000 ] - [ 0.0064504700000000, -0.0032905700000000, -0.0063678800000000 ] - [ 0.0003381400000000, 0.0002588000000000, -0.0003294900000000 ] - [ 0.0000116700000000, -0.0003491400000000, -0.0002147700000000 ] - [ -0.0004825100000000, -0.0003003300000000, 0.0003939300000000 ] - [ -0.0000249300000000, -0.0001247300000000, -0.0001887000000000 ] - [ 0.0235383200000000, -0.0207661700000000, -0.0060018300000000 ] - [ 0.0003792000000000, -0.0000511900000000, 0.0002410300000000 ] - [ -0.0002379000000000, 0.0000670300000000, -0.0001502200000000 ] - [ 0.0006905700000000, -0.0012672100000000, 0.0012289400000000 ] - [ 0.0004185700000000, 0.0004880800000000, -0.0004324700000000 ] - [ 0.0003037400000000, -0.0004429400000000, -0.0004956900000000 ] - [ -0.0003283500000000, -0.0005421000000000, 0.0008187600000000 ] - [ 0.0026383400000000, -0.0013132700000000, 0.0002031600000000 ] - [ 0.0000281000000000, -0.0000250000000000, -0.0002508100000000 ] - [ -0.0000398000000000, -0.0000013800000000, -0.0002251800000000 ] - [ -0.0002814700000000, -0.0000772600000000, 0.0001686900000000 ] - [ 0.0002000200000000, 0.0000174900000000, -0.0001614900000000 ] - [ -0.0007141600000000, -0.0003621600000000, -0.0002372600000000 ] - [ -0.0003816700000000, 0.0001188000000000, -0.0000343100000000 ] - [ 0.0001929800000000, 0.0001955600000000, -0.0002462400000000 ] - [ -0.0002464400000000, -0.0023867300000000, -0.0009847000000000 ] - [ -0.0001392800000000, -0.0006161700000000, -0.0002779600000000 ] - [ -0.0001909600000000, 0.0006121500000000, -0.0000982100000000 ] - [ -0.0002450300000000, -0.0003516700000000, 0.0012311800000000 ] - [ -0.0004109300000000, 0.0002714700000000, 0.0003974900000000 ] - [ 0.0003697500000000, 0.0002155200000000, -0.0000977100000000 ] - [ 0.0017423400000000, -0.0005196700000000, -0.0019536600000000 ] - [ -0.0003683900000000, -0.0002618400000000, 0.0003023400000000 ] - [ -0.0002707200000000, -0.0001057800000000, -0.0003574800000000 ] - [ -0.0000083900000000, -0.0000993700000000, 0.0002228900000000 ] - [ -0.0000030800000000, 0.0001280800000000, 0.0001773700000000 ] - [ -0.0011519600000000, 0.0007318400000000, -0.0005968200000000 ] - [ -0.0002952300000000, 0.0006160400000000, 0.0004171000000000 ] - [ 0.0004881600000000, 0.0004262600000000, -0.0003306200000000 ] - [ 0.0056770300000000, -0.0041076700000000, 0.0002287600000000 ] - [ -0.0005261100000000, -0.0004834700000000, 0.0003164500000000 ] - [ -0.0003485400000000, -0.0002031200000000, 0.0002444600000000 ] - [ 0.0004004100000000, -0.0001391400000000, -0.0001563800000000 ] - [ 0.0208756400000000, -0.0282541000000000, -0.0085365000000000 ] - [ -0.0000784400000000, 0.0000241000000000, 0.0002811100000000 ] - [ 0.0003817900000000, -0.0001588100000000, -0.0002642600000000 ] - [ 0.0070747800000000, 0.0035490300000000, -0.0020389700000000 ] - [ -0.0000661500000000, 0.0002792200000000, 0.0001323000000000 ] - [ 0.0398533900000000, 0.0124937900000000, 0.0080804900000000 ] - [ 0.0000970600000000, -0.0007066900000000, 0.0000755900000000 ] - [ -0.0004830900000000, -0.0011264500000000, 0.0000340000000000 ] - [ -0.0010904000000000, 0.0003185500000000, -0.0003350700000000 ] - [ 0.0001565400000000, 0.0006466300000000, 0.0003306600000000 ] - [ 0.0003759200000000, -0.0003968700000000, 0.0000755500000000 ] - [ 0.0002635100000000, 0.0006125800000000, -0.0000788100000000 ] - [ 0.0001224100000000, 0.0003796100000000, 0.0001525200000000 ] - [ 0.0002757800000000, -0.0003354700000000, -0.0000243000000000 ] - [ -0.0001875000000000, -0.0001461200000000, -0.0000748500000000 ] - [ 0.0003941600000000, -0.0002194700000000, -0.0000163500000000 ] - [ 0.0005282900000000, 0.0001658300000000, 0.0000119000000000 ] - [ 0.0005940600000000, -0.0006562400000000, 0.0003517400000000 ] - [ -0.0009297800000000, -0.0007357800000000, 0.0005204300000000 ] - [ -0.0001488400000000, 0.0005822900000000, -0.0003360800000000 ] - [ -0.0001476900000000, 0.0009660000000000, 0.0007096500000000 ] - [ -0.0009772300000000, -0.0002875300000000, -0.0005941600000000 ] - [ -0.0004874700000000, -0.0001623300000000, 0.0000174900000000 ] - [ -0.0017808000000000, -0.0010946300000000, 0.0003607400000000 ] - [ 0.0002132800000000, 0.0000964100000000, -0.0000164600000000 ] - [ 0.0008019900000000, -0.0003925600000000, -0.0000767000000000 ]- atom: 1 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ 0.3168767900000000, 0.0042462900000000, -0.0021597400000000 ] - [ -0.0005947200000000, -0.0000741900000000, -0.0002282500000000 ] - [ -0.0013659300000000, 0.0004792200000000, 0.0008895400000000 ] - [ 0.0006516200000000, 0.0000976900000000, 0.0003808700000000 ] - [ -0.0866136800000000, -0.0173877600000000, 0.0363556500000000 ] - [ 0.0000572600000000, -0.0003176500000000, -0.0006679300000000 ] - [ 0.0001786300000000, 0.0002389400000000, -0.0005480800000000 ] - [ 0.0000035100000000, 0.0008370000000000, 0.0002253100000000 ] - [ 0.0005035500000000, -0.0003944700000000, 0.0004831200000000 ] - [ -0.0005781800000000, -0.0013661200000000, 0.0000771400000000 ] - [ -0.0769757000000000, 0.0040581200000000, -0.0387843900000000 ] - [ 0.0005551800000000, 0.0005825200000000, 0.0004022900000000 ] - [ 0.0007626900000000, -0.0000241000000000, 0.0002839200000000 ] - [ -0.0009472000000000, -0.0001450000000000, -0.0001011500000000 ] - [ -0.0045610200000000, -0.0035296600000000, -0.0011975900000000 ] - [ 0.0005862700000000, 0.0000634300000000, 0.0002089500000000 ] - [ -0.0003206100000000, -0.0004978200000000, 0.0004096900000000 ] - [ 0.0000285800000000, -0.0001438800000000, 0.0000265600000000 ] - [ -0.0219694900000000, -0.0140440900000000, -0.0122066300000000 ] - [ -0.0002065100000000, 0.0002208200000000, 0.0007480700000000 ] - [ -0.0216981500000000, -0.0199992000000000, 0.0022390300000000 ] - [ -0.0005467800000000, -0.0004814600000000, -0.0005363000000000 ] - [ -0.0006202600000000, 0.0004097900000000, -0.0002776400000000 ] - [ 0.0005023500000000, 0.0004845200000000, 0.0000288000000000 ] - [ -0.0072330600000000, 0.0038446600000000, 0.0068307600000000 ] - [ 0.0004435400000000, 0.0002820600000000, -0.0002842400000000 ] - [ 0.0007399300000000, -0.0001367900000000, -0.0003934100000000 ] - [ -0.0002695800000000, -0.0002404200000000, 0.0001966600000000 ] - [ -0.0000998200000000, -0.0001701600000000, -0.0001935600000000 ] - [ -0.0223366400000000, 0.0189896900000000, 0.0060179500000000 ] - [ -0.0002376500000000, 0.0003008700000000, 0.0001684200000000 ] - [ 0.0000924700000000, 0.0001817500000000, -0.0002725700000000 ] - [ -0.0015014400000000, 0.0021501800000000, -0.0003793700000000 ] - [ 0.0003844000000000, 0.0004483400000000, -0.0004230300000000 ] - [ 0.0004600300000000, -0.0004387100000000, -0.0003959200000000 ] - [ -0.0004842300000000, -0.0003610400000000, 0.0000538300000000 ] - [ -0.0028354200000000, 0.0013142300000000, 0.0003203500000000 ] - [ 0.0003049300000000, 0.0000285500000000, -0.0002343100000000 ] - [ 0.0004144300000000, 0.0000364800000000, -0.0002779700000000 ] - [ -0.0000711500000000, 0.0001198500000000, 0.0003296800000000 ] - [ 0.0004531800000000, -0.0001788700000000, -0.0000638300000000 ] - [ 0.0000623000000000, 0.0001943800000000, 0.0004672500000000 ] - [ -0.0002321800000000, 0.0000230100000000, 0.0002818400000000 ] - [ 0.0004171700000000, -0.0000578200000000, -0.0000029200000000 ] - [ 0.0005399700000000, 0.0011548900000000, 0.0013331400000000 ] - [ -0.0001725300000000, -0.0006008700000000, -0.0001179600000000 ] - [ -0.0001290600000000, 0.0005726100000000, -0.0003379900000000 ] - [ 0.0004848800000000, 0.0015701800000000, -0.0007949800000000 ] - [ -0.0003258400000000, 0.0002571600000000, 0.0002052900000000 ] - [ 0.0004061800000000, 0.0003070500000000, -0.0005383200000000 ] - [ -0.0009297100000000, 0.0000314600000000, 0.0013136700000000 ] - [ -0.0004063700000000, -0.0002710100000000, 0.0002731700000000 ] - [ 0.0001277200000000, -0.0001710300000000, -0.0000276200000000 ] - [ 0.0001465100000000, -0.0002178100000000, 0.0001995600000000 ] - [ 0.0001265500000000, 0.0001038700000000, 0.0002206400000000 ] - [ 0.0010215400000000, -0.0004117300000000, 0.0002121400000000 ] - [ -0.0005220500000000, 0.0002668100000000, 0.0004282700000000 ] - [ 0.0003181100000000, 0.0004954300000000, -0.0005433200000000 ] - [ -0.0049802400000000, 0.0031927700000000, -0.0010639500000000 ] - [ -0.0002628500000000, -0.0004273800000000, 0.0005565200000000 ] - [ 0.0000140500000000, 0.0001665400000000, 0.0002844500000000 ] - [ -0.0000548500000000, 0.0001237400000000, -0.0003185800000000 ] - [ -0.0207204100000000, 0.0288875600000000, 0.0082277100000000 ] - [ -0.0002870000000000, -0.0000051000000000, 0.0002052200000000 ] - [ 0.0002609900000000, 0.0000024300000000, 0.0000199200000000 ] - [ -0.0079203700000000, -0.0038303900000000, 0.0022281700000000 ] - [ -0.0005564200000000, -0.0001277800000000, 0.0001154600000000 ] - [ -0.0407101700000000, -0.0131720200000000, -0.0086559700000000 ] - [ 0.0002479800000000, -0.0005141300000000, 0.0002896600000000 ] - [ 0.0001045100000000, -0.0000643800000000, -0.0004643900000000 ] - [ 0.0007385300000000, 0.0008671700000000, -0.0001228100000000 ] - [ 0.0001454000000000, 0.0005617800000000, 0.0000907100000000 ] - [ -0.0003719300000000, -0.0006126800000000, -0.0000685100000000 ] - [ -0.0002735900000000, 0.0003959200000000, 0.0000734900000000 ] - [ -0.0001095200000000, 0.0003140600000000, -0.0001554200000000 ] - [ -0.0002781800000000, -0.0003571200000000, 0.0000277400000000 ] - [ -0.0005599800000000, -0.0001501000000000, 0.0000695300000000 ] - [ 0.0003613500000000, -0.0000763300000000, 0.0000166000000000 ] - [ 0.0002176200000000, 0.0001242700000000, -0.0000081300000000 ] - [ -0.0013404400000000, 0.0009571400000000, -0.0003589000000000 ] - [ 0.0009390200000000, -0.0002721600000000, -0.0005151600000000 ] - [ 0.0001435600000000, 0.0004202700000000, 0.0003269200000000 ] - [ 0.0001503100000000, -0.0002864100000000, -0.0007261600000000 ] - [ 0.0009814500000000, -0.0004027300000000, 0.0005833100000000 ] - [ -0.0002578500000000, -0.0001348400000000, -0.0000226900000000 ] - [ 0.0025366000000000, 0.0007940000000000, -0.0003529400000000 ] - [ 0.0005373600000000, 0.0001960300000000, 0.0000149200000000 ] - [ -0.0015602100000000, 0.0006996500000000, 0.0000807200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037498400000000, -0.3177195500000000, 0.0055844500000000 ] - [ -0.0007069100000000, -0.0000662600000000, -0.0002147100000000 ] - [ -0.0011848000000000, 0.0017232300000000, -0.0008474700000000 ] - [ 0.0007563500000000, -0.0001517900000000, 0.0004460900000000 ] - [ 0.0041795600000000, 0.0066018200000000, 0.0048512800000000 ] - [ 0.0003046500000000, -0.0001583600000000, -0.0006081000000000 ] - [ 0.0002350600000000, 0.0002159800000000, -0.0006995000000000 ] - [ -0.0002229200000000, 0.0004919400000000, 0.0007546000000000 ] - [ 0.0008102000000000, -0.0006164600000000, 0.0004882700000000 ] - [ -0.0002417800000000, -0.0016556500000000, -0.0000330600000000 ] - [ -0.0226220400000000, 0.0162998100000000, -0.0149674200000000 ] - [ 0.0005945500000000, 0.0005636800000000, 0.0004215500000000 ] - [ 0.0006799400000000, -0.0000817800000000, 0.0003120000000000 ] - [ -0.0008030300000000, 0.0000551000000000, -0.0002769800000000 ] - [ 0.0029485800000000, 0.0009277600000000, 0.0006462000000000 ] - [ 0.0006895900000000, 0.0001143300000000, 0.0002336600000000 ] - [ -0.0005891300000000, -0.0004832100000000, 0.0001638400000000 ] - [ 0.0002956700000000, -0.0001347700000000, -0.0003489300000000 ] - [ 0.0286116800000000, 0.0485936000000000, 0.0457285900000000 ] - [ -0.0001430600000000, 0.0001515300000000, 0.0007710500000000 ] - [ 0.0400058200000000, 0.0913257500000000, -0.0207437900000000 ] - [ -0.0006873800000000, -0.0007153600000000, -0.0004110800000000 ] - [ -0.0008511900000000, 0.0004202100000000, -0.0004656400000000 ] - [ 0.0007748600000000, 0.0012295500000000, 0.0001361500000000 ] - [ -0.0065416100000000, 0.0152605900000000, -0.0207274900000000 ] - [ 0.0004303900000000, 0.0002767600000000, -0.0003168100000000 ] - [ 0.0001158300000000, -0.0004504100000000, 0.0000142300000000 ] - [ -0.0004179300000000, -0.0002607200000000, 0.0001765700000000 ] - [ -0.0000526300000000, -0.0001341200000000, -0.0001877200000000 ] - [ -0.0310791100000000, 0.0420756900000000, 0.0084307400000000 ] - [ -0.0000762900000000, 0.0006436300000000, 0.0001218900000000 ] - [ 0.0000355300000000, -0.0000595400000000, -0.0003075200000000 ] - [ -0.0014329100000000, 0.0016407000000000, 0.0014142000000000 ] - [ 0.0004012300000000, 0.0004722500000000, -0.0004397000000000 ] - [ 0.0005487100000000, -0.0004712200000000, -0.0003659700000000 ] - [ -0.0006991500000000, 0.0000625400000000, -0.0000188300000000 ] - [ -0.0014762900000000, -0.0003335900000000, -0.0005144500000000 ] - [ 0.0001237300000000, -0.0000053500000000, -0.0002844200000000 ] - [ 0.0002759800000000, 0.0000300300000000, -0.0001670100000000 ] - [ -0.0001686600000000, 0.0000068500000000, 0.0002566200000000 ] - [ 0.0003620700000000, -0.0001126600000000, -0.0001139900000000 ] - [ -0.0006742700000000, -0.0000915500000000, 0.0000798900000000 ] - [ -0.0003896600000000, 0.0001256700000000, 0.0001510800000000 ] - [ 0.0003078300000000, -0.0000593800000000, -0.0001030500000000 ] - [ -0.0005121500000000, 0.0000080200000000, 0.0004041900000000 ] - [ -0.0001130000000000, -0.0006598300000000, -0.0001437800000000 ] - [ -0.0001830800000000, 0.0006116200000000, -0.0002399200000000 ] - [ 0.0000047700000000, 0.0011351600000000, -0.0010549000000000 ] - [ -0.0003473000000000, 0.0002449000000000, 0.0003224700000000 ] - [ 0.0003612400000000, 0.0004888800000000, -0.0002858000000000 ] - [ 0.0003148900000000, 0.0025408400000000, -0.0010523700000000 ] - [ -0.0003734300000000, -0.0002690900000000, 0.0002746900000000 ] - [ -0.0000546400000000, -0.0001484300000000, -0.0003994500000000 ] - [ 0.0000837900000000, -0.0002053400000000, 0.0002705900000000 ] - [ 0.0000522500000000, 0.0001621200000000, 0.0001565300000000 ] - [ 0.0004202100000000, 0.0031900300000000, -0.0006532000000000 ] - [ -0.0001994300000000, 0.0005323700000000, 0.0004694600000000 ] - [ 0.0001611000000000, 0.0002764300000000, -0.0004907800000000 ] - [ -0.0010070500000000, 0.0136352500000000, -0.0163434700000000 ] - [ -0.0004752200000000, -0.0004429700000000, 0.0003693300000000 ] - [ 0.0004223600000000, -0.0006963200000000, 0.0003220300000000 ] - [ 0.0000227600000000, 0.0000147100000000, -0.0003948200000000 ] - [ -0.0180331900000000, 0.0424562200000000, 0.0065327200000000 ] - [ -0.0001571200000000, 0.0000090400000000, 0.0002601100000000 ] - [ 0.0002495600000000, -0.0001009200000000, -0.0001742100000000 ] - [ 0.0029344400000000, 0.0024815900000000, -0.0014606400000000 ] - [ -0.0001993700000000, 0.0002061200000000, 0.0002147100000000 ] - [ 0.0136088400000000, 0.0252812000000000, 0.0068876800000000 ] - [ 0.0001915800000000, -0.0006149800000000, 0.0002328300000000 ] - [ -0.0023790100000000, 0.0006496100000000, -0.0017313400000000 ] - [ -0.0018259000000000, -0.0003169000000000, 0.0008374500000000 ] - [ 0.0006007100000000, 0.0006102900000000, 0.0000420300000000 ] - [ -0.0002033300000000, -0.0005185700000000, 0.0001288100000000 ] - [ -0.0002538000000000, 0.0005354300000000, -0.0001099900000000 ] - [ -0.0001859600000000, 0.0003459500000000, 0.0000924600000000 ] - [ -0.0000463800000000, -0.0003846600000000, -0.0000207400000000 ] - [ -0.0003740700000000, -0.0000740900000000, -0.0000804900000000 ] - [ 0.0003541100000000, -0.0001604100000000, -0.0000499800000000 ] - [ 0.0003629300000000, 0.0001343800000000, -0.0000037100000000 ] - [ -0.0007899300000000, 0.0004701000000000, -0.0003077400000000 ] - [ -0.0008504600000000, -0.0002939600000000, -0.0011432100000000 ] - [ -0.0002799000000000, 0.0011497500000000, 0.0007745800000000 ] - [ 0.0003299800000000, 0.0008098900000000, 0.0002847800000000 ] - [ -0.0002627900000000, -0.0012966000000000, 0.0008118900000000 ] - [ -0.0003619400000000, -0.0001274100000000, 0.0000163500000000 ] - [ 0.0013118400000000, 0.0033590300000000, -0.0006985200000000 ] - [ 0.0002548100000000, 0.0002579300000000, -0.0004243800000000 ] - [ -0.0012509300000000, -0.0008336000000000, -0.0004615700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036521600000000, 0.3119708700000000, -0.0054726800000000 ] - [ -0.0007171700000000, -0.0000855200000000, -0.0003050200000000 ] - [ -0.0003264800000000, -0.0015817300000000, 0.0003951000000000 ] - [ 0.0007039100000000, 0.0003051500000000, 0.0000745300000000 ] - [ -0.0044689900000000, -0.0072686700000000, -0.0037695100000000 ] - [ 0.0000815200000000, -0.0003574400000000, -0.0005721900000000 ] - [ 0.0001754500000000, 0.0003025200000000, -0.0005016400000000 ] - [ -0.0001896300000000, 0.0000559500000000, 0.0004351900000000 ] - [ 0.0003446900000000, -0.0003874100000000, 0.0003200400000000 ] - [ -0.0009371800000000, 0.0006010900000000, -0.0007725700000000 ] - [ 0.0216999700000000, -0.0154130400000000, 0.0142539400000000 ] - [ 0.0005870400000000, 0.0005090300000000, 0.0003857600000000 ] - [ 0.0007615500000000, -0.0000607900000000, 0.0002363700000000 ] - [ -0.0006510700000000, -0.0002052800000000, -0.0002359600000000 ] - [ -0.0043454000000000, -0.0007825000000000, -0.0011147000000000 ] - [ 0.0007379800000000, 0.0000711700000000, 0.0002742500000000 ] - [ 0.0001792800000000, -0.0000207700000000, 0.0010645500000000 ] - [ 0.0000763400000000, -0.0003807400000000, -0.0008589000000000 ] - [ -0.0277079200000000, -0.0466465100000000, -0.0458079000000000 ] - [ -0.0002546000000000, 0.0003940500000000, 0.0004088400000000 ] - [ -0.0375757100000000, -0.0888277700000000, 0.0209000800000000 ] - [ -0.0004952800000000, -0.0003390800000000, -0.0004233700000000 ] - [ -0.0003025500000000, 0.0005942800000000, -0.0002899700000000 ] - [ 0.0003976800000000, -0.0001672400000000, 0.0006959700000000 ] - [ 0.0057951800000000, -0.0147296600000000, 0.0213639300000000 ] - [ 0.0003500700000000, 0.0002670300000000, -0.0002974600000000 ] - [ 0.0006346300000000, -0.0000356800000000, -0.0006143500000000 ] - [ -0.0003233400000000, -0.0002876900000000, 0.0003982800000000 ] - [ -0.0000727800000000, -0.0001643600000000, -0.0001930200000000 ] - [ 0.0326666000000000, -0.0436649600000000, -0.0083779900000000 ] - [ 0.0002173600000000, -0.0004098600000000, 0.0002982500000000 ] - [ -0.0001825200000000, 0.0003070700000000, -0.0001139500000000 ] - [ 0.0005247900000000, -0.0008022900000000, -0.0006461500000000 ] - [ 0.0004107200000000, 0.0004662800000000, -0.0004102000000000 ] - [ 0.0002126400000000, -0.0004100900000000, -0.0005318800000000 ] - [ -0.0001160900000000, -0.0009629300000000, 0.0008868200000000 ] - [ 0.0011190400000000, 0.0003125300000000, 0.0010424700000000 ] - [ 0.0002281400000000, 0.0000171000000000, -0.0001956900000000 ] - [ 0.0001153400000000, -0.0000016100000000, -0.0003276100000000 ] - [ -0.0001951400000000, 0.0000291500000000, 0.0002434800000000 ] - [ 0.0003070900000000, -0.0000505800000000, -0.0001060500000000 ] - [ 0.0000127800000000, -0.0000605000000000, 0.0001476900000000 ] - [ -0.0002275600000000, 0.0000120500000000, 0.0000939500000000 ] - [ 0.0003160600000000, 0.0001963800000000, -0.0001414200000000 ] - [ 0.0007991200000000, -0.0012166500000000, 0.0000213000000000 ] - [ -0.0001886600000000, -0.0005502400000000, -0.0002551300000000 ] - [ -0.0001187700000000, 0.0005669300000000, -0.0002024800000000 ] - [ 0.0002783700000000, 0.0001108400000000, 0.0014352100000000 ] - [ -0.0003734700000000, 0.0002945500000000, 0.0002692600000000 ] - [ 0.0004130900000000, 0.0000301400000000, -0.0003496500000000 ] - [ 0.0004174800000000, -0.0030558700000000, 0.0004470500000000 ] - [ -0.0003965300000000, -0.0002744900000000, 0.0002919400000000 ] - [ -0.0000875200000000, -0.0001349600000000, 0.0000083100000000 ] - [ 0.0000591900000000, -0.0001150700000000, 0.0001659700000000 ] - [ 0.0000707800000000, 0.0000718000000000, 0.0002407800000000 ] - [ -0.0004565500000000, -0.0028105500000000, 0.0002699000000000 ] - [ -0.0006289300000000, 0.0003445200000000, 0.0003631200000000 ] - [ 0.0006467700000000, 0.0006600100000000, -0.0003799100000000 ] - [ 0.0017759100000000, -0.0146124500000000, 0.0151143900000000 ] - [ -0.0003217500000000, -0.0004698700000000, 0.0004999700000000 ] - [ -0.0007671600000000, 0.0006512100000000, 0.0002136300000000 ] - [ 0.0003418000000000, -0.0000269200000000, -0.0000786000000000 ] - [ 0.0169673100000000, -0.0397634000000000, -0.0062583000000000 ] - [ -0.0002172300000000, 0.0000056400000000, 0.0002212400000000 ] - [ 0.0004093400000000, -0.0000561500000000, -0.0000608000000000 ] - [ -0.0036698600000000, -0.0026951400000000, 0.0015910500000000 ] - [ -0.0004312800000000, -0.0000605500000000, 0.0000326100000000 ] - [ -0.0134119600000000, -0.0253594300000000, -0.0071296200000000 ] - [ 0.0001509400000000, -0.0006094100000000, 0.0001231900000000 ] - [ 0.0020961400000000, -0.0018507400000000, 0.0012967500000000 ] - [ 0.0015353700000000, 0.0014626300000000, -0.0012792400000000 ] - [ -0.0003074700000000, 0.0006020400000000, 0.0003682300000000 ] - [ 0.0002069300000000, -0.0004880000000000, -0.0001232000000000 ] - [ 0.0002406500000000, 0.0004673900000000, 0.0000996900000000 ] - [ 0.0001923400000000, 0.0003414600000000, -0.0000927300000000 ] - [ 0.0000438800000000, -0.0003059500000000, 0.0000203700000000 ] - [ -0.0003714500000000, -0.0002223800000000, 0.0000805100000000 ] - [ 0.0003991700000000, -0.0001335800000000, 0.0000473400000000 ] - [ 0.0003839000000000, 0.0001535400000000, 0.0000032000000000 ] - [ 0.0000358800000000, -0.0001667600000000, 0.0003139400000000 ] - [ 0.0008402700000000, -0.0007132700000000, 0.0011312000000000 ] - [ 0.0002745400000000, -0.0001446200000000, -0.0007880400000000 ] - [ -0.0003326100000000, -0.0001180600000000, -0.0002960700000000 ] - [ 0.0002582700000000, 0.0005975600000000, -0.0008037700000000 ] - [ -0.0003843400000000, -0.0001677100000000, -0.0000176300000000 ] - [ -0.0005631200000000, -0.0037146100000000, 0.0007209100000000 ] - [ 0.0004925600000000, 0.0000326500000000, 0.0004204500000000 ] - [ 0.0004800300000000, 0.0011369500000000, 0.0004643500000000 ]- atom: 1 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0093730000000000, 0.0045126000000000, -0.3425684300000000 ] - [ -0.0007515000000000, -0.0001142900000000, -0.0002177500000000 ] - [ -0.0018396800000000, -0.0005297500000000, 0.0017813300000000 ] - [ 0.0006040600000000, -0.0001078600000000, 0.0007383700000000 ] - [ -0.0514046700000000, -0.0054129300000000, 0.0313200200000000 ] - [ 0.0002174600000000, -0.0002079600000000, -0.0006048500000000 ] - [ 0.0003754100000000, 0.0001031100000000, -0.0007080100000000 ] - [ 0.0005782400000000, 0.0001071700000000, 0.0002569200000000 ] - [ 0.0006207300000000, -0.0005705000000000, 0.0005745800000000 ] - [ -0.0016172900000000, -0.0008252900000000, -0.0006716400000000 ] - [ 0.0401856700000000, -0.0026628800000000, 0.0286890700000000 ] - [ 0.0005724900000000, 0.0004782400000000, 0.0004251800000000 ] - [ 0.0007076400000000, -0.0000412900000000, 0.0003682600000000 ] - [ -0.0008893300000000, -0.0000595800000000, -0.0006217100000000 ] - [ 0.0001256200000000, 0.0008394800000000, -0.0014977200000000 ] - [ 0.0007602400000000, 0.0001047700000000, 0.0002755100000000 ] - [ -0.0003531600000000, -0.0002906000000000, 0.0005241800000000 ] - [ -0.0005726700000000, -0.0002782800000000, -0.0013446500000000 ] - [ 0.0283663500000000, 0.0488571900000000, 0.0566547000000000 ] - [ -0.0001780100000000, 0.0002972800000000, 0.0006176000000000 ] - [ -0.0095312800000000, -0.0264781200000000, 0.0125549000000000 ] - [ -0.0005639900000000, -0.0005533600000000, -0.0004170200000000 ] - [ -0.0007450600000000, 0.0005757100000000, -0.0002244600000000 ] - [ 0.0010933400000000, -0.0002160700000000, 0.0006741300000000 ] - [ 0.0039279800000000, -0.0154419300000000, 0.0791717500000000 ] - [ 0.0004314300000000, 0.0002699000000000, -0.0003346200000000 ] - [ 0.0011141100000000, 0.0000332700000000, -0.0005366100000000 ] - [ -0.0003709700000000, -0.0005033600000000, 0.0000572400000000 ] - [ -0.0000744800000000, -0.0001526100000000, -0.0002330200000000 ] - [ -0.0103985100000000, 0.0084904400000000, 0.0142663800000000 ] - [ 0.0001252100000000, 0.0006141400000000, 0.0009091600000000 ] - [ -0.0000974600000000, -0.0000121900000000, -0.0002443400000000 ] - [ 0.0014763600000000, 0.0007860200000000, 0.0026445500000000 ] - [ 0.0004042500000000, 0.0004894600000000, -0.0004447100000000 ] - [ 0.0004149600000000, -0.0004309700000000, -0.0004437600000000 ] - [ -0.0003194900000000, -0.0004246800000000, 0.0008316100000000 ] - [ -0.0005971800000000, -0.0006122700000000, 0.0025619200000000 ] - [ 0.0001245700000000, -0.0000131000000000, -0.0002028300000000 ] - [ 0.0001810400000000, -0.0000273000000000, -0.0003741300000000 ] - [ -0.0001444600000000, 0.0001474200000000, 0.0002093000000000 ] - [ 0.0002986500000000, -0.0000705500000000, -0.0000994500000000 ] - [ -0.0003597100000000, 0.0001225900000000, 0.0006001600000000 ] - [ -0.0002802900000000, 0.0000178800000000, 0.0001098800000000 ] - [ 0.0000755000000000, -0.0001921600000000, -0.0004169100000000 ] - [ 0.0004882500000000, 0.0008164600000000, 0.0016182500000000 ] - [ -0.0003502600000000, -0.0004549700000000, -0.0002387500000000 ] - [ -0.0001387000000000, 0.0005898500000000, -0.0001847900000000 ] - [ 0.0008427600000000, -0.0015075900000000, 0.0011460000000000 ] - [ -0.0002661700000000, 0.0003054500000000, 0.0002931900000000 ] - [ 0.0003368200000000, 0.0003928000000000, 0.0000279900000000 ] - [ -0.0019058700000000, -0.0011278900000000, 0.0007750100000000 ] - [ -0.0004148100000000, -0.0002641700000000, 0.0003120400000000 ] - [ 0.0000208800000000, 0.0001062800000000, -0.0003141600000000 ] - [ 0.0000833500000000, -0.0001671300000000, 0.0001693500000000 ] - [ 0.0000422300000000, 0.0001083300000000, 0.0001884600000000 ] - [ -0.0001443800000000, 0.0002145600000000, 0.0015121100000000 ] - [ -0.0005444100000000, 0.0003848900000000, 0.0003910500000000 ] - [ 0.0001753600000000, 0.0004503600000000, -0.0009196100000000 ] - [ -0.0099533900000000, -0.0220894100000000, 0.0712570900000000 ] - [ -0.0004432700000000, -0.0004559300000000, 0.0004162300000000 ] - [ 0.0002161600000000, -0.0002867100000000, 0.0001433100000000 ] - [ 0.0002828100000000, 0.0001334700000000, -0.0001045500000000 ] - [ -0.0055478800000000, 0.0069593300000000, 0.0138916100000000 ] - [ -0.0002077800000000, 0.0000095500000000, 0.0002175300000000 ] - [ 0.0003162900000000, -0.0001927100000000, -0.0002228900000000 ] - [ -0.0061662000000000, -0.0039474800000000, -0.0022489500000000 ] - [ -0.0004008200000000, 0.0000260800000000, 0.0000477000000000 ] - [ 0.0131166600000000, 0.0105207500000000, 0.0244900000000000 ] - [ 0.0002873000000000, -0.0005320600000000, 0.0001416000000000 ] - [ 0.0016606500000000, -0.0012743000000000, 0.0003814300000000 ] - [ -0.0022495700000000, 0.0009922700000000, 0.0011529300000000 ] - [ 0.0002174000000000, 0.0005084200000000, 0.0002201700000000 ] - [ 0.0001775700000000, -0.0006131300000000, 0.0000304100000000 ] - [ 0.0000932400000000, 0.0005569600000000, 0.0000560600000000 ] - [ 0.0001055300000000, 0.0003475700000000, -0.0000518600000000 ] - [ -0.0000425600000000, -0.0003068500000000, -0.0000612500000000 ] - [ -0.0004061000000000, -0.0000952500000000, -0.0001904700000000 ] - [ 0.0004517200000000, -0.0001640900000000, 0.0000901900000000 ] - [ 0.0004238800000000, 0.0001569000000000, -0.0000085100000000 ] - [ -0.0004925800000000, 0.0002366400000000, 0.0003808500000000 ] - [ 0.0005996200000000, -0.0013796100000000, -0.0003010900000000 ] - [ -0.0000027000000000, 0.0003811200000000, 0.0000380500000000 ] - [ 0.0000675600000000, 0.0002872600000000, -0.0001488600000000 ] - [ -0.0012718600000000, 0.0001480100000000, 0.0008115300000000 ] - [ -0.0004232900000000, -0.0001614600000000, -0.0000403400000000 ] - [ 0.0005182500000000, -0.0004099300000000, -0.0004949400000000 ] - [ 0.0003624900000000, 0.0003028000000000, 0.0006989200000000 ] - [ -0.0005793300000000, -0.0001222400000000, 0.0000218500000000 ]- atom: 1 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ -0.0112829300000000, -0.0067391400000000, 0.3411429300000000 ] - [ -0.0006854900000000, -0.0000330000000000, -0.0003011200000000 ] - [ 0.0003660200000000, 0.0006882900000000, -0.0022398700000000 ] - [ 0.0008693800000000, 0.0002570200000000, -0.0002061900000000 ] - [ 0.0520487800000000, 0.0052151900000000, -0.0308329100000000 ] - [ 0.0001848600000000, -0.0003075600000000, -0.0005789000000000 ] - [ 0.0000390700000000, 0.0004186000000000, -0.0005003100000000 ] - [ -0.0009940700000000, 0.0004441600000000, 0.0009475600000000 ] - [ 0.0005267100000000, -0.0004289300000000, 0.0002200100000000 ] - [ 0.0004379800000000, -0.0002165300000000, -0.0001162600000000 ] - [ -0.0404972800000000, 0.0034793400000000, -0.0286046300000000 ] - [ 0.0006097700000000, 0.0005907900000000, 0.0003825600000000 ] - [ 0.0007536300000000, -0.0000972300000000, 0.0001717000000000 ] - [ -0.0005795000000000, -0.0000846800000000, 0.0001114100000000 ] - [ -0.0016452600000000, -0.0007425300000000, 0.0009762400000000 ] - [ 0.0006748800000000, 0.0000813600000000, 0.0002290100000000 ] - [ -0.0000716300000000, -0.0002139400000000, 0.0007106400000000 ] - [ 0.0009607200000000, -0.0002353600000000, 0.0001650200000000 ] - [ -0.0271129300000000, -0.0470134100000000, -0.0559797100000000 ] - [ -0.0002240300000000, 0.0002494800000000, 0.0005605100000000 ] - [ 0.0108531400000000, 0.0258236600000000, -0.0121196100000000 ] - [ -0.0006174700000000, -0.0005067600000000, -0.0004149900000000 ] - [ -0.0003998000000000, 0.0004227200000000, -0.0005313000000000 ] - [ 0.0000732800000000, 0.0012794500000000, 0.0001644600000000 ] - [ -0.0041504200000000, 0.0151580900000000, -0.0747204700000000 ] - [ 0.0003594400000000, 0.0002704900000000, -0.0002919800000000 ] - [ -0.0003669400000000, -0.0005109700000000, -0.0000724900000000 ] - [ -0.0003778900000000, -0.0000325800000000, 0.0005279300000000 ] - [ -0.0000519200000000, -0.0001411700000000, -0.0001426500000000 ] - [ 0.0105570400000000, -0.0089249100000000, -0.0138351600000000 ] - [ 0.0000193300000000, -0.0003702100000000, -0.0005221100000000 ] - [ -0.0000641600000000, 0.0002721900000000, -0.0001805200000000 ] - [ -0.0021995500000000, 0.0001507400000000, -0.0017622300000000 ] - [ 0.0004049200000000, 0.0004518600000000, -0.0004226700000000 ] - [ 0.0003454300000000, -0.0004403000000000, -0.0004570900000000 ] - [ -0.0005037100000000, -0.0004732000000000, 0.0000402300000000 ] - [ 0.0000488200000000, 0.0005279000000000, -0.0020375400000000 ] - [ 0.0001972900000000, 0.0000055600000000, -0.0002802200000000 ] - [ 0.0001803200000000, 0.0000787000000000, -0.0001305400000000 ] - [ -0.0001988200000000, -0.0000926100000000, 0.0002911900000000 ] - [ 0.0003512100000000, -0.0000873900000000, -0.0001231700000000 ] - [ -0.0002747400000000, -0.0002796500000000, -0.0003721900000000 ] - [ -0.0003279900000000, 0.0001187200000000, 0.0001339800000000 ] - [ 0.0005351800000000, 0.0003360900000000, 0.0001769400000000 ] - [ -0.0001590700000000, -0.0020582300000000, -0.0012179900000000 ] - [ 0.0000481700000000, -0.0007639900000000, -0.0001553600000000 ] - [ -0.0001727200000000, 0.0005991000000000, -0.0002457700000000 ] - [ -0.0005540500000000, 0.0027747200000000, -0.0008106700000000 ] - [ -0.0004601500000000, 0.0002139500000000, 0.0003163600000000 ] - [ 0.0004451600000000, 0.0001211300000000, -0.0006802100000000 ] - [ 0.0027365500000000, 0.0006688300000000, -0.0013947400000000 ] - [ -0.0003663200000000, -0.0002686600000000, 0.0002785100000000 ] - [ -0.0001766400000000, -0.0003847300000000, -0.0000754100000000 ] - [ 0.0000632500000000, -0.0001463700000000, 0.0002713000000000 ] - [ 0.0000845300000000, 0.0001332500000000, 0.0001982000000000 ] - [ -0.0001232000000000, -0.0001131200000000, -0.0019298900000000 ] - [ -0.0002734500000000, 0.0004837300000000, 0.0004624100000000 ] - [ 0.0006238400000000, 0.0004846900000000, 0.0000227500000000 ] - [ 0.0113182500000000, 0.0224910700000000, -0.0755803600000000 ] - [ -0.0003518300000000, -0.0004614800000000, 0.0004634200000000 ] - [ -0.0005462500000000, 0.0002249000000000, 0.0003945500000000 ] - [ 0.0000672500000000, -0.0001603800000000, -0.0003751200000000 ] - [ 0.0057089300000000, -0.0067253600000000, -0.0143795500000000 ] - [ -0.0001432300000000, 0.0000153300000000, 0.0002608900000000 ] - [ 0.0003269800000000, 0.0000365700000000, -0.0000137100000000 ] - [ 0.0054347900000000, 0.0037655400000000, 0.0025358700000000 ] - [ -0.0002159600000000, 0.0001245600000000, 0.0001951600000000 ] - [ -0.0126485200000000, -0.0105234200000000, -0.0248586300000000 ] - [ 0.0000532500000000, -0.0006930300000000, 0.0002186300000000 ] - [ -0.0019321400000000, 0.0000452300000000, -0.0007760400000000 ] - [ 0.0019737000000000, 0.0002253400000000, -0.0016295900000000 ] - [ 0.0000711900000000, 0.0007108200000000, 0.0001993700000000 ] - [ -0.0001684600000000, -0.0003993700000000, -0.0000266000000000 ] - [ -0.0001031200000000, 0.0004539500000000, -0.0000588700000000 ] - [ -0.0000971500000000, 0.0003536800000000, 0.0000455700000000 ] - [ 0.0000479200000000, -0.0003934100000000, 0.0000618900000000 ] - [ -0.0003391200000000, -0.0002031700000000, 0.0001764900000000 ] - [ 0.0003145800000000, -0.0001317700000000, -0.0000825000000000 ] - [ 0.0003247000000000, 0.0001372400000000, 0.0000171300000000 ] - [ -0.0002505800000000, 0.0000634600000000, -0.0004022400000000 ] - [ -0.0006071200000000, 0.0003632900000000, 0.0003048000000000 ] - [ -0.0000110600000000, 0.0006275700000000, -0.0000576700000000 ] - [ -0.0000598400000000, 0.0004234500000000, 0.0001569200000000 ] - [ 0.0012317800000000, -0.0008394300000000, -0.0008071200000000 ] - [ -0.0003237300000000, -0.0001398700000000, 0.0000280400000000 ] - [ 0.0002123700000000, 0.0001141200000000, 0.0004890800000000 ] - [ 0.0003867500000000, -0.0000092200000000, -0.0006837300000000 ] - [ -0.0001609000000000, 0.0004111500000000, -0.0000310700000000 ]- atom: 5 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0870871600000000, 0.0042153100000000, -0.0485320500000000 ] - [ -0.0005756800000000, -0.0001904100000000, -0.0002372900000000 ] - [ -0.0007052100000000, 0.0001064200000000, -0.0000700300000000 ] - [ 0.0005102400000000, 0.0000939700000000, 0.0010427300000000 ] - [ -0.3250543900000000, -0.0078767300000000, -0.0005969600000000 ] - [ 0.0003250500000000, -0.0001512500000000, -0.0006863200000000 ] - [ 0.0004216600000000, 0.0002545700000000, -0.0004826600000000 ] - [ 0.0012183500000000, 0.0003005200000000, 0.0001717800000000 ] - [ 0.0007008000000000, -0.0004962700000000, 0.0004612300000000 ] - [ -0.0030189100000000, -0.0038756100000000, 0.0018536200000000 ] - [ 0.0057574300000000, -0.0044659000000000, 0.0027472700000000 ] - [ 0.0005613800000000, 0.0005984800000000, 0.0004419300000000 ] - [ 0.0008259100000000, -0.0004607400000000, 0.0001243300000000 ] - [ -0.0005353000000000, -0.0001908100000000, -0.0010136900000000 ] - [ 0.0216203600000000, 0.0283592700000000, 0.0282713400000000 ] - [ 0.0007176000000000, 0.0000326900000000, 0.0002681300000000 ] - [ -0.0001474000000000, -0.0002138500000000, 0.0004594800000000 ] - [ -0.0010910300000000, 0.0001421400000000, 0.0002312000000000 ] - [ -0.0001968700000000, -0.0006968500000000, -0.0028202700000000 ] - [ -0.0000605500000000, 0.0003082600000000, 0.0006938200000000 ] - [ 0.0352531800000000, -0.0431566600000000, -0.0147055200000000 ] - [ -0.0005513800000000, -0.0004938300000000, -0.0003803700000000 ] - [ -0.0005882300000000, 0.0005924800000000, -0.0003318900000000 ] - [ 0.0004910100000000, 0.0002586400000000, 0.0004522100000000 ] - [ 0.0018859200000000, 0.0007322200000000, -0.0001742700000000 ] - [ 0.0004168900000000, 0.0002733800000000, -0.0003237400000000 ] - [ 0.0003402100000000, -0.0002489100000000, -0.0003514100000000 ] - [ 0.0001188800000000, -0.0001779200000000, 0.0003674100000000 ] - [ -0.0000991800000000, -0.0001468800000000, -0.0001854900000000 ] - [ 0.0185537900000000, 0.0176077900000000, -0.0042406500000000 ] - [ 0.0005578900000000, 0.0003737300000000, 0.0008484500000000 ] - [ -0.0000889300000000, 0.0001567000000000, -0.0002041500000000 ] - [ -0.0004008100000000, 0.0013104300000000, 0.0022471700000000 ] - [ 0.0002618500000000, 0.0004273300000000, -0.0005171100000000 ] - [ 0.0003073800000000, -0.0004414100000000, -0.0004825400000000 ] - [ -0.0001193100000000, 0.0003313100000000, 0.0004087700000000 ] - [ 0.0453932600000000, -0.0044612800000000, 0.0289813800000000 ] - [ 0.0000897600000000, 0.0000064800000000, -0.0003507600000000 ] - [ -0.0000637600000000, 0.0002015600000000, -0.0002868800000000 ] - [ -0.0001140000000000, 0.0000724400000000, -0.0000043800000000 ] - [ 0.0002758100000000, -0.0000634900000000, -0.0001308500000000 ] - [ -0.0001938700000000, 0.0007151600000000, -0.0007963200000000 ] - [ -0.0004061300000000, -0.0002126600000000, 0.0001550700000000 ] - [ 0.0009396600000000, 0.0001179700000000, 0.0003485600000000 ] - [ 0.0282157700000000, -0.0021311700000000, -0.0139973200000000 ] - [ -0.0005163900000000, -0.0005241500000000, -0.0000597100000000 ] - [ -0.0002835800000000, 0.0006155500000000, -0.0002569200000000 ] - [ 0.0001618100000000, -0.0003094400000000, 0.0011216400000000 ] - [ -0.0003456000000000, 0.0002681600000000, 0.0002754200000000 ] - [ 0.0002338700000000, 0.0004205100000000, 0.0000084100000000 ] - [ 0.0163556100000000, 0.0196337000000000, -0.0000388600000000 ] - [ -0.0004273000000000, -0.0002691800000000, 0.0003197300000000 ] - [ 0.0003541200000000, -0.0001155000000000, -0.0001515200000000 ] - [ -0.0000128800000000, -0.0001095900000000, 0.0002496100000000 ] - [ 0.0000613700000000, 0.0001305700000000, 0.0001764300000000 ] - [ 0.0017426700000000, -0.0002872000000000, 0.0014730000000000 ] - [ -0.0004946100000000, 0.0004533600000000, 0.0003813700000000 ] - [ 0.0003629400000000, 0.0004290600000000, -0.0004601000000000 ] - [ 0.0544855700000000, -0.0096603200000000, 0.0187680800000000 ] - [ -0.0005958700000000, -0.0005149400000000, 0.0003406500000000 ] - [ -0.0001923100000000, 0.0000092400000000, 0.0002756800000000 ] - [ 0.0005083600000000, 0.0003433900000000, -0.0002786900000000 ] - [ 0.0034599800000000, -0.0004103900000000, -0.0012881300000000 ] - [ -0.0004063000000000, 0.0000290200000000, 0.0000965400000000 ] - [ 0.0003386000000000, -0.0003161800000000, -0.0001795900000000 ] - [ -0.0000806400000000, -0.0004605100000000, -0.0002473000000000 ] - [ -0.0005494300000000, -0.0001485700000000, -0.0001299500000000 ] - [ 0.0020034500000000, 0.0022636800000000, 0.0015606700000000 ] - [ -0.0001003100000000, -0.0004630100000000, 0.0001417500000000 ] - [ -0.0002870300000000, -0.0006750400000000, -0.0006997200000000 ] - [ 0.0005000400000000, 0.0010603900000000, -0.0004014900000000 ] - [ 0.0002096400000000, 0.0005694200000000, 0.0001810700000000 ] - [ 0.0007501200000000, -0.0011901800000000, -0.0005801100000000 ] - [ 0.0002467600000000, 0.0004742500000000, 0.0007123700000000 ] - [ 0.0018581500000000, 0.0014779800000000, -0.0012309300000000 ] - [ -0.0001167100000000, -0.0004161000000000, -0.0000458100000000 ] - [ -0.0001623500000000, 0.0000342800000000, -0.0003027400000000 ] - [ 0.0009406600000000, 0.0001953700000000, -0.0000007800000000 ] - [ 0.0004156500000000, 0.0001563200000000, -0.0000214100000000 ] - [ -0.0012657400000000, 0.0003042200000000, 0.0002089900000000 ] - [ 0.0010948300000000, -0.0011257100000000, -0.0000424200000000 ] - [ -0.0000106000000000, 0.0005476800000000, 0.0000248100000000 ] - [ 0.0001018500000000, 0.0002595200000000, -0.0000495200000000 ] - [ -0.0000205300000000, -0.0002860500000000, 0.0001462000000000 ] - [ -0.0003563000000000, -0.0001328000000000, 0.0000312900000000 ] - [ 0.0012646600000000, -0.0000350600000000, -0.0002349300000000 ] - [ 0.0003024400000000, 0.0001850100000000, 0.0016762200000000 ] - [ -0.0003649200000000, 0.0001525700000000, -0.0001422500000000 ]- atom: 5 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ -0.0887430200000000, -0.0044317700000000, 0.0506769300000000 ] - [ -0.0008435200000000, 0.0000366000000000, -0.0002815500000000 ] - [ -0.0007694900000000, 0.0000484600000000, -0.0004217600000000 ] - [ 0.0009304400000000, 0.0000611000000000, -0.0005145300000000 ] - [ 0.3298475900000000, 0.0061142200000000, -0.0003145000000000 ] - [ 0.0000626300000000, -0.0003651800000000, -0.0004876400000000 ] - [ -0.0000112800000000, 0.0002740300000000, -0.0007090400000000 ] - [ -0.0016220800000000, 0.0002373300000000, 0.0010087800000000 ] - [ 0.0004504800000000, -0.0004913200000000, 0.0003450600000000 ] - [ 0.0019741900000000, 0.0028143800000000, -0.0026611600000000 ] - [ -0.0067148400000000, 0.0053787600000000, -0.0033958900000000 ] - [ 0.0006139500000000, 0.0004600400000000, 0.0003532200000000 ] - [ 0.0006082400000000, 0.0003132600000000, 0.0004127800000000 ] - [ -0.0008949500000000, 0.0000422200000000, 0.0004992100000000 ] - [ -0.0228035000000000, -0.0279071600000000, -0.0282697900000000 ] - [ 0.0007090600000000, 0.0001521200000000, 0.0002402500000000 ] - [ -0.0002492900000000, -0.0002977500000000, 0.0007541400000000 ] - [ 0.0014572900000000, -0.0006440000000000, -0.0013980400000000 ] - [ 0.0006275300000000, 0.0012062100000000, 0.0016441200000000 ] - [ -0.0003315500000000, 0.0002398400000000, 0.0004742400000000 ] - [ -0.0350972900000000, 0.0431739200000000, 0.0157587100000000 ] - [ -0.0006245000000000, -0.0005527100000000, -0.0004428700000000 ] - [ -0.0005565600000000, 0.0004083200000000, -0.0004138400000000 ] - [ 0.0006658700000000, 0.0007836400000000, 0.0003536100000000 ] - [ -0.0026077100000000, -0.0002008600000000, 0.0006950200000000 ] - [ 0.0003659100000000, 0.0002702100000000, -0.0002970200000000 ] - [ 0.0004147300000000, -0.0002346200000000, -0.0002603600000000 ] - [ -0.0008796000000000, -0.0003474800000000, 0.0002297000000000 ] - [ -0.0000288100000000, -0.0001548400000000, -0.0001942100000000 ] - [ -0.0184839000000000, -0.0184480100000000, 0.0048335200000000 ] - [ -0.0004140900000000, -0.0001198200000000, -0.0004321700000000 ] - [ -0.0000636100000000, 0.0000937300000000, -0.0002136000000000 ] - [ -0.0004336600000000, -0.0004160700000000, -0.0014090300000000 ] - [ 0.0005521900000000, 0.0005135400000000, -0.0003358700000000 ] - [ 0.0004502500000000, -0.0004397500000000, -0.0004221600000000 ] - [ -0.0006963500000000, -0.0012222800000000, 0.0004485600000000 ] - [ -0.0440550000000000, 0.0041909600000000, -0.0269276100000000 ] - [ 0.0002537200000000, -0.0000025300000000, -0.0001312900000000 ] - [ 0.0004465200000000, -0.0001633700000000, -0.0002139200000000 ] - [ -0.0002446100000000, -0.0000480700000000, 0.0004931700000000 ] - [ 0.0003860200000000, -0.0000971000000000, -0.0000901800000000 ] - [ -0.0005050000000000, -0.0008775600000000, 0.0010231900000000 ] - [ -0.0002111600000000, 0.0003493400000000, 0.0000875500000000 ] - [ -0.0003148100000000, 0.0000198400000000, -0.0006040200000000 ] - [ -0.0278718600000000, 0.0007547800000000, 0.0139800400000000 ] - [ 0.0002054200000000, -0.0006911700000000, -0.0003361200000000 ] - [ -0.0000243600000000, 0.0005647200000000, -0.0001798700000000 ] - [ 0.0001058900000000, 0.0016075400000000, -0.0007698600000000 ] - [ -0.0003768500000000, 0.0002658700000000, 0.0003240500000000 ] - [ 0.0005412600000000, 0.0001052000000000, -0.0006502700000000 ] - [ -0.0155179900000000, -0.0199833800000000, -0.0006038000000000 ] - [ -0.0003467100000000, -0.0002685300000000, 0.0002556600000000 ] - [ -0.0005056100000000, -0.0001809200000000, -0.0002336300000000 ] - [ 0.0001580700000000, -0.0002117000000000, 0.0001843800000000 ] - [ 0.0000643200000000, 0.0001070600000000, 0.0002162900000000 ] - [ -0.0018393800000000, 0.0004895500000000, -0.0019504700000000 ] - [ -0.0003285800000000, 0.0004296500000000, 0.0004582500000000 ] - [ 0.0004428900000000, 0.0004896500000000, -0.0004096100000000 ] - [ -0.0570486900000000, 0.0095939300000000, -0.0211920700000000 ] - [ -0.0002010700000000, -0.0003991700000000, 0.0005350700000000 ] - [ -0.0001484300000000, -0.0000546200000000, 0.0002608600000000 ] - [ -0.0001501000000000, -0.0003570800000000, -0.0001961200000000 ] - [ -0.0031913600000000, 0.0004797400000000, 0.0008983000000000 ] - [ 0.0000387500000000, -0.0000070700000000, 0.0003832200000000 ] - [ 0.0003117100000000, 0.0001603400000000, -0.0000577100000000 ] - [ -0.0005491700000000, 0.0002981800000000, 0.0004788200000000 ] - [ -0.0000746300000000, 0.0002957500000000, 0.0003745200000000 ] - [ -0.0013928000000000, -0.0021176600000000, -0.0017676100000000 ] - [ 0.0004399000000000, -0.0007544700000000, 0.0002161400000000 ] - [ 0.0000174800000000, -0.0005272600000000, 0.0002809000000000 ] - [ -0.0008132300000000, 0.0001392600000000, -0.0000267800000000 ] - [ 0.0000830000000000, 0.0006470600000000, 0.0002342200000000 ] - [ -0.0007366600000000, 0.0001773000000000, 0.0005835400000000 ] - [ -0.0002618100000000, 0.0005386600000000, -0.0007316500000000 ] - [ -0.0018107900000000, -0.0007594500000000, 0.0012137500000000 ] - [ 0.0001162300000000, -0.0002769600000000, 0.0000478800000000 ] - [ -0.0005756500000000, -0.0003264600000000, 0.0002902000000000 ] - [ -0.0001941000000000, -0.0004908500000000, 0.0000057700000000 ] - [ 0.0003317900000000, 0.0001346600000000, 0.0000226000000000 ] - [ 0.0005171700000000, -0.0000105400000000, -0.0002185900000000 ] - [ -0.0010932400000000, 0.0001112100000000, 0.0000470900000000 ] - [ 0.0000035200000000, 0.0004568400000000, -0.0000322300000000 ] - [ -0.0000925900000000, 0.0004290200000000, 0.0000426500000000 ] - [ 0.0000085900000000, -0.0004005300000000, -0.0001429000000000 ] - [ -0.0003895300000000, -0.0001637700000000, -0.0000357400000000 ] - [ -0.0005187500000000, -0.0002676000000000, 0.0002397200000000 ] - [ 0.0004388200000000, 0.0001079300000000, -0.0016690300000000 ] - [ -0.0003873000000000, 0.0001454400000000, 0.0001404000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0178955300000000, 0.0067785700000000, -0.0045782000000000 ] - [ -0.0007564100000000, 0.0000119200000000, -0.0003136700000000 ] - [ -0.0007163200000000, 0.0000425300000000, -0.0003979600000000 ] - [ 0.0012931400000000, 0.0002900500000000, 0.0004459300000000 ] - [ -0.0065246900000000, -0.3279512600000000, 0.0023852100000000 ] - [ 0.0000832200000000, -0.0003693600000000, -0.0006477300000000 ] - [ 0.0001869600000000, 0.0003800100000000, -0.0005374000000000 ] - [ -0.0002200600000000, -0.0006121500000000, 0.0005515800000000 ] - [ 0.0005192200000000, -0.0002989100000000, 0.0003057300000000 ] - [ -0.0044877700000000, 0.0052072600000000, 0.0016746800000000 ] - [ -0.0023050300000000, 0.0160807600000000, -0.0327328000000000 ] - [ 0.0005370200000000, 0.0006769400000000, 0.0005645500000000 ] - [ 0.0009610800000000, -0.0003065500000000, 0.0002458200000000 ] - [ -0.0005946300000000, 0.0000449800000000, -0.0002299400000000 ] - [ 0.0139989800000000, 0.0484140500000000, 0.0486301900000000 ] - [ 0.0006493300000000, -0.0000199100000000, 0.0002183400000000 ] - [ -0.0001606900000000, -0.0002988300000000, 0.0007423000000000 ] - [ -0.0002054300000000, -0.0009876700000000, -0.0004807700000000 ] - [ -0.0007423700000000, -0.0001090300000000, 0.0016990600000000 ] - [ -0.0002358400000000, 0.0002572800000000, 0.0005837600000000 ] - [ -0.0448086800000000, 0.0723104700000000, 0.0231150300000000 ] - [ -0.0005683400000000, -0.0004775200000000, -0.0004237000000000 ] - [ -0.0005366400000000, 0.0005185000000000, -0.0004303300000000 ] - [ 0.0001231600000000, 0.0008041200000000, -0.0000738000000000 ] - [ 0.0005543500000000, 0.0003083900000000, -0.0016023700000000 ] - [ 0.0004792600000000, 0.0002650000000000, -0.0003511000000000 ] - [ 0.0003629400000000, -0.0002515000000000, -0.0002677400000000 ] - [ 0.0001669600000000, -0.0001451900000000, 0.0000187000000000 ] - [ -0.0000408400000000, -0.0001459500000000, -0.0001836800000000 ] - [ 0.0238789800000000, 0.0639715400000000, -0.0221292600000000 ] - [ -0.0003300800000000, -0.0003859900000000, 0.0003295700000000 ] - [ -0.0000894000000000, 0.0001089300000000, -0.0001999800000000 ] - [ 0.0005953900000000, 0.0020557000000000, 0.0004487100000000 ] - [ 0.0004409000000000, 0.0004850100000000, -0.0003712800000000 ] - [ 0.0003823500000000, -0.0004704600000000, -0.0004221800000000 ] - [ -0.0000024800000000, -0.0006053700000000, 0.0003220900000000 ] - [ -0.0071424400000000, 0.0112749400000000, -0.0095061600000000 ] - [ 0.0004884600000000, 0.0000032100000000, -0.0003538100000000 ] - [ 0.0001454100000000, 0.0002259700000000, -0.0001414600000000 ] - [ -0.0001135000000000, -0.0002210300000000, 0.0005273200000000 ] - [ 0.0004412100000000, -0.0001187500000000, 0.0000181300000000 ] - [ 0.0018437700000000, 0.0019787100000000, 0.0005636500000000 ] - [ -0.0001823800000000, 0.0003666900000000, 0.0002139500000000 ] - [ -0.0004918600000000, -0.0007179000000000, 0.0000600600000000 ] - [ 0.0015881600000000, 0.0205457300000000, 0.0098305600000000 ] - [ 0.0000831900000000, -0.0006404500000000, -0.0001829100000000 ] - [ -0.0001448800000000, 0.0005522800000000, -0.0002990400000000 ] - [ -0.0010651800000000, 0.0019749100000000, -0.0004251000000000 ] - [ -0.0003861800000000, 0.0002635300000000, 0.0002046900000000 ] - [ 0.0003643100000000, 0.0005740000000000, -0.0001962400000000 ] - [ 0.0137266800000000, 0.0583954600000000, -0.0098049000000000 ] - [ -0.0004013100000000, -0.0002733900000000, 0.0002737100000000 ] - [ -0.0000498800000000, -0.0002718000000000, 0.0000285300000000 ] - [ 0.0000379400000000, -0.0000237700000000, 0.0002243500000000 ] - [ 0.0001088400000000, 0.0001375500000000, 0.0001939100000000 ] - [ -0.0008432000000000, 0.0030519600000000, 0.0005186500000000 ] - [ -0.0004144000000000, 0.0004436000000000, 0.0004154500000000 ] - [ 0.0005739300000000, 0.0003810400000000, -0.0003314800000000 ] - [ -0.0075722100000000, 0.0114860100000000, -0.0067465700000000 ] - [ -0.0003043900000000, -0.0004342300000000, 0.0004850100000000 ] - [ -0.0003733100000000, 0.0000182700000000, 0.0002090000000000 ] - [ 0.0001384900000000, -0.0000112600000000, -0.0003188600000000 ] - [ -0.0002979300000000, 0.0032148900000000, -0.0005379900000000 ] - [ -0.0001249600000000, -0.0000106300000000, 0.0002638800000000 ] - [ 0.0005906600000000, -0.0002290200000000, -0.0001241000000000 ] - [ -0.0001636100000000, 0.0003048100000000, -0.0005176200000000 ] - [ -0.0001922600000000, 0.0001047700000000, 0.0003542100000000 ] - [ -0.0002017900000000, -0.0007835100000000, 0.0010755000000000 ] - [ 0.0001655900000000, -0.0006142000000000, 0.0001988100000000 ] - [ -0.0001879000000000, 0.0011294400000000, -0.0011108100000000 ] - [ 0.0002286000000000, 0.0004818700000000, -0.0001691900000000 ] - [ 0.0001446600000000, 0.0006264700000000, 0.0001471700000000 ] - [ -0.0008415200000000, 0.0002108000000000, -0.0000139800000000 ] - [ -0.0000540600000000, 0.0008217700000000, 0.0001545300000000 ] - [ 0.0014729300000000, -0.0008853600000000, -0.0008306100000000 ] - [ -0.0000757000000000, -0.0004485000000000, 0.0000247700000000 ] - [ -0.0003467200000000, -0.0007108500000000, 0.0000213100000000 ] - [ 0.0001010500000000, -0.0001307200000000, 0.0000722200000000 ] - [ 0.0002964300000000, 0.0001608800000000, 0.0000224100000000 ] - [ -0.0011034800000000, 0.0015867400000000, 0.0000100500000000 ] - [ -0.0001233400000000, -0.0000301600000000, -0.0000008900000000 ] - [ 0.0001503200000000, 0.0004788400000000, -0.0001479300000000 ] - [ 0.0001317700000000, 0.0001979200000000, 0.0000434200000000 ] - [ 0.0000099700000000, -0.0002963600000000, -0.0000291300000000 ] - [ -0.0003890300000000, -0.0001918900000000, -0.0000015000000000 ] - [ 0.0007297100000000, 0.0000501500000000, 0.0000162300000000 ] - [ 0.0006355100000000, 0.0002436500000000, -0.0003199200000000 ] - [ -0.0003932400000000, 0.0001805600000000, 0.0000314100000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0165562400000000, -0.0070827700000000, 0.0052018700000000 ] - [ -0.0006591700000000, -0.0001635200000000, -0.0002094700000000 ] - [ -0.0007646900000000, 0.0001140400000000, -0.0000823300000000 ] - [ 0.0001481000000000, -0.0001494200000000, 0.0000885600000000 ] - [ 0.0074946500000000, 0.3234551700000000, -0.0037686600000000 ] - [ 0.0003089400000000, -0.0001446300000000, -0.0005320900000000 ] - [ 0.0002182100000000, 0.0001412800000000, -0.0006585900000000 ] - [ -0.0001636300000000, 0.0011486700000000, 0.0006404500000000 ] - [ 0.0006234100000000, -0.0006893100000000, 0.0005095000000000 ] - [ 0.0033931300000000, -0.0061695100000000, -0.0026155700000000 ] - [ 0.0010267800000000, -0.0153376600000000, 0.0323810800000000 ] - [ 0.0006415200000000, 0.0003874400000000, 0.0002291300000000 ] - [ 0.0004857000000000, 0.0001692000000000, 0.0003125700000000 ] - [ -0.0008505900000000, -0.0001851700000000, -0.0002830700000000 ] - [ -0.0149643100000000, -0.0468542200000000, -0.0479828400000000 ] - [ 0.0007710600000000, 0.0002125300000000, 0.0002837700000000 ] - [ -0.0002501600000000, -0.0002152900000000, 0.0004785900000000 ] - [ 0.0005852300000000, 0.0004897700000000, -0.0007054300000000 ] - [ 0.0011632800000000, 0.0005972300000000, -0.0028946900000000 ] - [ -0.0001656600000000, 0.0002896100000000, 0.0005974600000000 ] - [ 0.0445546600000000, -0.0707322400000000, -0.0215210700000000 ] - [ -0.0006121400000000, -0.0005771400000000, -0.0004133600000000 ] - [ -0.0006207400000000, 0.0004861800000000, -0.0003111000000000 ] - [ 0.0010387200000000, 0.0002664400000000, 0.0008821600000000 ] - [ -0.0012821200000000, 0.0002285400000000, 0.0022127000000000 ] - [ 0.0002979900000000, 0.0002829500000000, -0.0002600400000000 ] - [ 0.0003868000000000, -0.0002354800000000, -0.0003420300000000 ] - [ -0.0009359200000000, -0.0004219800000000, 0.0005754800000000 ] - [ -0.0000826200000000, -0.0001519500000000, -0.0001993900000000 ] - [ -0.0250745700000000, -0.0668936500000000, 0.0238567100000000 ] - [ 0.0004769800000000, 0.0006126900000000, 0.0000803800000000 ] - [ -0.0000708700000000, 0.0001306100000000, -0.0002188800000000 ] - [ -0.0014046600000000, -0.0012168200000000, 0.0002157900000000 ] - [ 0.0003753900000000, 0.0004535400000000, -0.0004737500000000 ] - [ 0.0003831800000000, -0.0004093200000000, -0.0004708100000000 ] - [ -0.0008146900000000, -0.0002967300000000, 0.0005545200000000 ] - [ 0.0067953200000000, -0.0113143700000000, 0.0099813300000000 ] - [ -0.0001442200000000, 0.0000069900000000, -0.0001314200000000 ] - [ 0.0002528300000000, -0.0001963700000000, -0.0003557600000000 ] - [ -0.0002527900000000, 0.0002381600000000, -0.0000369500000000 ] - [ 0.0002250600000000, -0.0000476600000000, -0.0002369700000000 ] - [ -0.0025054300000000, -0.0021655900000000, -0.0003161000000000 ] - [ -0.0004334300000000, -0.0002300200000000, 0.0000328500000000 ] - [ 0.0010982900000000, 0.0008477000000000, -0.0003046000000000 ] - [ -0.0011635600000000, -0.0220359200000000, -0.0097353100000000 ] - [ -0.0003834400000000, -0.0005785900000000, -0.0002101300000000 ] - [ -0.0001508500000000, 0.0006241300000000, -0.0001514800000000 ] - [ 0.0013269100000000, -0.0006931000000000, 0.0008058600000000 ] - [ -0.0003260400000000, 0.0002826100000000, 0.0003844000000000 ] - [ 0.0004116400000000, -0.0000470900000000, -0.0004361400000000 ] - [ -0.0119376900000000, -0.0553869200000000, 0.0087588700000000 ] - [ -0.0003732400000000, -0.0002663800000000, 0.0002948600000000 ] - [ -0.0000908000000000, -0.0000189300000000, -0.0004089000000000 ] - [ 0.0001050700000000, -0.0002920000000000, 0.0002132800000000 ] - [ 0.0000132700000000, 0.0000905900000000, 0.0002010000000000 ] - [ 0.0006529500000000, -0.0027074700000000, -0.0008101900000000 ] - [ -0.0004206100000000, 0.0004331700000000, 0.0004153600000000 ] - [ 0.0002392900000000, 0.0005373700000000, -0.0005330700000000 ] - [ 0.0082446300000000, -0.0125291000000000, 0.0056867900000000 ] - [ -0.0004941300000000, -0.0004811500000000, 0.0003790200000000 ] - [ 0.0000289600000000, -0.0000690000000000, 0.0003288700000000 ] - [ 0.0002274000000000, 0.0000005400000000, -0.0001532400000000 ] - [ 0.0007564000000000, -0.0032341200000000, -0.0000305800000000 ] - [ -0.0002580900000000, 0.0000224400000000, 0.0002164500000000 ] - [ 0.0000570100000000, 0.0000728000000000, -0.0001101300000000 ] - [ -0.0004843300000000, -0.0004479400000000, 0.0007588700000000 ] - [ -0.0004393800000000, 0.0000426300000000, -0.0001153800000000 ] - [ 0.0008712400000000, 0.0009404000000000, -0.0013021400000000 ] - [ 0.0001660100000000, -0.0006094400000000, 0.0001574900000000 ] - [ -0.0001467500000000, -0.0023505300000000, 0.0006820600000000 ] - [ -0.0005363200000000, 0.0007080400000000, -0.0002721700000000 ] - [ 0.0001390700000000, 0.0005947100000000, 0.0002687700000000 ] - [ 0.0008420200000000, -0.0012097700000000, 0.0000174000000000 ] - [ 0.0000475400000000, 0.0001821300000000, -0.0001665900000000 ] - [ -0.0014425200000000, 0.0015613700000000, 0.0008262400000000 ] - [ 0.0000740100000000, -0.0002414700000000, -0.0000199000000000 ] - [ -0.0003949500000000, 0.0004099600000000, -0.0000332500000000 ] - [ 0.0006545500000000, -0.0001716600000000, -0.0000690100000000 ] - [ 0.0004498500000000, 0.0001284600000000, -0.0000216900000000 ] - [ 0.0003414000000000, -0.0012953200000000, -0.0000159400000000 ] - [ 0.0001239500000000, -0.0009820900000000, -0.0000020400000000 ] - [ -0.0001587400000000, 0.0005278900000000, 0.0001450900000000 ] - [ -0.0001186400000000, 0.0004943900000000, -0.0000504500000000 ] - [ -0.0000152100000000, -0.0004027200000000, 0.0000326800000000 ] - [ -0.0003557800000000, -0.0001044700000000, -0.0000014000000000 ] - [ 0.0000328500000000, -0.0003362500000000, -0.0000137200000000 ] - [ 0.0001098400000000, 0.0000472800000000, 0.0003325500000000 ] - [ -0.0003613800000000, 0.0001125700000000, -0.0000330000000000 ]- atom: 5 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ -0.0382171000000000, 0.0040385100000000, 0.0319480700000000 ] - [ -0.0006443400000000, -0.0000463100000000, -0.0002752700000000 ] - [ -0.0008060500000000, -0.0000209800000000, -0.0003663100000000 ] - [ 0.0010972400000000, -0.0000947400000000, -0.0000766000000000 ] - [ 0.0072587400000000, 0.0034369200000000, -0.3096467100000000 ] - [ 0.0000964500000000, -0.0001868100000000, -0.0007265800000000 ] - [ 0.0003069900000000, 0.0003053900000000, -0.0003858200000000 ] - [ -0.0006486300000000, 0.0002933300000000, 0.0016468400000000 ] - [ 0.0007038500000000, -0.0003931000000000, 0.0001652600000000 ] - [ 0.0023574300000000, 0.0029658200000000, 0.0056338700000000 ] - [ -0.0083330500000000, -0.0162859500000000, 0.0958135800000000 ] - [ 0.0004945300000000, 0.0007386100000000, 0.0006699300000000 ] - [ 0.0009364300000000, -0.0004985900000000, 0.0001936000000000 ] - [ -0.0013527600000000, -0.0003121700000000, -0.0010033800000000 ] - [ 0.0107749400000000, 0.0457097900000000, 0.0564866500000000 ] - [ 0.0005702400000000, -0.0000883800000000, 0.0002843400000000 ] - [ -0.0003588700000000, -0.0001134300000000, 0.0004055900000000 ] - [ 0.0010181100000000, -0.0003749800000000, -0.0019018900000000 ] - [ -0.0020432500000000, 0.0025970900000000, 0.0034804400000000 ] - [ -0.0000920400000000, 0.0002683400000000, 0.0007164000000000 ] - [ -0.0049000400000000, 0.0047363800000000, 0.0150937900000000 ] - [ -0.0006205100000000, -0.0005580000000000, -0.0004865000000000 ] - [ -0.0005836700000000, 0.0005334500000000, -0.0002501000000000 ] - [ 0.0012991000000000, 0.0007846400000000, 0.0009940800000000 ] - [ -0.0002451600000000, -0.0014459000000000, 0.0021158900000000 ] - [ 0.0005101000000000, 0.0002725100000000, -0.0003213000000000 ] - [ 0.0002634200000000, -0.0002893000000000, -0.0003014500000000 ] - [ -0.0008436900000000, -0.0003841200000000, 0.0010654600000000 ] - [ -0.0000967500000000, -0.0001161800000000, -0.0002054200000000 ] - [ -0.0022380600000000, -0.0142023600000000, 0.0125282100000000 ] - [ 0.0003228700000000, -0.0003800600000000, 0.0002019900000000 ] - [ -0.0000876600000000, 0.0002000800000000, -0.0001505300000000 ] - [ 0.0006727600000000, -0.0008871800000000, 0.0026414900000000 ] - [ 0.0002645000000000, 0.0004268600000000, -0.0005527500000000 ] - [ 0.0006436600000000, -0.0005191300000000, -0.0003022500000000 ] - [ -0.0007569100000000, -0.0015086000000000, 0.0005460800000000 ] - [ 0.0155448800000000, -0.0064215000000000, 0.0177082500000000 ] - [ 0.0005563500000000, 0.0000576400000000, -0.0004677700000000 ] - [ -0.0000875900000000, 0.0004809600000000, -0.0000949900000000 ] - [ -0.0003508900000000, -0.0001326700000000, -0.0006768500000000 ] - [ 0.0004212100000000, -0.0001146300000000, 0.0000076800000000 ] - [ 0.0004647300000000, -0.0000042400000000, 0.0000422700000000 ] - [ -0.0000424100000000, 0.0004115200000000, 0.0001329400000000 ] - [ 0.0002837700000000, 0.0000112600000000, -0.0001046700000000 ] - [ -0.0114730000000000, 0.0101094800000000, 0.0386932800000000 ] - [ 0.0000813700000000, -0.0006277100000000, 0.0002858100000000 ] - [ -0.0002084300000000, 0.0005566900000000, -0.0004605700000000 ] - [ 0.0019209700000000, -0.0006215900000000, -0.0008181800000000 ] - [ -0.0003525200000000, 0.0002323000000000, 0.0002989800000000 ] - [ 0.0004220600000000, 0.0002610900000000, -0.0001339800000000 ] - [ -0.0024859500000000, -0.0211455100000000, 0.0097474800000000 ] - [ -0.0003457200000000, -0.0003119800000000, 0.0002121900000000 ] - [ -0.0002684800000000, -0.0000625800000000, -0.0005655000000000 ] - [ -0.0001128200000000, -0.0001085700000000, 0.0002831300000000 ] - [ 0.0001493800000000, 0.0001585800000000, 0.0001975400000000 ] - [ 0.0014357300000000, 0.0013434800000000, 0.0000706900000000 ] - [ -0.0004973300000000, 0.0004735300000000, 0.0003425600000000 ] - [ 0.0001108100000000, 0.0004385700000000, -0.0007542600000000 ] - [ 0.0302224600000000, -0.0092510200000000, 0.0192253900000000 ] - [ -0.0003733700000000, -0.0004443100000000, 0.0004600300000000 ] - [ -0.0000788000000000, 0.0000006200000000, 0.0003433500000000 ] - [ -0.0000989300000000, -0.0002529600000000, -0.0002274200000000 ] - [ -0.0004847800000000, -0.0008329900000000, -0.0009413000000000 ] - [ -0.0002371000000000, -0.0000106900000000, 0.0001916500000000 ] - [ 0.0000132800000000, 0.0001715900000000, 0.0000423600000000 ] - [ 0.0001135000000000, -0.0002440800000000, 0.0001656200000000 ] - [ -0.0003715600000000, 0.0002345300000000, 0.0000335500000000 ] - [ 0.0003213800000000, -0.0000808400000000, -0.0009284000000000 ] - [ 0.0001011500000000, -0.0005369700000000, 0.0003303600000000 ] - [ -0.0005554300000000, -0.0008900400000000, 0.0012996200000000 ] - [ -0.0002279000000000, 0.0001731200000000, -0.0008583900000000 ] - [ 0.0001408000000000, 0.0006824300000000, 0.0000688700000000 ] - [ -0.0007283800000000, -0.0002788500000000, -0.0010304000000000 ] - [ 0.0000277300000000, 0.0003648700000000, 0.0012705500000000 ] - [ -0.0008379600000000, -0.0003654700000000, -0.0014396800000000 ] - [ -0.0001914800000000, -0.0003241900000000, 0.0003069900000000 ] - [ -0.0008536200000000, -0.0008722500000000, 0.0013266900000000 ] - [ 0.0014780200000000, 0.0003271800000000, -0.0000667900000000 ] - [ 0.0001441700000000, 0.0001748200000000, 0.0000614300000000 ] - [ 0.0001832000000000, -0.0007645200000000, -0.0001131100000000 ] - [ -0.0001650200000000, -0.0004728300000000, -0.0000039000000000 ] - [ 0.0000953300000000, 0.0005195200000000, 0.0001770800000000 ] - [ -0.0000372000000000, 0.0003614500000000, -0.0003060900000000 ] - [ 0.0000984400000000, -0.0003997200000000, 0.0000517200000000 ] - [ -0.0002726700000000, -0.0001200100000000, 0.0000056700000000 ] - [ -0.0000690800000000, -0.0005894400000000, 0.0006160500000000 ] - [ 0.0010972000000000, -0.0000686500000000, 0.0003370700000000 ] - [ -0.0003423600000000, 0.0002041500000000, -0.0000233400000000 ]- atom: 5 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0388408700000000, -0.0043501100000000, -0.0308781300000000 ] - [ -0.0008098700000000, -0.0000851200000000, -0.0002473100000000 ] - [ -0.0006842400000000, 0.0001637200000000, -0.0001329600000000 ] - [ 0.0003513200000000, 0.0002193600000000, 0.0006207000000000 ] - [ -0.0083391700000000, -0.0030694600000000, 0.3057570500000000 ] - [ 0.0003112100000000, -0.0003174500000000, -0.0004745300000000 ] - [ 0.0001100400000000, 0.0002066200000000, -0.0008348400000000 ] - [ 0.0002452300000000, 0.0002164900000000, -0.0004654700000000 ] - [ 0.0004564800000000, -0.0006275700000000, 0.0006550800000000 ] - [ -0.0034336800000000, -0.0040108600000000, -0.0065656000000000 ] - [ 0.0069525000000000, 0.0165905700000000, -0.0927090000000000 ] - [ 0.0006953100000000, 0.0003311400000000, 0.0001375800000000 ] - [ 0.0005276800000000, 0.0003749500000000, 0.0003422700000000 ] - [ -0.0001082500000000, 0.0001773600000000, 0.0004921300000000 ] - [ -0.0116326900000000, -0.0444123000000000, -0.0553210800000000 ] - [ 0.0008883100000000, 0.0002567400000000, 0.0002329100000000 ] - [ -0.0000552800000000, -0.0003861200000000, 0.0008393700000000 ] - [ -0.0006765300000000, -0.0001474900000000, 0.0007007000000000 ] - [ 0.0023988800000000, -0.0020286800000000, -0.0046139800000000 ] - [ -0.0003111200000000, 0.0002633900000000, 0.0004875100000000 ] - [ 0.0058621500000000, -0.0055479700000000, -0.0142200500000000 ] - [ -0.0005614600000000, -0.0005117200000000, -0.0003464400000000 ] - [ -0.0005754800000000, 0.0004960100000000, -0.0005199400000000 ] - [ -0.0001170200000000, 0.0002950700000000, -0.0001632800000000 ] - [ -0.0004936900000000, 0.0019626300000000, -0.0014710700000000 ] - [ 0.0002644900000000, 0.0002693000000000, -0.0002933200000000 ] - [ 0.0004834800000000, -0.0002002400000000, -0.0003059100000000 ] - [ 0.0000830300000000, -0.0001660100000000, -0.0004854900000000 ] - [ -0.0000345900000000, -0.0001754500000000, -0.0001771800000000 ] - [ 0.0021716900000000, 0.0133991500000000, -0.0121081800000000 ] - [ -0.0001748900000000, 0.0006363500000000, 0.0002186200000000 ] - [ -0.0000686800000000, 0.0000521200000000, -0.0002718100000000 ] - [ -0.0014943200000000, 0.0017905800000000, -0.0017046200000000 ] - [ 0.0005474300000000, 0.0005057800000000, -0.0003053100000000 ] - [ 0.0001176800000000, -0.0003579400000000, -0.0005916400000000 ] - [ -0.0000438600000000, 0.0006119700000000, 0.0003345900000000 ] - [ -0.0146909700000000, 0.0061937600000000, -0.0165160600000000 ] - [ -0.0002215100000000, -0.0000620200000000, -0.0000085500000000 ] - [ 0.0004669100000000, -0.0004406700000000, -0.0004078700000000 ] - [ -0.0000056900000000, 0.0001643100000000, 0.0011777000000000 ] - [ 0.0002282000000000, -0.0000438000000000, -0.0002327200000000 ] - [ -0.0011315000000000, -0.0001655900000000, 0.0001178500000000 ] - [ -0.0005747200000000, -0.0002785500000000, 0.0001116500000000 ] - [ 0.0003565800000000, 0.0001434100000000, -0.0001308400000000 ] - [ 0.0124153100000000, -0.0120945400000000, -0.0398261000000000 ] - [ -0.0004044100000000, -0.0005845000000000, -0.0006833800000000 ] - [ -0.0001045900000000, 0.0006267900000000, 0.0000300200000000 ] - [ -0.0015853900000000, 0.0017912400000000, 0.0012099700000000 ] - [ -0.0003690800000000, 0.0003023600000000, 0.0002965900000000 ] - [ 0.0003475400000000, 0.0002637700000000, -0.0004982200000000 ] - [ 0.0032211500000000, 0.0206008700000000, -0.0103958900000000 ] - [ -0.0004222700000000, -0.0002291500000000, 0.0003672600000000 ] - [ 0.0001179800000000, -0.0002141300000000, 0.0001689600000000 ] - [ 0.0002576000000000, -0.0002009100000000, 0.0001542800000000 ] - [ -0.0000217600000000, 0.0000810400000000, 0.0002016200000000 ] - [ -0.0015523300000000, -0.0010515400000000, -0.0004872200000000 ] - [ -0.0003231000000000, 0.0004056700000000, 0.0004989400000000 ] - [ 0.0006999900000000, 0.0004806600000000, -0.0001164800000000 ] - [ -0.0298152100000000, 0.0084904000000000, -0.0202372700000000 ] - [ -0.0004311700000000, -0.0004679200000000, 0.0004069700000000 ] - [ -0.0002642800000000, -0.0000500100000000, 0.0001894000000000 ] - [ 0.0004599200000000, 0.0002377900000000, -0.0002508900000000 ] - [ 0.0007956700000000, 0.0008739000000000, 0.0004553500000000 ] - [ -0.0001334400000000, 0.0000319500000000, 0.0002921400000000 ] - [ 0.0006296500000000, -0.0003305800000000, -0.0002805700000000 ] - [ -0.0007417400000000, 0.0001030100000000, 0.0000884300000000 ] - [ -0.0002511200000000, -0.0000883800000000, 0.0002092400000000 ] - [ 0.0003450000000000, 0.0002424300000000, 0.0006249400000000 ] - [ 0.0002395800000000, -0.0006828500000000, 0.0000329500000000 ] - [ 0.0002792200000000, -0.0002991000000000, -0.0017562500000000 ] - [ -0.0000853100000000, 0.0010114500000000, 0.0004202500000000 ] - [ 0.0001622800000000, 0.0005318100000000, 0.0003458200000000 ] - [ 0.0007595900000000, -0.0007525600000000, 0.0010448400000000 ] - [ -0.0000448000000000, 0.0006503900000000, -0.0012914500000000 ] - [ 0.0008595500000000, 0.0010850000000000, 0.0014506100000000 ] - [ 0.0001895800000000, -0.0003706200000000, -0.0003060400000000 ] - [ 0.0001153400000000, 0.0005890100000000, -0.0013661200000000 ] - [ -0.0007244500000000, -0.0006266800000000, 0.0000807700000000 ] - [ 0.0006055900000000, 0.0001210100000000, -0.0000544400000000 ] - [ -0.0009404200000000, 0.0010485000000000, 0.0001054600000000 ] - [ 0.0001776300000000, -0.0005480800000000, 0.0000096900000000 ] - [ -0.0001083200000000, 0.0004938400000000, -0.0001858400000000 ] - [ 0.0000520600000000, 0.0003323100000000, 0.0003023300000000 ] - [ -0.0001079500000000, -0.0002970700000000, -0.0000530900000000 ] - [ -0.0004730500000000, -0.0001827100000000, -0.0000157500000000 ] - [ 0.0008193200000000, 0.0002787800000000, -0.0006053400000000 ] - [ -0.0003570700000000, 0.0003657400000000, -0.0003163400000000 ] - [ -0.0004085600000000, 0.0000959600000000, 0.0000173200000000 ]- atom: 9 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0008026100000000, 0.0001553700000000, 0.0003299300000000 ] - [ -0.0007184700000000, -0.0004240800000000, -0.0012955300000000 ] - [ 0.0785900800000000, -0.0224905700000000, 0.0427482700000000 ] - [ 0.0007768000000000, 0.0000650300000000, 0.0002526900000000 ] - [ -0.0000735100000000, -0.0003144300000000, 0.0007405900000000 ] - [ -0.0023675700000000, 0.0037019600000000, 0.0022339800000000 ] - [ 0.0063590900000000, -0.0014126300000000, -0.0080672000000000 ] - [ -0.0002308900000000, 0.0003204100000000, 0.0004929400000000 ] - [ -0.3323502000000000, 0.0013023700000000, 0.0055833700000000 ] - [ -0.0004711200000000, -0.0005232200000000, -0.0003942600000000 ] - [ -0.0005238500000000, 0.0005509100000000, -0.0004001100000000 ] - [ 0.0014974500000000, 0.0004143800000000, 0.0006243300000000 ] - [ 0.0229086800000000, 0.0384620300000000, -0.0092154600000000 ] - [ -0.0007846100000000, 0.0000254300000000, -0.0002359200000000 ] - [ -0.0006859700000000, -0.0002059900000000, -0.0004188000000000 ] - [ 0.0008124000000000, -0.0000973000000000, 0.0007740400000000 ] - [ 0.0354896300000000, -0.0454465400000000, -0.0040788400000000 ] - [ 0.0002272700000000, -0.0002731200000000, -0.0006200300000000 ] - [ 0.0001936000000000, 0.0002906800000000, -0.0006003000000000 ] - [ -0.0002865900000000, 0.0007276000000000, 0.0012913700000000 ] - [ 0.0004659300000000, -0.0004781900000000, 0.0004972800000000 ] - [ -0.0007529000000000, 0.0001008300000000, -0.0015271100000000 ] - [ -0.0005072200000000, -0.0008704500000000, 0.0007640900000000 ] - [ 0.0006119700000000, 0.0005134600000000, 0.0003775600000000 ] - [ -0.0004199500000000, 0.0002596000000000, 0.0002140700000000 ] - [ 0.0008051100000000, 0.0002013400000000, -0.0003501500000000 ] - [ 0.0693036000000000, 0.0023474400000000, -0.0256976400000000 ] - [ -0.0004511700000000, -0.0002631100000000, 0.0003292100000000 ] - [ 0.0006534600000000, -0.0013073200000000, -0.0003676300000000 ] - [ 0.0000867400000000, -0.0001307000000000, 0.0001929300000000 ] - [ 0.0000595200000000, 0.0001053500000000, 0.0002059100000000 ] - [ 0.0167437000000000, 0.0091378200000000, 0.0082603800000000 ] - [ -0.0003912000000000, 0.0004437700000000, 0.0003995000000000 ] - [ 0.0002155500000000, 0.0005602200000000, -0.0008737600000000 ] - [ 0.0165948900000000, 0.0152799700000000, 0.0083757100000000 ] - [ -0.0004808700000000, -0.0004694400000000, 0.0003928700000000 ] - [ -0.0004336400000000, 0.0002200500000000, 0.0002638300000000 ] - [ 0.0001044200000000, 0.0001490600000000, 0.0000559800000000 ] - [ 0.0479079700000000, 0.0106662800000000, -0.0254492400000000 ] - [ -0.0002915000000000, 0.0000156900000000, 0.0002694700000000 ] - [ 0.0003416400000000, -0.0001199300000000, 0.0000773500000000 ] - [ -0.0003263100000000, 0.0003588800000000, -0.0004628200000000 ] - [ -0.0002560000000000, 0.0000407300000000, 0.0001736800000000 ] - [ 0.0012093800000000, -0.0001995400000000, 0.0018016800000000 ] - [ 0.0000946400000000, -0.0005288200000000, 0.0001601700000000 ] - [ 0.0256497900000000, -0.0144240300000000, 0.0038027100000000 ] - [ -0.0008721000000000, -0.0001546300000000, -0.0011164300000000 ] - [ -0.0001288300000000, 0.0007442100000000, 0.0002981900000000 ] - [ -0.0001588800000000, 0.0018593400000000, -0.0007067400000000 ] - [ 0.0003351400000000, 0.0002595800000000, -0.0002945200000000 ] - [ 0.0004122300000000, -0.0002761200000000, -0.0003117900000000 ] - [ -0.0002900800000000, -0.0002571900000000, -0.0003625600000000 ] - [ -0.0000776900000000, -0.0001475700000000, -0.0001830400000000 ] - [ 0.0021284800000000, 0.0005771100000000, -0.0010249700000000 ] - [ 0.0001463800000000, -0.0000489500000000, 0.0002559000000000 ] - [ -0.0001343300000000, 0.0001733900000000, -0.0001956000000000 ] - [ 0.0022953300000000, 0.0005526500000000, 0.0009218300000000 ] - [ 0.0004382700000000, 0.0004637300000000, -0.0003988500000000 ] - [ 0.0003108300000000, -0.0004469600000000, -0.0005065800000000 ] - [ -0.0000356100000000, -0.0005640700000000, 0.0004873700000000 ] - [ 0.0029186200000000, -0.0008754700000000, 0.0012084700000000 ] - [ 0.0000967300000000, 0.0000104300000000, -0.0001833100000000 ] - [ 0.0001933400000000, -0.0000338900000000, -0.0002404800000000 ] - [ -0.0000732600000000, 0.0000557700000000, 0.0001827600000000 ] - [ 0.0002554900000000, -0.0001841300000000, 0.0000030500000000 ] - [ 0.0028262100000000, 0.0018602900000000, 0.0010593100000000 ] - [ -0.0001968100000000, 0.0000066600000000, 0.0005877400000000 ] - [ -0.0001740700000000, -0.0001358900000000, -0.0002542800000000 ] - [ 0.0002711600000000, -0.0010588500000000, -0.0011775500000000 ] - [ -0.0002313000000000, -0.0004960300000000, -0.0002563700000000 ] - [ -0.0000939700000000, 0.0005641900000000, -0.0002222200000000 ] - [ 0.0001528800000000, 0.0003257400000000, -0.0001216300000000 ] - [ 0.0019444700000000, -0.0004128600000000, 0.0016084500000000 ] - [ 0.0000617800000000, 0.0000833300000000, -0.0003212800000000 ] - [ 0.0002704300000000, 0.0001598800000000, 0.0000579000000000 ] - [ 0.0001739900000000, 0.0001807100000000, -0.0005012700000000 ] - [ -0.0003746100000000, -0.0001744800000000, -0.0000218100000000 ] - [ -0.0003236400000000, -0.0001241600000000, -0.0003259300000000 ] - [ 0.0005307600000000, 0.0003011700000000, 0.0003227400000000 ] - [ 0.0000885100000000, 0.0004635600000000, 0.0001840100000000 ] - [ -0.0000076600000000, -0.0004971900000000, -0.0000007800000000 ] - [ 0.0000055100000000, 0.0005101900000000, -0.0000421000000000 ] - [ 0.0009500600000000, -0.0002166000000000, -0.0000513200000000 ] - [ 0.0000361900000000, -0.0003586400000000, -0.0000193000000000 ] - [ -0.0004013300000000, -0.0002638800000000, -0.0003444400000000 ] - [ 0.0003227700000000, -0.0001744800000000, 0.0000957400000000 ] - [ 0.0003918400000000, 0.0001651300000000, -0.0000017200000000 ] - [ 0.0003143700000000, 0.0011477400000000, 0.0002823300000000 ]- atom: 9 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ 0.0006656100000000, -0.0003091200000000, 0.0002340000000000 ] - [ -0.0007003400000000, 0.0002783700000000, 0.0007685700000000 ] - [ -0.0771445300000000, 0.0218197600000000, -0.0417799400000000 ] - [ 0.0007020700000000, 0.0000735700000000, 0.0002822700000000 ] - [ -0.0003238500000000, -0.0002117600000000, 0.0004901200000000 ] - [ 0.0026287600000000, -0.0041887700000000, -0.0034394600000000 ] - [ -0.0060915700000000, 0.0018968300000000, 0.0069892700000000 ] - [ -0.0001807100000000, 0.0002200600000000, 0.0007088400000000 ] - [ 0.3285942000000000, -0.0000345700000000, -0.0060708300000000 ] - [ -0.0007159900000000, -0.0005220000000000, -0.0004143500000000 ] - [ -0.0006371300000000, 0.0004797000000000, -0.0003692500000000 ] - [ -0.0003021500000000, 0.0006384400000000, 0.0001652600000000 ] - [ -0.0217702600000000, -0.0391252100000000, 0.0100818500000000 ] - [ -0.0006914600000000, -0.0001580300000000, -0.0002725100000000 ] - [ -0.0007765000000000, 0.0003372600000000, -0.0000683300000000 ] - [ 0.0006292300000000, 0.0002850000000000, -0.0002663800000000 ] - [ -0.0348680800000000, 0.0439298600000000, 0.0049753200000000 ] - [ 0.0001621100000000, -0.0002309600000000, -0.0005722600000000 ] - [ 0.0002268900000000, 0.0002122300000000, -0.0006037800000000 ] - [ -0.0001104400000000, -0.0001892200000000, -0.0001091700000000 ] - [ 0.0006951100000000, -0.0005243300000000, 0.0003223300000000 ] - [ -0.0004344000000000, -0.0011486000000000, 0.0006818700000000 ] - [ -0.0006774500000000, 0.0019010000000000, -0.0015290300000000 ] - [ 0.0005566500000000, 0.0005535100000000, 0.0004446200000000 ] - [ -0.0003005900000000, 0.0002751000000000, 0.0003723300000000 ] - [ -0.0000250700000000, 0.0003472400000000, -0.0002687800000000 ] - [ -0.0650110200000000, -0.0028617100000000, 0.0234862300000000 ] - [ -0.0002891300000000, -0.0002900300000000, 0.0002497900000000 ] - [ -0.0007726000000000, 0.0009918800000000, -0.0000051100000000 ] - [ 0.0000596000000000, -0.0001633800000000, 0.0002393200000000 ] - [ 0.0000859100000000, 0.0001374300000000, 0.0002053300000000 ] - [ -0.0168709300000000, -0.0085841000000000, -0.0083446400000000 ] - [ -0.0004353200000000, 0.0004391100000000, 0.0004129000000000 ] - [ 0.0006037700000000, 0.0003745800000000, 0.0000192100000000 ] - [ -0.0158597500000000, -0.0162311300000000, -0.0093634900000000 ] - [ -0.0003422100000000, -0.0004272700000000, 0.0004686500000000 ] - [ 0.0000620000000000, -0.0002508600000000, 0.0002623300000000 ] - [ 0.0002444300000000, -0.0001459600000000, -0.0005496800000000 ] - [ -0.0493914000000000, -0.0112057800000000, 0.0263505500000000 ] - [ -0.0000718700000000, 0.0000227800000000, 0.0002286400000000 ] - [ 0.0003208300000000, -0.0000415700000000, -0.0003008400000000 ] - [ -0.0003262200000000, -0.0005107500000000, 0.0006910600000000 ] - [ -0.0003553100000000, 0.0000928300000000, 0.0000729200000000 ] - [ -0.0005581200000000, 0.0003568200000000, -0.0020355400000000 ] - [ 0.0002304000000000, -0.0007016200000000, 0.0002172600000000 ] - [ -0.0260222800000000, 0.0135705100000000, -0.0044373000000000 ] - [ 0.0005462500000000, 0.0013447100000000, 0.0006493000000000 ] - [ 0.0004258700000000, 0.0004964400000000, 0.0000950200000000 ] - [ -0.0005504100000000, -0.0013500300000000, 0.0013121900000000 ] - [ 0.0004389300000000, 0.0002618000000000, -0.0003429700000000 ] - [ 0.0003671100000000, -0.0002219000000000, -0.0003020800000000 ] - [ -0.0004761000000000, -0.0002757200000000, 0.0009344100000000 ] - [ -0.0000727400000000, -0.0001332800000000, -0.0002050200000000 ] - [ -0.0020095500000000, -0.0007412600000000, 0.0014097400000000 ] - [ -0.0000147600000000, 0.0002730100000000, 0.0001456200000000 ] - [ -0.0000022600000000, 0.0000950900000000, -0.0002044400000000 ] - [ -0.0031627000000000, 0.0003791400000000, -0.0001691700000000 ] - [ 0.0003671600000000, 0.0004516400000000, -0.0004735700000000 ] - [ 0.0004553700000000, -0.0004556800000000, -0.0004140700000000 ] - [ -0.0007532600000000, -0.0003579900000000, 0.0004134300000000 ] - [ -0.0031938600000000, 0.0007403700000000, -0.0006284300000000 ] - [ 0.0002608900000000, -0.0000250700000000, -0.0002899300000000 ] - [ 0.0001520500000000, 0.0000652000000000, -0.0002433200000000 ] - [ -0.0002980900000000, -0.0000377900000000, 0.0002947400000000 ] - [ 0.0003886400000000, 0.0000295400000000, -0.0002415100000000 ] - [ -0.0034807900000000, -0.0019800400000000, -0.0008216000000000 ] - [ -0.0004336600000000, 0.0001384500000000, -0.0003400500000000 ] - [ 0.0007791400000000, 0.0002627600000000, 0.0000230000000000 ] - [ 0.0000162400000000, -0.0001632000000000, 0.0015800100000000 ] - [ -0.0000877600000000, -0.0006906200000000, -0.0001713400000000 ] - [ -0.0002284300000000, 0.0006282400000000, -0.0002111400000000 ] - [ 0.0001410900000000, 0.0008937600000000, 0.0005431000000000 ] - [ -0.0019680400000000, -0.0005971100000000, -0.0016298000000000 ] - [ -0.0000735500000000, 0.0009155500000000, 0.0003144400000000 ] - [ -0.0002599400000000, 0.0005409900000000, -0.0000677400000000 ] - [ -0.0001691400000000, -0.0008696300000000, 0.0004873300000000 ] - [ -0.0003720600000000, -0.0001236000000000, 0.0000202500000000 ] - [ 0.0010812200000000, -0.0001684800000000, 0.0003231700000000 ] - [ 0.0002167000000000, -0.0000138600000000, -0.0003135800000000 ] - [ -0.0008343300000000, -0.0001677400000000, -0.0001763100000000 ] - [ 0.0000120900000000, -0.0005066800000000, 0.0000002000000000 ] - [ -0.0000109700000000, 0.0004893700000000, 0.0000356600000000 ] - [ -0.0009294900000000, 0.0009054800000000, 0.0000492100000000 ] - [ -0.0000466000000000, -0.0003335200000000, 0.0000258800000000 ] - [ -0.0003455400000000, -0.0000311300000000, 0.0003407000000000 ] - [ 0.0004323900000000, -0.0001257400000000, -0.0000990500000000 ] - [ 0.0003567800000000, 0.0001250300000000, 0.0000031700000000 ] - [ -0.0010748200000000, -0.0008436700000000, -0.0002756500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006451200000000, -0.0001821500000000, 0.0002045700000000 ] - [ -0.0015698900000000, -0.0011826200000000, 0.0000323700000000 ] - [ -0.0044849800000000, 0.0159201100000000, -0.0033626800000000 ] - [ 0.0007995500000000, 0.0000814300000000, 0.0003095000000000 ] - [ -0.0002132100000000, -0.0000627700000000, 0.0007653900000000 ] - [ 0.0035158000000000, 0.0055004000000000, -0.0040348700000000 ] - [ -0.0047178900000000, 0.0159302400000000, -0.0170171300000000 ] - [ -0.0002950100000000, 0.0004080400000000, 0.0004262300000000 ] - [ 0.0014634700000000, -0.3130156700000000, -0.0009248500000000 ] - [ -0.0005977200000000, -0.0006739900000000, -0.0005468900000000 ] - [ -0.0005531400000000, 0.0003106600000000, -0.0001567900000000 ] - [ 0.0006993100000000, -0.0014418000000000, 0.0003159100000000 ] - [ 0.0200447200000000, 0.0883152500000000, -0.0249740000000000 ] - [ -0.0006995400000000, -0.0002460400000000, -0.0002294800000000 ] - [ -0.0006596500000000, -0.0000443000000000, -0.0001698700000000 ] - [ 0.0006991000000000, 0.0007737000000000, 0.0010021500000000 ] - [ -0.0427357000000000, 0.0700305200000000, 0.0044750600000000 ] - [ 0.0001738200000000, -0.0002007300000000, -0.0005993500000000 ] - [ 0.0003152000000000, 0.0002601500000000, -0.0006031100000000 ] - [ 0.0000514400000000, 0.0005307400000000, 0.0003873800000000 ] - [ 0.0006140100000000, -0.0005669600000000, 0.0004403400000000 ] - [ -0.0012173600000000, 0.0012360500000000, -0.0002282100000000 ] - [ -0.0019454300000000, 0.0034877200000000, -0.0027606100000000 ] - [ 0.0006117400000000, 0.0005506300000000, 0.0003936900000000 ] - [ -0.0002828900000000, 0.0002715100000000, 0.0002524200000000 ] - [ 0.0003743000000000, 0.0004250700000000, -0.0003239600000000 ] - [ 0.0095867300000000, 0.0071490200000000, -0.0011794400000000 ] - [ -0.0004244500000000, -0.0002539700000000, 0.0003253600000000 ] - [ 0.0002180600000000, -0.0010026000000000, -0.0001491700000000 ] - [ 0.0000766700000000, -0.0001320900000000, 0.0002041700000000 ] - [ 0.0000492100000000, 0.0001204500000000, 0.0002125300000000 ] - [ 0.0158648600000000, 0.0295872800000000, 0.0322625400000000 ] - [ -0.0004373900000000, 0.0004376200000000, 0.0004253700000000 ] - [ 0.0003452500000000, 0.0006526800000000, -0.0006899100000000 ] - [ 0.0092794400000000, 0.0315052100000000, 0.0179068500000000 ] - [ -0.0003895200000000, -0.0004700800000000, 0.0004417600000000 ] - [ 0.0000976400000000, 0.0000422800000000, 0.0000690700000000 ] - [ 0.0002154100000000, -0.0003949800000000, 0.0010517700000000 ] - [ 0.0025208300000000, 0.0068355300000000, 0.0024591200000000 ] - [ -0.0001488300000000, 0.0000971500000000, 0.0003019800000000 ] - [ 0.0004328100000000, -0.0003717900000000, -0.0002335100000000 ] - [ -0.0001231400000000, -0.0001789600000000, 0.0001603400000000 ] - [ -0.0004336500000000, -0.0001366100000000, 0.0000738500000000 ] - [ 0.0026018900000000, 0.0005869300000000, 0.0004812400000000 ] - [ 0.0005156500000000, -0.0005022300000000, 0.0001641700000000 ] - [ -0.0114830500000000, 0.0349835400000000, -0.0140069600000000 ] - [ -0.0001827700000000, 0.0013258200000000, 0.0008147300000000 ] - [ -0.0002665600000000, 0.0006394500000000, 0.0004737700000000 ] - [ 0.0011815600000000, 0.0015774000000000, -0.0001628600000000 ] - [ 0.0003635300000000, 0.0002453700000000, -0.0003188200000000 ] - [ 0.0004919300000000, -0.0002129900000000, -0.0003953300000000 ] - [ -0.0000719500000000, -0.0002477200000000, 0.0003628500000000 ] - [ -0.0000638400000000, -0.0001428700000000, -0.0001841200000000 ] - [ 0.0000958200000000, 0.0028654100000000, 0.0006886300000000 ] - [ 0.0001447900000000, -0.0004636300000000, 0.0003037000000000 ] - [ -0.0000710800000000, 0.0001438300000000, -0.0001862600000000 ] - [ 0.0001330600000000, -0.0006115700000000, 0.0003444100000000 ] - [ 0.0004176600000000, 0.0004667500000000, -0.0004155700000000 ] - [ 0.0003655100000000, -0.0004451300000000, -0.0005015100000000 ] - [ -0.0010963800000000, -0.0011645900000000, 0.0004405200000000 ] - [ -0.0005067600000000, 0.0014428700000000, 0.0018783600000000 ] - [ 0.0000912600000000, -0.0000185700000000, -0.0002237000000000 ] - [ 0.0000555800000000, 0.0000312000000000, -0.0002958300000000 ] - [ -0.0001829600000000, 0.0000746500000000, 0.0002898800000000 ] - [ 0.0002564700000000, 0.0000334000000000, -0.0002362400000000 ] - [ -0.0001199200000000, -0.0011417600000000, -0.0007760400000000 ] - [ -0.0003658400000000, 0.0001018700000000, -0.0000050100000000 ] - [ 0.0008709100000000, 0.0006929500000000, 0.0001962900000000 ] - [ -0.0006055000000000, -0.0017320300000000, 0.0017942600000000 ] - [ -0.0002643000000000, -0.0005901000000000, -0.0002716100000000 ] - [ -0.0002106800000000, 0.0005814800000000, -0.0001731200000000 ] - [ 0.0001413000000000, 0.0004083600000000, 0.0005737000000000 ] - [ 0.0014262100000000, -0.0022117600000000, 0.0006967800000000 ] - [ -0.0000413100000000, -0.0000626000000000, -0.0004005300000000 ] - [ -0.0005892100000000, 0.0012873900000000, -0.0001064700000000 ] - [ 0.0000386300000000, 0.0002097800000000, -0.0004073300000000 ] - [ -0.0005160900000000, -0.0000871900000000, -0.0000619300000000 ] - [ -0.0006242500000000, 0.0013071800000000, 0.0011458600000000 ] - [ 0.0004854700000000, -0.0001849500000000, 0.0011229200000000 ] - [ -0.0001435300000000, 0.0004183100000000, 0.0001936900000000 ] - [ 0.0002383400000000, -0.0005056100000000, 0.0000001400000000 ] - [ 0.0000803700000000, 0.0005222700000000, -0.0000432000000000 ] - [ -0.0002568700000000, 0.0008837100000000, 0.0002604400000000 ] - [ 0.0001238100000000, -0.0003667800000000, -0.0000837000000000 ] - [ -0.0003345000000000, -0.0001107300000000, -0.0000092200000000 ] - [ 0.0003510800000000, -0.0000647200000000, 0.0000220500000000 ] - [ 0.0004483500000000, 0.0001495000000000, -0.0000046900000000 ] - [ 0.0003130500000000, -0.0000131800000000, 0.0003057900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008223800000000, 0.0000352500000000, 0.0003389000000000 ] - [ 0.0001435900000000, 0.0010420400000000, -0.0005502500000000 ] - [ 0.0030880800000000, -0.0157803000000000, 0.0029764700000000 ] - [ 0.0006822600000000, 0.0000528800000000, 0.0002161300000000 ] - [ -0.0002010100000000, -0.0004512400000000, 0.0004869800000000 ] - [ -0.0031813500000000, -0.0058859800000000, 0.0028203600000000 ] - [ 0.0051267700000000, -0.0154936400000000, 0.0161408700000000 ] - [ -0.0001251600000000, 0.0001179100000000, 0.0007862400000000 ] - [ 0.0001326000000000, 0.3181659900000000, 0.0024404000000000 ] - [ -0.0005881800000000, -0.0003942000000000, -0.0002773100000000 ] - [ -0.0006154900000000, 0.0007451000000000, -0.0006348700000000 ] - [ 0.0004679000000000, 0.0025163200000000, 0.0004798600000000 ] - [ -0.0194094800000000, -0.0918597700000000, 0.0263826400000000 ] - [ -0.0007761700000000, 0.0001146700000000, -0.0002847400000000 ] - [ -0.0008221500000000, 0.0001693300000000, -0.0003243400000000 ] - [ 0.0007479900000000, -0.0005962300000000, -0.0004913600000000 ] - [ 0.0436087000000000, -0.0730161300000000, -0.0037230800000000 ] - [ 0.0002227200000000, -0.0003024400000000, -0.0006102300000000 ] - [ 0.0001164100000000, 0.0002352900000000, -0.0006182300000000 ] - [ -0.0004631600000000, -0.0000049400000000, 0.0008200600000000 ] - [ 0.0005552700000000, -0.0004694400000000, 0.0003839700000000 ] - [ 0.0000344100000000, -0.0022962900000000, -0.0006079500000000 ] - [ 0.0008365600000000, -0.0024968800000000, 0.0020668400000000 ] - [ 0.0005675300000000, 0.0005358900000000, 0.0004373900000000 ] - [ -0.0004548600000000, 0.0002484300000000, 0.0003435100000000 ] - [ 0.0004161000000000, 0.0001060800000000, -0.0003079200000000 ] - [ -0.0089371800000000, -0.0075594000000000, 0.0006172000000000 ] - [ -0.0003358300000000, -0.0002834400000000, 0.0002704000000000 ] - [ -0.0003449400000000, 0.0006798600000000, -0.0002293300000000 ] - [ 0.0000700000000000, -0.0001528500000000, 0.0002221000000000 ] - [ 0.0000935400000000, 0.0001279600000000, 0.0001907900000000 ] - [ -0.0156535500000000, -0.0290398200000000, -0.0319345700000000 ] - [ -0.0003654300000000, 0.0004487400000000, 0.0004109300000000 ] - [ 0.0004539300000000, 0.0002839200000000, -0.0001800200000000 ] - [ -0.0091868900000000, -0.0340534800000000, -0.0204298600000000 ] - [ -0.0004102400000000, -0.0004326500000000, 0.0004369600000000 ] - [ -0.0004322000000000, -0.0000848500000000, 0.0004550300000000 ] - [ 0.0000993000000000, 0.0003711100000000, -0.0015251100000000 ] - [ -0.0022649600000000, -0.0066849500000000, -0.0029101700000000 ] - [ -0.0001785500000000, -0.0000489900000000, 0.0001969400000000 ] - [ 0.0002137300000000, 0.0002075800000000, 0.0000041300000000 ] - [ -0.0005028600000000, 0.0000350200000000, 0.0000611500000000 ] - [ -0.0001638300000000, 0.0002785600000000, 0.0001800700000000 ] - [ -0.0020620500000000, -0.0004422100000000, -0.0007196600000000 ] - [ -0.0001739400000000, -0.0007254100000000, 0.0002164600000000 ] - [ 0.0107445500000000, -0.0352353100000000, 0.0127546900000000 ] - [ -0.0001071600000000, -0.0001151800000000, -0.0012654000000000 ] - [ 0.0005755800000000, 0.0005977700000000, -0.0000783800000000 ] - [ -0.0019499500000000, -0.0010494300000000, 0.0007680200000000 ] - [ 0.0004229600000000, 0.0002714800000000, -0.0003195600000000 ] - [ 0.0002999500000000, -0.0002803400000000, -0.0002249100000000 ] - [ -0.0007049900000000, -0.0002927500000000, 0.0002311500000000 ] - [ -0.0000793900000000, -0.0001371400000000, -0.0002010900000000 ] - [ 0.0000777600000000, -0.0033425400000000, -0.0002246200000000 ] - [ -0.0000229300000000, 0.0007010800000000, 0.0000950000000000 ] - [ -0.0000590900000000, 0.0001275000000000, -0.0002121100000000 ] - [ -0.0009308500000000, 0.0014998300000000, 0.0005340400000000 ] - [ 0.0003804500000000, 0.0004536500000000, -0.0004575200000000 ] - [ 0.0003980400000000, -0.0004631300000000, -0.0004119400000000 ] - [ 0.0003016500000000, 0.0002596500000000, 0.0004387600000000 ] - [ 0.0001898100000000, -0.0014606100000000, -0.0013678700000000 ] - [ 0.0002417800000000, -0.0000074100000000, -0.0002538800000000 ] - [ 0.0002639800000000, 0.0000110000000000, -0.0001938300000000 ] - [ -0.0001555300000000, -0.0000489800000000, 0.0001952300000000 ] - [ 0.0003754700000000, -0.0001882600000000, -0.0000085100000000 ] - [ -0.0005032800000000, 0.0010026900000000, 0.0010254100000000 ] - [ -0.0002500700000000, 0.0000458800000000, 0.0002552400000000 ] - [ -0.0002598500000000, -0.0005363700000000, -0.0004518000000000 ] - [ 0.0009659000000000, 0.0005466400000000, -0.0014540900000000 ] - [ -0.0000649500000000, -0.0005953200000000, -0.0001558400000000 ] - [ -0.0001189500000000, 0.0006093300000000, -0.0002555800000000 ] - [ 0.0001578000000000, 0.0008173600000000, -0.0001699400000000 ] - [ -0.0014266400000000, 0.0011982100000000, -0.0006862100000000 ] - [ 0.0000280400000000, 0.0010660600000000, 0.0003955100000000 ] - [ 0.0005792700000000, -0.0005699100000000, 0.0000904400000000 ] - [ -0.0000437100000000, -0.0009030100000000, 0.0004030500000000 ] - [ -0.0002290600000000, -0.0002100100000000, 0.0000550600000000 ] - [ 0.0013683800000000, -0.0015814900000000, -0.0011117300000000 ] - [ 0.0002629100000000, 0.0004711200000000, -0.0011160100000000 ] - [ -0.0006018200000000, -0.0001190600000000, -0.0001879200000000 ] - [ -0.0002350100000000, -0.0005007800000000, -0.0000000900000000 ] - [ -0.0000891700000000, 0.0004860000000000, 0.0000382200000000 ] - [ 0.0002662700000000, -0.0001834300000000, -0.0002638400000000 ] - [ -0.0001331900000000, -0.0003330900000000, 0.0000863600000000 ] - [ -0.0004036900000000, -0.0001823100000000, 0.0000001400000000 ] - [ 0.0003935000000000, -0.0002280000000000, -0.0000202800000000 ] - [ 0.0002945600000000, 0.0001406900000000, 0.0000076300000000 ] - [ -0.0010696600000000, 0.0002955100000000, -0.0003047500000000 ]- atom: 9 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0006418100000000, -0.0000021000000000, 0.0004546700000000 ] - [ -0.0011916500000000, -0.0004422400000000, -0.0005436200000000 ] - [ 0.0368140900000000, -0.0140360300000000, 0.0286787600000000 ] - [ 0.0007419200000000, 0.0000489800000000, 0.0002873800000000 ] - [ -0.0001414800000000, -0.0003603000000000, 0.0003635300000000 ] - [ 0.0024705700000000, -0.0024385400000000, 0.0054884900000000 ] - [ 0.0032224600000000, -0.0328357500000000, 0.0958463100000000 ] - [ -0.0001575300000000, 0.0000939600000000, 0.0008643600000000 ] - [ 0.0140483700000000, -0.0015675500000000, -0.3119007000000000 ] - [ -0.0005880600000000, -0.0003966000000000, -0.0003259000000000 ] - [ -0.0006028100000000, 0.0007661300000000, -0.0005797100000000 ] - [ 0.0008098900000000, 0.0006193300000000, 0.0013741600000000 ] - [ -0.0018358300000000, -0.0220041100000000, 0.0128639400000000 ] - [ -0.0006157400000000, -0.0000829200000000, -0.0002683200000000 ] - [ -0.0008284400000000, -0.0000139800000000, -0.0000798400000000 ] - [ 0.0010963400000000, 0.0003807600000000, 0.0005092900000000 ] - [ -0.0162065400000000, 0.0229931800000000, 0.0149460700000000 ] - [ 0.0002173800000000, -0.0002468300000000, -0.0006591400000000 ] - [ 0.0002519700000000, 0.0001832300000000, -0.0004605800000000 ] - [ -0.0001466300000000, 0.0007322900000000, 0.0011490200000000 ] - [ 0.0006715300000000, -0.0004815900000000, 0.0003277200000000 ] - [ -0.0016943100000000, -0.0007289000000000, -0.0014451700000000 ] - [ 0.0005692400000000, -0.0018699500000000, 0.0002276100000000 ] - [ 0.0005524400000000, 0.0005622300000000, 0.0004313400000000 ] - [ -0.0004193200000000, 0.0002845700000000, 0.0003671200000000 ] - [ 0.0007493600000000, 0.0002171400000000, 0.0002077600000000 ] - [ -0.0335564200000000, 0.0024055500000000, 0.0244399300000000 ] - [ -0.0003859600000000, -0.0002801600000000, 0.0002929700000000 ] - [ 0.0004547100000000, -0.0005208100000000, -0.0005852900000000 ] - [ 0.0001124100000000, -0.0002116900000000, 0.0001914000000000 ] - [ 0.0000790600000000, 0.0001143700000000, 0.0001930700000000 ] - [ 0.0089145200000000, 0.0188780800000000, 0.0369097000000000 ] - [ -0.0004720900000000, 0.0004640300000000, 0.0003723800000000 ] - [ 0.0001811800000000, 0.0006680900000000, -0.0009480200000000 ] - [ 0.0076944600000000, 0.0307411900000000, 0.0357287100000000 ] - [ -0.0004977100000000, -0.0004682100000000, 0.0004341200000000 ] - [ -0.0003023700000000, -0.0001662800000000, 0.0004547000000000 ] - [ 0.0002006600000000, 0.0000188400000000, 0.0000499300000000 ] - [ -0.0193610700000000, -0.0007413600000000, 0.0211700700000000 ] - [ -0.0003306700000000, 0.0000046900000000, 0.0001357300000000 ] - [ 0.0001259300000000, -0.0000218500000000, -0.0000228600000000 ] - [ -0.0002841300000000, -0.0000674400000000, 0.0004704500000000 ] - [ -0.0004694600000000, 0.0001447100000000, -0.0000547300000000 ] - [ 0.0008988100000000, 0.0014810700000000, -0.0006639000000000 ] - [ -0.0002391900000000, -0.0006428100000000, 0.0001869700000000 ] - [ 0.0000943900000000, -0.0104895400000000, 0.0256109900000000 ] - [ -0.0022750200000000, 0.0022577300000000, 0.0014524500000000 ] - [ 0.0005428500000000, 0.0005144300000000, -0.0001382100000000 ] - [ -0.0007264300000000, 0.0008325100000000, 0.0028324400000000 ] - [ 0.0003990600000000, 0.0002819700000000, -0.0002952600000000 ] - [ 0.0002494500000000, -0.0002512700000000, -0.0003440900000000 ] - [ -0.0001585400000000, 0.0001317300000000, -0.0003575000000000 ] - [ -0.0001217200000000, -0.0001453500000000, -0.0002083600000000 ] - [ -0.0015966500000000, 0.0005756200000000, 0.0001175300000000 ] - [ 0.0002329600000000, -0.0002751300000000, 0.0005305700000000 ] - [ 0.0000162200000000, 0.0001820000000000, -0.0002245900000000 ] - [ -0.0001631100000000, 0.0003976700000000, 0.0035522800000000 ] - [ 0.0003569800000000, 0.0004522800000000, -0.0004784900000000 ] - [ 0.0003805800000000, -0.0004500600000000, -0.0004447200000000 ] - [ -0.0008811400000000, -0.0004731600000000, -0.0004326600000000 ] - [ 0.0001651800000000, 0.0022419700000000, 0.0015316900000000 ] - [ 0.0001695500000000, -0.0000095500000000, -0.0002432500000000 ] - [ 0.0000156000000000, 0.0000310200000000, -0.0002559700000000 ] - [ 0.0001330200000000, 0.0002078800000000, 0.0001189300000000 ] - [ 0.0002190800000000, -0.0000516400000000, -0.0000817200000000 ] - [ -0.0004303800000000, -0.0005093300000000, -0.0008482700000000 ] - [ -0.0001359000000000, 0.0000418600000000, 0.0002746400000000 ] - [ 0.0009924800000000, 0.0005488900000000, -0.0001779700000000 ] - [ -0.0006745700000000, 0.0000351600000000, 0.0025097300000000 ] - [ -0.0001952800000000, -0.0006143300000000, -0.0001510500000000 ] - [ -0.0001736000000000, 0.0005455900000000, -0.0002683600000000 ] - [ -0.0000436000000000, 0.0004503500000000, -0.0003128800000000 ] - [ 0.0019899400000000, -0.0000881600000000, -0.0004126400000000 ] - [ -0.0000101500000000, 0.0007303200000000, 0.0004603200000000 ] - [ 0.0009666000000000, -0.0001980300000000, 0.0002545100000000 ] - [ 0.0000382600000000, -0.0006459600000000, 0.0008878400000000 ] - [ -0.0002459700000000, -0.0001337600000000, 0.0000905100000000 ] - [ -0.0007748300000000, 0.0012994700000000, -0.0009556500000000 ] - [ 0.0005691300000000, 0.0004120800000000, 0.0006934300000000 ] - [ -0.0012553500000000, -0.0001299900000000, -0.0003404200000000 ] - [ 0.0000408300000000, -0.0005388900000000, -0.0001299100000000 ] - [ -0.0000025700000000, 0.0005168000000000, 0.0000644100000000 ] - [ 0.0000836300000000, 0.0004969600000000, 0.0002382700000000 ] - [ 0.0002151700000000, -0.0002482100000000, 0.0002272900000000 ] - [ -0.0005684300000000, -0.0001097400000000, -0.0002279000000000 ] - [ 0.0003850100000000, -0.0001846600000000, -0.0000162200000000 ] - [ 0.0003722700000000, 0.0001520300000000, 0.0000043000000000 ] - [ 0.0006132800000000, 0.0010359800000000, -0.0009859300000000 ]- atom: 9 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0008152700000000, -0.0001529200000000, 0.0000994100000000 ] - [ -0.0002236700000000, 0.0002922500000000, -0.0000024400000000 ] - [ -0.0374961800000000, 0.0140833300000000, -0.0284731100000000 ] - [ 0.0007362000000000, 0.0000905800000000, 0.0002415700000000 ] - [ -0.0002528200000000, -0.0001655600000000, 0.0008709700000000 ] - [ -0.0021691500000000, 0.0020345600000000, -0.0066898800000000 ] - [ -0.0026994300000000, 0.0322045100000000, -0.0932080600000000 ] - [ -0.0002599100000000, 0.0004415300000000, 0.0003397900000000 ] - [ -0.0135647000000000, 0.0018300400000000, 0.3074873000000000 ] - [ -0.0005994400000000, -0.0006489100000000, -0.0004879300000000 ] - [ -0.0005636700000000, 0.0002725800000000, -0.0001883400000000 ] - [ 0.0003951300000000, 0.0004412400000000, -0.0005722300000000 ] - [ 0.0030286000000000, 0.0215353300000000, -0.0122055800000000 ] - [ -0.0008562600000000, -0.0000526900000000, -0.0002435000000000 ] - [ -0.0006290200000000, 0.0001466600000000, -0.0003984600000000 ] - [ 0.0003469900000000, -0.0001928600000000, 0.0000022900000000 ] - [ 0.0159559900000000, -0.0238237600000000, -0.0138207000000000 ] - [ 0.0001689300000000, -0.0002553200000000, -0.0005406100000000 ] - [ 0.0001720500000000, 0.0003157700000000, -0.0007393400000000 ] - [ -0.0002492000000000, -0.0001989700000000, 0.0000383600000000 ] - [ 0.0004913700000000, -0.0005220600000000, 0.0004930200000000 ] - [ 0.0005116500000000, -0.0003106500000000, 0.0006224200000000 ] - [ -0.0017159000000000, 0.0028665400000000, -0.0010044200000000 ] - [ 0.0006180000000000, 0.0005079500000000, 0.0003871900000000 ] - [ -0.0003031300000000, 0.0002484100000000, 0.0002183100000000 ] - [ 0.0000277300000000, 0.0003244400000000, -0.0008267900000000 ] - [ 0.0348801400000000, -0.0029077800000000, -0.0252347900000000 ] - [ -0.0003582600000000, -0.0002671100000000, 0.0002880500000000 ] - [ -0.0005822000000000, 0.0002112300000000, 0.0001672200000000 ] - [ 0.0000349100000000, -0.0000848100000000, 0.0002419900000000 ] - [ 0.0000643800000000, 0.0001264300000000, 0.0002187000000000 ] - [ -0.0082117800000000, -0.0173106700000000, -0.0355569300000000 ] - [ -0.0003532600000000, 0.0004224700000000, 0.0004397300000000 ] - [ 0.0006250900000000, 0.0002645400000000, 0.0000896100000000 ] - [ -0.0072400700000000, -0.0327435900000000, -0.0373992800000000 ] - [ -0.0003164400000000, -0.0004301000000000, 0.0004343900000000 ] - [ -0.0000576000000000, 0.0001357300000000, 0.0000735700000000 ] - [ 0.0001338600000000, -0.0000290300000000, -0.0005370900000000 ] - [ 0.0187305600000000, 0.0005784200000000, -0.0211883400000000 ] - [ -0.0000238500000000, 0.0000392000000000, 0.0003653300000000 ] - [ 0.0005346200000000, -0.0001390600000000, -0.0002011300000000 ] - [ -0.0003557200000000, -0.0000967200000000, -0.0002172400000000 ] - [ -0.0001380900000000, -0.0000118200000000, 0.0003036500000000 ] - [ -0.0002227500000000, -0.0012938600000000, 0.0003745400000000 ] - [ 0.0005716200000000, -0.0005899100000000, 0.0001832600000000 ] - [ -0.0006007200000000, 0.0097832600000000, -0.0264839800000000 ] - [ 0.0019720900000000, -0.0010863500000000, -0.0019382600000000 ] - [ -0.0002425700000000, 0.0007237500000000, 0.0005275600000000 ] - [ 0.0000030400000000, -0.0002842400000000, -0.0022324900000000 ] - [ 0.0003763400000000, 0.0002372800000000, -0.0003449600000000 ] - [ 0.0005405300000000, -0.0002406100000000, -0.0002748300000000 ] - [ -0.0005994600000000, -0.0006433400000000, 0.0009338900000000 ] - [ -0.0000261500000000, -0.0001369800000000, -0.0001819800000000 ] - [ 0.0017386300000000, -0.0008646300000000, 0.0003103300000000 ] - [ -0.0001101100000000, 0.0005071300000000, -0.0001353300000000 ] - [ -0.0001468300000000, 0.0000873400000000, -0.0001712400000000 ] - [ -0.0006304000000000, 0.0004507300000000, -0.0026471300000000 ] - [ 0.0004500400000000, 0.0004655600000000, -0.0003874800000000 ] - [ 0.0003826800000000, -0.0004591300000000, -0.0004771500000000 ] - [ 0.0000924300000000, -0.0004284800000000, 0.0013174800000000 ] - [ -0.0005389800000000, -0.0022489000000000, -0.0010285100000000 ] - [ 0.0001872800000000, -0.0000056500000000, -0.0002346500000000 ] - [ 0.0003247800000000, 0.0000031300000000, -0.0002247200000000 ] - [ -0.0005045200000000, -0.0001895000000000, 0.0003656100000000 ] - [ 0.0004269100000000, -0.0001018300000000, -0.0001615100000000 ] - [ -0.0002238900000000, 0.0003254200000000, 0.0010235700000000 ] - [ -0.0004957300000000, 0.0001039500000000, -0.0000218100000000 ] - [ -0.0003679100000000, -0.0003955900000000, -0.0000561500000000 ] - [ 0.0009926100000000, -0.0012435500000000, -0.0021386300000000 ] - [ -0.0001280700000000, -0.0005643800000000, -0.0002746800000000 ] - [ -0.0001466500000000, 0.0006423200000000, -0.0001670600000000 ] - [ 0.0003441400000000, 0.0007521500000000, 0.0007351700000000 ] - [ -0.0020044000000000, -0.0009270600000000, 0.0004082800000000 ] - [ -0.0000102800000000, 0.0002731800000000, -0.0004684900000000 ] - [ -0.0009686700000000, 0.0009032200000000, -0.0002658400000000 ] - [ -0.0000444300000000, -0.0000443300000000, -0.0008947000000000 ] - [ -0.0005037100000000, -0.0001629300000000, -0.0000905400000000 ] - [ 0.0015281600000000, -0.0015801400000000, 0.0009566400000000 ] - [ 0.0001783400000000, -0.0001322100000000, -0.0006834500000000 ] - [ 0.0005004400000000, 0.0004218600000000, 0.0003485400000000 ] - [ -0.0000393200000000, -0.0004687300000000, 0.0001280500000000 ] - [ -0.0000048900000000, 0.0004878000000000, -0.0000682100000000 ] - [ -0.0000745600000000, 0.0001964500000000, -0.0002415300000000 ] - [ -0.0002237500000000, -0.0004431300000000, -0.0002232900000000 ] - [ -0.0001776100000000, -0.0001832600000000, 0.0002272800000000 ] - [ 0.0003658400000000, -0.0001089200000000, 0.0000120600000000 ] - [ 0.0003756800000000, 0.0001361200000000, -0.0000040500000000 ] - [ -0.0013668900000000, -0.0007424000000000, 0.0009837000000000 ]- atom: 25 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0075370900000000, -0.0063042900000000, 0.0046077100000000 ] - [ -0.0007802000000000, -0.0001108900000000, -0.0002221100000000 ] - [ -0.0010893800000000, -0.0001810700000000, 0.0004722900000000 ] - [ 0.0006197300000000, 0.0001202000000000, 0.0002552900000000 ] - [ 0.0020669800000000, 0.0006808400000000, 0.0007286700000000 ] - [ 0.0002259900000000, -0.0003506700000000, -0.0004618500000000 ] - [ 0.0001613700000000, 0.0002560700000000, -0.0006942500000000 ] - [ 0.0002884300000000, -0.0002850400000000, 0.0001408500000000 ] - [ 0.0005197100000000, -0.0004090300000000, 0.0003346400000000 ] - [ -0.0001736100000000, -0.0004847700000000, -0.0000311300000000 ] - [ 0.0682238500000000, 0.0099278800000000, -0.0338509700000000 ] - [ 0.0005118800000000, 0.0005601700000000, 0.0003890400000000 ] - [ 0.0006784100000000, -0.0000656100000000, 0.0003610000000000 ] - [ -0.0007401100000000, -0.0000575800000000, -0.0003060000000000 ] - [ 0.0006099200000000, 0.0000433600000000, -0.0025525900000000 ] - [ 0.0007334700000000, 0.0000714300000000, 0.0002327000000000 ] - [ -0.0001888000000000, -0.0002839100000000, 0.0006120100000000 ] - [ 0.0000408100000000, -0.0002366900000000, -0.0005562900000000 ] - [ 0.0161338400000000, 0.0131152100000000, -0.0030575300000000 ] - [ -0.0002316200000000, 0.0002787000000000, 0.0006169000000000 ] - [ 0.0007738000000000, 0.0010886000000000, 0.0000231700000000 ] - [ -0.0006379100000000, -0.0004948400000000, -0.0003927700000000 ] - [ -0.0005463300000000, 0.0005864000000000, -0.0005194700000000 ] - [ 0.0006715400000000, 0.0002149100000000, 0.0006246000000000 ] - [ -0.1166463800000000, -0.0193058500000000, 0.0391221700000000 ] - [ 0.0005063100000000, 0.0002238000000000, -0.0003665500000000 ] - [ 0.0005309300000000, -0.0001798700000000, -0.0003197800000000 ] - [ -0.0003795500000000, -0.0003058800000000, 0.0002962100000000 ] - [ -0.0000358400000000, -0.0001325600000000, -0.0001944400000000 ] - [ -0.0007952500000000, -0.0020065300000000, -0.0021661600000000 ] - [ 0.0000109700000000, 0.0004812400000000, 0.0008351200000000 ] - [ -0.0000610000000000, 0.0000944500000000, -0.0001971200000000 ] - [ 0.0032607200000000, 0.0038369600000000, 0.0020535000000000 ] - [ 0.0004197500000000, 0.0004749200000000, -0.0004037700000000 ] - [ 0.0003901300000000, -0.0004432200000000, -0.0004330300000000 ] - [ -0.0005064500000000, -0.0004324500000000, 0.0004019100000000 ] - [ 0.0097275200000000, 0.0030004600000000, -0.0072483600000000 ] - [ 0.0002240100000000, -0.0000078200000000, -0.0002924600000000 ] - [ 0.0002938200000000, -0.0000366100000000, -0.0002372800000000 ] - [ -0.0001596800000000, 0.0000197900000000, 0.0002039200000000 ] - [ 0.0003166800000000, -0.0000745200000000, -0.0001179900000000 ] - [ 0.0000936700000000, 0.0003136000000000, 0.0001268400000000 ] - [ -0.0003523000000000, 0.0001149600000000, 0.0001108200000000 ] - [ 0.0002690000000000, 0.0000826900000000, 0.0000863400000000 ] - [ 0.0002036600000000, -0.0008886300000000, -0.0001977000000000 ] - [ 0.0000968700000000, -0.0006407000000000, -0.0003569000000000 ] - [ -0.0001673100000000, 0.0006028100000000, -0.0001798600000000 ] - [ 0.0021000400000000, -0.0010670700000000, 0.0019916600000000 ] - [ -0.0003581400000000, 0.0002714300000000, 0.0002622300000000 ] - [ 0.0003516700000000, 0.0002858500000000, -0.0002783500000000 ] - [ 0.0003137300000000, -0.0001686900000000, -0.0004016800000000 ] - [ -0.0003338800000000, -0.0002639700000000, 0.0002773300000000 ] - [ -0.0001351400000000, -0.0001358900000000, -0.0002345400000000 ] - [ 0.0001238900000000, -0.0001462800000000, 0.0002172400000000 ] - [ 0.0000704600000000, 0.0001188300000000, 0.0001916600000000 ] - [ 0.0000680500000000, 0.0040722000000000, -0.0021625000000000 ] - [ -0.0003909700000000, 0.0004517700000000, 0.0003641700000000 ] - [ -0.0001807400000000, 0.0005895000000000, -0.0007291600000000 ] - [ -0.0007625400000000, -0.0003914300000000, 0.0007824900000000 ] - [ -0.0004179300000000, -0.0004579200000000, 0.0004167100000000 ] - [ -0.0001602000000000, -0.0000259800000000, 0.0002661300000000 ] - [ 0.0001866900000000, 0.0000768700000000, -0.0002847200000000 ] - [ -0.0017551800000000, -0.0018216700000000, 0.0018417200000000 ] - [ -0.0000490000000000, 0.0000018100000000, 0.0001823300000000 ] - [ 0.0004087400000000, -0.0001360900000000, -0.0002922500000000 ] - [ 0.0007587000000000, 0.0000402200000000, 0.0008005100000000 ] - [ -0.0002781500000000, 0.0002121900000000, 0.0000499700000000 ] - [ 0.0022059400000000, 0.0015443100000000, 0.0020038600000000 ] - [ 0.0001561700000000, -0.0006187100000000, 0.0001552300000000 ] - [ -0.0001710500000000, -0.0004392100000000, -0.0003885300000000 ] - [ -0.0014928200000000, -0.0007729000000000, 0.0000051600000000 ] - [ 0.0003198400000000, 0.0004189300000000, 0.0003063200000000 ] - [ -0.0000426700000000, -0.0002997800000000, 0.0001675200000000 ] - [ 0.0000300100000000, 0.0004909500000000, -0.0002141800000000 ] - [ -0.0001412800000000, 0.0000677300000000, 0.0004322200000000 ] - [ 0.0000470200000000, -0.0003803700000000, -0.0000304400000000 ] - [ -0.0003333700000000, -0.0001565300000000, 0.0000969100000000 ] - [ 0.0000215000000000, -0.0002659100000000, -0.0001657200000000 ] - [ 0.0003679600000000, 0.0001536200000000, 0.0000136400000000 ] - [ -0.0004074200000000, 0.0000630900000000, -0.0000175300000000 ] - [ 0.0000388500000000, -0.0005479400000000, 0.0000531700000000 ] - [ 0.0000035500000000, 0.0005543800000000, -0.0000551300000000 ] - [ 0.0000223100000000, 0.0003170100000000, 0.0000256400000000 ] - [ 0.0073395400000000, -0.0038841400000000, -0.0029150900000000 ] - [ -0.0004058800000000, -0.0001719700000000, -0.0000005800000000 ] - [ 0.0002128800000000, -0.0004511400000000, -0.0001616100000000 ] - [ 0.0003901400000000, 0.0002519100000000, 0.0002470500000000 ] - [ -0.0003704700000000, 0.0001505400000000, -0.0000982000000000 ]- atom: 25 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ -0.0061439100000000, 0.0060304900000000, -0.0037254000000000 ] - [ -0.0006451100000000, -0.0000416300000000, -0.0002990100000000 ] - [ -0.0003898600000000, 0.0003253700000000, -0.0009766600000000 ] - [ 0.0008502600000000, 0.0000259500000000, 0.0002564600000000 ] - [ -0.0024326000000000, -0.0011608700000000, 0.0003962200000000 ] - [ 0.0001701900000000, -0.0001643800000000, -0.0007247400000000 ] - [ 0.0002499500000000, 0.0002660400000000, -0.0005052400000000 ] - [ -0.0007120400000000, 0.0008228400000000, 0.0010610400000000 ] - [ 0.0006305500000000, -0.0005926700000000, 0.0004729300000000 ] - [ -0.0010015800000000, -0.0005521400000000, -0.0007924100000000 ] - [ -0.0660795800000000, -0.0085984500000000, 0.0313553400000000 ] - [ 0.0006693300000000, 0.0005121400000000, 0.0004241300000000 ] - [ 0.0007736200000000, -0.0000775000000000, 0.0001774400000000 ] - [ -0.0007131200000000, -0.0000909900000000, -0.0001978000000000 ] - [ -0.0020747600000000, 0.0001400200000000, 0.0020501300000000 ] - [ 0.0006860500000000, 0.0001134500000000, 0.0002723800000000 ] - [ -0.0002227900000000, -0.0002273400000000, 0.0006122600000000 ] - [ 0.0003523000000000, -0.0002833500000000, -0.0006270400000000 ] - [ -0.0157245400000000, -0.0125514300000000, 0.0018479200000000 ] - [ -0.0001689200000000, 0.0002628900000000, 0.0005640300000000 ] - [ 0.0003805600000000, -0.0020554900000000, 0.0007571200000000 ] - [ -0.0005457900000000, -0.0005744500000000, -0.0004477600000000 ] - [ -0.0006001200000000, 0.0004102000000000, -0.0002294100000000 ] - [ 0.0004893300000000, 0.0008657700000000, 0.0001885800000000 ] - [ 0.1127140800000000, 0.0193335300000000, -0.0370716400000000 ] - [ 0.0002764200000000, 0.0003183700000000, -0.0002481000000000 ] - [ 0.0002199800000000, -0.0003021600000000, -0.0002912900000000 ] - [ -0.0003670600000000, -0.0002378800000000, 0.0002938100000000 ] - [ -0.0000898800000000, -0.0001586200000000, -0.0001886000000000 ] - [ 0.0009444200000000, 0.0016842100000000, 0.0026074100000000 ] - [ 0.0001404300000000, -0.0002465800000000, -0.0004136200000000 ] - [ -0.0000948900000000, 0.0001585600000000, -0.0002263200000000 ] - [ -0.0039953200000000, -0.0029052900000000, -0.0012018100000000 ] - [ 0.0003859500000000, 0.0004645700000000, -0.0004485900000000 ] - [ 0.0003698100000000, -0.0004343800000000, -0.0004643100000000 ] - [ -0.0003086200000000, -0.0004678200000000, 0.0004724200000000 ] - [ -0.0099635800000000, -0.0030100900000000, 0.0076908600000000 ] - [ 0.0001118700000000, 0.0000138700000000, -0.0001936200000000 ] - [ 0.0000776700000000, 0.0000776000000000, -0.0002659800000000 ] - [ -0.0001914700000000, 0.0000260200000000, 0.0002953000000000 ] - [ 0.0003487800000000, -0.0000906600000000, -0.0001001900000000 ] - [ -0.0007413100000000, -0.0004677700000000, 0.0000951100000000 ] - [ -0.0002592300000000, 0.0000224400000000, 0.0001314700000000 ] - [ 0.0003462700000000, 0.0000576300000000, -0.0003262700000000 ] - [ 0.0001077500000000, -0.0003470000000000, 0.0005741700000000 ] - [ -0.0003956400000000, -0.0005746200000000, -0.0000372300000000 ] - [ -0.0001377800000000, 0.0005806200000000, -0.0002558000000000 ] - [ -0.0017985700000000, 0.0022870100000000, -0.0016175900000000 ] - [ -0.0003652100000000, 0.0002554300000000, 0.0003371100000000 ] - [ 0.0004286300000000, 0.0002386300000000, -0.0003587200000000 ] - [ 0.0004848100000000, -0.0003187700000000, -0.0002182300000000 ] - [ -0.0004471800000000, -0.0002732800000000, 0.0002976200000000 ] - [ -0.0000082200000000, -0.0001499000000000, -0.0001467900000000 ] - [ 0.0000199700000000, -0.0001642100000000, 0.0002247000000000 ] - [ 0.0000502600000000, 0.0001184500000000, 0.0002026500000000 ] - [ -0.0002241200000000, -0.0038136500000000, 0.0017510500000000 ] - [ -0.0004274000000000, 0.0004233000000000, 0.0004787100000000 ] - [ 0.0009970400000000, 0.0003349200000000, -0.0001336700000000 ] - [ 0.0015244100000000, -0.0005248200000000, -0.0016080400000000 ] - [ -0.0003758300000000, -0.0004567700000000, 0.0004556900000000 ] - [ -0.0001762600000000, -0.0000259800000000, 0.0002730300000000 ] - [ 0.0001663100000000, -0.0000947100000000, -0.0001926500000000 ] - [ 0.0021197200000000, 0.0018722700000000, -0.0023494500000000 ] - [ -0.0003132700000000, 0.0000172500000000, 0.0003033900000000 ] - [ 0.0002398200000000, -0.0000246000000000, 0.0000611100000000 ] - [ -0.0014298300000000, -0.0002074700000000, -0.0005873000000000 ] - [ -0.0003483700000000, -0.0000603600000000, 0.0001883000000000 ] - [ -0.0015874200000000, -0.0013970700000000, -0.0022523200000000 ] - [ 0.0001788700000000, -0.0006014600000000, 0.0002051000000000 ] - [ -0.0001321300000000, -0.0007496500000000, -0.0000363800000000 ] - [ 0.0011883200000000, 0.0019541500000000, -0.0004385400000000 ] - [ -0.0000401300000000, 0.0008075600000000, 0.0001000400000000 ] - [ 0.0000493000000000, -0.0007088800000000, -0.0001652900000000 ] - [ -0.0000317800000000, 0.0005176700000000, 0.0002124600000000 ] - [ 0.0001530200000000, 0.0006269100000000, -0.0004375100000000 ] - [ -0.0000452300000000, -0.0003170800000000, 0.0000350600000000 ] - [ -0.0004125000000000, -0.0001399200000000, -0.0001013400000000 ] - [ 0.0007370600000000, -0.0000290300000000, 0.0001687700000000 ] - [ 0.0003792600000000, 0.0001381100000000, -0.0000093600000000 ] - [ -0.0003391600000000, 0.0002324000000000, 0.0000093800000000 ] - [ -0.0000384800000000, -0.0004611200000000, -0.0000525300000000 ] - [ -0.0000112400000000, 0.0004513100000000, 0.0000500900000000 ] - [ -0.0000104800000000, 0.0003781600000000, -0.0000302700000000 ] - [ -0.0076202000000000, 0.0033403000000000, 0.0030273800000000 ] - [ -0.0003388000000000, -0.0001250600000000, -0.0000083000000000 ] - [ 0.0005344700000000, 0.0001657200000000, 0.0001747600000000 ] - [ 0.0003551400000000, 0.0000411900000000, -0.0002480800000000 ] - [ -0.0003806900000000, 0.0001440500000000, 0.0000982800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028641400000000, 0.0148723600000000, -0.0151032700000000 ] - [ -0.0007011300000000, -0.0000791300000000, -0.0002560300000000 ] - [ -0.0008298100000000, -0.0001236900000000, 0.0000238300000000 ] - [ 0.0007446500000000, 0.0000965700000000, 0.0004911000000000 ] - [ 0.0002701500000000, -0.0002234600000000, -0.0011133300000000 ] - [ 0.0001985100000000, -0.0002774900000000, -0.0005871000000000 ] - [ 0.0001933800000000, 0.0002622900000000, -0.0006277300000000 ] - [ -0.0002810000000000, 0.0004091800000000, 0.0006881000000000 ] - [ 0.0005703700000000, -0.0004881500000000, 0.0004109400000000 ] - [ -0.0005125800000000, -0.0003528500000000, -0.0003456200000000 ] - [ 0.0018441500000000, 0.0078018200000000, 0.0024333700000000 ] - [ 0.0005822600000000, 0.0005450500000000, 0.0004168300000000 ] - [ 0.0007258600000000, -0.0001039900000000, 0.0003027000000000 ] - [ -0.0006733200000000, 0.0001446600000000, -0.0003914500000000 ] - [ -0.0009659300000000, 0.0028870600000000, -0.0011852600000000 ] - [ 0.0007002000000000, 0.0000899100000000, 0.0002520200000000 ] - [ -0.0002093800000000, -0.0002680100000000, 0.0005720400000000 ] - [ 0.0000403700000000, 0.0000401800000000, -0.0005899500000000 ] - [ 0.0205852100000000, 0.0587869300000000, -0.0214018700000000 ] - [ -0.0001978800000000, 0.0002654800000000, 0.0006200600000000 ] - [ 0.0021852500000000, 0.0008125700000000, 0.0009618400000000 ] - [ -0.0005914300000000, -0.0005490500000000, -0.0004284900000000 ] - [ -0.0005990700000000, 0.0005245100000000, -0.0003792300000000 ] - [ 0.0005862300000000, 0.0005471500000000, 0.0000502700000000 ] - [ -0.0201353700000000, -0.1023431300000000, 0.0373171500000000 ] - [ 0.0004379200000000, 0.0002731300000000, -0.0003184200000000 ] - [ 0.0004379700000000, -0.0001823400000000, -0.0003309000000000 ] - [ -0.0003379400000000, -0.0002829600000000, 0.0003671200000000 ] - [ -0.0000617900000000, -0.0001378100000000, -0.0001916800000000 ] - [ -0.0013791500000000, -0.0022172000000000, 0.0026526600000000 ] - [ 0.0000153600000000, 0.0001088300000000, -0.0001188600000000 ] - [ -0.0000745800000000, 0.0001490400000000, -0.0002093900000000 ] - [ 0.0031899400000000, 0.0007578500000000, 0.0017541200000000 ] - [ 0.0004021500000000, 0.0004671000000000, -0.0004336000000000 ] - [ 0.0003939600000000, -0.0004337800000000, -0.0004352800000000 ] - [ -0.0004376800000000, -0.0004620400000000, 0.0003576600000000 ] - [ -0.0008917000000000, -0.0013038100000000, 0.0003677300000000 ] - [ 0.0001781300000000, 0.0000037100000000, -0.0002458800000000 ] - [ 0.0002470600000000, 0.0000079200000000, -0.0002347200000000 ] - [ -0.0001204500000000, -0.0000146100000000, 0.0002885800000000 ] - [ 0.0003237400000000, -0.0000789500000000, -0.0001184700000000 ] - [ 0.0000586700000000, 0.0000339100000000, 0.0001410700000000 ] - [ -0.0003105200000000, 0.0000559800000000, 0.0001282800000000 ] - [ 0.0003276100000000, -0.0000380600000000, 0.0000052900000000 ] - [ 0.0001941900000000, -0.0007589100000000, 0.0001685200000000 ] - [ -0.0001298400000000, -0.0005776300000000, -0.0001957400000000 ] - [ -0.0001625500000000, 0.0005944300000000, -0.0002164700000000 ] - [ -0.0027131800000000, 0.0017972300000000, -0.0000981500000000 ] - [ -0.0003548100000000, 0.0002672200000000, 0.0002749300000000 ] - [ 0.0003633800000000, 0.0001768900000000, -0.0003407000000000 ] - [ 0.0004623300000000, -0.0002475100000000, -0.0003966000000000 ] - [ -0.0003960500000000, -0.0002628300000000, 0.0002929700000000 ] - [ -0.0002706400000000, 0.0000199900000000, -0.0006974000000000 ] - [ 0.0000817300000000, -0.0001569600000000, 0.0002190200000000 ] - [ 0.0000601900000000, 0.0001181300000000, 0.0001940300000000 ] - [ 0.0061025200000000, 0.0116416700000000, -0.0054990600000000 ] - [ -0.0004038400000000, 0.0004149700000000, 0.0004073100000000 ] - [ -0.0001282600000000, 0.0039521800000000, -0.0022169400000000 ] - [ 0.0011037200000000, -0.0010794600000000, -0.0026697700000000 ] - [ -0.0003984600000000, -0.0004576700000000, 0.0004345300000000 ] - [ -0.0001433900000000, -0.0000302500000000, 0.0002986500000000 ] - [ 0.0002038500000000, -0.0000455300000000, -0.0003216100000000 ] - [ -0.0022481100000000, 0.0023013300000000, -0.0028688800000000 ] - [ -0.0002075200000000, 0.0000127200000000, 0.0002447900000000 ] - [ 0.0003059700000000, -0.0000751500000000, -0.0001600100000000 ] - [ -0.0003226900000000, -0.0001931200000000, 0.0005183900000000 ] - [ -0.0003377700000000, 0.0000364800000000, 0.0001324900000000 ] - [ 0.0020484900000000, 0.0001358000000000, 0.0012455500000000 ] - [ 0.0001648000000000, -0.0006085600000000, 0.0001915100000000 ] - [ -0.0003308300000000, -0.0005669500000000, -0.0002845300000000 ] - [ -0.0017296500000000, 0.0024839800000000, 0.0039375000000000 ] - [ 0.0001690400000000, 0.0005854800000000, 0.0001838100000000 ] - [ -0.0000327200000000, -0.0005039100000000, 0.0000354800000000 ] - [ 0.0000869700000000, 0.0005346100000000, 0.0000438500000000 ] - [ -0.0000375100000000, 0.0003544000000000, -0.0000019600000000 ] - [ -0.0000238500000000, -0.0003758600000000, -0.0000339500000000 ] - [ -0.0003443000000000, -0.0001524800000000, 0.0000464900000000 ] - [ 0.0003958900000000, -0.0001408500000000, 0.0000128500000000 ] - [ 0.0003711900000000, 0.0001494400000000, 0.0000055600000000 ] - [ -0.0007115600000000, -0.0000388700000000, 0.0001014800000000 ] - [ 0.0000158700000000, -0.0005084700000000, -0.0000730900000000 ] - [ -0.0000085700000000, 0.0005046800000000, 0.0000612300000000 ] - [ 0.0000173500000000, 0.0003324300000000, -0.0000286700000000 ] - [ -0.0041155000000000, 0.0006589300000000, 0.0013677000000000 ] - [ -0.0003720600000000, -0.0001422100000000, -0.0000031700000000 ] - [ 0.0008325200000000, -0.0004540300000000, -0.0001966300000000 ] - [ 0.0002955600000000, 0.0001881300000000, 0.0003247200000000 ] - [ -0.0004161300000000, 0.0001334100000000, 0.0000037300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043024000000000, -0.0151208500000000, 0.0156908200000000 ] - [ -0.0007256300000000, -0.0000809500000000, -0.0002632900000000 ] - [ -0.0006469700000000, 0.0002790200000000, -0.0005151500000000 ] - [ 0.0007124400000000, 0.0000585300000000, 0.0000242400000000 ] - [ -0.0006570800000000, -0.0003038800000000, 0.0022997700000000 ] - [ 0.0001951300000000, -0.0002457900000000, -0.0005945800000000 ] - [ 0.0002152700000000, 0.0002659800000000, -0.0005628400000000 ] - [ -0.0001155900000000, 0.0001360800000000, 0.0004903500000000 ] - [ 0.0005811700000000, -0.0005072100000000, 0.0003909200000000 ] - [ -0.0006641000000000, -0.0006809800000000, -0.0004648600000000 ] - [ -0.0033716900000000, -0.0068948200000000, -0.0030127800000000 ] - [ 0.0006007700000000, 0.0005231000000000, 0.0003964400000000 ] - [ 0.0007178800000000, -0.0000448100000000, 0.0002327600000000 ] - [ -0.0007784900000000, -0.0003001300000000, -0.0001196000000000 ] - [ -0.0004206600000000, -0.0027163900000000, 0.0006393200000000 ] - [ 0.0007173800000000, 0.0000915300000000, 0.0002521300000000 ] - [ -0.0002027400000000, -0.0002435200000000, 0.0006514400000000 ] - [ 0.0003518100000000, -0.0005682100000000, -0.0005907500000000 ] - [ -0.0190215400000000, -0.0550163000000000, 0.0193809400000000 ] - [ -0.0002037600000000, 0.0002751300000000, 0.0005509600000000 ] - [ -0.0010196300000000, -0.0018236200000000, -0.0002120000000000 ] - [ -0.0005932200000000, -0.0005150400000000, -0.0004036300000000 ] - [ -0.0005478600000000, 0.0004686500000000, -0.0003709200000000 ] - [ 0.0006030900000000, 0.0005116100000000, 0.0008280600000000 ] - [ 0.0185005000000000, 0.0996730800000000, -0.0360974600000000 ] - [ 0.0003407300000000, 0.0002716400000000, -0.0002956000000000 ] - [ 0.0003115500000000, -0.0003011300000000, -0.0002793900000000 ] - [ -0.0004045300000000, -0.0002593200000000, 0.0002205100000000 ] - [ -0.0000658800000000, -0.0001515000000000, -0.0001889000000000 ] - [ 0.0015410000000000, 0.0019578100000000, -0.0022353200000000 ] - [ 0.0001316900000000, 0.0001286700000000, 0.0005374800000000 ] - [ -0.0000795000000000, 0.0001065400000000, -0.0002120400000000 ] - [ -0.0039892300000000, 0.0001382300000000, -0.0009042300000000 ] - [ 0.0004099000000000, 0.0004718100000000, -0.0004173500000000 ] - [ 0.0003700700000000, -0.0004448400000000, -0.0004601600000000 ] - [ -0.0003777900000000, -0.0004408000000000, 0.0005131100000000 ] - [ 0.0004728500000000, 0.0012645400000000, 0.0001846000000000 ] - [ 0.0001699700000000, 0.0000037800000000, -0.0002366500000000 ] - [ 0.0001330000000000, 0.0000297300000000, -0.0002696600000000 ] - [ -0.0002412000000000, 0.0000527300000000, 0.0002105900000000 ] - [ 0.0003407800000000, -0.0000838000000000, -0.0000971300000000 ] - [ -0.0007042600000000, -0.0001871700000000, 0.0000872600000000 ] - [ -0.0003083200000000, 0.0000862900000000, 0.0001116100000000 ] - [ 0.0002920000000000, 0.0001794000000000, -0.0002417800000000 ] - [ 0.0001143600000000, -0.0004674800000000, 0.0002121800000000 ] - [ -0.0001648100000000, -0.0006385600000000, -0.0002025200000000 ] - [ -0.0001358400000000, 0.0005934900000000, -0.0002180800000000 ] - [ 0.0030287200000000, -0.0005578100000000, 0.0004987800000000 ] - [ -0.0003656300000000, 0.0002606300000000, 0.0003229100000000 ] - [ 0.0004124100000000, 0.0003465400000000, -0.0002920600000000 ] - [ 0.0003146600000000, -0.0002330200000000, -0.0002208200000000 ] - [ -0.0003799600000000, -0.0002776600000000, 0.0002847300000000 ] - [ 0.0001273700000000, -0.0003059400000000, 0.0003142400000000 ] - [ 0.0000617600000000, -0.0001548700000000, 0.0002203600000000 ] - [ 0.0000622400000000, 0.0001222600000000, 0.0001970600000000 ] - [ -0.0061585800000000, -0.0111975700000000, 0.0050282700000000 ] - [ -0.0004158400000000, 0.0004624300000000, 0.0004331100000000 ] - [ 0.0009465400000000, -0.0031299400000000, 0.0013874900000000 ] - [ -0.0003247700000000, 0.0001613800000000, 0.0017921900000000 ] - [ -0.0004003700000000, -0.0004589000000000, 0.0004367900000000 ] - [ -0.0001974800000000, -0.0000202600000000, 0.0002388800000000 ] - [ 0.0001529800000000, 0.0000268300000000, -0.0001572200000000 ] - [ 0.0025513400000000, -0.0022109100000000, 0.0023482300000000 ] - [ -0.0001581500000000, 0.0000049100000000, 0.0002373100000000 ] - [ 0.0003460200000000, -0.0000802700000000, -0.0000637600000000 ] - [ -0.0003205600000000, 0.0000483600000000, -0.0002918500000000 ] - [ -0.0002940800000000, 0.0001118000000000, 0.0001078100000000 ] - [ -0.0014009700000000, 0.0000192700000000, -0.0014648200000000 ] - [ 0.0001692000000000, -0.0006127400000000, 0.0001720800000000 ] - [ 0.0000300900000000, -0.0006269700000000, -0.0001380300000000 ] - [ 0.0014241300000000, -0.0012974200000000, -0.0044029700000000 ] - [ 0.0001113500000000, 0.0006398700000000, 0.0002283300000000 ] - [ 0.0000366800000000, -0.0005033600000000, -0.0000320300000000 ] - [ -0.0000947500000000, 0.0004689900000000, -0.0000462500000000 ] - [ 0.0000472400000000, 0.0003395100000000, -0.0000031700000000 ] - [ 0.0000192600000000, -0.0003158400000000, 0.0000369100000000 ] - [ -0.0004012300000000, -0.0001450600000000, -0.0000512700000000 ] - [ 0.0003612000000000, -0.0001523000000000, -0.0000087500000000 ] - [ 0.0003742700000000, 0.0001427700000000, -0.0000031400000000 ] - [ -0.0000378900000000, 0.0003394500000000, -0.0001016000000000 ] - [ -0.0000170000000000, -0.0004982800000000, 0.0000713200000000 ] - [ -0.0000051800000000, 0.0005064800000000, -0.0000666200000000 ] - [ -0.0000065400000000, 0.0003628500000000, 0.0000254300000000 ] - [ 0.0040592300000000, -0.0013820800000000, -0.0013503800000000 ] - [ -0.0003719200000000, -0.0001529600000000, -0.0000030600000000 ] - [ -0.0000813200000000, 0.0001640700000000, 0.0002006600000000 ] - [ 0.0004479600000000, 0.0000952800000000, -0.0003206000000000 ] - [ -0.0003378300000000, 0.0001602200000000, -0.0000033000000000 ]- atom: 25 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ -0.0059934000000000, -0.0204093800000000, 0.0750661600000000 ] - [ -0.0007329300000000, -0.0000715600000000, -0.0002826900000000 ] - [ -0.0006436400000000, 0.0004082900000000, -0.0004980600000000 ] - [ 0.0008305400000000, 0.0001862100000000, 0.0000297500000000 ] - [ -0.0006690800000000, -0.0021884300000000, 0.0023851500000000 ] - [ 0.0001804100000000, -0.0002163600000000, -0.0006037400000000 ] - [ 0.0001618600000000, 0.0003056200000000, -0.0005887100000000 ] - [ -0.0001476000000000, 0.0005613200000000, 0.0013864400000000 ] - [ 0.0004944800000000, -0.0005371400000000, 0.0004795300000000 ] - [ -0.0006367200000000, -0.0005107500000000, 0.0001088300000000 ] - [ -0.0265499000000000, -0.0005965100000000, 0.0245860700000000 ] - [ 0.0006293600000000, 0.0004970100000000, 0.0003971300000000 ] - [ 0.0008126300000000, -0.0000512000000000, 0.0002621500000000 ] - [ -0.0005001600000000, -0.0001171500000000, 0.0001068600000000 ] - [ -0.0023725300000000, -0.0006502000000000, 0.0008538800000000 ] - [ 0.0007210200000000, 0.0001079500000000, 0.0002629900000000 ] - [ -0.0002270500000000, -0.0003472900000000, 0.0006123700000000 ] - [ 0.0005263500000000, -0.0003828400000000, -0.0004051600000000 ] - [ 0.0000571800000000, -0.0094352100000000, 0.0096200200000000 ] - [ -0.0001666000000000, 0.0002880400000000, 0.0005071200000000 ] - [ -0.0004175300000000, -0.0009567900000000, 0.0029058900000000 ] - [ -0.0005599300000000, -0.0005215500000000, -0.0003917600000000 ] - [ -0.0005794900000000, 0.0004133900000000, -0.0003984800000000 ] - [ -0.0000756000000000, 0.0004766500000000, -0.0002681300000000 ] - [ 0.0402030700000000, 0.0369010100000000, -0.1313757900000000 ] - [ 0.0003274700000000, 0.0002859800000000, -0.0002831600000000 ] - [ 0.0003527200000000, -0.0002649300000000, -0.0002433700000000 ] - [ -0.0003708700000000, -0.0003403200000000, 0.0003063700000000 ] - [ -0.0000660300000000, -0.0001553800000000, -0.0001931000000000 ] - [ -0.0021000700000000, 0.0029519000000000, 0.0035269300000000 ] - [ 0.0011987200000000, -0.0009500500000000, 0.0019688500000000 ] - [ -0.0001297700000000, 0.0001744800000000, -0.0002074100000000 ] - [ 0.0001772500000000, 0.0011855000000000, -0.0024028100000000 ] - [ 0.0004002700000000, 0.0004595600000000, -0.0004393000000000 ] - [ 0.0003383900000000, -0.0004373400000000, -0.0004891300000000 ] - [ -0.0003389400000000, -0.0007214100000000, 0.0004905200000000 ] - [ -0.0049668400000000, -0.0017906600000000, 0.0023114100000000 ] - [ 0.0001174000000000, 0.0000041400000000, -0.0002306900000000 ] - [ 0.0001740100000000, 0.0000774000000000, -0.0002534600000000 ] - [ -0.0002251500000000, -0.0000173700000000, 0.0002174100000000 ] - [ 0.0003306700000000, -0.0001029500000000, -0.0001163400000000 ] - [ -0.0005625500000000, -0.0003742300000000, 0.0001059700000000 ] - [ -0.0003391600000000, 0.0000657700000000, 0.0001039200000000 ] - [ 0.0002753700000000, 0.0000554100000000, -0.0002552000000000 ] - [ -0.0001324900000000, -0.0002272100000000, 0.0002964300000000 ] - [ -0.0002428300000000, -0.0005707600000000, -0.0001516600000000 ] - [ -0.0001428700000000, 0.0006362600000000, -0.0001977000000000 ] - [ 0.0013303000000000, 0.0000667600000000, -0.0013615100000000 ] - [ -0.0003958600000000, 0.0002401100000000, 0.0003416100000000 ] - [ 0.0004239100000000, 0.0002868100000000, -0.0003935500000000 ] - [ 0.0002973200000000, -0.0003371500000000, -0.0001368700000000 ] - [ -0.0004040300000000, -0.0002683800000000, 0.0002952800000000 ] - [ -0.0002127700000000, -0.0002530400000000, -0.0000778100000000 ] - [ 0.0000336800000000, -0.0001644200000000, 0.0002336700000000 ] - [ 0.0000509700000000, 0.0001232700000000, 0.0001984800000000 ] - [ -0.0009699900000000, -0.0009413300000000, -0.0006481500000000 ] - [ -0.0003260300000000, 0.0004831000000000, 0.0004087600000000 ] - [ 0.0007534200000000, -0.0000764400000000, 0.0001904400000000 ] - [ -0.0008719000000000, -0.0043355700000000, 0.0104321400000000 ] - [ -0.0003952400000000, -0.0004539900000000, 0.0004403300000000 ] - [ -0.0001776500000000, -0.0000749600000000, 0.0002598200000000 ] - [ 0.0002371000000000, -0.0000095100000000, -0.0002327500000000 ] - [ 0.0024273800000000, -0.0025248000000000, -0.0005787100000000 ] - [ -0.0002085200000000, 0.0000172300000000, 0.0002878900000000 ] - [ 0.0003645100000000, -0.0000022900000000, 0.0001086200000000 ] - [ -0.0006699100000000, 0.0001441300000000, -0.0003366500000000 ] - [ -0.0002774700000000, 0.0000011600000000, 0.0001860600000000 ] - [ 0.0020215600000000, -0.0003316300000000, 0.0005792200000000 ] - [ 0.0002185500000000, -0.0006264700000000, 0.0001323200000000 ] - [ 0.0000908100000000, -0.0010123800000000, -0.0002085100000000 ] - [ 0.0004988900000000, 0.0041738000000000, 0.0012974100000000 ] - [ 0.0000697400000000, 0.0006798900000000, 0.0002355800000000 ] - [ 0.0000475500000000, -0.0005801400000000, -0.0000404400000000 ] - [ 0.0000614400000000, 0.0004733300000000, 0.0001076300000000 ] - [ 0.0001080000000000, 0.0004486800000000, -0.0001832800000000 ] - [ 0.0000421500000000, -0.0003337200000000, -0.0000066600000000 ] - [ -0.0003264800000000, -0.0001282600000000, -0.0000106800000000 ] - [ 0.0005901900000000, -0.0000934900000000, 0.0000704800000000 ] - [ 0.0003972200000000, 0.0001451800000000, 0.0000020800000000 ] - [ -0.0004121000000000, 0.0002800100000000, -0.0000108100000000 ] - [ -0.0002798500000000, -0.0003719000000000, 0.0000867900000000 ] - [ -0.0000113100000000, 0.0004891800000000, -0.0000622600000000 ] - [ -0.0000189200000000, 0.0003827300000000, 0.0000615000000000 ] - [ -0.0025284100000000, 0.0006475000000000, -0.0003171100000000 ] - [ -0.0003895100000000, -0.0001553300000000, -0.0000079500000000 ] - [ 0.0004422500000000, 0.0006978400000000, 0.0004221700000000 ] - [ 0.0002427100000000, 0.0000741900000000, -0.0004834400000000 ] - [ -0.0002931000000000, 0.0001234200000000, 0.0000965600000000 ]- atom: 25 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0074584900000000, 0.0213805000000000, -0.0783009300000000 ] - [ -0.0006861600000000, -0.0000829700000000, -0.0002378400000000 ] - [ -0.0008385100000000, -0.0002434100000000, -0.0000029200000000 ] - [ 0.0006333500000000, -0.0000344200000000, 0.0005000900000000 ] - [ 0.0003109600000000, 0.0016752300000000, -0.0011821400000000 ] - [ 0.0002070300000000, -0.0003035800000000, -0.0005695300000000 ] - [ 0.0002487300000000, 0.0002203800000000, -0.0006036200000000 ] - [ -0.0002625400000000, -0.0000265300000000, -0.0001889300000000 ] - [ 0.0006518600000000, -0.0004473200000000, 0.0003309100000000 ] - [ -0.0005424800000000, -0.0005267900000000, -0.0009017700000000 ] - [ 0.0258729800000000, 0.0016692100000000, -0.0254932500000000 ] - [ 0.0005510500000000, 0.0005706300000000, 0.0004030800000000 ] - [ 0.0006298200000000, -0.0000914500000000, 0.0002841200000000 ] - [ -0.0009536100000000, -0.0000340000000000, -0.0006114200000000 ] - [ 0.0009650900000000, 0.0008342600000000, -0.0013480100000000 ] - [ 0.0007013600000000, 0.0000836700000000, 0.0002405200000000 ] - [ -0.0001818400000000, -0.0001654400000000, 0.0006055800000000 ] - [ -0.0001359200000000, -0.0001366400000000, -0.0007803300000000 ] - [ 0.0002669800000000, 0.0097427200000000, -0.0106564600000000 ] - [ -0.0002307000000000, 0.0002641900000000, 0.0006594200000000 ] - [ 0.0016072100000000, 0.0000559600000000, -0.0021334100000000 ] - [ -0.0006203900000000, -0.0005298600000000, -0.0004435700000000 ] - [ -0.0005732900000000, 0.0005857100000000, -0.0003401300000000 ] - [ 0.0012300700000000, 0.0005934200000000, 0.0010645900000000 ] - [ -0.0414737700000000, -0.0374417700000000, 0.1360269800000000 ] - [ 0.0004548000000000, 0.0002563200000000, -0.0003387500000000 ] - [ 0.0003973400000000, -0.0002154900000000, -0.0003673600000000 ] - [ -0.0003734400000000, -0.0002029700000000, 0.0002772600000000 ] - [ -0.0000628800000000, -0.0001465900000000, -0.0001844700000000 ] - [ 0.0022810800000000, -0.0033105300000000, -0.0031735000000000 ] - [ -0.0010184600000000, 0.0011687600000000, -0.0015065300000000 ] - [ -0.0000257100000000, 0.0000740200000000, -0.0002152700000000 ] - [ -0.0010120500000000, -0.0003122500000000, 0.0032146800000000 ] - [ 0.0004122900000000, 0.0004814600000000, -0.0004165800000000 ] - [ 0.0004232000000000, -0.0004407700000000, -0.0004128600000000 ] - [ -0.0004720700000000, -0.0001856500000000, 0.0003918900000000 ] - [ 0.0046393300000000, 0.0017830800000000, -0.0017945700000000 ] - [ 0.0002215800000000, 0.0000023800000000, -0.0002512700000000 ] - [ 0.0002110200000000, -0.0000392800000000, -0.0002489900000000 ] - [ -0.0001296100000000, 0.0000622500000000, 0.0002823400000000 ] - [ 0.0003355200000000, -0.0000615700000000, -0.0000999900000000 ] - [ -0.0000915100000000, 0.0002175500000000, 0.0001195000000000 ] - [ -0.0002683600000000, 0.0000675200000000, 0.0001376000000000 ] - [ 0.0003402100000000, 0.0000836300000000, 0.0000145600000000 ] - [ 0.0004444200000000, -0.0010047300000000, 0.0000785700000000 ] - [ -0.0000561400000000, -0.0006504200000000, -0.0002388900000000 ] - [ -0.0001589200000000, 0.0005441800000000, -0.0002448600000000 ] - [ -0.0010589900000000, 0.0011813300000000, 0.0017506900000000 ] - [ -0.0003235300000000, 0.0002905800000000, 0.0002579300000000 ] - [ 0.0003498300000000, 0.0002338200000000, -0.0002481300000000 ] - [ 0.0004871900000000, -0.0001583500000000, -0.0004880500000000 ] - [ -0.0003733200000000, -0.0002696600000000, 0.0002792800000000 ] - [ 0.0000682100000000, -0.0000409100000000, -0.0003058900000000 ] - [ 0.0001099700000000, -0.0001567800000000, 0.0002029600000000 ] - [ 0.0000742000000000, 0.0001124100000000, 0.0001930500000000 ] - [ 0.0008278600000000, 0.0011670500000000, 0.0002628900000000 ] - [ -0.0004981500000000, 0.0003951100000000, 0.0004318500000000 ] - [ 0.0000608400000000, 0.0009907600000000, -0.0010592800000000 ] - [ 0.0016622100000000, 0.0035059100000000, -0.0115734500000000 ] - [ -0.0004012500000000, -0.0004603600000000, 0.0004370300000000 ] - [ -0.0001555500000000, 0.0000237400000000, 0.0002782000000000 ] - [ 0.0001184900000000, -0.0000056900000000, -0.0002464100000000 ] - [ -0.0021136600000000, 0.0025611300000000, 0.0000969400000000 ] - [ -0.0001610400000000, 0.0000026800000000, 0.0001937400000000 ] - [ 0.0002823800000000, -0.0001531000000000, -0.0003363000000000 ] - [ 0.0000363200000000, -0.0002880600000000, 0.0005918500000000 ] - [ -0.0003472500000000, 0.0001421000000000, 0.0000563100000000 ] - [ -0.0014256000000000, 0.0004502000000000, -0.0008332200000000 ] - [ 0.0001168800000000, -0.0005991600000000, 0.0002252000000000 ] - [ -0.0004020800000000, -0.0001773600000000, -0.0002067400000000 ] - [ -0.0008042700000000, -0.0029416700000000, -0.0017216500000000 ] - [ 0.0002098000000000, 0.0005441400000000, 0.0001763200000000 ] - [ -0.0000427800000000, -0.0004275200000000, 0.0000404100000000 ] - [ -0.0000734800000000, 0.0005294700000000, -0.0001121800000000 ] - [ -0.0000955100000000, 0.0002462000000000, 0.0001766400000000 ] - [ -0.0000461800000000, -0.0003597700000000, 0.0000099300000000 ] - [ -0.0004227700000000, -0.0001685000000000, 0.0000039400000000 ] - [ 0.0001675700000000, -0.0002008400000000, -0.0000697500000000 ] - [ 0.0003489700000000, 0.0001433400000000, -0.0000006200000000 ] - [ -0.0003339600000000, 0.0000126800000000, 0.0000121700000000 ] - [ 0.0002810900000000, -0.0006348100000000, -0.0000926200000000 ] - [ 0.0000066200000000, 0.0005143800000000, 0.0000607300000000 ] - [ 0.0000313300000000, 0.0003081300000000, -0.0000716300000000 ] - [ 0.0025193200000000, -0.0013444800000000, 0.0003111200000000 ] - [ -0.0003548900000000, -0.0001415400000000, 0.0000022600000000 ] - [ 0.0003057300000000, -0.0009970600000000, -0.0004090600000000 ] - [ 0.0005074800000000, 0.0002162300000000, 0.0004752400000000 ] - [ -0.0004654700000000, 0.0001716000000000, -0.0000952300000000 ]- atom: 29 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0007514100000000, -0.0000734100000000, 0.0002629800000000 ] - [ 0.0226218200000000, 0.0323577000000000, -0.0103444500000000 ] - [ -0.0004288300000000, -0.0000660600000000, -0.0001772900000000 ] - [ 0.0005622800000000, -0.0000345000000000, 0.0002385900000000 ] - [ -0.0002317900000000, -0.0002451500000000, 0.0005730000000000 ] - [ 0.0186893400000000, -0.0245645900000000, -0.0022867400000000 ] - [ 0.0006920600000000, -0.0001415800000000, -0.0003323500000000 ] - [ -0.0002167700000000, 0.0002770000000000, 0.0005836300000000 ] - [ 0.0012902000000000, -0.0002102000000000, 0.0009373000000000 ] - [ -0.0005737400000000, -0.0005186200000000, -0.0003620200000000 ] - [ -0.0005928300000000, 0.0004938800000000, -0.0003749100000000 ] - [ 0.0173766600000000, -0.0151247500000000, 0.0092535600000000 ] - [ 0.0005277000000000, -0.0000525000000000, 0.0003660600000000 ] - [ -0.0008066000000000, -0.0000847900000000, -0.0002446300000000 ] - [ -0.0007984900000000, 0.0000626700000000, -0.0002662700000000 ] - [ -0.0003636600000000, -0.0003499800000000, 0.0002073000000000 ] - [ 0.0002233200000000, -0.0002383400000000, 0.0004253300000000 ] - [ 0.0001074700000000, -0.0002274500000000, -0.0007775000000000 ] - [ 0.0002029100000000, 0.0003100800000000, -0.0005038700000000 ] - [ 0.0015908700000000, 0.0010517600000000, 0.0020928200000000 ] - [ 0.0005736000000000, -0.0004850500000000, 0.0003578400000000 ] - [ 0.0014749600000000, -0.0004952000000000, -0.0020250200000000 ] - [ -0.0004959600000000, 0.0005808600000000, -0.0001911900000000 ] - [ 0.0005161900000000, 0.0005296700000000, 0.0004833100000000 ] - [ -0.0003301700000000, 0.0002684500000000, 0.0002928700000000 ] - [ -0.0004801800000000, 0.0017368200000000, -0.0025229200000000 ] - [ 0.0003133600000000, -0.0002968900000000, 0.0008090300000000 ] - [ -0.0003568900000000, -0.0002761600000000, 0.0002432300000000 ] - [ -0.0835211200000000, 0.0094973700000000, 0.0035099000000000 ] - [ 0.0000730000000000, -0.0001482700000000, 0.0002220100000000 ] - [ 0.0001457700000000, 0.0001381300000000, 0.0001994200000000 ] - [ -0.0003000500000000, -0.0000353500000000, -0.0003650800000000 ] - [ -0.0003948900000000, 0.0004367900000000, 0.0004226800000000 ] - [ 0.0001033500000000, -0.0033853100000000, 0.0034368500000000 ] - [ 0.0003894500000000, -0.0003210400000000, -0.0011577800000000 ] - [ -0.0003128200000000, -0.0004166400000000, 0.0004946000000000 ] - [ -0.0001050900000000, -0.0000188700000000, 0.0002710600000000 ] - [ 0.0030260000000000, -0.0033849800000000, 0.0007897000000000 ] - [ 0.0001157600000000, 0.0000456700000000, -0.0002434200000000 ] - [ -0.0000119300000000, 0.0000267800000000, 0.0002597000000000 ] - [ 0.0006155200000000, 0.0001315600000000, -0.0002066900000000 ] - [ -0.0002422300000000, -0.0000557800000000, 0.0001386900000000 ] - [ -0.0002737400000000, 0.0001900400000000, 0.0003067600000000 ] - [ 0.0002952500000000, -0.0000014900000000, -0.0000491600000000 ] - [ 0.0001700800000000, -0.0005964700000000, 0.0002318300000000 ] - [ 0.0007502500000000, -0.0016242700000000, -0.0034527600000000 ] - [ 0.0004540200000000, 0.0023054100000000, 0.0019169100000000 ] - [ 0.0001741000000000, 0.0006247400000000, 0.0001625300000000 ] - [ -0.0004199000000000, 0.0000643300000000, 0.0001546400000000 ] - [ 0.0004369300000000, 0.0002510000000000, -0.0003545800000000 ] - [ 0.0003944700000000, -0.0002464300000000, -0.0003201400000000 ] - [ -0.0002317700000000, -0.0064172500000000, -0.0006021200000000 ] - [ -0.0000421100000000, -0.0001237400000000, -0.0002101600000000 ] - [ 0.0000403400000000, -0.0002038200000000, 0.0002350600000000 ] - [ -0.0003880700000000, 0.0000341200000000, 0.0003996600000000 ] - [ -0.0000437700000000, 0.0001352900000000, -0.0001909700000000 ] - [ -0.0006547800000000, 0.0003909400000000, 0.0004259200000000 ] - [ 0.0004237700000000, 0.0004708400000000, -0.0004002600000000 ] - [ 0.0004230200000000, -0.0004577100000000, -0.0004189900000000 ] - [ -0.0011224500000000, 0.0019654100000000, 0.0019436500000000 ] - [ -0.0003223600000000, 0.0000099700000000, 0.0002701100000000 ] - [ 0.0004869000000000, 0.0000936700000000, -0.0001586100000000 ] - [ 0.0001855100000000, 0.0000168300000000, -0.0002501000000000 ] - [ 0.0028602200000000, 0.0091740500000000, -0.0022583900000000 ] - [ 0.0003769300000000, 0.0003367900000000, -0.0001379200000000 ] - [ -0.0004138200000000, -0.0001549200000000, 0.0000943100000000 ] - [ 0.0056039600000000, -0.0002115100000000, 0.0009551600000000 ] - [ 0.0002884200000000, 0.0000664200000000, -0.0001422100000000 ] - [ 0.0000480100000000, -0.0007279200000000, 0.0005747000000000 ] - [ -0.0001666200000000, -0.0006246700000000, -0.0001457000000000 ] - [ -0.0000840400000000, 0.0005905700000000, -0.0003179200000000 ] - [ 0.0000057000000000, 0.0005821300000000, -0.0000494400000000 ] - [ -0.0002086400000000, -0.0004139000000000, 0.0000252300000000 ] - [ -0.0001913300000000, 0.0004676000000000, 0.0000539900000000 ] - [ -0.0001320800000000, 0.0002607200000000, -0.0000671400000000 ] - [ -0.0001969000000000, -0.0003552000000000, -0.0000609400000000 ] - [ -0.0004260900000000, -0.0001824500000000, -0.0000020300000000 ] - [ 0.0002967700000000, -0.0001583300000000, -0.0000883300000000 ] - [ 0.0045084800000000, 0.0041935900000000, 0.0010999900000000 ] - [ -0.0004423400000000, 0.0001651100000000, -0.0000088800000000 ] - [ 0.0000013300000000, -0.0005210300000000, -0.0002026800000000 ] - [ -0.0000900600000000, 0.0003874300000000, 0.0003361400000000 ] - [ 0.0000310500000000, 0.0003768900000000, -0.0001642700000000 ] - [ 0.0000136300000000, -0.0002454300000000, 0.0001688800000000 ] - [ 0.0059667200000000, -0.0066624700000000, -0.0037922700000000 ] - [ 0.0003997000000000, -0.0001551100000000, 0.0000032300000000 ] - [ 0.0000938700000000, 0.0000734900000000, -0.0000073800000000 ] - [ -0.0002975400000000, 0.0001630000000000, 0.0000053500000000 ]- atom: 29 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ 0.0006874500000000, -0.0000969900000000, 0.0002827600000000 ] - [ -0.0232621600000000, -0.0313828300000000, 0.0095021300000000 ] - [ -0.0010508000000000, 0.0002216800000000, -0.0003100700000000 ] - [ 0.0009003000000000, 0.0001845900000000, 0.0002860600000000 ] - [ -0.0001627900000000, -0.0002901700000000, 0.0006416000000000 ] - [ -0.0183550100000000, 0.0243962800000000, 0.0012186700000000 ] - [ -0.0002829200000000, 0.0006670600000000, -0.0008586700000000 ] - [ -0.0001907400000000, 0.0002645800000000, 0.0006024200000000 ] - [ -0.0001333900000000, -0.0007706200000000, -0.0001363300000000 ] - [ -0.0006044800000000, -0.0005137000000000, -0.0004427600000000 ] - [ -0.0005656000000000, 0.0005247800000000, -0.0003896200000000 ] - [ -0.0162413600000000, 0.0163643700000000, -0.0086477400000000 ] - [ 0.0009140400000000, -0.0000970000000000, 0.0001780600000000 ] - [ -0.0006438100000000, -0.0000657300000000, -0.0002664400000000 ] - [ -0.0006485500000000, 0.0000872300000000, -0.0002164100000000 ] - [ 0.0018072500000000, 0.0005321600000000, 0.0003010700000000 ] - [ -0.0006276000000000, -0.0002737000000000, 0.0007895900000000 ] - [ 0.0002756500000000, -0.0002911000000000, -0.0004005100000000 ] - [ 0.0002065300000000, 0.0002062700000000, -0.0006774500000000 ] - [ -0.0019975200000000, -0.0004453900000000, -0.0009702800000000 ] - [ 0.0005770900000000, -0.0004986800000000, 0.0004474300000000 ] - [ -0.0026717100000000, -0.0004816200000000, 0.0012027200000000 ] - [ -0.0006558200000000, 0.0004209200000000, -0.0005476800000000 ] - [ 0.0006523300000000, 0.0005260400000000, 0.0003282200000000 ] - [ -0.0003929500000000, 0.0002633700000000, 0.0002924900000000 ] - [ 0.0012599100000000, -0.0011941300000000, 0.0018990700000000 ] - [ 0.0004398000000000, -0.0001851000000000, -0.0014028700000000 ] - [ -0.0003875900000000, -0.0002682400000000, 0.0003420000000000 ] - [ 0.0826484300000000, -0.0113149500000000, -0.0033244300000000 ] - [ 0.0000735600000000, -0.0001446400000000, 0.0002116000000000 ] - [ -0.0000021100000000, 0.0001036600000000, 0.0002119800000000 ] - [ 0.0001463100000000, 0.0002814200000000, -0.0000581000000000 ] - [ -0.0004293600000000, 0.0004472000000000, 0.0003961100000000 ] - [ 0.0007377100000000, 0.0042930300000000, -0.0042609300000000 ] - [ 0.0003689500000000, -0.0005683800000000, 0.0002631500000000 ] - [ -0.0005045700000000, -0.0004792900000000, 0.0003727300000000 ] - [ -0.0002579500000000, -0.0000104900000000, 0.0002574700000000 ] - [ -0.0027515400000000, 0.0034777200000000, -0.0012942500000000 ] - [ 0.0002675700000000, -0.0000110300000000, -0.0002575600000000 ] - [ -0.0003473100000000, 0.0000137400000000, 0.0002392000000000 ] - [ 0.0000449900000000, -0.0002921400000000, -0.0000115200000000 ] - [ -0.0004044700000000, -0.0000972700000000, 0.0000882600000000 ] - [ -0.0003366400000000, -0.0000578000000000, -0.0000654600000000 ] - [ 0.0003234200000000, 0.0001406000000000, -0.0001905100000000 ] - [ 0.0001454800000000, -0.0006388900000000, 0.0001395100000000 ] - [ -0.0010386800000000, 0.0004184900000000, 0.0030732700000000 ] - [ -0.0007358300000000, -0.0011249400000000, -0.0023676200000000 ] - [ 0.0001185000000000, 0.0006141400000000, 0.0002283900000000 ] - [ -0.0003016700000000, 0.0004626900000000, 0.0004427900000000 ] - [ 0.0003362900000000, 0.0002713700000000, -0.0002816900000000 ] - [ 0.0003907800000000, -0.0002453600000000, -0.0002992100000000 ] - [ -0.0005184800000000, 0.0058450400000000, 0.0011753100000000 ] - [ -0.0001058600000000, -0.0001618900000000, -0.0001804000000000 ] - [ 0.0001013500000000, -0.0001133100000000, 0.0002021600000000 ] - [ 0.0005138700000000, 0.0002206400000000, -0.0000100800000000 ] - [ -0.0000911900000000, 0.0001411100000000, -0.0002066300000000 ] - [ -0.0001705900000000, 0.0004869200000000, 0.0004145400000000 ] - [ 0.0003850400000000, 0.0004448700000000, -0.0004675800000000 ] - [ 0.0003421600000000, -0.0004467500000000, -0.0004973100000000 ] - [ 0.0003201100000000, -0.0028798200000000, -0.0010640300000000 ] - [ -0.0000147400000000, -0.0000558100000000, 0.0002668100000000 ] - [ -0.0001299300000000, -0.0001088900000000, -0.0003206000000000 ] - [ 0.0001590400000000, 0.0000157600000000, -0.0002344900000000 ] - [ -0.0032392400000000, -0.0091753200000000, 0.0027455400000000 ] - [ 0.0002761900000000, -0.0004900900000000, -0.0000889300000000 ] - [ -0.0002247400000000, 0.0000094500000000, 0.0001389100000000 ] - [ -0.0061818300000000, 0.0003927600000000, -0.0007266100000000 ] - [ 0.0003416100000000, 0.0000757200000000, -0.0000950200000000 ] - [ 0.0002850300000000, -0.0004994900000000, -0.0002185000000000 ] - [ -0.0001432400000000, -0.0005590900000000, -0.0002807700000000 ] - [ -0.0002250400000000, 0.0006043500000000, -0.0001137200000000 ] - [ 0.0002802200000000, 0.0006361600000000, 0.0004659300000000 ] - [ 0.0002187300000000, -0.0005929200000000, -0.0000253800000000 ] - [ 0.0001777500000000, 0.0005351900000000, -0.0000599400000000 ] - [ 0.0001409600000000, 0.0004329100000000, 0.0000623500000000 ] - [ 0.0001943000000000, -0.0003391600000000, 0.0000634000000000 ] - [ -0.0003214600000000, -0.0001145100000000, -0.0000045800000000 ] - [ 0.0004626200000000, -0.0001358000000000, 0.0000888800000000 ] - [ -0.0038691900000000, -0.0040312800000000, -0.0011338200000000 ] - [ -0.0003091600000000, 0.0001314500000000, 0.0000075900000000 ] - [ 0.0000034900000000, -0.0004844100000000, 0.0002048000000000 ] - [ 0.0000784300000000, 0.0006188100000000, -0.0003413800000000 ] - [ -0.0000203200000000, 0.0003139500000000, 0.0001596400000000 ] - [ -0.0000220500000000, -0.0004495300000000, -0.0001666900000000 ] - [ -0.0065850700000000, 0.0061792700000000, 0.0036791700000000 ] - [ 0.0003529900000000, -0.0001408300000000, -0.0000016400000000 ] - [ 0.0006600500000000, 0.0002203600000000, 0.0000105100000000 ] - [ -0.0004592000000000, 0.0001309500000000, -0.0000080400000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007550800000000, -0.0000504200000000, 0.0002562900000000 ] - [ 0.0197213400000000, 0.0435438500000000, -0.0086823000000000 ] - [ -0.0009194100000000, 0.0005987000000000, 0.0002312500000000 ] - [ 0.0007922600000000, -0.0001115900000000, 0.0004043500000000 ] - [ -0.0002106300000000, -0.0002543200000000, 0.0006463200000000 ] - [ -0.0184156700000000, 0.0665785900000000, 0.0132570900000000 ] - [ 0.0004493900000000, -0.0002394800000000, -0.0010954200000000 ] - [ -0.0002348300000000, 0.0002540900000000, 0.0005229600000000 ] - [ -0.0005666600000000, -0.0013536200000000, 0.0000080000000000 ] - [ -0.0006019700000000, -0.0005164500000000, -0.0003398700000000 ] - [ -0.0005951800000000, 0.0005040300000000, -0.0003942800000000 ] - [ -0.0084147900000000, 0.0300511800000000, -0.0181952700000000 ] - [ 0.0007644200000000, -0.0000761700000000, 0.0005067900000000 ] - [ -0.0007953200000000, -0.0001126500000000, -0.0002469700000000 ] - [ -0.0007244500000000, 0.0001239000000000, -0.0002653900000000 ] - [ 0.0001396900000000, 0.0031049000000000, 0.0000557600000000 ] - [ -0.0001830100000000, -0.0003770400000000, 0.0006892000000000 ] - [ 0.0001538000000000, -0.0001270000000000, -0.0006466300000000 ] - [ 0.0002173500000000, 0.0002873000000000, -0.0005634800000000 ] - [ 0.0001713800000000, 0.0031824400000000, -0.0006098400000000 ] - [ 0.0005708400000000, -0.0005056300000000, 0.0004007400000000 ] - [ -0.0012532000000000, 0.0025926300000000, -0.0011720700000000 ] - [ -0.0007362700000000, -0.0000868500000000, -0.0007725300000000 ] - [ 0.0005511300000000, 0.0005338700000000, 0.0003673500000000 ] - [ -0.0003567400000000, 0.0002591800000000, 0.0002967800000000 ] - [ 0.0022477400000000, -0.0018381100000000, -0.0034050500000000 ] - [ 0.0007328100000000, -0.0002543300000000, -0.0013623900000000 ] - [ -0.0003425300000000, -0.0002478400000000, 0.0002528400000000 ] - [ 0.0104753200000000, -0.1736731400000000, 0.0148839700000000 ] - [ 0.0000743700000000, -0.0001517900000000, 0.0002152100000000 ] - [ 0.0000909400000000, 0.0001760500000000, 0.0001936700000000 ] - [ 0.0000830000000000, 0.0004498100000000, -0.0000569600000000 ] - [ -0.0004007000000000, 0.0004421200000000, 0.0004251200000000 ] - [ -0.0015193500000000, 0.0053372900000000, -0.0055282200000000 ] - [ 0.0004592400000000, -0.0001388300000000, -0.0006946800000000 ] - [ -0.0003810300000000, -0.0004409400000000, 0.0004664200000000 ] - [ -0.0001723400000000, -0.0000365100000000, 0.0002441700000000 ] - [ -0.0043965700000000, -0.0010662700000000, -0.0009540200000000 ] - [ 0.0002567400000000, 0.0000412700000000, -0.0000819400000000 ] - [ -0.0000153800000000, 0.0000255200000000, 0.0002863300000000 ] - [ 0.0002683700000000, -0.0001223100000000, -0.0000445700000000 ] - [ -0.0003348700000000, -0.0000005100000000, 0.0000973000000000 ] - [ -0.0003169400000000, 0.0002949100000000, 0.0000600400000000 ] - [ 0.0002652100000000, -0.0000089900000000, -0.0000812800000000 ] - [ 0.0001982300000000, -0.0006332400000000, 0.0001772600000000 ] - [ 0.0005205700000000, -0.0021426200000000, 0.0010747100000000 ] - [ 0.0005202100000000, -0.0018371200000000, 0.0020994800000000 ] - [ 0.0001611800000000, 0.0006079800000000, 0.0001953100000000 ] - [ -0.0003561000000000, 0.0004137900000000, 0.0002016300000000 ] - [ 0.0003803500000000, 0.0002556000000000, -0.0003153100000000 ] - [ 0.0003836900000000, -0.0002493100000000, -0.0003065000000000 ] - [ -0.0043617800000000, 0.0112652900000000, 0.0012508400000000 ] - [ -0.0000561400000000, -0.0001358600000000, -0.0002011100000000 ] - [ 0.0001198600000000, 0.0000225600000000, 0.0002278600000000 ] - [ -0.0000343400000000, 0.0007481200000000, 0.0000361700000000 ] - [ -0.0000726800000000, 0.0001330800000000, -0.0002087800000000 ] - [ -0.0003825100000000, 0.0005688400000000, 0.0003141600000000 ] - [ 0.0004146300000000, 0.0004537200000000, -0.0004278300000000 ] - [ 0.0003790600000000, -0.0004415800000000, -0.0004582900000000 ] - [ 0.0023446600000000, 0.0022532600000000, 0.0043337700000000 ] - [ -0.0001745200000000, -0.0000790200000000, 0.0002199900000000 ] - [ 0.0001676400000000, 0.0001185100000000, -0.0002607100000000 ] - [ 0.0001697800000000, 0.0000226800000000, -0.0002568800000000 ] - [ 0.0039616000000000, 0.0085851800000000, -0.0027167800000000 ] - [ 0.0002036300000000, 0.0002301100000000, -0.0002087000000000 ] - [ -0.0002345400000000, -0.0000270500000000, 0.0000799200000000 ] - [ 0.0002440900000000, -0.0035774800000000, 0.0014899800000000 ] - [ 0.0003057100000000, 0.0000861000000000, -0.0001110800000000 ] - [ 0.0003923100000000, -0.0000600600000000, 0.0002469700000000 ] - [ -0.0001553000000000, -0.0006154900000000, -0.0001933200000000 ] - [ -0.0000593400000000, 0.0006114800000000, -0.0002811400000000 ] - [ 0.0002819900000000, 0.0008530800000000, -0.0002238400000000 ] - [ -0.0003399900000000, -0.0005217700000000, 0.0002037400000000 ] - [ 0.0001336000000000, 0.0006646200000000, -0.0000329100000000 ] - [ 0.0002153000000000, 0.0005530700000000, -0.0000198700000000 ] - [ -0.0000380400000000, -0.0004284800000000, -0.0000599800000000 ] - [ -0.0004310300000000, -0.0001363500000000, -0.0000204200000000 ] - [ 0.0003856400000000, -0.0000375300000000, 0.0001945500000000 ] - [ 0.0033872800000000, 0.0017740400000000, 0.0010309500000000 ] - [ -0.0003950800000000, 0.0001311900000000, 0.0000057000000000 ] - [ 0.0000384700000000, -0.0004636600000000, -0.0001552700000000 ] - [ -0.0000008400000000, 0.0002224800000000, 0.0000963900000000 ] - [ 0.0002249500000000, 0.0003132000000000, 0.0001086200000000 ] - [ -0.0000149400000000, -0.0001964100000000, 0.0001351200000000 ] - [ -0.0060199700000000, 0.0038220800000000, 0.0031227800000000 ] - [ 0.0003877900000000, -0.0001556000000000, -0.0000018300000000 ] - [ 0.0002248900000000, 0.0002561300000000, -0.0000535800000000 ] - [ -0.0003725200000000, 0.0001815700000000, 0.0000934200000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007193100000000, -0.0000921500000000, 0.0002762300000000 ] - [ -0.0200262600000000, -0.0421976800000000, 0.0077628300000000 ] - [ -0.0005713400000000, -0.0004545100000000, -0.0007389700000000 ] - [ 0.0006896900000000, 0.0002486200000000, 0.0001225600000000 ] - [ -0.0002066500000000, -0.0002639300000000, 0.0005844300000000 ] - [ 0.0176450300000000, -0.0642990500000000, -0.0134722000000000 ] - [ -0.0000455700000000, 0.0007610800000000, -0.0000991200000000 ] - [ -0.0001749600000000, 0.0002776600000000, 0.0006769800000000 ] - [ 0.0017312900000000, 0.0003336700000000, 0.0007982700000000 ] - [ -0.0005718600000000, -0.0005278700000000, -0.0004673800000000 ] - [ -0.0005621500000000, 0.0005143400000000, -0.0003834800000000 ] - [ 0.0093252200000000, -0.0285905400000000, 0.0184226700000000 ] - [ 0.0007084400000000, -0.0000598800000000, 0.0000219200000000 ] - [ -0.0006874300000000, -0.0000235000000000, -0.0002692700000000 ] - [ -0.0007514300000000, 0.0000214000000000, -0.0002364100000000 ] - [ 0.0012934500000000, -0.0028884100000000, 0.0004077000000000 ] - [ -0.0002460200000000, -0.0001159400000000, 0.0005422200000000 ] - [ 0.0002454600000000, -0.0003939400000000, -0.0005517100000000 ] - [ 0.0001975300000000, 0.0002344400000000, -0.0006470500000000 ] - [ -0.0005865800000000, -0.0025830200000000, 0.0017600300000000 ] - [ 0.0005897100000000, -0.0005035100000000, 0.0004124700000000 ] - [ 0.0000721700000000, -0.0036096400000000, 0.0003067400000000 ] - [ -0.0004148700000000, 0.0010878100000000, 0.0000171800000000 ] - [ 0.0006253700000000, 0.0005247300000000, 0.0004568200000000 ] - [ -0.0003701500000000, 0.0002648300000000, 0.0002998100000000 ] - [ -0.0014438100000000, 0.0023394500000000, 0.0027771900000000 ] - [ 0.0000092000000000, -0.0002307100000000, 0.0007422300000000 ] - [ -0.0004040000000000, -0.0002923100000000, 0.0003457600000000 ] - [ -0.0103671200000000, 0.1683119900000000, -0.0149787300000000 ] - [ 0.0000759700000000, -0.0001406500000000, 0.0002166400000000 ] - [ 0.0000597900000000, 0.0000765500000000, 0.0002128400000000 ] - [ -0.0002355900000000, -0.0001856200000000, -0.0003700700000000 ] - [ -0.0004142400000000, 0.0004365600000000, 0.0004133600000000 ] - [ 0.0023058900000000, -0.0043066000000000, 0.0046055100000000 ] - [ 0.0003074500000000, -0.0007366700000000, -0.0001859100000000 ] - [ -0.0004353100000000, -0.0004539700000000, 0.0004073200000000 ] - [ -0.0001778800000000, -0.0000056200000000, 0.0002845000000000 ] - [ 0.0047018700000000, 0.0010440500000000, 0.0004832300000000 ] - [ 0.0001063900000000, 0.0000035000000000, -0.0004295500000000 ] - [ -0.0003357300000000, 0.0000245000000000, 0.0002123100000000 ] - [ 0.0003831700000000, -0.0000539700000000, -0.0001713900000000 ] - [ -0.0003008100000000, -0.0001517200000000, 0.0001306500000000 ] - [ -0.0002913500000000, -0.0001601900000000, 0.0001791300000000 ] - [ 0.0003486200000000, 0.0001518800000000, -0.0001620100000000 ] - [ 0.0001161800000000, -0.0006011500000000, 0.0002038100000000 ] - [ -0.0007791100000000, 0.0008861800000000, -0.0015377400000000 ] - [ -0.0008131800000000, 0.0030374500000000, -0.0025346200000000 ] - [ 0.0001321300000000, 0.0006322400000000, 0.0002020200000000 ] - [ -0.0003656100000000, 0.0000996200000000, 0.0004095800000000 ] - [ 0.0003961800000000, 0.0002676000000000, -0.0003236500000000 ] - [ 0.0003890500000000, -0.0002412000000000, -0.0003135800000000 ] - [ 0.0035169600000000, -0.0115728300000000, -0.0006528100000000 ] - [ -0.0000950400000000, -0.0001444600000000, -0.0001856400000000 ] - [ 0.0000266000000000, -0.0003357700000000, 0.0002129500000000 ] - [ 0.0001594700000000, -0.0005292200000000, 0.0003549900000000 ] - [ -0.0000721100000000, 0.0001412200000000, -0.0001985000000000 ] - [ -0.0004305100000000, 0.0002985100000000, 0.0005393500000000 ] - [ 0.0003906600000000, 0.0004622700000000, -0.0004510400000000 ] - [ 0.0003885800000000, -0.0004519200000000, -0.0004506400000000 ] - [ -0.0030984600000000, -0.0031542900000000, -0.0033819400000000 ] - [ -0.0001585100000000, 0.0000218000000000, 0.0003202400000000 ] - [ 0.0001843100000000, -0.0001441400000000, -0.0002150700000000 ] - [ 0.0001740600000000, 0.0000227600000000, -0.0002370800000000 ] - [ -0.0042374800000000, -0.0083942400000000, 0.0031410300000000 ] - [ 0.0004298900000000, -0.0003800400000000, -0.0000091800000000 ] - [ -0.0003947200000000, -0.0001196800000000, 0.0001516000000000 ] - [ -0.0009095700000000, 0.0037044000000000, -0.0012703000000000 ] - [ 0.0003142800000000, 0.0000594700000000, -0.0001274500000000 ] - [ -0.0000622800000000, -0.0011835600000000, 0.0001329100000000 ] - [ -0.0001461000000000, -0.0005851800000000, -0.0002321700000000 ] - [ -0.0002487200000000, 0.0005900900000000, -0.0001496400000000 ] - [ -0.0000018800000000, 0.0003703300000000, 0.0006423600000000 ] - [ 0.0003496600000000, -0.0004922000000000, -0.0002034700000000 ] - [ -0.0001462500000000, 0.0003422000000000, 0.0000250900000000 ] - [ -0.0002078700000000, 0.0001460000000000, 0.0000167900000000 ] - [ 0.0000350800000000, -0.0002664600000000, 0.0000635800000000 ] - [ -0.0003178600000000, -0.0001622700000000, 0.0000075100000000 ] - [ 0.0003687500000000, -0.0002556600000000, -0.0001853400000000 ] - [ -0.0027221400000000, -0.0015175200000000, -0.0010447600000000 ] - [ -0.0003512500000000, 0.0001692400000000, -0.0000108500000000 ] - [ -0.0000294900000000, -0.0005415300000000, 0.0001574200000000 ] - [ -0.0000114100000000, 0.0007880600000000, -0.0000961400000000 ] - [ -0.0002185500000000, 0.0003833700000000, -0.0001171200000000 ] - [ 0.0000099500000000, -0.0004983900000000, -0.0001325200000000 ] - [ 0.0054124700000000, -0.0041999000000000, -0.0032071800000000 ] - [ 0.0003609400000000, -0.0001434000000000, 0.0000079700000000 ] - [ 0.0005230300000000, 0.0000424700000000, 0.0000584000000000 ] - [ -0.0003800200000000, 0.0001142800000000, -0.0000954200000000 ]- atom: 29 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0007370200000000, -0.0000715500000000, 0.0002309800000000 ] - [ -0.0073104400000000, -0.0092479500000000, 0.0139199800000000 ] - [ -0.0007146900000000, -0.0000196200000000, 0.0004729100000000 ] - [ 0.0008061200000000, 0.0001669900000000, 0.0002336500000000 ] - [ -0.0001944700000000, -0.0002525500000000, 0.0006066800000000 ] - [ -0.0048163200000000, 0.0233985800000000, 0.0116352000000000 ] - [ 0.0008438100000000, 0.0003780500000000, -0.0006189000000000 ] - [ -0.0002036000000000, 0.0002555000000000, 0.0006746500000000 ] - [ 0.0003812900000000, -0.0004777800000000, 0.0000242900000000 ] - [ -0.0006187300000000, -0.0005288200000000, -0.0004412900000000 ] - [ -0.0005849900000000, 0.0005414100000000, -0.0004071000000000 ] - [ 0.0081582500000000, -0.0304841200000000, 0.0358652300000000 ] - [ 0.0005751600000000, -0.0002674200000000, 0.0001515100000000 ] - [ -0.0007200900000000, -0.0001137000000000, -0.0003034100000000 ] - [ -0.0007552300000000, 0.0000180200000000, -0.0002569400000000 ] - [ 0.0003311300000000, 0.0006063600000000, 0.0019606800000000 ] - [ -0.0001762500000000, -0.0000272500000000, 0.0002570500000000 ] - [ 0.0002293600000000, -0.0002539600000000, -0.0005315900000000 ] - [ 0.0001899700000000, 0.0002437900000000, -0.0006138100000000 ] - [ 0.0014675800000000, -0.0004004800000000, 0.0009040300000000 ] - [ 0.0005970700000000, -0.0005068100000000, 0.0003988100000000 ] - [ -0.0018609200000000, -0.0009953000000000, -0.0005136300000000 ] - [ -0.0005295900000000, 0.0006209300000000, -0.0000530900000000 ] - [ 0.0005984300000000, 0.0005358300000000, 0.0003896700000000 ] - [ -0.0003632500000000, 0.0002675000000000, 0.0002871700000000 ] - [ -0.0019498400000000, -0.0021912100000000, 0.0029931300000000 ] - [ 0.0010087800000000, -0.0005781000000000, 0.0014494600000000 ] - [ -0.0003603100000000, -0.0002773100000000, 0.0002935500000000 ] - [ 0.0057340500000000, 0.0137118000000000, -0.0790179300000000 ] - [ 0.0000771300000000, -0.0001415200000000, 0.0002218100000000 ] - [ 0.0000631000000000, 0.0001071900000000, 0.0002229500000000 ] - [ -0.0002250700000000, -0.0000320100000000, -0.0001629300000000 ] - [ -0.0003884800000000, 0.0004313200000000, 0.0004190600000000 ] - [ 0.0038076500000000, -0.0077395700000000, 0.0057989800000000 ] - [ 0.0004368300000000, -0.0004174800000000, 0.0000670200000000 ] - [ -0.0004278000000000, -0.0004612000000000, 0.0004262400000000 ] - [ -0.0001700200000000, -0.0000103000000000, 0.0002888600000000 ] - [ 0.0017248900000000, -0.0003425400000000, -0.0020324000000000 ] - [ 0.0001557600000000, 0.0001351800000000, -0.0002010600000000 ] - [ -0.0002236700000000, 0.0000064700000000, 0.0002328300000000 ] - [ 0.0002908100000000, 0.0000735700000000, 0.0000877400000000 ] - [ -0.0002652400000000, -0.0000837800000000, 0.0001997000000000 ] - [ -0.0004819800000000, 0.0000493500000000, 0.0000007900000000 ] - [ 0.0003451800000000, 0.0000902400000000, -0.0001657600000000 ] - [ 0.0001553500000000, -0.0006231700000000, 0.0001910800000000 ] - [ -0.0023599000000000, 0.0006979800000000, 0.0029983400000000 ] - [ 0.0026851500000000, 0.0032121300000000, 0.0033459200000000 ] - [ 0.0001976700000000, 0.0006234700000000, 0.0001906900000000 ] - [ -0.0004022900000000, -0.0002303000000000, 0.0004160200000000 ] - [ 0.0003848700000000, 0.0002683500000000, -0.0003005600000000 ] - [ 0.0003870100000000, -0.0002516500000000, -0.0003067100000000 ] - [ -0.0023303400000000, 0.0050999400000000, -0.0002040600000000 ] - [ -0.0000869300000000, -0.0001493700000000, -0.0001884300000000 ] - [ 0.0000855200000000, -0.0001594400000000, 0.0001634100000000 ] - [ 0.0002849400000000, -0.0000376100000000, 0.0001361900000000 ] - [ -0.0000562300000000, 0.0001435400000000, -0.0001949600000000 ] - [ -0.0006246100000000, 0.0003255300000000, 0.0005739400000000 ] - [ 0.0003826800000000, 0.0004563500000000, -0.0004427500000000 ] - [ 0.0004002800000000, -0.0004542400000000, -0.0004351700000000 ] - [ 0.0007375100000000, 0.0029454800000000, 0.0002134300000000 ] - [ -0.0002218000000000, -0.0000276800000000, 0.0002307700000000 ] - [ 0.0000613100000000, -0.0000840400000000, -0.0002652300000000 ] - [ 0.0001836400000000, 0.0000106400000000, -0.0002306000000000 ] - [ -0.0011796400000000, -0.0025885700000000, -0.0007578800000000 ] - [ 0.0004731600000000, 0.0000563000000000, -0.0001391800000000 ] - [ -0.0004871900000000, -0.0001382900000000, -0.0000455100000000 ] - [ -0.0007405300000000, 0.0002706500000000, -0.0007539800000000 ] - [ 0.0003811600000000, 0.0001393900000000, -0.0001668800000000 ] - [ 0.0002081800000000, -0.0006514100000000, 0.0001907200000000 ] - [ -0.0001529800000000, -0.0005912300000000, -0.0002112300000000 ] - [ -0.0001707800000000, 0.0005917900000000, -0.0002148800000000 ] - [ 0.0000976400000000, 0.0004946800000000, 0.0002893600000000 ] - [ 0.0000007800000000, -0.0005226200000000, -0.0000181000000000 ] - [ -0.0003896400000000, 0.0004331700000000, 0.0000247500000000 ] - [ 0.0002185300000000, 0.0003735300000000, -0.0000505400000000 ] - [ -0.0001465200000000, -0.0004058500000000, 0.0000002500000000 ] - [ -0.0003495300000000, -0.0001441900000000, 0.0000178900000000 ] - [ 0.0003618300000000, -0.0002438100000000, -0.0003614000000000 ] - [ 0.0016224500000000, 0.0012509700000000, -0.0001882500000000 ] - [ -0.0003870800000000, 0.0001515800000000, -0.0000078900000000 ] - [ -0.0000012400000000, -0.0004942700000000, 0.0000462800000000 ] - [ 0.0000299100000000, 0.0005005000000000, -0.0000769800000000 ] - [ -0.0000316100000000, 0.0003703700000000, 0.0000028600000000 ] - [ -0.0000726200000000, -0.0004016600000000, 0.0000406100000000 ] - [ -0.0048005500000000, 0.0039414500000000, 0.0010968200000000 ] - [ 0.0003655700000000, -0.0001384900000000, -0.0000021300000000 ] - [ 0.0004069500000000, 0.0001313200000000, -0.0000145000000000 ] - [ -0.0003384800000000, 0.0001330600000000, 0.0000137000000000 ]- atom: 29 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0007219100000000, -0.0000803600000000, 0.0003138400000000 ] - [ 0.0058224400000000, 0.0091015600000000, -0.0143845200000000 ] - [ -0.0007683100000000, 0.0001559100000000, -0.0009518100000000 ] - [ 0.0006663600000000, -0.0000276400000000, 0.0002953900000000 ] - [ -0.0002067700000000, -0.0002700700000000, 0.0006228200000000 ] - [ 0.0051546400000000, -0.0237743100000000, -0.0128508300000000 ] - [ -0.0004149700000000, 0.0001225100000000, -0.0006022800000000 ] - [ -0.0002107900000000, 0.0002723300000000, 0.0005338500000000 ] - [ 0.0007744400000000, -0.0005240800000000, 0.0007962000000000 ] - [ -0.0005622900000000, -0.0005179900000000, -0.0003689600000000 ] - [ -0.0005804100000000, 0.0004993400000000, -0.0003764100000000 ] - [ -0.0076537600000000, 0.0328992200000000, -0.0365774900000000 ] - [ 0.0008831200000000, 0.0001322300000000, 0.0003927900000000 ] - [ -0.0007477600000000, -0.0000208400000000, -0.0002104100000000 ] - [ -0.0007055400000000, 0.0001148200000000, -0.0002396200000000 ] - [ 0.0010790500000000, -0.0003315800000000, -0.0014629200000000 ] - [ -0.0002362300000000, -0.0004681800000000, 0.0009693300000000 ] - [ 0.0001614000000000, -0.0002514900000000, -0.0006693900000000 ] - [ 0.0002237300000000, 0.0002619300000000, -0.0005867700000000 ] - [ -0.0018553700000000, 0.0009693300000000, 0.0003099400000000 ] - [ 0.0005632700000000, -0.0005054300000000, 0.0004149200000000 ] - [ 0.0006900700000000, -0.0000543700000000, -0.0003325600000000 ] - [ -0.0006289200000000, 0.0004003800000000, -0.0007010400000000 ] - [ 0.0005712600000000, 0.0005307700000000, 0.0004306900000000 ] - [ -0.0003600800000000, 0.0002686500000000, 0.0002966800000000 ] - [ 0.0027637700000000, 0.0027820900000000, -0.0036901300000000 ] - [ -0.0002403500000000, 0.0000858800000000, -0.0020029900000000 ] - [ -0.0003803000000000, -0.0002684500000000, 0.0002874500000000 ] - [ -0.0051109800000000, -0.0156460100000000, 0.0800530900000000 ] - [ 0.0000695600000000, -0.0001439800000000, 0.0002117900000000 ] - [ 0.0000812500000000, 0.0001313400000000, 0.0001945400000000 ] - [ 0.0000692900000000, 0.0002758400000000, -0.0002617000000000 ] - [ -0.0004351900000000, 0.0004540100000000, 0.0003985600000000 ] - [ -0.0030241200000000, 0.0087236600000000, -0.0066772600000000 ] - [ 0.0003283800000000, -0.0004669700000000, -0.0009535400000000 ] - [ -0.0003884200000000, -0.0004300300000000, 0.0004394600000000 ] - [ -0.0001974500000000, -0.0000156800000000, 0.0002366400000000 ] - [ -0.0013748300000000, 0.0003176100000000, 0.0015601500000000 ] - [ 0.0002304200000000, -0.0000976400000000, -0.0002989100000000 ] - [ -0.0001359100000000, 0.0000340000000000, 0.0002691700000000 ] - [ 0.0003705400000000, -0.0002342300000000, -0.0003109700000000 ] - [ -0.0003807700000000, -0.0000704800000000, 0.0000352900000000 ] - [ -0.0001275700000000, 0.0000841000000000, 0.0002477900000000 ] - [ 0.0002749500000000, 0.0000507600000000, -0.0000828600000000 ] - [ 0.0001626800000000, -0.0006101200000000, 0.0001804800000000 ] - [ 0.0020176500000000, -0.0018875200000000, -0.0033548400000000 ] - [ -0.0030025700000000, -0.0020119100000000, -0.0037655600000000 ] - [ 0.0001019500000000, 0.0006131500000000, 0.0001960100000000 ] - [ -0.0003204300000000, 0.0007635600000000, 0.0001823900000000 ] - [ 0.0003858200000000, 0.0002547900000000, -0.0003335900000000 ] - [ 0.0004003400000000, -0.0002479700000000, -0.0003096600000000 ] - [ 0.0015786400000000, -0.0057132900000000, 0.0007659000000000 ] - [ -0.0000609000000000, -0.0001337500000000, -0.0002068300000000 ] - [ 0.0000572100000000, -0.0001504000000000, 0.0002722100000000 ] - [ -0.0001530400000000, 0.0002810400000000, 0.0002553600000000 ] - [ -0.0000755300000000, 0.0001311400000000, -0.0002007000000000 ] - [ -0.0002020800000000, 0.0005511500000000, 0.0002718600000000 ] - [ 0.0004252800000000, 0.0004556900000000, -0.0004210100000000 ] - [ 0.0003690500000000, -0.0004531200000000, -0.0004779300000000 ] - [ -0.0015291900000000, -0.0038146400000000, 0.0006585900000000 ] - [ -0.0001206600000000, -0.0000159900000000, 0.0003021700000000 ] - [ 0.0002979500000000, 0.0000687600000000, -0.0002167900000000 ] - [ 0.0001599500000000, 0.0000197700000000, -0.0002501500000000 ] - [ 0.0007977000000000, 0.0025921700000000, 0.0012549800000000 ] - [ 0.0001747500000000, -0.0002102100000000, -0.0000974900000000 ] - [ -0.0001544200000000, -0.0000097500000000, 0.0002802000000000 ] - [ 0.0001041000000000, -0.0001352600000000, 0.0010071400000000 ] - [ 0.0002475600000000, 0.0000042200000000, -0.0000773100000000 ] - [ 0.0001240300000000, -0.0005632700000000, 0.0001673300000000 ] - [ -0.0001645400000000, -0.0005883800000000, -0.0002126000000000 ] - [ -0.0001440800000000, 0.0006030300000000, -0.0002126500000000 ] - [ 0.0001904700000000, 0.0007207100000000, 0.0001241500000000 ] - [ 0.0000064300000000, -0.0004856200000000, 0.0000176900000000 ] - [ 0.0003733600000000, 0.0005768600000000, -0.0000293000000000 ] - [ -0.0002118700000000, 0.0003204300000000, 0.0000464300000000 ] - [ 0.0001385700000000, -0.0002929900000000, 0.0000021500000000 ] - [ -0.0003973300000000, -0.0001539600000000, -0.0000236100000000 ] - [ 0.0003939300000000, -0.0000506300000000, 0.0003630500000000 ] - [ -0.0008650400000000, -0.0009507100000000, 0.0002226300000000 ] - [ -0.0003628300000000, 0.0001447500000000, 0.0000057200000000 ] - [ 0.0000038700000000, -0.0005158100000000, -0.0000460600000000 ] - [ -0.0000381200000000, 0.0005081300000000, 0.0000732600000000 ] - [ 0.0000444800000000, 0.0003249200000000, -0.0000086900000000 ] - [ 0.0000670600000000, -0.0002934400000000, -0.0000387400000000 ] - [ 0.0040965600000000, -0.0042783700000000, -0.0010878400000000 ] - [ 0.0003843600000000, -0.0001575400000000, 0.0000044200000000 ] - [ 0.0003409300000000, 0.0001604300000000, 0.0000186700000000 ] - [ -0.0004148200000000, 0.0001615100000000, -0.0000184300000000 ]- atom: 33 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0018136900000000, -0.0010820000000000, 0.0021220300000000 ] - [ -0.0006935200000000, -0.0000695900000000, -0.0002638000000000 ] - [ -0.0008248800000000, 0.0002456300000000, -0.0002097400000000 ] - [ 0.0008109000000000, 0.0003659200000000, 0.0003560400000000 ] - [ -0.0001764100000000, 0.0007312800000000, 0.0016802700000000 ] - [ 0.0000456400000000, -0.0002912100000000, -0.0007362400000000 ] - [ 0.0001309500000000, 0.0002636100000000, -0.0003367700000000 ] - [ 0.0000873100000000, -0.0001438400000000, 0.0002478100000000 ] - [ 0.0005929200000000, -0.0005329900000000, 0.0003497800000000 ] - [ -0.0007845700000000, -0.0004633100000000, -0.0006278000000000 ] - [ 0.0156687000000000, 0.0097306700000000, 0.0074617700000000 ] - [ 0.0005151400000000, 0.0005245600000000, 0.0003027100000000 ] - [ 0.0008249100000000, 0.0001430800000000, 0.0001381600000000 ] - [ -0.0006393300000000, 0.0001707800000000, -0.0004789800000000 ] - [ 0.0046039000000000, -0.0013413400000000, -0.0106269500000000 ] - [ 0.0005754700000000, 0.0001785000000000, 0.0002005800000000 ] - [ -0.0002836700000000, -0.0002500900000000, 0.0005216600000000 ] - [ 0.0001482000000000, -0.0004211700000000, -0.0008874200000000 ] - [ 0.0544980600000000, -0.0073276400000000, 0.0299777000000000 ] - [ -0.0003978000000000, 0.0001797600000000, 0.0006108900000000 ] - [ 0.0033091000000000, 0.0000340200000000, 0.0006634400000000 ] - [ -0.0005520800000000, -0.0005431900000000, -0.0004691500000000 ] - [ -0.0006470500000000, 0.0004860700000000, -0.0003740000000000 ] - [ 0.0009436500000000, 0.0012459200000000, -0.0000660400000000 ] - [ 0.0032238500000000, 0.0038213900000000, 0.0009721800000000 ] - [ 0.0004039700000000, 0.0002760400000000, -0.0003150400000000 ] - [ 0.0003839700000000, -0.0002283800000000, -0.0003456500000000 ] - [ -0.0004682600000000, -0.0002427500000000, 0.0003524600000000 ] - [ -0.0000420200000000, -0.0001482900000000, -0.0001676000000000 ] - [ -0.0002366300000000, 0.0017698900000000, 0.0036361500000000 ] - [ 0.0000753300000000, 0.0001971300000000, 0.0002609300000000 ] - [ 0.0000199900000000, 0.0000965300000000, -0.0002275000000000 ] - [ -0.0996110700000000, 0.0028035700000000, -0.0370446400000000 ] - [ 0.0006843800000000, 0.0005339900000000, -0.0002764500000000 ] - [ 0.0004521000000000, -0.0004629700000000, -0.0004028600000000 ] - [ -0.0003805500000000, -0.0005263500000000, 0.0006008300000000 ] - [ -0.0021409500000000, -0.0005941500000000, -0.0022142700000000 ] - [ 0.0004136500000000, 0.0000092100000000, -0.0000726000000000 ] - [ 0.0002423700000000, -0.0000623000000000, -0.0003008300000000 ] - [ -0.0003310100000000, -0.0000578900000000, 0.0002771600000000 ] - [ 0.0004878500000000, 0.0001484400000000, 0.0002056300000000 ] - [ 0.0026576000000000, 0.0010472200000000, -0.0027608800000000 ] - [ -0.0002035000000000, 0.0001032500000000, 0.0000787900000000 ] - [ -0.0001633100000000, 0.0007274200000000, 0.0003573900000000 ] - [ 0.0001413600000000, -0.0005772300000000, 0.0004301500000000 ] - [ -0.0001965000000000, -0.0006352000000000, -0.0001274200000000 ] - [ 0.0003112800000000, 0.0002781800000000, -0.0002036900000000 ] - [ -0.0007132900000000, -0.0010600500000000, -0.0004926700000000 ] - [ -0.0003383700000000, 0.0002729400000000, 0.0003842400000000 ] - [ -0.0001993400000000, 0.0008001900000000, 0.0000078800000000 ] - [ -0.0007535100000000, 0.0004529200000000, -0.0015636000000000 ] - [ -0.0004037800000000, -0.0002706700000000, 0.0002868900000000 ] - [ -0.0003149700000000, -0.0001229800000000, -0.0004127100000000 ] - [ 0.0000894400000000, -0.0001733900000000, 0.0001983000000000 ] - [ 0.0001023700000000, 0.0001104000000000, 0.0002126600000000 ] - [ -0.0007826000000000, -0.0025781000000000, 0.0009310500000000 ] - [ -0.0003576500000000, 0.0004447800000000, 0.0004150300000000 ] - [ 0.0003405000000000, 0.0003817300000000, -0.0002661800000000 ] - [ 0.0001604500000000, -0.0003977900000000, -0.0001372600000000 ] - [ -0.0002734000000000, -0.0004255000000000, 0.0005309400000000 ] - [ 0.0000361700000000, -0.0002456700000000, 0.0002501900000000 ] - [ 0.0000789100000000, -0.0000371400000000, -0.0001827800000000 ] - [ 0.0102276500000000, -0.0013161000000000, 0.0085643300000000 ] - [ -0.0000814100000000, 0.0000279600000000, 0.0003010600000000 ] - [ 0.0003532600000000, -0.0000780000000000, -0.0000912500000000 ] - [ -0.0002560100000000, -0.0000949000000000, 0.0001392000000000 ] - [ -0.0002784100000000, 0.0000484300000000, 0.0001444400000000 ] - [ 0.0006046200000000, 0.0006980900000000, -0.0001541800000000 ] - [ 0.0002356600000000, -0.0005962100000000, 0.0002602000000000 ] - [ -0.0002557100000000, -0.0007278000000000, 0.0001053000000000 ] - [ 0.0032892800000000, -0.0019905800000000, -0.0030360700000000 ] - [ 0.0002481500000000, 0.0006158900000000, 0.0000806900000000 ] - [ 0.0000292900000000, -0.0005229300000000, -0.0000262100000000 ] - [ 0.0047896600000000, -0.0030806200000000, 0.0006869100000000 ] - [ 0.0000539200000000, 0.0003436100000000, -0.0001329300000000 ] - [ -0.0000359700000000, -0.0002280100000000, 0.0000973400000000 ] - [ -0.0003963300000000, -0.0001712500000000, 0.0007216200000000 ] - [ 0.0002861400000000, -0.0001651700000000, 0.0001753200000000 ] - [ 0.0003542100000000, 0.0001326700000000, -0.0000367900000000 ] - [ -0.0002615400000000, 0.0000571300000000, 0.0000021200000000 ] - [ -0.0002517900000000, -0.0004258400000000, -0.0005429200000000 ] - [ -0.0001255400000000, 0.0006123900000000, 0.0001226400000000 ] - [ -0.0000384800000000, 0.0003455600000000, -0.0000839100000000 ] - [ -0.0000236900000000, -0.0004947600000000, 0.0002207100000000 ] - [ -0.0004112300000000, -0.0001460200000000, -0.0000024500000000 ] - [ 0.0003857600000000, -0.0001656800000000, 0.0001210900000000 ] - [ 0.0004275000000000, 0.0000765400000000, -0.0001120300000000 ] - [ -0.0008330300000000, -0.0000162600000000, 0.0000455700000000 ]- atom: 33 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ -0.0003731000000000, 0.0008841000000000, -0.0016133100000000 ] - [ -0.0007263000000000, -0.0000868500000000, -0.0002571700000000 ] - [ -0.0006539900000000, -0.0000886000000000, -0.0002806100000000 ] - [ 0.0006474800000000, -0.0002116800000000, 0.0001697600000000 ] - [ -0.0002178700000000, -0.0012712600000000, -0.0005021100000000 ] - [ 0.0003404300000000, -0.0002286300000000, -0.0004380100000000 ] - [ 0.0002741000000000, 0.0002636200000000, -0.0008513000000000 ] - [ -0.0004846200000000, 0.0006685800000000, 0.0009395000000000 ] - [ 0.0005545900000000, -0.0004536800000000, 0.0004570800000000 ] - [ -0.0003972000000000, -0.0005665300000000, -0.0001751100000000 ] - [ -0.0167912500000000, -0.0087199100000000, -0.0082431600000000 ] - [ 0.0006636300000000, 0.0005382800000000, 0.0004942100000000 ] - [ 0.0006077500000000, -0.0002864500000000, 0.0003959800000000 ] - [ -0.0008093100000000, -0.0003186800000000, -0.0000389300000000 ] - [ -0.0060466600000000, 0.0014296700000000, 0.0104359100000000 ] - [ 0.0008428800000000, 0.0000149200000000, 0.0003022900000000 ] - [ -0.0001220000000000, -0.0002597300000000, 0.0006947400000000 ] - [ 0.0002347300000000, -0.0000902900000000, -0.0002930500000000 ] - [ -0.0570555900000000, 0.0084968500000000, -0.0328279700000000 ] - [ -0.0000013900000000, 0.0003669200000000, 0.0005598700000000 ] - [ -0.0021524600000000, -0.0010134700000000, 0.0000534300000000 ] - [ -0.0006283800000000, -0.0005079500000000, -0.0003635200000000 ] - [ -0.0005028300000000, 0.0005159500000000, -0.0003699000000000 ] - [ 0.0002333300000000, -0.0001619900000000, 0.0008898200000000 ] - [ -0.0040301600000000, -0.0033502800000000, -0.0004047700000000 ] - [ 0.0003752400000000, 0.0002680100000000, -0.0003003600000000 ] - [ 0.0003636100000000, -0.0002546200000000, -0.0002618400000000 ] - [ -0.0002711800000000, -0.0003025600000000, 0.0002282300000000 ] - [ -0.0000835600000000, -0.0001498900000000, -0.0002139100000000 ] - [ 0.0004067900000000, -0.0020424800000000, -0.0031869800000000 ] - [ 0.0000548700000000, 0.0000437600000000, 0.0001593500000000 ] - [ -0.0001742600000000, 0.0001464800000000, -0.0001957200000000 ] - [ 0.1017497500000000, -0.0023396500000000, 0.0394611700000000 ] - [ 0.0001342700000000, 0.0004063300000000, -0.0005658000000000 ] - [ 0.0003119200000000, -0.0004154500000000, -0.0004912500000000 ] - [ -0.0004373500000000, -0.0003696000000000, 0.0002646200000000 ] - [ 0.0017466400000000, 0.0005707900000000, 0.0027197400000000 ] - [ -0.0000614800000000, 0.0000034100000000, -0.0004104400000000 ] - [ 0.0001554800000000, 0.0000915500000000, -0.0002012300000000 ] - [ -0.0000376000000000, 0.0000920900000000, 0.0002242600000000 ] - [ 0.0001834300000000, -0.0003119000000000, -0.0004163600000000 ] - [ -0.0033306200000000, -0.0012229700000000, 0.0029819100000000 ] - [ -0.0004122400000000, 0.0000380000000000, 0.0001614900000000 ] - [ 0.0007999500000000, -0.0005593900000000, -0.0006262000000000 ] - [ 0.0001714500000000, -0.0006564300000000, -0.0000546200000000 ] - [ -0.0001013400000000, -0.0005845600000000, -0.0002677100000000 ] - [ -0.0006021200000000, 0.0008986200000000, -0.0002359500000000 ] - [ 0.0009908000000000, 0.0023149500000000, 0.0008919600000000 ] - [ -0.0003798900000000, 0.0002612100000000, 0.0002100000000000 ] - [ 0.0009758800000000, -0.0002668200000000, -0.0006481200000000 ] - [ 0.0015353100000000, -0.0009732700000000, 0.0010292800000000 ] - [ -0.0003686800000000, -0.0002684400000000, 0.0002811000000000 ] - [ 0.0001686500000000, -0.0001653500000000, 0.0000217000000000 ] - [ 0.0000529400000000, -0.0001436200000000, 0.0002404600000000 ] - [ 0.0000192400000000, 0.0001202600000000, 0.0001845700000000 ] - [ 0.0006600800000000, 0.0028696900000000, -0.0013100900000000 ] - [ -0.0004681900000000, 0.0004338200000000, 0.0004176700000000 ] - [ 0.0004665500000000, 0.0005338900000000, -0.0005969700000000 ] - [ 0.0005892300000000, -0.0005066600000000, -0.0007864200000000 ] - [ -0.0005244900000000, -0.0004873900000000, 0.0003373400000000 ] - [ -0.0003747700000000, 0.0001982100000000, 0.0002897600000000 ] - [ 0.0002798300000000, 0.0000229700000000, -0.0002973800000000 ] - [ -0.0099857900000000, 0.0013680200000000, -0.0091353500000000 ] - [ -0.0002915000000000, -0.0000141100000000, 0.0001818700000000 ] - [ 0.0003034100000000, -0.0000777600000000, -0.0001390800000000 ] - [ -0.0003794100000000, -0.0000522500000000, 0.0000957400000000 ] - [ -0.0003514600000000, 0.0000998300000000, 0.0000963500000000 ] - [ 0.0000280100000000, -0.0005451600000000, -0.0000799900000000 ] - [ 0.0000967500000000, -0.0006271900000000, 0.0001008800000000 ] - [ -0.0000477100000000, -0.0004582200000000, -0.0005306400000000 ] - [ -0.0035744000000000, 0.0031719600000000, 0.0025952400000000 ] - [ 0.0000378900000000, 0.0006030500000000, 0.0003346500000000 ] - [ -0.0000230600000000, -0.0004844100000000, 0.0000299400000000 ] - [ -0.0046078700000000, 0.0039353500000000, -0.0006738200000000 ] - [ -0.0000423400000000, 0.0003502800000000, 0.0001298700000000 ] - [ 0.0000328500000000, -0.0004668600000000, -0.0000960900000000 ] - [ -0.0003702800000000, -0.0001214400000000, -0.0007699400000000 ] - [ 0.0004633200000000, -0.0001265400000000, -0.0001715400000000 ] - [ 0.0003927000000000, 0.0001556300000000, 0.0000375800000000 ] - [ -0.0004820400000000, 0.0002379100000000, -0.0000000200000000 ] - [ 0.0002497800000000, -0.0005815900000000, 0.0005402700000000 ] - [ 0.0001098900000000, 0.0003957600000000, -0.0001288700000000 ] - [ 0.0000476600000000, 0.0003458600000000, 0.0000771100000000 ] - [ 0.0000051000000000, -0.0002033700000000, -0.0002167400000000 ] - [ -0.0003364900000000, -0.0001495000000000, -0.0000006800000000 ] - [ 0.0003618600000000, -0.0001304500000000, -0.0001218400000000 ] - [ 0.0003177300000000, 0.0002082400000000, 0.0001208000000000 ] - [ 0.0000754700000000, 0.0003110200000000, -0.0000466500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010170600000000, 0.0011361700000000, 0.0005249000000000 ] - [ -0.0007234800000000, -0.0000785000000000, -0.0002807400000000 ] - [ -0.0007451900000000, 0.0000506800000000, -0.0002254200000000 ] - [ 0.0008288500000000, 0.0005940300000000, 0.0002407800000000 ] - [ 0.0006594400000000, 0.0013638200000000, -0.0007580900000000 ] - [ 0.0002321600000000, -0.0002446500000000, -0.0005392200000000 ] - [ 0.0002050300000000, 0.0002306800000000, -0.0006780900000000 ] - [ -0.0009887700000000, 0.0001228300000000, 0.0016473000000000 ] - [ 0.0005717800000000, -0.0004943700000000, 0.0004315100000000 ] - [ -0.0006844700000000, -0.0003336500000000, -0.0006151100000000 ] - [ 0.0148963900000000, 0.0326305200000000, 0.0310836500000000 ] - [ 0.0006099500000000, 0.0005192300000000, 0.0004152100000000 ] - [ 0.0008892900000000, 0.0000221600000000, 0.0002266400000000 ] - [ -0.0006906100000000, -0.0002623000000000, -0.0002328700000000 ] - [ -0.0043803600000000, 0.0141676800000000, -0.0226783000000000 ] - [ 0.0007362100000000, 0.0001176500000000, 0.0002467100000000 ] - [ -0.0001926500000000, -0.0002532100000000, 0.0006421200000000 ] - [ 0.0002208500000000, -0.0003341700000000, -0.0005673700000000 ] - [ -0.0093513600000000, 0.0122370800000000, -0.0097015400000000 ] - [ -0.0001433200000000, 0.0003062400000000, 0.0005713100000000 ] - [ 0.0006626900000000, -0.0015484800000000, 0.0003806600000000 ] - [ -0.0006014800000000, -0.0005219400000000, -0.0004167200000000 ] - [ -0.0005761700000000, 0.0005115200000000, -0.0003592000000000 ] - [ 0.0006864500000000, -0.0001820600000000, 0.0004269900000000 ] - [ 0.0029999100000000, 0.0005704800000000, 0.0011242300000000 ] - [ 0.0003807700000000, 0.0002698300000000, -0.0003001500000000 ] - [ 0.0003712600000000, -0.0002335900000000, -0.0003052100000000 ] - [ -0.0003836800000000, -0.0002867100000000, 0.0005568000000000 ] - [ -0.0000666900000000, -0.0001511900000000, -0.0002007200000000 ] - [ 0.0039171600000000, 0.0046716400000000, 0.0085418900000000 ] - [ 0.0001895100000000, 0.0004163000000000, 0.0002420700000000 ] - [ -0.0001112800000000, 0.0001270400000000, -0.0002004700000000 ] - [ 0.0024001800000000, -0.0761016300000000, -0.0004666300000000 ] - [ 0.0003452200000000, 0.0004437800000000, -0.0004560100000000 ] - [ 0.0003560300000000, -0.0004412800000000, -0.0004574600000000 ] - [ -0.0003324100000000, -0.0004802500000000, 0.0004409500000000 ] - [ -0.0016382600000000, -0.0007437600000000, 0.0027177700000000 ] - [ 0.0001054300000000, -0.0000023500000000, -0.0002866100000000 ] - [ 0.0001982400000000, 0.0000168900000000, -0.0002466400000000 ] - [ -0.0001486700000000, 0.0001884600000000, 0.0001283900000000 ] - [ 0.0003101800000000, -0.0001078900000000, -0.0001974500000000 ] - [ 0.0012035700000000, 0.0006696800000000, -0.0014828500000000 ] - [ -0.0003667300000000, 0.0000250100000000, 0.0001346900000000 ] - [ 0.0003254400000000, -0.0001295700000000, 0.0005265700000000 ] - [ 0.0003312600000000, -0.0007507700000000, 0.0000388700000000 ] - [ -0.0001321300000000, -0.0006029100000000, -0.0002002300000000 ] - [ -0.0002627800000000, 0.0006414800000000, -0.0002134100000000 ] - [ -0.0008109600000000, 0.0067323300000000, -0.0003517400000000 ] - [ -0.0003441400000000, 0.0002464700000000, 0.0003403300000000 ] - [ 0.0002546200000000, 0.0038586800000000, 0.0002187700000000 ] - [ 0.0004586100000000, -0.0008735100000000, -0.0042030900000000 ] - [ -0.0003837900000000, -0.0002686000000000, 0.0002793300000000 ] - [ -0.0001189900000000, -0.0000097300000000, -0.0003091600000000 ] - [ 0.0000571500000000, -0.0001669900000000, 0.0002255500000000 ] - [ 0.0000528200000000, 0.0001176800000000, 0.0001986800000000 ] - [ -0.0025175700000000, 0.0028663500000000, -0.0036763000000000 ] - [ -0.0004106400000000, 0.0004338200000000, 0.0004159400000000 ] - [ 0.0004869800000000, 0.0003572700000000, -0.0004087700000000 ] - [ 0.0004326600000000, -0.0003934800000000, -0.0003535700000000 ] - [ -0.0004301000000000, -0.0004627500000000, 0.0004143400000000 ] - [ -0.0002034700000000, -0.0000098600000000, 0.0002695300000000 ] - [ 0.0002345000000000, -0.0000224100000000, -0.0002780800000000 ] - [ -0.0027364200000000, -0.0013951300000000, -0.0021088300000000 ] - [ -0.0002258500000000, 0.0000034500000000, 0.0002323700000000 ] - [ 0.0002912000000000, -0.0001204500000000, -0.0001519100000000 ] - [ -0.0003389200000000, -0.0001047100000000, 0.0000590000000000 ] - [ -0.0003069800000000, 0.0000610000000000, 0.0001221600000000 ] - [ 0.0005319400000000, -0.0000112000000000, -0.0000709700000000 ] - [ 0.0001599200000000, -0.0006145500000000, 0.0001544100000000 ] - [ -0.0001397600000000, -0.0003585700000000, -0.0002491300000000 ] - [ -0.0014243400000000, 0.0009837000000000, 0.0005603400000000 ] - [ 0.0001011600000000, 0.0006099600000000, 0.0002464800000000 ] - [ -0.0000015000000000, -0.0004615700000000, 0.0000052200000000 ] - [ -0.0038800500000000, 0.0022529800000000, -0.0003603800000000 ] - [ -0.0001481400000000, 0.0003709800000000, 0.0000657300000000 ] - [ 0.0000832600000000, -0.0003994100000000, 0.0000759200000000 ] - [ -0.0005259900000000, -0.0007932400000000, -0.0005694000000000 ] - [ 0.0004630800000000, -0.0001994300000000, -0.0000683000000000 ] - [ 0.0003894900000000, 0.0001464600000000, 0.0000127700000000 ] - [ -0.0001540600000000, -0.0000063200000000, -0.0001271600000000 ] - [ 0.0000379200000000, -0.0005375800000000, 0.0001253200000000 ] - [ 0.0000195500000000, 0.0004558100000000, -0.0000177300000000 ] - [ -0.0000334900000000, 0.0003350600000000, -0.0000018500000000 ] - [ 0.0001002700000000, -0.0002962400000000, -0.0001158400000000 ] - [ -0.0003699600000000, -0.0001492800000000, -0.0000048800000000 ] - [ 0.0001434300000000, -0.0002774300000000, 0.0001723700000000 ] - [ 0.0003549300000000, 0.0001461800000000, 0.0000183300000000 ] - [ -0.0002440900000000, 0.0001886000000000, -0.0000093500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024225000000000, -0.0013025400000000, -0.0000196100000000 ] - [ -0.0007024200000000, -0.0000710200000000, -0.0002411800000000 ] - [ -0.0007435900000000, 0.0001043100000000, -0.0002630700000000 ] - [ 0.0006524700000000, -0.0004407700000000, 0.0002880200000000 ] - [ -0.0010774000000000, -0.0018990300000000, 0.0018945200000000 ] - [ 0.0001586600000000, -0.0002669300000000, -0.0006429800000000 ] - [ 0.0002067900000000, 0.0002901800000000, -0.0005272100000000 ] - [ 0.0005608700000000, 0.0004223900000000, -0.0004214000000000 ] - [ 0.0005777300000000, -0.0005017600000000, 0.0003857200000000 ] - [ -0.0005011200000000, -0.0007083900000000, -0.0002047700000000 ] - [ -0.0166613100000000, -0.0329054700000000, -0.0332303300000000 ] - [ 0.0005695400000000, 0.0005576600000000, 0.0003884000000000 ] - [ 0.0005595300000000, -0.0001592300000000, 0.0003195300000000 ] - [ -0.0007707600000000, 0.0001255500000000, -0.0002726500000000 ] - [ 0.0029283100000000, -0.0140935200000000, 0.0220488700000000 ] - [ 0.0006976000000000, 0.0000713300000000, 0.0002569000000000 ] - [ -0.0002190000000000, -0.0002546700000000, 0.0005828800000000 ] - [ 0.0001642400000000, -0.0001745100000000, -0.0006245100000000 ] - [ 0.0098985000000000, -0.0117842800000000, 0.0085103700000000 ] - [ -0.0002622400000000, 0.0002418100000000, 0.0006121500000000 ] - [ 0.0004932300000000, 0.0005394300000000, 0.0004368300000000 ] - [ -0.0005839000000000, -0.0005391000000000, -0.0004265200000000 ] - [ -0.0005806200000000, 0.0005016600000000, -0.0003915700000000 ] - [ 0.0004789200000000, 0.0012462200000000, 0.0003805400000000 ] - [ -0.0037455000000000, -0.0000513300000000, -0.0005387100000000 ] - [ 0.0004075000000000, 0.0002686300000000, -0.0003232900000000 ] - [ 0.0003832600000000, -0.0002480800000000, -0.0003083900000000 ] - [ -0.0003614600000000, -0.0002588700000000, 0.0000313900000000 ] - [ -0.0000598400000000, -0.0001501200000000, -0.0001779100000000 ] - [ -0.0037708900000000, -0.0049563700000000, -0.0081197000000000 ] - [ -0.0000585100000000, -0.0001724700000000, 0.0001782400000000 ] - [ -0.0000444300000000, 0.0001187200000000, -0.0002216300000000 ] - [ -0.0027126400000000, 0.0783434400000000, 0.0029545200000000 ] - [ 0.0004619100000000, 0.0004969000000000, -0.0003974800000000 ] - [ 0.0004050100000000, -0.0004371800000000, -0.0004422300000000 ] - [ -0.0004811700000000, -0.0004154100000000, 0.0004320200000000 ] - [ 0.0012851700000000, 0.0007129700000000, -0.0021945600000000 ] - [ 0.0002276600000000, 0.0000073600000000, -0.0001950700000000 ] - [ 0.0001813600000000, 0.0000205900000000, -0.0002522300000000 ] - [ -0.0002048400000000, -0.0001448900000000, 0.0003656200000000 ] - [ 0.0003550500000000, -0.0000558000000000, -0.0000275400000000 ] - [ -0.0018526300000000, -0.0008303600000000, 0.0017156900000000 ] - [ -0.0002431600000000, 0.0001100100000000, 0.0001156300000000 ] - [ 0.0003045600000000, 0.0002741800000000, -0.0007815600000000 ] - [ -0.0000082500000000, -0.0004810700000000, 0.0003342100000000 ] - [ -0.0001749800000000, -0.0006161400000000, -0.0001897100000000 ] - [ -0.0000452400000000, 0.0005342100000000, -0.0002256300000000 ] - [ 0.0011138100000000, -0.0055306200000000, 0.0007257300000000 ] - [ -0.0003827500000000, 0.0002842600000000, 0.0002612800000000 ] - [ 0.0005197600000000, -0.0032291700000000, -0.0008426200000000 ] - [ 0.0003320800000000, 0.0003711800000000, 0.0036352700000000 ] - [ -0.0003944200000000, -0.0002666400000000, 0.0002951700000000 ] - [ -0.0000297500000000, -0.0002790400000000, -0.0000765000000000 ] - [ 0.0000872900000000, -0.0001520100000000, 0.0002097500000000 ] - [ 0.0000705200000000, 0.0001138400000000, 0.0001974200000000 ] - [ 0.0023326600000000, -0.0025342200000000, 0.0032005800000000 ] - [ -0.0004079500000000, 0.0004463900000000, 0.0004250200000000 ] - [ 0.0003240200000000, 0.0005588400000000, -0.0004606900000000 ] - [ 0.0003188900000000, -0.0005101900000000, -0.0005817100000000 ] - [ -0.0003608000000000, -0.0004501900000000, 0.0004623800000000 ] - [ -0.0001260900000000, -0.0000420300000000, 0.0002649900000000 ] - [ 0.0001162500000000, 0.0000000800000000, -0.0001980100000000 ] - [ 0.0031093100000000, 0.0014230500000000, 0.0016558500000000 ] - [ -0.0001337200000000, 0.0000190400000000, 0.0002500100000000 ] - [ 0.0003576000000000, -0.0000338900000000, -0.0000863000000000 ] - [ -0.0002964600000000, -0.0000390900000000, 0.0001809100000000 ] - [ -0.0003196600000000, 0.0000851300000000, 0.0001238700000000 ] - [ 0.0000998200000000, 0.0001505800000000, -0.0001700800000000 ] - [ 0.0001815900000000, -0.0006092700000000, 0.0002028000000000 ] - [ -0.0001760600000000, -0.0008242600000000, -0.0001738200000000 ] - [ 0.0011089900000000, 0.0001981600000000, -0.0009757900000000 ] - [ 0.0001921500000000, 0.0006085900000000, 0.0001652500000000 ] - [ 0.0000070100000000, -0.0005434900000000, -0.0000026800000000 ] - [ 0.0039534300000000, -0.0012584700000000, 0.0003646200000000 ] - [ 0.0001588900000000, 0.0003219100000000, -0.0000701000000000 ] - [ -0.0000819600000000, -0.0002956600000000, -0.0000728400000000 ] - [ -0.0002318200000000, 0.0004888800000000, 0.0005155900000000 ] - [ 0.0002921500000000, -0.0000947300000000, 0.0000697300000000 ] - [ 0.0003576400000000, 0.0001409800000000, -0.0000104400000000 ] - [ -0.0005936200000000, 0.0002959200000000, 0.0001234300000000 ] - [ -0.0000366000000000, -0.0004691400000000, -0.0001297000000000 ] - [ -0.0000276300000000, 0.0005474700000000, 0.0000131400000000 ] - [ 0.0000459800000000, 0.0003568200000000, -0.0000045800000000 ] - [ -0.0001084200000000, -0.0003979300000000, 0.0001204200000000 ] - [ -0.0003754300000000, -0.0001469400000000, 0.0000010300000000 ] - [ 0.0006070800000000, -0.0000183300000000, -0.0001720500000000 ] - [ 0.0003935000000000, 0.0001421500000000, -0.0000153400000000 ] - [ -0.0005118100000000, 0.0001037900000000, 0.0000084200000000 ]- atom: 33 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0015002300000000, 0.0009791300000000, 0.0024419600000000 ] - [ -0.0007088600000000, -0.0000677600000000, -0.0002723800000000 ] - [ -0.0008160300000000, 0.0001439900000000, -0.0002460800000000 ] - [ 0.0011371400000000, 0.0005262300000000, 0.0006724100000000 ] - [ 0.0016137600000000, -0.0001818700000000, 0.0028083200000000 ] - [ 0.0001158800000000, -0.0003069400000000, -0.0007369800000000 ] - [ 0.0001883900000000, 0.0002767100000000, -0.0004813200000000 ] - [ -0.0002289500000000, 0.0003989500000000, 0.0007292900000000 ] - [ 0.0005635800000000, -0.0004977600000000, 0.0003733000000000 ] - [ -0.0010392000000000, -0.0002840400000000, -0.0009516700000000 ] - [ 0.0077130700000000, 0.0189586600000000, 0.0357970000000000 ] - [ 0.0005538700000000, 0.0005565500000000, 0.0004123500000000 ] - [ 0.0007417900000000, -0.0000134200000000, 0.0002432800000000 ] - [ -0.0006415100000000, -0.0000069000000000, -0.0007311200000000 ] - [ -0.0001381400000000, -0.0151134400000000, 0.0717115900000000 ] - [ 0.0005942900000000, 0.0001671800000000, 0.0002179700000000 ] - [ -0.0002492300000000, -0.0002592100000000, 0.0005504800000000 ] - [ 0.0001754400000000, -0.0003564100000000, -0.0009129800000000 ] - [ 0.0187156900000000, -0.0057484600000000, 0.0188362300000000 ] - [ -0.0003122600000000, 0.0002200700000000, 0.0006313000000000 ] - [ 0.0010168300000000, -0.0005995700000000, 0.0034970400000000 ] - [ -0.0005642400000000, -0.0005671900000000, -0.0004855900000000 ] - [ -0.0006182700000000, 0.0004510200000000, -0.0003615000000000 ] - [ 0.0006212400000000, 0.0005218600000000, -0.0004445400000000 ] - [ 0.0011906000000000, 0.0014998300000000, -0.0024695800000000 ] - [ 0.0004243700000000, 0.0002813700000000, -0.0003138300000000 ] - [ 0.0003880800000000, -0.0002302900000000, -0.0003491000000000 ] - [ -0.0004096000000000, -0.0001989100000000, 0.0003472700000000 ] - [ -0.0000433700000000, -0.0001389900000000, -0.0001783900000000 ] - [ 0.0039100000000000, 0.0048422200000000, 0.0064262800000000 ] - [ -0.0006415300000000, -0.0001431000000000, 0.0006934000000000 ] - [ -0.0000222300000000, 0.0000999100000000, -0.0002204800000000 ] - [ -0.0359437900000000, -0.0014340200000000, -0.1586514800000000 ] - [ 0.0005444000000000, 0.0005078300000000, -0.0003381200000000 ] - [ 0.0004257400000000, -0.0004392600000000, -0.0004078300000000 ] - [ -0.0002463000000000, -0.0004581400000000, 0.0008079600000000 ] - [ -0.0036970300000000, 0.0026751200000000, 0.0025321200000000 ] - [ 0.0003915100000000, -0.0000045200000000, -0.0001351200000000 ] - [ 0.0002243900000000, -0.0000077100000000, -0.0002880700000000 ] - [ -0.0003318100000000, -0.0000019200000000, 0.0001461300000000 ] - [ 0.0004592500000000, 0.0000595200000000, 0.0001356000000000 ] - [ -0.0020256000000000, -0.0010747000000000, 0.0000640600000000 ] - [ -0.0001783600000000, 0.0002384300000000, 0.0000437100000000 ] - [ 0.0005717500000000, 0.0001446400000000, -0.0008413600000000 ] - [ -0.0001280800000000, -0.0004969200000000, 0.0008483500000000 ] - [ -0.0001645900000000, -0.0006477200000000, -0.0001523900000000 ] - [ 0.0000445300000000, 0.0004607800000000, -0.0002388800000000 ] - [ -0.0007634800000000, -0.0001246000000000, -0.0025374600000000 ] - [ -0.0004132800000000, 0.0002390200000000, 0.0002851100000000 ] - [ 0.0001030300000000, 0.0020704500000000, 0.0002854300000000 ] - [ 0.0015980200000000, -0.0024621200000000, 0.0106290900000000 ] - [ -0.0004190800000000, -0.0002709800000000, 0.0002846600000000 ] - [ -0.0000654100000000, -0.0002484700000000, -0.0000284900000000 ] - [ 0.0001098100000000, -0.0001601500000000, 0.0002186400000000 ] - [ 0.0000919500000000, 0.0001077600000000, 0.0002083900000000 ] - [ 0.0014519600000000, -0.0036388800000000, -0.0004035100000000 ] - [ -0.0004091900000000, 0.0004273900000000, 0.0004284600000000 ] - [ 0.0005747400000000, 0.0004427600000000, -0.0003347600000000 ] - [ 0.0007207900000000, -0.0003247500000000, -0.0001123800000000 ] - [ -0.0002991000000000, -0.0004432700000000, 0.0005039500000000 ] - [ -0.0000457100000000, -0.0001300700000000, 0.0002807600000000 ] - [ 0.0000762500000000, -0.0003204800000000, -0.0001425500000000 ] - [ 0.0045849600000000, -0.0000761300000000, 0.0022223100000000 ] - [ -0.0001221000000000, 0.0000070300000000, 0.0002722000000000 ] - [ 0.0003079400000000, -0.0000039600000000, -0.0001912700000000 ] - [ -0.0002964200000000, -0.0001147300000000, 0.0001140000000000 ] - [ -0.0002693900000000, 0.0000349400000000, 0.0001305300000000 ] - [ 0.0007649500000000, 0.0005026400000000, 0.0000347900000000 ] - [ 0.0002110700000000, -0.0005850100000000, 0.0002398600000000 ] - [ -0.0000498700000000, -0.0008444400000000, 0.0001762600000000 ] - [ -0.0034120500000000, 0.0012559900000000, -0.0009627000000000 ] - [ 0.0001885200000000, 0.0006326000000000, 0.0000986900000000 ] - [ 0.0000386700000000, -0.0004958100000000, 0.0000009800000000 ] - [ -0.0006913100000000, 0.0010764400000000, -0.0004791200000000 ] - [ 0.0002424200000000, 0.0002212600000000, -0.0001275000000000 ] - [ -0.0001018000000000, -0.0004359600000000, 0.0000174800000000 ] - [ 0.0018737700000000, -0.0008319100000000, 0.0079785200000000 ] - [ 0.0002434000000000, -0.0001610500000000, 0.0000708800000000 ] - [ 0.0003617500000000, 0.0001216700000000, -0.0000237500000000 ] - [ -0.0001122600000000, 0.0000362800000000, 0.0001635600000000 ] - [ -0.0002081000000000, -0.0004515200000000, -0.0002890000000000 ] - [ -0.0000375800000000, 0.0005185800000000, 0.0000995200000000 ] - [ -0.0000979500000000, 0.0003244600000000, -0.0001001700000000 ] - [ -0.0000265100000000, -0.0003331500000000, 0.0001519700000000 ] - [ -0.0003943900000000, -0.0001539300000000, -0.0000128700000000 ] - [ 0.0002137400000000, -0.0003495100000000, 0.0002490800000000 ] - [ 0.0004407500000000, 0.0001176100000000, -0.0001668300000000 ] - [ -0.0006403000000000, 0.0000931700000000, 0.0000086600000000 ]- atom: 33 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ -0.0000898000000000, -0.0011400800000000, -0.0019386000000000 ] - [ -0.0007255600000000, -0.0000860100000000, -0.0002482900000000 ] - [ -0.0006740300000000, -0.0000037600000000, -0.0002578900000000 ] - [ 0.0003461700000000, -0.0003676600000000, -0.0001410500000000 ] - [ -0.0020409600000000, -0.0003685400000000, -0.0016138500000000 ] - [ 0.0002847600000000, -0.0002137800000000, -0.0004657400000000 ] - [ 0.0002308300000000, 0.0002461400000000, -0.0007176900000000 ] - [ -0.0001731400000000, 0.0001383600000000, 0.0004847100000000 ] - [ 0.0005874700000000, -0.0005038800000000, 0.0004258600000000 ] - [ -0.0001511000000000, -0.0007633200000000, 0.0001245400000000 ] - [ -0.0092629400000000, -0.0189046500000000, -0.0374024100000000 ] - [ 0.0006294900000000, 0.0005205500000000, 0.0004056000000000 ] - [ 0.0007296700000000, -0.0001295800000000, 0.0002946700000000 ] - [ -0.0008297200000000, -0.0001286100000000, 0.0002033800000000 ] - [ -0.0011880700000000, 0.0163021700000000, -0.0756945500000000 ] - [ 0.0008315000000000, 0.0000176700000000, 0.0002831500000000 ] - [ -0.0001658600000000, -0.0002539200000000, 0.0006800300000000 ] - [ 0.0002217400000000, -0.0001645900000000, -0.0002862500000000 ] - [ -0.0185024800000000, 0.0062993300000000, -0.0200410300000000 ] - [ -0.0000988900000000, 0.0003161500000000, 0.0005585800000000 ] - [ 0.0000650500000000, -0.0003863900000000, -0.0027330600000000 ] - [ -0.0006204400000000, -0.0005067000000000, -0.0003591200000000 ] - [ -0.0005243400000000, 0.0005390100000000, -0.0003951700000000 ] - [ 0.0005613700000000, 0.0005345100000000, 0.0012642400000000 ] - [ -0.0018964700000000, -0.0009726500000000, 0.0030898900000000 ] - [ 0.0003674100000000, 0.0002621300000000, -0.0003016000000000 ] - [ 0.0003610700000000, -0.0002483500000000, -0.0002656300000000 ] - [ -0.0003425400000000, -0.0003403100000000, 0.0002529100000000 ] - [ -0.0000813800000000, -0.0001474200000000, -0.0002012100000000 ] - [ -0.0038230800000000, -0.0051965400000000, -0.0060870100000000 ] - [ 0.0007737700000000, 0.0003791000000000, -0.0002765900000000 ] - [ -0.0001335500000000, 0.0001546800000000, -0.0002084600000000 ] - [ 0.0356995600000000, 0.0020861400000000, 0.1639955600000000 ] - [ 0.0002658800000000, 0.0004361900000000, -0.0005150200000000 ] - [ 0.0003357400000000, -0.0004328900000000, -0.0004873800000000 ] - [ -0.0005669700000000, -0.0004431000000000, 0.0000731000000000 ] - [ 0.0034088900000000, -0.0027497700000000, -0.0020468000000000 ] - [ -0.0000545100000000, 0.0000074000000000, -0.0003470600000000 ] - [ 0.0001377300000000, 0.0000548900000000, -0.0002262500000000 ] - [ -0.0000208600000000, 0.0000460500000000, 0.0003510300000000 ] - [ 0.0002077700000000, -0.0002214600000000, -0.0003423800000000 ] - [ 0.0014120700000000, 0.0009523400000000, 0.0001942000000000 ] - [ -0.0004235500000000, -0.0000955400000000, 0.0001968500000000 ] - [ 0.0000396400000000, -0.0000126900000000, 0.0006039700000000 ] - [ 0.0004414800000000, -0.0007368400000000, -0.0004525800000000 ] - [ -0.0001357200000000, -0.0005800700000000, -0.0002359200000000 ] - [ -0.0003460900000000, 0.0007211200000000, -0.0001980800000000 ] - [ 0.0010355300000000, 0.0014174100000000, 0.0029277400000000 ] - [ -0.0003081700000000, 0.0002776100000000, 0.0003169800000000 ] - [ 0.0006649200000000, -0.0015216100000000, -0.0009243300000000 ] - [ -0.0008460200000000, 0.0020388400000000, -0.0114982100000000 ] - [ -0.0003683400000000, -0.0002645300000000, 0.0002946600000000 ] - [ -0.0000857900000000, -0.0000231400000000, -0.0003577300000000 ] - [ 0.0000385500000000, -0.0001447200000000, 0.0002273900000000 ] - [ 0.0000295200000000, 0.0001270800000000, 0.0001784500000000 ] - [ -0.0015840600000000, 0.0039550400000000, 0.0000191100000000 ] - [ -0.0004021400000000, 0.0004418100000000, 0.0004184200000000 ] - [ 0.0002294400000000, 0.0004765000000000, -0.0005457900000000 ] - [ 0.0000518300000000, -0.0005703600000000, -0.0008004100000000 ] - [ -0.0004895500000000, -0.0004753300000000, 0.0003730400000000 ] - [ -0.0002890500000000, 0.0000727700000000, 0.0002610300000000 ] - [ 0.0002621600000000, 0.0002891700000000, -0.0003315400000000 ] - [ -0.0042788200000000, 0.0001173700000000, -0.0027464800000000 ] - [ -0.0002286700000000, 0.0000107600000000, 0.0002084200000000 ] - [ 0.0003265100000000, -0.0001473800000000, -0.0000463700000000 ] - [ -0.0003234900000000, -0.0000278900000000, 0.0001193400000000 ] - [ -0.0003577400000000, 0.0001183300000000, 0.0001060500000000 ] - [ -0.0001498200000000, -0.0003624800000000, -0.0002691900000000 ] - [ 0.0001262200000000, -0.0006302900000000, 0.0001358900000000 ] - [ -0.0002538200000000, -0.0003575700000000, -0.0005864800000000 ] - [ 0.0030957000000000, -0.0000397800000000, 0.0005158800000000 ] - [ 0.0000949600000000, 0.0006006800000000, 0.0003032900000000 ] - [ -0.0000336300000000, -0.0005137900000000, -0.0000037200000000 ] - [ 0.0006400400000000, -0.0000422200000000, 0.0004839600000000 ] - [ -0.0002317900000000, 0.0004756400000000, 0.0001114800000000 ] - [ 0.0000934500000000, -0.0002603800000000, -0.0000081900000000 ] - [ -0.0025375700000000, 0.0005147400000000, -0.0077147200000000 ] - [ 0.0005190300000000, -0.0001361800000000, -0.0000641100000000 ] - [ 0.0003824700000000, 0.0001697800000000, 0.0000264500000000 ] - [ -0.0006371300000000, 0.0002643400000000, -0.0001690100000000 ] - [ 0.0002070000000000, -0.0005559700000000, 0.0002850100000000 ] - [ 0.0000313300000000, 0.0004881900000000, -0.0001009400000000 ] - [ 0.0001114000000000, 0.0003709500000000, 0.0000909200000000 ] - [ 0.0000178400000000, -0.0003610400000000, -0.0001440500000000 ] - [ -0.0003494100000000, -0.0001423600000000, 0.0000029900000000 ] - [ 0.0005346500000000, 0.0000546800000000, -0.0002440000000000 ] - [ 0.0003114600000000, 0.0001760500000000, 0.0001651400000000 ] - [ -0.0001159800000000, 0.0002044200000000, -0.0000119500000000 ]- atom: 37 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0034562600000000, -0.0013571600000000, 0.0000177500000000 ] - [ -0.0008474900000000, -0.0000214800000000, -0.0003009400000000 ] - [ -0.0009791100000000, 0.0001515700000000, -0.0002568500000000 ] - [ 0.0006337400000000, 0.0000569700000000, 0.0002892300000000 ] - [ 0.0435838500000000, -0.0070381900000000, 0.0162405100000000 ] - [ 0.0001115200000000, -0.0005680200000000, -0.0002150200000000 ] - [ -0.0000523700000000, 0.0001978200000000, -0.0009180800000000 ] - [ -0.0001397500000000, 0.0001938900000000, 0.0004560300000000 ] - [ 0.0003298700000000, -0.0002523300000000, 0.0002920500000000 ] - [ -0.0006595300000000, -0.0006129400000000, -0.0003871700000000 ] - [ 0.0470682700000000, 0.0027884600000000, -0.0176646600000000 ] - [ 0.0004820600000000, 0.0005508600000000, 0.0002590600000000 ] - [ 0.0005518900000000, 0.0005405400000000, 0.0006577100000000 ] - [ -0.0005110600000000, 0.0001001500000000, -0.0001459500000000 ] - [ 0.0200047800000000, -0.0172587800000000, -0.0053219600000000 ] - [ 0.0008279400000000, 0.0000577300000000, 0.0002289900000000 ] - [ -0.0002303700000000, -0.0004520800000000, 0.0007226400000000 ] - [ 0.0005243900000000, -0.0002024400000000, -0.0008853400000000 ] - [ 0.0035082900000000, -0.0002549200000000, -0.0011625000000000 ] - [ -0.0004286400000000, 0.0002026400000000, 0.0005568300000000 ] - [ 0.0036152800000000, -0.0008454000000000, 0.0008474100000000 ] - [ -0.0006840800000000, -0.0004776200000000, -0.0004447800000000 ] - [ -0.0005625500000000, 0.0004261900000000, -0.0005477900000000 ] - [ 0.0006979400000000, 0.0005659600000000, 0.0007401800000000 ] - [ 0.0093831200000000, -0.0004101700000000, -0.0042253900000000 ] - [ 0.0004397000000000, 0.0002672600000000, -0.0003597400000000 ] - [ 0.0004834300000000, -0.0001877300000000, -0.0003175600000000 ] - [ -0.0003542100000000, -0.0003331800000000, 0.0002386400000000 ] - [ 0.0000137200000000, -0.0001553600000000, -0.0001730000000000 ] - [ 0.0029382800000000, 0.0043581900000000, 0.0018193500000000 ] - [ -0.0000073000000000, 0.0002015400000000, 0.0001683300000000 ] - [ 0.0000965100000000, -0.0000339300000000, -0.0002492400000000 ] - [ -0.0023406400000000, -0.0010112600000000, -0.0031843800000000 ] - [ 0.0006475700000000, 0.0005362200000000, -0.0001930800000000 ] - [ 0.0004263900000000, -0.0004462100000000, -0.0004032100000000 ] - [ -0.0005567600000000, -0.0004852700000000, 0.0002726100000000 ] - [ -0.1364315000000000, 0.0243605300000000, 0.0064179000000000 ] - [ 0.0003364700000000, -0.0000049000000000, -0.0002302900000000 ] - [ 0.0009824100000000, -0.0008729400000000, -0.0002027700000000 ] - [ -0.0003181600000000, -0.0000721300000000, 0.0003181000000000 ] - [ 0.0002410300000000, -0.0000466800000000, -0.0001245400000000 ] - [ -0.0024085200000000, 0.0040912100000000, 0.0009975200000000 ] - [ -0.0004970500000000, 0.0002565800000000, -0.0000593200000000 ] - [ -0.0004842900000000, -0.0003709000000000, 0.0003154800000000 ] - [ -0.0033716900000000, 0.0000559300000000, 0.0012254700000000 ] - [ 0.0005649400000000, -0.0008770600000000, -0.0007561400000000 ] - [ -0.0000265000000000, 0.0004991200000000, -0.0000601000000000 ] - [ -0.0025205100000000, 0.0019153100000000, 0.0001250200000000 ] - [ -0.0003509500000000, 0.0002964400000000, 0.0002809100000000 ] - [ 0.0003916900000000, 0.0002364500000000, -0.0002568400000000 ] - [ -0.0015307100000000, -0.0026470700000000, 0.0019090600000000 ] - [ -0.0002452000000000, -0.0002466200000000, 0.0002628000000000 ] - [ -0.0002247700000000, -0.0001569600000000, -0.0002472900000000 ] - [ 0.0003792500000000, -0.0001558300000000, 0.0001039400000000 ] - [ 0.0000707800000000, 0.0001180600000000, 0.0002137700000000 ] - [ 0.0029619200000000, -0.0039361200000000, -0.0011059700000000 ] - [ -0.0002017500000000, 0.0004098000000000, 0.0005460000000000 ] - [ 0.0003015500000000, 0.0004067500000000, -0.0005263400000000 ] - [ 0.0103940500000000, -0.0033522300000000, 0.0041783300000000 ] - [ -0.0002933500000000, -0.0004180900000000, 0.0004883600000000 ] - [ 0.0000490500000000, -0.0001008400000000, 0.0002760200000000 ] - [ 0.0001593800000000, -0.0000495900000000, -0.0002273300000000 ] - [ 0.0004485000000000, -0.0002063500000000, -0.0003134800000000 ] - [ 0.0001056900000000, 0.0000119800000000, 0.0002815100000000 ] - [ 0.0004896800000000, -0.0001222800000000, -0.0001116600000000 ] - [ -0.0000918400000000, 0.0001777900000000, 0.0004211800000000 ] - [ -0.0001010800000000, 0.0001662500000000, 0.0002207100000000 ] - [ 0.0006149200000000, 0.0001407900000000, -0.0002575200000000 ] - [ 0.0003186300000000, -0.0006724200000000, 0.0001685800000000 ] - [ -0.0001711700000000, -0.0012184300000000, 0.0001455800000000 ] - [ -0.0001723000000000, 0.0004472300000000, -0.0008242000000000 ] - [ 0.0002979400000000, 0.0005352100000000, 0.0002527600000000 ] - [ -0.0002848300000000, 0.0004327300000000, 0.0009363700000000 ] - [ -0.0000016700000000, 0.0006706400000000, -0.0007628800000000 ] - [ 0.0003551800000000, 0.0000640300000000, 0.0002989900000000 ] - [ 0.0001860600000000, -0.0003182800000000, -0.0002025000000000 ] - [ -0.0001335200000000, -0.0001357800000000, -0.0000317900000000 ] - [ 0.0005181900000000, -0.0001079000000000, 0.0001134000000000 ] - [ 0.0004484900000000, 0.0001703600000000, 0.0000145400000000 ] - [ 0.0002944000000000, 0.0011619600000000, -0.0002332200000000 ] - [ -0.0006663300000000, -0.0002345900000000, -0.0001438100000000 ] - [ -0.0002807200000000, 0.0005494400000000, -0.0000085900000000 ] - [ -0.0002209800000000, 0.0003366100000000, 0.0000083600000000 ] - [ -0.0006079400000000, -0.0001491500000000, 0.0001446300000000 ] - [ -0.0005371000000000, -0.0001819000000000, -0.0000229700000000 ] - [ 0.0001502700000000, 0.0000198700000000, -0.0001136500000000 ] - [ 0.0003577100000000, 0.0001523900000000, -0.0002831300000000 ] - [ -0.0007146900000000, 0.0001800600000000, -0.0000096000000000 ]- atom: 37 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ -0.0020302800000000, 0.0012219500000000, 0.0005205900000000 ] - [ -0.0005894000000000, -0.0001227600000000, -0.0002176400000000 ] - [ -0.0005006000000000, 0.0000007500000000, -0.0002456400000000 ] - [ 0.0008244100000000, 0.0000877100000000, 0.0002338400000000 ] - [ -0.0458523600000000, 0.0068858900000000, -0.0162414400000000 ] - [ 0.0002838500000000, 0.0000514200000000, -0.0009651800000000 ] - [ 0.0004548300000000, 0.0003234200000000, -0.0002995900000000 ] - [ -0.0002680700000000, 0.0003346200000000, 0.0007627400000000 ] - [ 0.0008227900000000, -0.0007543700000000, 0.0005224600000000 ] - [ -0.0005132300000000, -0.0004568600000000, -0.0004252900000000 ] - [ -0.0502389100000000, -0.0020327500000000, 0.0180806800000000 ] - [ 0.0007010100000000, 0.0005255100000000, 0.0005498400000000 ] - [ 0.0008974500000000, -0.0006685300000000, -0.0001123600000000 ] - [ -0.0009440600000000, -0.0002412000000000, -0.0003668300000000 ] - [ -0.0215697200000000, 0.0177490400000000, 0.0049215400000000 ] - [ 0.0006115000000000, 0.0001182800000000, 0.0002835400000000 ] - [ -0.0001800600000000, -0.0000572700000000, 0.0005088000000000 ] - [ -0.0001387400000000, -0.0003013600000000, -0.0003161400000000 ] - [ -0.0031530700000000, 0.0008093000000000, -0.0000109300000000 ] - [ 0.0000268900000000, 0.0003343900000000, 0.0006347900000000 ] - [ -0.0025014300000000, -0.0001216200000000, -0.0000206000000000 ] - [ -0.0004999200000000, -0.0005891700000000, -0.0003904800000000 ] - [ -0.0005918100000000, 0.0005937800000000, -0.0002259900000000 ] - [ 0.0004711200000000, 0.0005050600000000, 0.0000812000000000 ] - [ -0.0103187600000000, 0.0009555700000000, 0.0049009100000000 ] - [ 0.0003377800000000, 0.0002736600000000, -0.0002570700000000 ] - [ 0.0002704100000000, -0.0003030700000000, -0.0002866800000000 ] - [ -0.0003900600000000, -0.0002108700000000, 0.0003399100000000 ] - [ -0.0001407700000000, -0.0001454100000000, -0.0002094500000000 ] - [ -0.0028481300000000, -0.0047374300000000, -0.0014240100000000 ] - [ 0.0001505200000000, 0.0000443600000000, 0.0002475800000000 ] - [ -0.0002434400000000, 0.0002802100000000, -0.0001714700000000 ] - [ 0.0015455400000000, 0.0019015700000000, 0.0040218500000000 ] - [ 0.0001646300000000, 0.0003993800000000, -0.0006558000000000 ] - [ 0.0003386700000000, -0.0004378100000000, -0.0004917700000000 ] - [ -0.0002564600000000, -0.0004095700000000, 0.0005899200000000 ] - [ 0.1405017300000000, -0.0250535200000000, -0.0060235600000000 ] - [ 0.0000098800000000, 0.0000096600000000, -0.0002525500000000 ] - [ -0.0005743700000000, 0.0008889500000000, -0.0002921900000000 ] - [ -0.0000471600000000, 0.0001087900000000, 0.0001838300000000 ] - [ 0.0004191100000000, -0.0001150200000000, -0.0000955800000000 ] - [ 0.0017528600000000, -0.0042285000000000, -0.0007908600000000 ] - [ -0.0001244800000000, -0.0001144600000000, 0.0002991900000000 ] - [ 0.0011028100000000, 0.0005150100000000, -0.0005410400000000 ] - [ 0.0036917700000000, -0.0012561800000000, -0.0007715900000000 ] - [ -0.0008602200000000, -0.0003429100000000, 0.0003442500000000 ] - [ -0.0002862800000000, 0.0006840800000000, -0.0003712900000000 ] - [ 0.0028334300000000, -0.0006490500000000, 0.0002212800000000 ] - [ -0.0003763200000000, 0.0002401700000000, 0.0003097900000000 ] - [ 0.0003780600000000, 0.0002854100000000, -0.0003734800000000 ] - [ 0.0023486400000000, 0.0021540400000000, -0.0025381400000000 ] - [ -0.0005201000000000, -0.0002916100000000, 0.0003090400000000 ] - [ 0.0000785000000000, -0.0001337900000000, -0.0001458200000000 ] - [ -0.0002308800000000, -0.0001610500000000, 0.0003241700000000 ] - [ 0.0000550200000000, 0.0001203800000000, 0.0001875900000000 ] - [ -0.0031515600000000, 0.0042640000000000, 0.0007218800000000 ] - [ -0.0006097500000000, 0.0004768100000000, 0.0002969500000000 ] - [ 0.0005033000000000, 0.0005088400000000, -0.0003368300000000 ] - [ -0.0098268100000000, 0.0025072600000000, -0.0051803100000000 ] - [ -0.0005024300000000, -0.0004897300000000, 0.0003820200000000 ] - [ -0.0003837000000000, 0.0000567600000000, 0.0002553400000000 ] - [ 0.0002032900000000, 0.0000387600000000, -0.0002547900000000 ] - [ -0.0000926900000000, 0.0002228600000000, -0.0001697600000000 ] - [ -0.0004724000000000, 0.0000094100000000, 0.0002043200000000 ] - [ 0.0001682500000000, -0.0000382700000000, -0.0001193100000000 ] - [ -0.0005424000000000, -0.0003255600000000, -0.0001852300000000 ] - [ -0.0005229700000000, -0.0000212100000000, 0.0000249600000000 ] - [ 0.0000203600000000, 0.0000012400000000, 0.0000226400000000 ] - [ 0.0000235600000000, -0.0005505300000000, 0.0001960800000000 ] - [ -0.0001471300000000, 0.0000334900000000, -0.0005704500000000 ] - [ -0.0001404200000000, 0.0007479100000000, 0.0003902900000000 ] - [ 0.0000098200000000, 0.0006760100000000, 0.0001623400000000 ] - [ 0.0002942800000000, -0.0014207500000000, -0.0009053600000000 ] - [ -0.0000022200000000, 0.0003397300000000, 0.0007358800000000 ] - [ -0.0003351900000000, 0.0006209800000000, -0.0002878400000000 ] - [ -0.0001807500000000, -0.0003740400000000, 0.0001990100000000 ] - [ -0.0006068400000000, -0.0001583500000000, 0.0000281600000000 ] - [ 0.0002744100000000, -0.0001687100000000, -0.0001049300000000 ] - [ 0.0003041300000000, 0.0001193700000000, -0.0000120200000000 ] - [ -0.0010253600000000, -0.0008561000000000, 0.0002346900000000 ] - [ 0.0006613600000000, -0.0007749100000000, 0.0001397400000000 ] - [ 0.0002634500000000, 0.0004583000000000, 0.0000032300000000 ] - [ 0.0002247200000000, 0.0003545800000000, -0.0000138600000000 ] - [ 0.0005920300000000, -0.0005442400000000, -0.0001385200000000 ] - [ -0.0002150000000000, -0.0001142200000000, 0.0000193600000000 ] - [ 0.0005954000000000, -0.0003182300000000, 0.0001157300000000 ] - [ 0.0003857500000000, 0.0001371200000000, 0.0002875500000000 ] - [ -0.0000505600000000, 0.0001151900000000, 0.0000101600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006111400000000, -0.0004013600000000, -0.0003455800000000 ] - [ -0.0006940800000000, -0.0000893600000000, -0.0002519800000000 ] - [ -0.0007542500000000, 0.0000937600000000, -0.0002976300000000 ] - [ 0.0008248500000000, 0.0000648300000000, 0.0001426300000000 ] - [ -0.0044531100000000, 0.0109922500000000, -0.0057530000000000 ] - [ 0.0001889600000000, -0.0002681100000000, -0.0006411400000000 ] - [ 0.0003847100000000, 0.0004801800000000, -0.0001227000000000 ] - [ -0.0002638500000000, 0.0000434400000000, 0.0007299600000000 ] - [ 0.0008113900000000, -0.0004327000000000, 0.0002566300000000 ] - [ -0.0007319600000000, -0.0008909000000000, -0.0004224100000000 ] - [ 0.0104424500000000, 0.0072712800000000, -0.0008220900000000 ] - [ 0.0005948400000000, 0.0006018300000000, 0.0004206800000000 ] - [ 0.0005349000000000, -0.0007471900000000, 0.0000043400000000 ] - [ -0.0005955200000000, -0.0000560100000000, -0.0003964700000000 ] - [ -0.0300344100000000, 0.0423371100000000, 0.0062073100000000 ] - [ 0.0006942800000000, 0.0000931800000000, 0.0002562200000000 ] - [ -0.0001718300000000, -0.0002147900000000, 0.0006303600000000 ] - [ -0.0001501000000000, -0.0002691700000000, -0.0003518500000000 ] - [ -0.0002795300000000, 0.0034826600000000, -0.0014413200000000 ] - [ -0.0002172900000000, 0.0002599000000000, 0.0005982300000000 ] - [ -0.0002466000000000, 0.0009402700000000, 0.0026105600000000 ] - [ -0.0006094700000000, -0.0005333000000000, -0.0004130500000000 ] - [ -0.0006238900000000, 0.0005056500000000, -0.0003632500000000 ] - [ 0.0005411500000000, 0.0005887000000000, 0.0002073600000000 ] - [ 0.0026647200000000, -0.0010180300000000, -0.0014326200000000 ] - [ 0.0003998100000000, 0.0002694800000000, -0.0003141600000000 ] - [ 0.0003199100000000, -0.0002518500000000, -0.0002479300000000 ] - [ -0.0003704800000000, -0.0003015000000000, 0.0003349000000000 ] - [ -0.0000685100000000, -0.0001631300000000, -0.0001880600000000 ] - [ 0.0034782700000000, -0.0011952100000000, 0.0006346600000000 ] - [ 0.0001000300000000, 0.0001422000000000, 0.0003263400000000 ] - [ -0.0000822000000000, 0.0001267100000000, -0.0002008000000000 ] - [ -0.0009841600000000, -0.0002868800000000, 0.0031230700000000 ] - [ 0.0003997000000000, 0.0004596100000000, -0.0004136900000000 ] - [ 0.0003031800000000, -0.0004374000000000, -0.0004842400000000 ] - [ -0.0003289700000000, -0.0002789400000000, 0.0004600500000000 ] - [ 0.0252079300000000, -0.0757333700000000, -0.0010730800000000 ] - [ 0.0001802800000000, -0.0000182600000000, -0.0002609700000000 ] - [ -0.0006836900000000, 0.0007702500000000, -0.0006358100000000 ] - [ -0.0000859500000000, -0.0000010500000000, 0.0003556000000000 ] - [ 0.0003214900000000, -0.0000997200000000, -0.0001123700000000 ] - [ 0.0028333200000000, 0.0050547000000000, 0.0028504200000000 ] - [ -0.0003333800000000, 0.0000986700000000, 0.0001023700000000 ] - [ 0.0001300800000000, -0.0002989100000000, -0.0001862800000000 ] - [ 0.0012789600000000, -0.0011535400000000, 0.0021936500000000 ] - [ -0.0001685400000000, -0.0007489100000000, -0.0001650400000000 ] - [ -0.0001374300000000, 0.0005711100000000, -0.0002659100000000 ] - [ 0.0011156700000000, 0.0025913300000000, -0.0029719200000000 ] - [ -0.0003671400000000, 0.0002585700000000, 0.0002546800000000 ] - [ 0.0003038000000000, 0.0002233400000000, -0.0003176700000000 ] - [ -0.0014679000000000, 0.0020381800000000, -0.0029158700000000 ] - [ -0.0003781400000000, -0.0002629700000000, 0.0002815600000000 ] - [ -0.0000382600000000, -0.0001933000000000, -0.0002031900000000 ] - [ -0.0000303000000000, -0.0000269800000000, 0.0002942100000000 ] - [ 0.0000616500000000, 0.0001189300000000, 0.0001947900000000 ] - [ -0.0092741500000000, 0.0086552700000000, 0.0021786300000000 ] - [ -0.0006269000000000, 0.0004551300000000, 0.0003215100000000 ] - [ 0.0004304600000000, 0.0004417800000000, -0.0001298400000000 ] - [ -0.0009502100000000, -0.0018663700000000, -0.0005814300000000 ] - [ -0.0004185700000000, -0.0004600100000000, 0.0004331200000000 ] - [ -0.0002470900000000, 0.0000019900000000, 0.0002467700000000 ] - [ 0.0002187400000000, 0.0000213900000000, -0.0002515800000000 ] - [ -0.0000472200000000, -0.0004624100000000, -0.0002688800000000 ] - [ -0.0001808500000000, 0.0000175100000000, 0.0002401100000000 ] - [ 0.0003565800000000, -0.0001551700000000, -0.0001441000000000 ] - [ -0.0003093700000000, -0.0000433700000000, 0.0001712400000000 ] - [ -0.0003359400000000, 0.0001047800000000, 0.0000860500000000 ] - [ 0.0003564600000000, 0.0001988500000000, -0.0002510600000000 ] - [ 0.0001437200000000, -0.0005988600000000, 0.0002120300000000 ] - [ -0.0001279300000000, -0.0003229500000000, -0.0006649200000000 ] - [ -0.0001650200000000, 0.0005576700000000, 0.0000307300000000 ] - [ 0.0001290900000000, 0.0006388000000000, 0.0001884100000000 ] - [ 0.0004201200000000, -0.0007443300000000, -0.0006104400000000 ] - [ 0.0000704700000000, 0.0002115800000000, 0.0002092800000000 ] - [ 0.0007313400000000, 0.0007644200000000, -0.0014290200000000 ] - [ -0.0000418100000000, -0.0005247800000000, -0.0000061400000000 ] - [ -0.0003448000000000, -0.0001075400000000, -0.0000257300000000 ] - [ 0.0018007700000000, 0.0001428900000000, -0.0000447000000000 ] - [ 0.0003820000000000, 0.0001264100000000, -0.0000280300000000 ] - [ -0.0009070600000000, -0.0008305400000000, 0.0004368800000000 ] - [ 0.0001303800000000, -0.0005485500000000, 0.0000581200000000 ] - [ 0.0001248900000000, 0.0004866200000000, -0.0000459400000000 ] - [ 0.0000783400000000, 0.0003358100000000, 0.0000236100000000 ] - [ -0.0000244500000000, -0.0002574400000000, -0.0000354600000000 ] - [ -0.0003573400000000, -0.0001500600000000, 0.0000071200000000 ] - [ 0.0007869400000000, -0.0005101700000000, 0.0001551400000000 ] - [ 0.0003458400000000, 0.0001659600000000, 0.0000634900000000 ] - [ -0.0003016000000000, 0.0001503900000000, -0.0000034600000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020357500000000, 0.0002439600000000, 0.0008795900000000 ] - [ -0.0007315200000000, -0.0000664600000000, -0.0002654500000000 ] - [ -0.0007266400000000, 0.0000647800000000, -0.0001894200000000 ] - [ 0.0006359800000000, 0.0000876000000000, 0.0003806800000000 ] - [ 0.0042011800000000, -0.0115967300000000, 0.0071021900000000 ] - [ 0.0002001800000000, -0.0002550400000000, -0.0005316400000000 ] - [ 0.0000192000000000, 0.0000493300000000, -0.0010748600000000 ] - [ -0.0001455800000000, 0.0005010700000000, 0.0004512800000000 ] - [ 0.0003329700000000, -0.0005584900000000, 0.0005536000000000 ] - [ -0.0004407800000000, -0.0001391800000000, -0.0003783900000000 ] - [ -0.0114249500000000, -0.0062323300000000, -0.0000516600000000 ] - [ 0.0005862200000000, 0.0004689500000000, 0.0003858200000000 ] - [ 0.0009151500000000, 0.0006107200000000, 0.0005425200000000 ] - [ -0.0008593300000000, -0.0000930600000000, -0.0001105800000000 ] - [ 0.0270964000000000, -0.0399014900000000, -0.0060809600000000 ] - [ 0.0007280200000000, 0.0000971100000000, 0.0002435500000000 ] - [ -0.0002414000000000, -0.0002990500000000, 0.0005905300000000 ] - [ 0.0005451800000000, -0.0002497600000000, -0.0008353400000000 ] - [ 0.0006179000000000, -0.0029771200000000, 0.0002780700000000 ] - [ -0.0001835800000000, 0.0002912700000000, 0.0005714500000000 ] - [ 0.0013612700000000, -0.0019610800000000, -0.0018321800000000 ] - [ -0.0005748600000000, -0.0005281200000000, -0.0004254500000000 ] - [ -0.0005272500000000, 0.0004920800000000, -0.0003843600000000 ] - [ 0.0006295000000000, 0.0004744000000000, 0.0006099700000000 ] - [ -0.0033272200000000, 0.0015511200000000, 0.0019859200000000 ] - [ 0.0003830800000000, 0.0002719400000000, -0.0003055100000000 ] - [ 0.0004291500000000, -0.0002265600000000, -0.0003633900000000 ] - [ -0.0003726400000000, -0.0002404500000000, 0.0002512800000000 ] - [ -0.0000595600000000, -0.0001337500000000, -0.0001914200000000 ] - [ -0.0033733100000000, 0.0009257100000000, -0.0001942900000000 ] - [ 0.0000457600000000, 0.0001016500000000, 0.0000852100000000 ] - [ -0.0000742400000000, 0.0001212800000000, -0.0002229600000000 ] - [ 0.0001766800000000, 0.0011708700000000, -0.0022930500000000 ] - [ 0.0004130400000000, 0.0004815700000000, -0.0004371900000000 ] - [ 0.0004592300000000, -0.0004403600000000, -0.0004135800000000 ] - [ -0.0004882000000000, -0.0006189700000000, 0.0004078100000000 ] - [ -0.0242338300000000, 0.0733764700000000, 0.0009651400000000 ] - [ 0.0001644800000000, 0.0000255100000000, -0.0002224200000000 ] - [ 0.0010885200000000, -0.0007418700000000, 0.0001389000000000 ] - [ -0.0002715800000000, 0.0000413900000000, 0.0001455200000000 ] - [ 0.0003442900000000, -0.0000649400000000, -0.0001013300000000 ] - [ -0.0034859600000000, -0.0052495400000000, -0.0026246400000000 ] - [ -0.0002773500000000, 0.0000407000000000, 0.0001354300000000 ] - [ 0.0004763600000000, 0.0004490300000000, -0.0000468100000000 ] - [ -0.0009657400000000, -0.0000716000000000, -0.0018215800000000 ] - [ -0.0001216600000000, -0.0004765200000000, -0.0002291000000000 ] - [ -0.0001614300000000, 0.0006103900000000, -0.0001758800000000 ] - [ -0.0008416400000000, -0.0013605500000000, 0.0034016600000000 ] - [ -0.0003524900000000, 0.0002687100000000, 0.0003443000000000 ] - [ 0.0004730600000000, 0.0002980000000000, -0.0003191000000000 ] - [ 0.0022237100000000, -0.0024689200000000, 0.0022631500000000 ] - [ -0.0003979100000000, -0.0002743600000000, 0.0002912000000000 ] - [ -0.0001089400000000, -0.0000939200000000, -0.0001857900000000 ] - [ 0.0001745200000000, -0.0002907000000000, 0.0001439300000000 ] - [ 0.0000621200000000, 0.0001163500000000, 0.0001975000000000 ] - [ 0.0090795800000000, -0.0083195100000000, -0.0025533500000000 ] - [ -0.0001909700000000, 0.0004217300000000, 0.0005199600000000 ] - [ 0.0003777300000000, 0.0004737300000000, -0.0007412000000000 ] - [ 0.0017384800000000, 0.0009492700000000, -0.0003120800000000 ] - [ -0.0003782600000000, -0.0004544400000000, 0.0004411900000000 ] - [ -0.0000895300000000, -0.0000543700000000, 0.0002922200000000 ] - [ 0.0001357200000000, -0.0000388800000000, -0.0002282800000000 ] - [ 0.0003850700000000, 0.0005122700000000, -0.0002180100000000 ] - [ -0.0001857200000000, 0.0000017900000000, 0.0002417300000000 ] - [ 0.0002926900000000, -0.0000012500000000, -0.0000875700000000 ] - [ -0.0003240100000000, -0.0000996500000000, 0.0000639300000000 ] - [ -0.0002898300000000, 0.0000442200000000, 0.0001532800000000 ] - [ 0.0002721500000000, -0.0000550100000000, 0.0000145800000000 ] - [ 0.0001890100000000, -0.0006248900000000, 0.0001521500000000 ] - [ -0.0001767900000000, -0.0008697900000000, 0.0002471500000000 ] - [ -0.0001421600000000, 0.0006355500000000, -0.0004649900000000 ] - [ 0.0001531700000000, 0.0005839400000000, 0.0002249800000000 ] - [ -0.0004261800000000, -0.0002644000000000, 0.0006194900000000 ] - [ -0.0000849200000000, 0.0007955800000000, -0.0002338300000000 ] - [ -0.0007093700000000, -0.0000816700000000, 0.0014059600000000 ] - [ 0.0000386700000000, -0.0001608200000000, 0.0000129800000000 ] - [ -0.0004020500000000, -0.0001913100000000, 0.0000202700000000 ] - [ -0.0010390000000000, -0.0004574500000000, 0.0000443700000000 ] - [ 0.0003640200000000, 0.0001648100000000, 0.0000313200000000 ] - [ 0.0001539000000000, 0.0011493800000000, -0.0004477600000000 ] - [ -0.0001292800000000, -0.0004619300000000, -0.0000588000000000 ] - [ -0.0001327700000000, 0.0005225600000000, 0.0000420800000000 ] - [ -0.0000657800000000, 0.0003573900000000, -0.0000303500000000 ] - [ 0.0000131900000000, -0.0004357000000000, 0.0000399100000000 ] - [ -0.0003879300000000, -0.0001476600000000, -0.0000147900000000 ] - [ -0.0000367200000000, 0.0002158900000000, -0.0001540000000000 ] - [ 0.0004025900000000, 0.0001248800000000, -0.0000612200000000 ] - [ -0.0004540000000000, 0.0001447200000000, 0.0000007800000000 ]- atom: 37 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0005465300000000, -0.0008295900000000, 0.0025792500000000 ] - [ -0.0007375800000000, -0.0000255600000000, -0.0002212200000000 ] - [ -0.0006906300000000, 0.0001591000000000, -0.0003837600000000 ] - [ 0.0006453200000000, 0.0000637000000000, 0.0002116300000000 ] - [ 0.0262323600000000, -0.0097503100000000, 0.0177659000000000 ] - [ 0.0000943700000000, -0.0001421500000000, -0.0008326800000000 ] - [ 0.0001662300000000, 0.0003783700000000, -0.0004271500000000 ] - [ -0.0004545200000000, -0.0000175100000000, -0.0003357000000000 ] - [ 0.0005860900000000, -0.0007003300000000, 0.0005871300000000 ] - [ -0.0002820600000000, -0.0018020000000000, -0.0000998100000000 ] - [ -0.0280642800000000, 0.0030958200000000, 0.0207833900000000 ] - [ 0.0006108300000000, 0.0004664200000000, 0.0002984600000000 ] - [ 0.0007052200000000, -0.0000364400000000, 0.0001199400000000 ] - [ -0.0006503000000000, 0.0000760200000000, -0.0001200500000000 ] - [ -0.0096245200000000, 0.0069033300000000, 0.0138094200000000 ] - [ 0.0007588000000000, 0.0000614600000000, 0.0002393900000000 ] - [ -0.0001969900000000, -0.0003078300000000, 0.0006814600000000 ] - [ 0.0001432600000000, -0.0001778700000000, -0.0005786600000000 ] - [ -0.0009699000000000, 0.0000238200000000, -0.0013099100000000 ] - [ -0.0003284500000000, 0.0002418700000000, 0.0005363200000000 ] - [ 0.0014075700000000, 0.0011420900000000, 0.0017019000000000 ] - [ -0.0005263700000000, -0.0005453200000000, -0.0004098700000000 ] - [ -0.0005632900000000, 0.0004473300000000, -0.0004009400000000 ] - [ 0.0005222200000000, 0.0004778600000000, 0.0002730300000000 ] - [ -0.0080740400000000, 0.0003712700000000, 0.0022664100000000 ] - [ 0.0003354000000000, 0.0002801400000000, -0.0002961900000000 ] - [ 0.0003835200000000, -0.0002294600000000, -0.0003045200000000 ] - [ -0.0004229100000000, -0.0003048100000000, 0.0002625300000000 ] - [ -0.0000627300000000, -0.0001594600000000, -0.0001672200000000 ] - [ 0.0010554500000000, 0.0004634200000000, -0.0015922500000000 ] - [ 0.0000805900000000, 0.0002960200000000, 0.0002571100000000 ] - [ -0.0000727300000000, 0.0000919300000000, -0.0002248300000000 ] - [ -0.0028582400000000, 0.0029513900000000, 0.0027525900000000 ] - [ 0.0005684200000000, 0.0005085600000000, -0.0003227400000000 ] - [ 0.0003324400000000, -0.0004357200000000, -0.0004714700000000 ] - [ -0.0003731600000000, -0.0003253100000000, 0.0003437300000000 ] - [ 0.0103172700000000, -0.0017182800000000, -0.0704087000000000 ] - [ 0.0001746100000000, 0.0000139300000000, -0.0000792700000000 ] - [ 0.0002126800000000, -0.0003429000000000, -0.0005118100000000 ] - [ -0.0001021400000000, -0.0000770900000000, 0.0003139100000000 ] - [ 0.0003319200000000, -0.0000823800000000, -0.0001205500000000 ] - [ 0.0011699600000000, 0.0021481600000000, 0.0005341400000000 ] - [ -0.0003179200000000, -0.0000229800000000, 0.0001206700000000 ] - [ 0.0002255000000000, 0.0004203300000000, -0.0005801000000000 ] - [ 0.0003998600000000, 0.0019740600000000, 0.0057867000000000 ] - [ -0.0006820000000000, -0.0005007500000000, -0.0000614400000000 ] - [ 0.0000690900000000, 0.0005475200000000, -0.0001401700000000 ] - [ 0.0001815400000000, -0.0022654600000000, 0.0032915100000000 ] - [ -0.0003698700000000, 0.0002927300000000, 0.0002902200000000 ] - [ 0.0003386200000000, 0.0003429900000000, -0.0003093000000000 ] - [ 0.0025284800000000, -0.0027830500000000, -0.0006486800000000 ] - [ -0.0004480600000000, -0.0002729800000000, 0.0003406500000000 ] - [ -0.0000715800000000, -0.0001878900000000, -0.0002323700000000 ] - [ 0.0001453100000000, -0.0001280300000000, 0.0001958400000000 ] - [ 0.0000585600000000, 0.0001103000000000, 0.0002083000000000 ] - [ -0.0026281100000000, 0.0031507300000000, -0.0012593800000000 ] - [ -0.0004311900000000, 0.0004402900000000, 0.0004317500000000 ] - [ 0.0004604700000000, 0.0004947500000000, -0.0003391900000000 ] - [ 0.0089969100000000, -0.0022667900000000, 0.0021436000000000 ] - [ -0.0003395800000000, -0.0004449500000000, 0.0004688900000000 ] - [ -0.0001605300000000, -0.0000459600000000, 0.0002472800000000 ] - [ 0.0001880000000000, 0.0000007700000000, -0.0002055400000000 ] - [ 0.0000768300000000, 0.0000019000000000, -0.0007177100000000 ] - [ -0.0001472700000000, 0.0000160800000000, 0.0003240200000000 ] - [ 0.0003387100000000, -0.0000286900000000, -0.0001068700000000 ] - [ -0.0005177600000000, -0.0000938300000000, -0.0000381100000000 ] - [ -0.0002543900000000, 0.0000693200000000, 0.0002211700000000 ] - [ 0.0001790800000000, -0.0000419000000000, 0.0001035900000000 ] - [ 0.0002510100000000, -0.0006462500000000, 0.0001722300000000 ] - [ -0.0003276300000000, -0.0007402600000000, -0.0003233800000000 ] - [ -0.0001050500000000, 0.0006021000000000, 0.0001445700000000 ] - [ 0.0001268300000000, 0.0006223400000000, 0.0002150300000000 ] - [ -0.0001178400000000, -0.0005365200000000, 0.0000880700000000 ] - [ 0.0007543000000000, 0.0002817300000000, 0.0017292700000000 ] - [ -0.0009178600000000, -0.0003509400000000, 0.0015428900000000 ] - [ -0.0000621600000000, -0.0002604400000000, -0.0000840400000000 ] - [ -0.0003166300000000, -0.0000768200000000, -0.0001523100000000 ] - [ 0.0006854800000000, -0.0001869900000000, 0.0006792900000000 ] - [ 0.0003927400000000, 0.0001533000000000, -0.0000412900000000 ] - [ -0.0005386000000000, -0.0002842500000000, 0.0000946100000000 ] - [ -0.0002762800000000, -0.0003191000000000, -0.0000040900000000 ] - [ 0.0000138300000000, 0.0004963700000000, -0.0000235300000000 ] - [ -0.0000224400000000, 0.0003487300000000, 0.0000187800000000 ] - [ 0.0002298900000000, -0.0005218900000000, -0.0000788200000000 ] - [ -0.0003780500000000, -0.0001501100000000, -0.0000177200000000 ] - [ 0.0004767800000000, -0.0001715600000000, 0.0001042100000000 ] - [ 0.0003741500000000, 0.0001614800000000, -0.0003396500000000 ] - [ -0.0003873900000000, 0.0001489400000000, 0.0000422100000000 ]- atom: 37 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0008160600000000, 0.0006786500000000, -0.0020274800000000 ] - [ -0.0007065700000000, -0.0001273000000000, -0.0002940600000000 ] - [ -0.0007757300000000, -0.0000122300000000, -0.0001317100000000 ] - [ 0.0008073200000000, 0.0000821300000000, 0.0003048400000000 ] - [ -0.0274664600000000, 0.0093941400000000, -0.0170177000000000 ] - [ 0.0003104400000000, -0.0003809800000000, -0.0003555800000000 ] - [ 0.0002386600000000, 0.0001512500000000, -0.0007751200000000 ] - [ 0.0000510200000000, 0.0005471200000000, 0.0015283000000000 ] - [ 0.0005726800000000, -0.0003231900000000, 0.0002070300000000 ] - [ -0.0008943500000000, 0.0007549200000000, -0.0007156600000000 ] - [ 0.0260875200000000, -0.0021686000000000, -0.0211649100000000 ] - [ 0.0005659800000000, 0.0005933900000000, 0.0005210300000000 ] - [ 0.0007430400000000, -0.0001109800000000, 0.0003901100000000 ] - [ -0.0008052300000000, -0.0002225400000000, -0.0003928100000000 ] - [ 0.0081245600000000, -0.0067428600000000, -0.0142984400000000 ] - [ 0.0006725300000000, 0.0001097900000000, 0.0002715200000000 ] - [ -0.0002173900000000, -0.0002054300000000, 0.0005334300000000 ] - [ 0.0002483500000000, -0.0003468900000000, -0.0006092400000000 ] - [ 0.0013877100000000, 0.0005083700000000, 0.0001015000000000 ] - [ -0.0000729000000000, 0.0002913500000000, 0.0006524600000000 ] - [ -0.0002780600000000, -0.0021292800000000, -0.0008784900000000 ] - [ -0.0006531800000000, -0.0005255300000000, -0.0004171400000000 ] - [ -0.0005788500000000, 0.0005550200000000, -0.0003821900000000 ] - [ 0.0006501900000000, 0.0005863100000000, 0.0005539700000000 ] - [ 0.0073394200000000, 0.0001473700000000, -0.0016806600000000 ] - [ 0.0004533100000000, 0.0002592400000000, -0.0003173200000000 ] - [ 0.0003704300000000, -0.0002622800000000, -0.0003089100000000 ] - [ -0.0003329900000000, -0.0002323200000000, 0.0003348800000000 ] - [ -0.0000645300000000, -0.0001194700000000, -0.0002180100000000 ] - [ -0.0008768500000000, -0.0007498800000000, 0.0020326800000000 ] - [ 0.0000652500000000, -0.0000449400000000, 0.0001523400000000 ] - [ -0.0000810000000000, 0.0001671300000000, -0.0001969600000000 ] - [ 0.0019789200000000, -0.0020324700000000, -0.0018591800000000 ] - [ 0.0002327100000000, 0.0004278400000000, -0.0005352900000000 ] - [ 0.0004349100000000, -0.0004462000000000, -0.0004142500000000 ] - [ -0.0004366100000000, -0.0005728300000000, 0.0005296600000000 ] - [ -0.0088751500000000, 0.0015116100000000, 0.0710092700000000 ] - [ 0.0001578900000000, -0.0000182800000000, -0.0004054000000000 ] - [ 0.0001452900000000, 0.0003882000000000, 0.0000087300000000 ] - [ -0.0002406300000000, 0.0001232900000000, 0.0001846400000000 ] - [ 0.0003201500000000, -0.0000818500000000, -0.0001016000000000 ] - [ -0.0018044200000000, -0.0023045000000000, -0.0003298300000000 ] - [ -0.0002989800000000, 0.0001694800000000, 0.0001167200000000 ] - [ 0.0004004600000000, -0.0002645900000000, 0.0003419500000000 ] - [ -0.0001206100000000, -0.0032196200000000, -0.0054488600000000 ] - [ 0.0003851800000000, -0.0007173800000000, -0.0003450300000000 ] - [ -0.0003794000000000, 0.0006437600000000, -0.0002852300000000 ] - [ 0.0000887100000000, 0.0034824700000000, -0.0028984000000000 ] - [ -0.0003693000000000, 0.0002250800000000, 0.0003133300000000 ] - [ 0.0004416600000000, 0.0001809600000000, -0.0003220800000000 ] - [ -0.0017618000000000, 0.0023091200000000, 0.0000263200000000 ] - [ -0.0003308700000000, -0.0002615200000000, 0.0002463400000000 ] - [ -0.0000759300000000, -0.0000873100000000, -0.0001594000000000 ] - [ -0.0000002700000000, -0.0001662400000000, 0.0002383800000000 ] - [ 0.0000643300000000, 0.0001321600000000, 0.0001868600000000 ] - [ 0.0025109200000000, -0.0029094400000000, 0.0008422600000000 ] - [ -0.0003706200000000, 0.0004397600000000, 0.0004285500000000 ] - [ 0.0003390400000000, 0.0004231400000000, -0.0005357200000000 ] - [ -0.0081924200000000, 0.0013591200000000, -0.0030298400000000 ] - [ -0.0004511100000000, -0.0004677300000000, 0.0004015500000000 ] - [ -0.0001698500000000, -0.0000076500000000, 0.0002820700000000 ] - [ 0.0001520900000000, -0.0000231700000000, -0.0002747300000000 ] - [ 0.0002353700000000, 0.0000507700000000, 0.0002328400000000 ] - [ -0.0001955400000000, 0.0000061200000000, 0.0001617500000000 ] - [ 0.0003032300000000, -0.0001292100000000, -0.0001306300000000 ] - [ -0.0001056600000000, -0.0000523200000000, 0.0002758700000000 ] - [ -0.0003718700000000, 0.0000864600000000, 0.0000205800000000 ] - [ 0.0004425500000000, 0.0001887900000000, -0.0003468200000000 ] - [ 0.0000799400000000, -0.0005685900000000, 0.0002125400000000 ] - [ 0.0000142500000000, -0.0004556600000000, -0.0001028600000000 ] - [ -0.0002089200000000, 0.0005984300000000, -0.0005808200000000 ] - [ 0.0001735000000000, 0.0005952400000000, 0.0001940000000000 ] - [ 0.0001277200000000, -0.0004768100000000, -0.0000757500000000 ] - [ -0.0007207800000000, 0.0007248400000000, -0.0016403100000000 ] - [ 0.0009725000000000, 0.0010888600000000, -0.0016098500000000 ] - [ 0.0000602000000000, -0.0004333400000000, 0.0000857000000000 ] - [ -0.0004252800000000, -0.0002188900000000, 0.0001391100000000 ] - [ 0.0000484100000000, -0.0001130000000000, -0.0006755700000000 ] - [ 0.0003518400000000, 0.0001436900000000, 0.0000457700000000 ] - [ -0.0001995800000000, 0.0005983100000000, -0.0001059100000000 ] - [ 0.0002742100000000, -0.0006943300000000, 0.0000042300000000 ] - [ -0.0000252500000000, 0.0005185300000000, 0.0000199300000000 ] - [ 0.0000301300000000, 0.0003467300000000, -0.0000231500000000 ] - [ -0.0002411800000000, -0.0001716700000000, 0.0000828700000000 ] - [ -0.0003660100000000, -0.0001474900000000, 0.0000044900000000 ] - [ 0.0002675300000000, -0.0001254200000000, -0.0000985400000000 ] - [ 0.0003698600000000, 0.0001340500000000, 0.0003433200000000 ] - [ -0.0003658500000000, 0.0001492500000000, -0.0000463000000000 ]- atom: 41 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0006078200000000, -0.0000530600000000, 0.0002507500000000 ] - [ -0.0011055500000000, 0.0002745800000000, -0.0003114600000000 ] - [ -0.0008182500000000, -0.0000135400000000, -0.0002226800000000 ] - [ 0.0006244300000000, 0.0000676500000000, 0.0000261800000000 ] - [ -0.0002521200000000, -0.0001595700000000, 0.0007007000000000 ] - [ 0.0003431700000000, -0.0024745600000000, 0.0002487800000000 ] - [ 0.0001112100000000, 0.0003910200000000, -0.0003343800000000 ] - [ 0.0004088800000000, 0.0010641400000000, 0.0005634400000000 ] - [ 0.0005872900000000, -0.0003866400000000, 0.0002020900000000 ] - [ -0.0005928800000000, -0.0007027100000000, -0.0003684200000000 ] - [ -0.0005313700000000, 0.0003778200000000, -0.0005534000000000 ] - [ 0.0014835600000000, -0.0018533800000000, 0.0009790300000000 ] - [ 0.0007860400000000, -0.0001490100000000, 0.0002643800000000 ] - [ 0.0067666500000000, -0.0033614400000000, -0.0057979500000000 ] - [ -0.0004874400000000, 0.0001839100000000, -0.0003311000000000 ] - [ 0.0418061900000000, -0.0138923100000000, 0.0143329000000000 ] - [ -0.0001944400000000, 0.0000138400000000, 0.0003030600000000 ] - [ 0.0004279100000000, -0.0004172300000000, -0.0001660200000000 ] - [ -0.0000298500000000, 0.0003825400000000, -0.0006561600000000 ] - [ 0.0015112000000000, 0.0008204100000000, 0.0006004900000000 ] - [ 0.0005162900000000, -0.0005609600000000, 0.0003048800000000 ] - [ 0.0025987500000000, -0.0007078300000000, -0.0004244600000000 ] - [ -0.0004606600000000, 0.0004479500000000, -0.0001962000000000 ] - [ 0.0001035700000000, -0.0000336000000000, 0.0010669600000000 ] - [ -0.0003743300000000, 0.0002572600000000, 0.0002929800000000 ] - [ 0.0008141700000000, -0.0001146000000000, -0.0005338400000000 ] - [ 0.0003321100000000, -0.0002382800000000, -0.0003401700000000 ] - [ -0.0004148600000000, -0.0002851400000000, 0.0002587900000000 ] - [ 0.0002249700000000, -0.0002059500000000, -0.0002252900000000 ] - [ 0.0001545200000000, -0.0001273700000000, 0.0002767400000000 ] - [ 0.0001047500000000, 0.0001102600000000, 0.0000306900000000 ] - [ -0.0000940900000000, 0.0001662800000000, -0.0001748200000000 ] - [ -0.0002558900000000, 0.0004150200000000, 0.0005351800000000 ] - [ 0.0034502000000000, -0.0010940300000000, -0.0020865200000000 ] - [ 0.0004831500000000, -0.0005018400000000, -0.0003259000000000 ] - [ -0.0008950200000000, -0.0004495900000000, 0.0006939000000000 ] - [ -0.0002707000000000, -0.0000256100000000, 0.0002732200000000 ] - [ -0.0019340100000000, -0.0031685300000000, 0.0012068100000000 ] - [ 0.0000038300000000, -0.0000084700000000, -0.0002659100000000 ] - [ -0.0009658200000000, 0.0001937700000000, 0.0001435600000000 ] - [ -0.0917932800000000, 0.0349823100000000, 0.0156584400000000 ] - [ -0.0003294000000000, -0.0001229900000000, 0.0000091900000000 ] - [ 0.0231398400000000, -0.0116295700000000, -0.0285478900000000 ] - [ 0.0001203900000000, 0.0001203000000000, -0.0001658000000000 ] - [ 0.0000676400000000, -0.0006943900000000, 0.0000047200000000 ] - [ -0.0005400000000000, -0.0007013100000000, 0.0004453500000000 ] - [ -0.0012102700000000, 0.0002478800000000, -0.0010784600000000 ] - [ -0.0001559100000000, 0.0005796200000000, 0.0004156300000000 ] - [ -0.0002790000000000, 0.0002438900000000, 0.0003388500000000 ] - [ 0.0014532100000000, 0.0002755000000000, -0.0006521300000000 ] - [ 0.0004245200000000, -0.0002656300000000, -0.0002716900000000 ] - [ 0.0015077700000000, -0.0020071600000000, 0.0020752200000000 ] - [ -0.0000194800000000, -0.0002560700000000, -0.0000468200000000 ] - [ -0.0000265200000000, -0.0002340900000000, 0.0000492000000000 ] - [ 0.0060232300000000, 0.0006955500000000, -0.0000823100000000 ] - [ -0.0000920600000000, 0.0001401400000000, -0.0001357500000000 ] - [ -0.0003862800000000, 0.0004046400000000, 0.0004168100000000 ] - [ 0.0004632800000000, 0.0004787600000000, -0.0004276700000000 ] - [ 0.0004184000000000, -0.0004426200000000, -0.0004102300000000 ] - [ -0.0001074500000000, -0.0006751700000000, 0.0009126100000000 ] - [ -0.0000056400000000, 0.0000063900000000, 0.0002893900000000 ] - [ 0.0003991800000000, -0.0000186300000000, -0.0004364100000000 ] - [ 0.0003790600000000, -0.0000050600000000, -0.0001817100000000 ] - [ 0.0001169500000000, -0.0000302300000000, 0.0001128900000000 ] - [ 0.0005338000000000, -0.0002027500000000, -0.0000231300000000 ] - [ -0.0002092700000000, -0.0000396400000000, 0.0001824200000000 ] - [ -0.0000740800000000, 0.0000239200000000, 0.0002745800000000 ] - [ 0.0004520400000000, 0.0001118100000000, -0.0000647000000000 ] - [ 0.0000673200000000, -0.0002486800000000, 0.0008087100000000 ] - [ -0.0000247700000000, -0.0006188400000000, -0.0002307600000000 ] - [ 0.0000267800000000, 0.0008039900000000, -0.0001219000000000 ] - [ 0.0001122900000000, 0.0009059100000000, -0.0003388800000000 ] - [ 0.0003739900000000, -0.0006758800000000, -0.0000672200000000 ] - [ 0.0005436200000000, 0.0003179900000000, -0.0000668500000000 ] - [ 0.0003352200000000, 0.0005739900000000, -0.0002699700000000 ] - [ 0.0004208400000000, -0.0016168200000000, 0.0011360600000000 ] - [ 0.0027622500000000, 0.0023445900000000, -0.0010129600000000 ] - [ 0.0004644900000000, -0.0001488900000000, -0.0000964100000000 ] - [ 0.0023785900000000, 0.0032246000000000, 0.0015307400000000 ] - [ -0.0002069400000000, 0.0000974200000000, -0.0000671000000000 ] - [ -0.0003229500000000, -0.0005289700000000, -0.0000913200000000 ] - [ -0.0003377800000000, 0.0004725400000000, -0.0000513500000000 ] - [ -0.0002807300000000, 0.0003534200000000, 0.0000301000000000 ] - [ -0.0003027000000000, -0.0003536700000000, 0.0000640900000000 ] - [ -0.0006467500000000, -0.0002156500000000, -0.0000334100000000 ] - [ 0.0002099800000000, -0.0001260500000000, -0.0000175200000000 ] - [ 0.0001018400000000, 0.0001008500000000, 0.0000296900000000 ] - [ -0.0005186200000000, 0.0001715500000000, -0.0000351400000000 ]- atom: 41 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ 0.0008498400000000, -0.0000993500000000, 0.0002931000000000 ] - [ -0.0003179500000000, -0.0004209800000000, -0.0002121700000000 ] - [ -0.0006652500000000, 0.0001546900000000, -0.0002757700000000 ] - [ 0.0008445600000000, 0.0000733900000000, 0.0005034500000000 ] - [ -0.0001566500000000, -0.0003596000000000, 0.0005267100000000 ] - [ 0.0000341000000000, 0.0018906400000000, -0.0013760900000000 ] - [ 0.0003015200000000, 0.0001281200000000, -0.0008717400000000 ] - [ -0.0008331300000000, -0.0005266500000000, 0.0006109900000000 ] - [ 0.0005656600000000, -0.0006177900000000, 0.0006066500000000 ] - [ -0.0005904700000000, -0.0003444400000000, -0.0004401300000000 ] - [ -0.0006263600000000, 0.0006440100000000, -0.0002190100000000 ] - [ -0.0002742000000000, 0.0028444300000000, -0.0001699700000000 ] - [ 0.0006712700000000, 0.0000118500000000, 0.0002742700000000 ] - [ -0.0082281900000000, 0.0032525800000000, 0.0054300200000000 ] - [ -0.0009876100000000, -0.0000427200000000, -0.0001661000000000 ] - [ -0.0387667900000000, 0.0131316400000000, -0.0134046200000000 ] - [ -0.0002162600000000, -0.0005186900000000, 0.0009274100000000 ] - [ -0.0000372400000000, -0.0000973400000000, -0.0010267500000000 ] - [ 0.0004418900000000, 0.0001322800000000, -0.0005494600000000 ] - [ -0.0018839100000000, -0.0002550400000000, 0.0005489500000000 ] - [ 0.0006399400000000, -0.0004402500000000, 0.0005043400000000 ] - [ -0.0037047900000000, -0.0003400300000000, -0.0003854500000000 ] - [ -0.0006868200000000, 0.0005575500000000, -0.0005577000000000 ] - [ 0.0010600600000000, 0.0011067100000000, -0.0002651300000000 ] - [ -0.0003523800000000, 0.0002661500000000, 0.0002995000000000 ] - [ -0.0000231100000000, 0.0006536600000000, -0.0000866600000000 ] - [ 0.0004157400000000, -0.0002425800000000, -0.0002747800000000 ] - [ -0.0003337400000000, -0.0002557700000000, 0.0003329200000000 ] - [ -0.0003514200000000, -0.0000864600000000, -0.0001503500000000 ] - [ -0.0000082500000000, -0.0001629700000000, 0.0001579400000000 ] - [ 0.0000399100000000, 0.0001343200000000, 0.0003794600000000 ] - [ -0.0000634400000000, 0.0000866800000000, -0.0002515000000000 ] - [ -0.0005589100000000, 0.0004657600000000, 0.0002967000000000 ] - [ -0.0025416100000000, 0.0019796200000000, 0.0012129600000000 ] - [ 0.0002812500000000, -0.0003747600000000, -0.0005698300000000 ] - [ 0.0000634200000000, -0.0004341300000000, 0.0001801500000000 ] - [ -0.0000831000000000, -0.0000112800000000, 0.0002574300000000 ] - [ 0.0022246600000000, 0.0031519800000000, -0.0016737300000000 ] - [ 0.0003695700000000, 0.0000512300000000, -0.0002427900000000 ] - [ 0.0006177900000000, -0.0001515200000000, 0.0003590100000000 ] - [ 0.0911789800000000, -0.0343644500000000, -0.0174796900000000 ] - [ -0.0003076900000000, -0.0000297900000000, 0.0002228200000000 ] - [ -0.0241586600000000, 0.0121592700000000, 0.0297150100000000 ] - [ 0.0004965200000000, 0.0000229800000000, -0.0000714900000000 ] - [ 0.0002439000000000, -0.0005417800000000, 0.0003788800000000 ] - [ 0.0002570500000000, -0.0005278800000000, -0.0008440100000000 ] - [ 0.0008932200000000, 0.0009356700000000, 0.0006357700000000 ] - [ 0.0004528100000000, 0.0006635700000000, -0.0000262600000000 ] - [ -0.0004410100000000, 0.0002762800000000, 0.0002625500000000 ] - [ -0.0007471100000000, 0.0002712400000000, -0.0000013100000000 ] - [ 0.0003478200000000, -0.0002233900000000, -0.0003477200000000 ] - [ -0.0022792200000000, 0.0014392300000000, -0.0014692500000000 ] - [ -0.0001253200000000, -0.0000255100000000, -0.0003423400000000 ] - [ 0.0001728700000000, -0.0000762300000000, 0.0003874800000000 ] - [ -0.0057664000000000, -0.0004588700000000, 0.0004659700000000 ] - [ -0.0000483000000000, 0.0001313300000000, -0.0002710200000000 ] - [ -0.0004285800000000, 0.0004690400000000, 0.0004286800000000 ] - [ 0.0003408800000000, 0.0004383500000000, -0.0004451100000000 ] - [ 0.0003461900000000, -0.0004544300000000, -0.0005008500000000 ] - [ -0.0006884400000000, -0.0002437100000000, -0.0000331800000000 ] - [ -0.0003298300000000, -0.0000620200000000, 0.0002498500000000 ] - [ -0.0000567700000000, -0.0000024600000000, -0.0000395200000000 ] - [ -0.0000398900000000, 0.0000457000000000, -0.0003120000000000 ] - [ -0.0004787600000000, 0.0000514900000000, 0.0003664500000000 ] - [ 0.0001039000000000, 0.0000469900000000, -0.0002127300000000 ] - [ -0.0004202900000000, -0.0001061000000000, 0.0000527000000000 ] - [ -0.0005477800000000, 0.0001271700000000, -0.0000341500000000 ] - [ 0.0001665700000000, 0.0000318400000000, -0.0001738300000000 ] - [ 0.0002571300000000, -0.0009748400000000, -0.0004380800000000 ] - [ -0.0002776300000000, -0.0005829700000000, -0.0001882400000000 ] - [ -0.0003388700000000, 0.0003940900000000, -0.0003092600000000 ] - [ 0.0001715500000000, 0.0003182800000000, 0.0007521500000000 ] - [ -0.0003759100000000, -0.0003403800000000, 0.0000669100000000 ] - [ -0.0005628400000000, 0.0006823700000000, 0.0000603700000000 ] - [ -0.0003353700000000, 0.0001285000000000, 0.0002593900000000 ] - [ -0.0004220100000000, 0.0009062800000000, -0.0011183700000000 ] - [ -0.0036226500000000, -0.0027525400000000, 0.0010594200000000 ] - [ 0.0002875200000000, -0.0001458300000000, 0.0000995000000000 ] - [ -0.0016308700000000, -0.0028787000000000, -0.0014944000000000 ] - [ -0.0005448400000000, 0.0002011800000000, 0.0000605600000000 ] - [ 0.0003318200000000, -0.0004837700000000, 0.0000928000000000 ] - [ 0.0003331200000000, 0.0005389100000000, 0.0000496400000000 ] - [ 0.0002991200000000, 0.0003427500000000, -0.0000383500000000 ] - [ 0.0002974500000000, -0.0003437700000000, -0.0000595200000000 ] - [ -0.0000905200000000, -0.0000825200000000, 0.0000226800000000 ] - [ 0.0005419600000000, -0.0001719500000000, 0.0000229100000000 ] - [ 0.0006472300000000, 0.0001920900000000, -0.0000243700000000 ] - [ -0.0002317200000000, 0.0001243300000000, 0.0000303300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008220500000000, -0.0001112700000000, 0.0002818500000000 ] - [ -0.0004279900000000, -0.0001000800000000, -0.0004541300000000 ] - [ -0.0006953400000000, 0.0001346900000000, -0.0002975300000000 ] - [ 0.0006061500000000, -0.0000494200000000, 0.0005310000000000 ] - [ -0.0001856400000000, -0.0002989100000000, 0.0005784200000000 ] - [ -0.0005879700000000, 0.0018039500000000, -0.0006817900000000 ] - [ -0.0000749400000000, 0.0005574400000000, -0.0002655300000000 ] - [ -0.0002550100000000, -0.0005097900000000, 0.0006602800000000 ] - [ 0.0005344700000000, -0.0007841300000000, 0.0004600100000000 ] - [ -0.0010253200000000, -0.0006273900000000, -0.0004261600000000 ] - [ -0.0006037800000000, 0.0002958200000000, -0.0003021600000000 ] - [ 0.0008586500000000, 0.0010549700000000, -0.0009735600000000 ] - [ 0.0006450800000000, -0.0000922700000000, 0.0001583300000000 ] - [ -0.0044221100000000, 0.0024991000000000, 0.0035474300000000 ] - [ -0.0005285900000000, 0.0002088700000000, -0.0002900400000000 ] - [ -0.0119068100000000, 0.0252716000000000, -0.0105427700000000 ] - [ -0.0004417800000000, -0.0004074800000000, 0.0008588600000000 ] - [ 0.0005731200000000, 0.0001211800000000, -0.0004064500000000 ] - [ -0.0000176800000000, 0.0002888100000000, -0.0004423800000000 ] - [ -0.0023707300000000, -0.0005786600000000, 0.0006868400000000 ] - [ 0.0004687700000000, -0.0003813200000000, 0.0004223900000000 ] - [ -0.0024976400000000, -0.0015851000000000, -0.0000451200000000 ] - [ -0.0006365000000000, 0.0005250100000000, -0.0004020800000000 ] - [ 0.0007823700000000, 0.0011455400000000, -0.0000638200000000 ] - [ -0.0003533400000000, 0.0002679600000000, 0.0002707600000000 ] - [ 0.0000005300000000, 0.0003856400000000, -0.0000226100000000 ] - [ 0.0004169600000000, -0.0002592400000000, -0.0003060500000000 ] - [ -0.0003829100000000, -0.0003863000000000, 0.0003060200000000 ] - [ 0.0001499500000000, -0.0001767600000000, -0.0000285800000000 ] - [ 0.0000517100000000, -0.0000699400000000, 0.0002246500000000 ] - [ 0.0001941900000000, 0.0003460900000000, 0.0001904100000000 ] - [ -0.0000051400000000, 0.0000434700000000, -0.0002331700000000 ] - [ -0.0001809800000000, 0.0004139300000000, 0.0005601300000000 ] - [ -0.0007183000000000, 0.0012050500000000, 0.0005656800000000 ] - [ 0.0004157100000000, -0.0004784500000000, -0.0002786400000000 ] - [ -0.0010616400000000, -0.0006418300000000, 0.0003396200000000 ] - [ -0.0001480500000000, -0.0000323100000000, 0.0002629300000000 ] - [ -0.0039342000000000, 0.0051143700000000, -0.0025584700000000 ] - [ 0.0003812300000000, 0.0000452400000000, -0.0003438000000000 ] - [ 0.0002629000000000, -0.0003559800000000, -0.0000785000000000 ] - [ 0.0347933200000000, -0.0498967500000000, -0.0023635700000000 ] - [ -0.0002773400000000, -0.0002091600000000, 0.0000662400000000 ] - [ -0.0122587400000000, 0.0075868600000000, 0.0153129100000000 ] - [ 0.0002612600000000, 0.0000693900000000, -0.0001053800000000 ] - [ 0.0003822500000000, -0.0003533100000000, 0.0000927500000000 ] - [ -0.0001344200000000, -0.0004702100000000, -0.0005461400000000 ] - [ 0.0002388600000000, 0.0009861200000000, -0.0003393300000000 ] - [ 0.0001149100000000, 0.0009194900000000, 0.0000713900000000 ] - [ -0.0004141100000000, 0.0002682500000000, 0.0003775300000000 ] - [ 0.0002529600000000, 0.0001371200000000, -0.0005405300000000 ] - [ 0.0005254500000000, -0.0002853500000000, -0.0003775200000000 ] - [ -0.0018525900000000, -0.0002060300000000, 0.0006372700000000 ] - [ 0.0003396000000000, 0.0001664100000000, -0.0000509100000000 ] - [ 0.0001562400000000, -0.0001120200000000, 0.0002860100000000 ] - [ -0.0002511300000000, -0.0035141800000000, 0.0003889600000000 ] - [ -0.0000648000000000, 0.0001509300000000, -0.0002685300000000 ] - [ -0.0004092200000000, 0.0003918100000000, 0.0004865500000000 ] - [ 0.0004260600000000, 0.0004229200000000, -0.0003868000000000 ] - [ 0.0003569300000000, -0.0004604500000000, -0.0005023600000000 ] - [ -0.0010223500000000, -0.0005337500000000, -0.0000165600000000 ] - [ -0.0002157600000000, -0.0001000200000000, 0.0003214000000000 ] - [ -0.0000739900000000, 0.0000237900000000, -0.0002254500000000 ] - [ 0.0002702300000000, 0.0000460500000000, -0.0002483300000000 ] - [ -0.0002594900000000, 0.0001324300000000, 0.0003537100000000 ] - [ 0.0002019300000000, -0.0000299000000000, -0.0001773800000000 ] - [ -0.0003530600000000, -0.0000534200000000, 0.0001027100000000 ] - [ -0.0003689200000000, 0.0000402500000000, 0.0000747700000000 ] - [ 0.0002743300000000, 0.0000707900000000, -0.0001322200000000 ] - [ 0.0002964300000000, -0.0011200800000000, -0.0004321700000000 ] - [ -0.0003538300000000, -0.0005694300000000, -0.0001954100000000 ] - [ -0.0001529300000000, 0.0003625600000000, -0.0004240800000000 ] - [ 0.0005202500000000, 0.0000095300000000, 0.0007529700000000 ] - [ -0.0000943500000000, -0.0008362900000000, -0.0001335300000000 ] - [ 0.0001405200000000, 0.0001281100000000, -0.0004912400000000 ] - [ 0.0002456300000000, 0.0001237900000000, 0.0002254900000000 ] - [ -0.0012264900000000, 0.0050739400000000, -0.0046957600000000 ] - [ 0.0026908100000000, 0.0025118100000000, -0.0011419100000000 ] - [ 0.0003866100000000, -0.0001544700000000, 0.0000898200000000 ] - [ 0.0028471500000000, 0.0052004500000000, 0.0025220000000000 ] - [ -0.0003460500000000, 0.0001606600000000, 0.0000907700000000 ] - [ 0.0001371000000000, -0.0004832500000000, 0.0000279700000000 ] - [ 0.0001228600000000, 0.0005322700000000, 0.0000294700000000 ] - [ 0.0001183000000000, 0.0003611400000000, -0.0000239800000000 ] - [ 0.0001102400000000, -0.0003451000000000, -0.0000046900000000 ] - [ -0.0002686100000000, -0.0000500100000000, 0.0000320400000000 ] - [ 0.0004303000000000, -0.0001609400000000, 0.0000195200000000 ] - [ 0.0004196800000000, 0.0001441700000000, -0.0000313500000000 ] - [ -0.0003634400000000, 0.0001209600000000, 0.0000305700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006211400000000, -0.0000549700000000, 0.0002643500000000 ] - [ -0.0009916900000000, -0.0000620800000000, -0.0000609300000000 ] - [ -0.0007803100000000, 0.0000200000000000, -0.0001952500000000 ] - [ 0.0008533100000000, 0.0002006600000000, -0.0000009600000000 ] - [ -0.0002112200000000, -0.0002345800000000, 0.0006349100000000 ] - [ 0.0010062400000000, -0.0023469500000000, -0.0004722600000000 ] - [ 0.0004848700000000, -0.0000307000000000, -0.0009326300000000 ] - [ -0.0001598600000000, 0.0010526800000000, 0.0005279700000000 ] - [ 0.0006111700000000, -0.0002023500000000, 0.0003424900000000 ] - [ -0.0001515800000000, -0.0004029700000000, -0.0003741000000000 ] - [ -0.0005516300000000, 0.0007145700000000, -0.0004605000000000 ] - [ 0.0002939800000000, 0.0000041700000000, 0.0017770200000000 ] - [ 0.0007934300000000, -0.0000526800000000, 0.0003825000000000 ] - [ 0.0029648700000000, -0.0026848700000000, -0.0039818600000000 ] - [ -0.0009212600000000, -0.0000583300000000, -0.0001990600000000 ] - [ 0.0137508000000000, -0.0253753800000000, 0.0111376400000000 ] - [ 0.0000320300000000, -0.0001067800000000, 0.0003611600000000 ] - [ -0.0001853800000000, -0.0006313400000000, -0.0007764000000000 ] - [ 0.0004242400000000, 0.0002297500000000, -0.0007416500000000 ] - [ 0.0020143200000000, 0.0011425200000000, 0.0004673800000000 ] - [ 0.0006814800000000, -0.0006021400000000, 0.0003802500000000 ] - [ 0.0013478300000000, 0.0005682700000000, -0.0007739500000000 ] - [ -0.0005058800000000, 0.0004687700000000, -0.0003404200000000 ] - [ 0.0003789000000000, -0.0000883400000000, 0.0008674500000000 ] - [ -0.0003647900000000, 0.0002649600000000, 0.0003119500000000 ] - [ 0.0007811300000000, 0.0001626700000000, -0.0005933900000000 ] - [ 0.0003275800000000, -0.0002234900000000, -0.0003019800000000 ] - [ -0.0003573200000000, -0.0001606900000000, 0.0002747300000000 ] - [ -0.0002761500000000, -0.0001122600000000, -0.0003529100000000 ] - [ 0.0000956800000000, -0.0002225700000000, 0.0002110500000000 ] - [ -0.0000496000000000, -0.0001042400000000, 0.0002229700000000 ] - [ -0.0001519800000000, 0.0002060400000000, -0.0001920100000000 ] - [ -0.0006418200000000, 0.0004688200000000, 0.0002557400000000 ] - [ 0.0015538300000000, -0.0002997700000000, -0.0014097500000000 ] - [ 0.0003477700000000, -0.0003988200000000, -0.0006134200000000 ] - [ 0.0002277300000000, -0.0002381700000000, 0.0005286400000000 ] - [ -0.0002199600000000, 0.0000036300000000, 0.0002673500000000 ] - [ 0.0043875600000000, -0.0051959200000000, 0.0021053200000000 ] - [ 0.0000121100000000, -0.0000110300000000, -0.0001610200000000 ] - [ -0.0006199300000000, 0.0003948600000000, 0.0005896600000000 ] - [ -0.0345400600000000, 0.0498985400000000, 0.0020389300000000 ] - [ -0.0003688200000000, 0.0000540100000000, 0.0001626400000000 ] - [ 0.0115140300000000, -0.0075232600000000, -0.0151809700000000 ] - [ 0.0003595600000000, 0.0000716100000000, -0.0001368900000000 ] - [ -0.0000678300000000, -0.0008822600000000, 0.0002843600000000 ] - [ -0.0001578900000000, -0.0007478400000000, 0.0001505200000000 ] - [ -0.0005201200000000, 0.0002059500000000, -0.0000988800000000 ] - [ 0.0001794400000000, 0.0003239800000000, 0.0003150900000000 ] - [ -0.0003088600000000, 0.0002642800000000, 0.0002230200000000 ] - [ 0.0005065600000000, 0.0003785000000000, -0.0000987100000000 ] - [ 0.0002552700000000, -0.0002075300000000, -0.0002392400000000 ] - [ 0.0010876000000000, -0.0003165100000000, -0.0000698800000000 ] - [ -0.0004869500000000, -0.0004477300000000, -0.0003418000000000 ] - [ -0.0000107000000000, -0.0002043300000000, 0.0001532000000000 ] - [ 0.0003589100000000, 0.0037730000000000, 0.0000006100000000 ] - [ -0.0000713800000000, 0.0001264200000000, -0.0001316800000000 ] - [ -0.0004138200000000, 0.0004839600000000, 0.0003484000000000 ] - [ 0.0003835400000000, 0.0004903400000000, -0.0004787400000000 ] - [ 0.0004086400000000, -0.0004409900000000, -0.0004135700000000 ] - [ 0.0002229400000000, -0.0003737100000000, 0.0008862100000000 ] - [ -0.0001275700000000, 0.0000517500000000, 0.0002202200000000 ] - [ 0.0004302100000000, -0.0000371200000000, -0.0002547300000000 ] - [ 0.0000786000000000, -0.0000133400000000, -0.0002388800000000 ] - [ -0.0001192000000000, -0.0001148700000000, 0.0001272100000000 ] - [ 0.0004488800000000, -0.0001237500000000, -0.0000561500000000 ] - [ -0.0002844100000000, -0.0000918200000000, 0.0001312500000000 ] - [ -0.0002624800000000, 0.0001070200000000, 0.0001659800000000 ] - [ 0.0003523200000000, 0.0000709300000000, -0.0001044900000000 ] - [ 0.0000337100000000, -0.0001102700000000, 0.0007879700000000 ] - [ 0.0000470900000000, -0.0006203900000000, -0.0002285300000000 ] - [ -0.0001549100000000, 0.0008341100000000, -0.0000106100000000 ] - [ -0.0002439400000000, 0.0012141900000000, -0.0003335500000000 ] - [ 0.0000968300000000, -0.0001757800000000, 0.0001340400000000 ] - [ -0.0001603300000000, 0.0008682500000000, 0.0004820800000000 ] - [ -0.0002389200000000, 0.0005731000000000, -0.0002359400000000 ] - [ 0.0011743400000000, -0.0056521600000000, 0.0045540900000000 ] - [ -0.0035584400000000, -0.0028784400000000, 0.0011674100000000 ] - [ 0.0003691700000000, -0.0001393200000000, -0.0000891800000000 ] - [ -0.0019734700000000, -0.0046954000000000, -0.0023862000000000 ] - [ -0.0004068900000000, 0.0001360900000000, -0.0000923300000000 ] - [ -0.0001297400000000, -0.0005271200000000, -0.0000270000000000 ] - [ -0.0001271200000000, 0.0004766900000000, -0.0000324500000000 ] - [ -0.0001017700000000, 0.0003325900000000, 0.0000170300000000 ] - [ -0.0001146200000000, -0.0003499000000000, 0.0000079600000000 ] - [ -0.0004753500000000, -0.0002470200000000, -0.0000390300000000 ] - [ 0.0003247200000000, -0.0001362700000000, -0.0000167700000000 ] - [ 0.0003329500000000, 0.0001472300000000, 0.0000348700000000 ] - [ -0.0003913700000000, 0.0001736300000000, -0.0000329900000000 ]- atom: 41 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0006761600000000, -0.0000924200000000, 0.0002866300000000 ] - [ -0.0010584800000000, -0.0000531900000000, 0.0002191500000000 ] - [ -0.0008955600000000, 0.0001081200000000, -0.0002665700000000 ] - [ 0.0006095400000000, 0.0000575400000000, -0.0000334200000000 ] - [ -0.0002148300000000, -0.0001443600000000, 0.0007191300000000 ] - [ -0.0007237300000000, -0.0006451000000000, -0.0006603100000000 ] - [ 0.0002387300000000, 0.0003544000000000, -0.0005874300000000 ] - [ 0.0002549200000000, 0.0000736700000000, 0.0006115000000000 ] - [ 0.0007631100000000, -0.0006086900000000, 0.0004988600000000 ] - [ -0.0011598600000000, -0.0005523600000000, -0.0000678800000000 ] - [ -0.0005294700000000, 0.0004521900000000, -0.0005589900000000 ] - [ 0.0024842100000000, -0.0000255100000000, -0.0001010700000000 ] - [ 0.0005789600000000, -0.0001304700000000, 0.0001618200000000 ] - [ -0.0030275800000000, 0.0015135700000000, -0.0025557400000000 ] - [ -0.0007185100000000, 0.0001640300000000, -0.0003185000000000 ] - [ 0.0080688900000000, -0.0065604400000000, 0.0248210400000000 ] - [ -0.0002658700000000, -0.0002729300000000, 0.0007749900000000 ] - [ -0.0001727500000000, 0.0003777800000000, -0.0005668800000000 ] - [ -0.0000432600000000, 0.0004920000000000, -0.0006797400000000 ] - [ 0.0014368800000000, -0.0009254300000000, -0.0001697400000000 ] - [ 0.0007004000000000, -0.0005988900000000, 0.0004462200000000 ] - [ 0.0002582100000000, 0.0003897100000000, -0.0013286100000000 ] - [ -0.0001106500000000, 0.0003615600000000, -0.0002212400000000 ] - [ 0.0004472500000000, 0.0002068000000000, 0.0003209600000000 ] - [ -0.0003669500000000, 0.0002535300000000, 0.0002831000000000 ] - [ 0.0003922900000000, 0.0002543900000000, -0.0003081000000000 ] - [ 0.0003648600000000, -0.0002296300000000, -0.0003195800000000 ] - [ -0.0001624900000000, -0.0003926700000000, 0.0001611500000000 ] - [ -0.0001693500000000, -0.0000850500000000, 0.0000071700000000 ] - [ 0.0000962000000000, -0.0001319400000000, 0.0002966000000000 ] - [ 0.0002599700000000, 0.0000654300000000, 0.0000902500000000 ] - [ -0.0000082100000000, 0.0000845700000000, -0.0002492800000000 ] - [ -0.0001042800000000, 0.0003550700000000, 0.0006484100000000 ] - [ -0.0025262500000000, 0.0020855200000000, -0.0005518000000000 ] - [ 0.0003367000000000, -0.0004275400000000, -0.0005284300000000 ] - [ 0.0000862500000000, -0.0010917600000000, -0.0002814600000000 ] - [ -0.0001959200000000, -0.0000197300000000, 0.0002594100000000 ] - [ 0.0011236400000000, -0.0026720000000000, 0.0001721100000000 ] - [ 0.0000182800000000, 0.0000030500000000, -0.0002572200000000 ] - [ 0.0002723200000000, 0.0000910700000000, -0.0001949200000000 ] - [ 0.0200986900000000, -0.0037680300000000, -0.1139109100000000 ] - [ -0.0004345500000000, -0.0000299900000000, 0.0001644100000000 ] - [ -0.0309675800000000, 0.0161773000000000, 0.0901952700000000 ] - [ 0.0002716100000000, 0.0000550400000000, -0.0000299700000000 ] - [ 0.0001958200000000, -0.0005060700000000, 0.0000032000000000 ] - [ 0.0005373600000000, -0.0006405600000000, -0.0005683200000000 ] - [ -0.0010933600000000, -0.0000163100000000, -0.0006998800000000 ] - [ 0.0001209300000000, 0.0004684200000000, 0.0004335600000000 ] - [ -0.0005374000000000, 0.0002172500000000, 0.0005111700000000 ] - [ 0.0010556700000000, -0.0001434400000000, -0.0007412000000000 ] - [ 0.0003208000000000, -0.0002317800000000, -0.0002464800000000 ] - [ 0.0017152200000000, -0.0015840200000000, 0.0010221800000000 ] - [ -0.0001043200000000, -0.0002428800000000, -0.0002209500000000 ] - [ 0.0000509000000000, -0.0001199200000000, 0.0000571300000000 ] - [ 0.0007621700000000, 0.0014857600000000, -0.0006545300000000 ] - [ -0.0000888900000000, 0.0001333400000000, -0.0002429600000000 ] - [ -0.0003872300000000, 0.0004061200000000, 0.0003488000000000 ] - [ 0.0004228800000000, 0.0005166600000000, -0.0004369400000000 ] - [ 0.0004049600000000, -0.0004523700000000, -0.0004418700000000 ] - [ -0.0004447800000000, -0.0004976300000000, 0.0005734600000000 ] - [ -0.0001685100000000, -0.0000544100000000, 0.0002842200000000 ] - [ 0.0004757900000000, -0.0000619200000000, -0.0003869800000000 ] - [ 0.0002632300000000, -0.0000167500000000, -0.0001469400000000 ] - [ -0.0003322600000000, 0.0001456800000000, 0.0004693900000000 ] - [ 0.0004187600000000, -0.0001377500000000, 0.0001209100000000 ] - [ -0.0002584400000000, -0.0000604500000000, 0.0001774200000000 ] - [ -0.0001679500000000, 0.0000305600000000, -0.0001508000000000 ] - [ 0.0003696700000000, 0.0000857300000000, -0.0001138500000000 ] - [ 0.0002068600000000, -0.0009103600000000, -0.0000615100000000 ] - [ -0.0000904800000000, -0.0006041000000000, -0.0002684900000000 ] - [ -0.0000941400000000, 0.0006967000000000, -0.0000263400000000 ] - [ -0.0002997800000000, 0.0014420000000000, -0.0003769900000000 ] - [ 0.0000486200000000, -0.0006374500000000, 0.0000191900000000 ] - [ 0.0004277800000000, 0.0001557800000000, -0.0001694200000000 ] - [ -0.0001708700000000, 0.0006533600000000, 0.0004272600000000 ] - [ 0.0009860900000000, -0.0054180400000000, 0.0037010600000000 ] - [ -0.0015367300000000, -0.0008071600000000, 0.0004918200000000 ] - [ 0.0005209300000000, -0.0001503800000000, 0.0001716100000000 ] - [ 0.0017664100000000, 0.0022560500000000, 0.0009784200000000 ] - [ -0.0003553000000000, 0.0001038600000000, -0.0001809200000000 ] - [ -0.0000824100000000, -0.0005205000000000, -0.0000387700000000 ] - [ -0.0001869700000000, 0.0004692800000000, -0.0000302300000000 ] - [ -0.0000673600000000, 0.0003541700000000, 0.0000124400000000 ] - [ -0.0002086000000000, -0.0003245300000000, 0.0000396200000000 ] - [ -0.0004813200000000, -0.0001572800000000, -0.0000939500000000 ] - [ 0.0003068800000000, -0.0001467200000000, -0.0000180200000000 ] - [ 0.0002457400000000, 0.0001306500000000, 0.0000212100000000 ] - [ -0.0004483400000000, 0.0001732000000000, 0.0000618800000000 ]- atom: 41 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0007704200000000, -0.0000696200000000, 0.0002562300000000 ] - [ -0.0003631400000000, -0.0001049000000000, -0.0007326900000000 ] - [ -0.0005892300000000, 0.0000410200000000, -0.0002341800000000 ] - [ 0.0008520000000000, 0.0000906400000000, 0.0005569600000000 ] - [ -0.0001858600000000, -0.0003824500000000, 0.0005011000000000 ] - [ 0.0011035700000000, 0.0001374600000000, -0.0005139700000000 ] - [ 0.0001695900000000, 0.0001666800000000, -0.0006140000000000 ] - [ -0.0006651800000000, 0.0004748800000000, 0.0005696000000000 ] - [ 0.0003877500000000, -0.0003827600000000, 0.0003033600000000 ] - [ -0.0000097800000000, -0.0004837500000000, -0.0007303300000000 ] - [ -0.0006298400000000, 0.0005657400000000, -0.0002109600000000 ] - [ -0.0013036800000000, 0.0010910800000000, 0.0008859800000000 ] - [ 0.0008725800000000, -0.0000114800000000, 0.0003787000000000 ] - [ 0.0016028300000000, -0.0016900900000000, 0.0020554800000000 ] - [ -0.0007364400000000, -0.0000192700000000, -0.0001740100000000 ] - [ -0.0066929200000000, 0.0067821500000000, -0.0242591300000000 ] - [ -0.0001457000000000, -0.0002400300000000, 0.0004523800000000 ] - [ 0.0005674100000000, -0.0009032200000000, -0.0006100600000000 ] - [ 0.0004550700000000, 0.0000226100000000, -0.0005152600000000 ] - [ -0.0018143200000000, 0.0014723900000000, 0.0013195200000000 ] - [ 0.0004541800000000, -0.0003919300000000, 0.0003561100000000 ] - [ -0.0014712800000000, -0.0014414900000000, 0.0004883800000000 ] - [ -0.0010332000000000, 0.0006303900000000, -0.0005321000000000 ] - [ 0.0007059200000000, 0.0008452700000000, 0.0004871300000000 ] - [ -0.0003548400000000, 0.0002735500000000, 0.0003032000000000 ] - [ 0.0003878800000000, 0.0002868900000000, -0.0003088500000000 ] - [ 0.0003826200000000, -0.0002497200000000, -0.0002910800000000 ] - [ -0.0005802100000000, -0.0001494900000000, 0.0004232900000000 ] - [ 0.0000387200000000, -0.0002102400000000, -0.0003856700000000 ] - [ 0.0000522700000000, -0.0001607100000000, 0.0001377800000000 ] - [ -0.0001116700000000, 0.0001776100000000, 0.0003220500000000 ] - [ -0.0001474400000000, 0.0001637900000000, -0.0001775800000000 ] - [ -0.0007202200000000, 0.0005282500000000, 0.0001729000000000 ] - [ 0.0033598100000000, -0.0011790000000000, -0.0003607400000000 ] - [ 0.0004253700000000, -0.0004507800000000, -0.0003692400000000 ] - [ -0.0009236300000000, 0.0002105300000000, 0.0011576300000000 ] - [ -0.0001697900000000, -0.0000105600000000, 0.0002696200000000 ] - [ -0.0007658500000000, 0.0026518700000000, -0.0006585100000000 ] - [ 0.0003672700000000, 0.0000339300000000, -0.0002494900000000 ] - [ -0.0006248700000000, -0.0000412500000000, 0.0006895600000000 ] - [ -0.0174768600000000, 0.0023679000000000, 0.1109492600000000 ] - [ -0.0002101700000000, -0.0001224300000000, 0.0000639100000000 ] - [ 0.0283979600000000, -0.0149163700000000, -0.0871139100000000 ] - [ 0.0003441900000000, 0.0000842200000000, -0.0002113100000000 ] - [ 0.0001177600000000, -0.0007315500000000, 0.0003660900000000 ] - [ -0.0008246900000000, -0.0005835300000000, 0.0001733900000000 ] - [ 0.0007937800000000, 0.0012022000000000, 0.0002679600000000 ] - [ 0.0001620300000000, 0.0007749400000000, -0.0000439300000000 ] - [ -0.0001796300000000, 0.0003091000000000, 0.0000806700000000 ] - [ -0.0002787100000000, 0.0006695800000000, 0.0001344400000000 ] - [ 0.0004611100000000, -0.0002590000000000, -0.0003711500000000 ] - [ -0.0024493600000000, 0.0010360600000000, -0.0004101700000000 ] - [ -0.0000564500000000, -0.0000449900000000, -0.0001699600000000 ] - [ 0.0000940000000000, -0.0001938700000000, 0.0003807200000000 ] - [ -0.0006315900000000, -0.0012496600000000, 0.0010551000000000 ] - [ -0.0000466900000000, 0.0001425300000000, -0.0001562000000000 ] - [ -0.0004321300000000, 0.0004707900000000, 0.0004916600000000 ] - [ 0.0003857400000000, 0.0003995900000000, -0.0004309300000000 ] - [ 0.0003612500000000, -0.0004504600000000, -0.0004726400000000 ] - [ -0.0003569800000000, -0.0004133200000000, 0.0002967200000000 ] - [ -0.0001696600000000, 0.0000045400000000, 0.0002552100000000 ] - [ -0.0001193500000000, 0.0000463500000000, -0.0000924000000000 ] - [ 0.0000806900000000, 0.0000513800000000, -0.0003412600000000 ] - [ -0.0000346300000000, -0.0001238600000000, 0.0000164800000000 ] - [ 0.0002302100000000, -0.0000167900000000, -0.0003513300000000 ] - [ -0.0003745800000000, -0.0000825300000000, 0.0000563600000000 ] - [ -0.0004570600000000, 0.0001143500000000, 0.0003882000000000 ] - [ 0.0002568300000000, 0.0000546200000000, -0.0001211300000000 ] - [ 0.0001274800000000, -0.0003233200000000, 0.0004113500000000 ] - [ -0.0002141700000000, -0.0005860400000000, -0.0001536100000000 ] - [ -0.0002117500000000, 0.0005035200000000, -0.0003982600000000 ] - [ 0.0005717600000000, -0.0002139200000000, 0.0007849100000000 ] - [ -0.0000439800000000, -0.0003758000000000, -0.0000155400000000 ] - [ -0.0004371200000000, 0.0008580100000000, 0.0001653600000000 ] - [ 0.0001761100000000, 0.0000407600000000, -0.0004238000000000 ] - [ -0.0010161200000000, 0.0048543500000000, -0.0037747300000000 ] - [ 0.0007983300000000, 0.0005233900000000, -0.0005114000000000 ] - [ 0.0002371000000000, -0.0001444200000000, -0.0001663600000000 ] - [ -0.0010145100000000, -0.0019530600000000, -0.0009844100000000 ] - [ -0.0003944300000000, 0.0001924600000000, 0.0001793700000000 ] - [ 0.0000870200000000, -0.0004905100000000, 0.0000395700000000 ] - [ 0.0001772800000000, 0.0005396600000000, 0.0000263500000000 ] - [ 0.0000795000000000, 0.0003394200000000, -0.0000183400000000 ] - [ 0.0001997100000000, -0.0003709600000000, -0.0000345700000000 ] - [ -0.0002634200000000, -0.0001399500000000, 0.0000858300000000 ] - [ 0.0004451000000000, -0.0001502900000000, 0.0000201200000000 ] - [ 0.0005009700000000, 0.0001609200000000, -0.0000178500000000 ] - [ -0.0003080100000000, 0.0001219800000000, -0.0000629700000000 ]- atom: 45 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0003010200000000, -0.0007461800000000, 0.0005773500000000 ] - [ -0.0006885700000000, -0.0001230100000000, -0.0004546500000000 ] - [ -0.0007645200000000, 0.0000513000000000, -0.0002289900000000 ] - [ 0.0003582900000000, 0.0002167200000000, 0.0009506500000000 ] - [ 0.0278271800000000, 0.0011381600000000, -0.0105133400000000 ] - [ -0.0001725700000000, -0.0004903500000000, -0.0003502200000000 ] - [ 0.0000671900000000, 0.0002588600000000, -0.0006524800000000 ] - [ -0.0001617500000000, 0.0014514000000000, 0.0023408300000000 ] - [ 0.0005087700000000, -0.0001578100000000, -0.0000039800000000 ] - [ 0.0252474700000000, 0.0104692000000000, 0.0005380500000000 ] - [ -0.0012769300000000, 0.0004837300000000, -0.0025359600000000 ] - [ 0.0003157800000000, 0.0009659900000000, 0.0007954100000000 ] - [ 0.0006433700000000, -0.0000568400000000, 0.0003827100000000 ] - [ -0.0009960700000000, 0.0021503400000000, 0.0015240400000000 ] - [ -0.0016188600000000, -0.0015816100000000, -0.0023529800000000 ] - [ 0.0007070800000000, -0.0003576100000000, 0.0003202800000000 ] - [ -0.0004718500000000, -0.0002510300000000, 0.0005361700000000 ] - [ 0.0000346400000000, -0.0002198100000000, -0.0010084500000000 ] - [ 0.0008536200000000, 0.0006360000000000, -0.0006417600000000 ] - [ -0.0001309900000000, 0.0002638500000000, 0.0005748300000000 ] - [ 0.0007093300000000, -0.0012883900000000, -0.0004292800000000 ] - [ -0.0006672700000000, -0.0004399600000000, -0.0004561100000000 ] - [ -0.0005098400000000, 0.0004603200000000, -0.0003884100000000 ] - [ 0.0005927100000000, 0.0005419200000000, 0.0002133000000000 ] - [ -0.0003148900000000, 0.0003068100000000, 0.0000071300000000 ] - [ 0.0006404200000000, 0.0002586400000000, -0.0004003900000000 ] - [ 0.0003570200000000, -0.0002567600000000, -0.0003020600000000 ] - [ 0.0015334400000000, 0.0025669600000000, 0.0015344400000000 ] - [ -0.0000497700000000, -0.0001014200000000, -0.0001937800000000 ] - [ 0.0009725800000000, -0.0007859200000000, -0.0019358000000000 ] - [ 0.0006690900000000, 0.0007793000000000, 0.0030612200000000 ] - [ -0.0000485100000000, 0.0001069100000000, -0.0001631800000000 ] - [ -0.0004254400000000, 0.0006154300000000, 0.0001258700000000 ] - [ 0.0003596100000000, 0.0004566900000000, -0.0004446600000000 ] - [ 0.0008395600000000, -0.0005566000000000, -0.0002428600000000 ] - [ -0.0012619400000000, 0.0005185800000000, -0.0004818200000000 ] - [ -0.0037116200000000, 0.0011010200000000, 0.0004345000000000 ] - [ 0.0008889800000000, 0.0000305000000000, -0.0007506200000000 ] - [ 0.0003255700000000, 0.0000282900000000, -0.0000175900000000 ] - [ -0.0028457300000000, -0.0009713100000000, 0.0002069800000000 ] - [ 0.0002390200000000, 0.0001455800000000, -0.0000742500000000 ] - [ -0.0007184200000000, -0.0000873600000000, 0.0007863900000000 ] - [ -0.0013569400000000, 0.0004477800000000, -0.0008498000000000 ] - [ 0.0000000100000000, 0.0000992200000000, -0.0001521300000000 ] - [ -0.0600455700000000, -0.0144905300000000, 0.0113792100000000 ] - [ 0.0008418100000000, -0.0007072700000000, 0.0000293500000000 ] - [ -0.0003708900000000, 0.0005430200000000, -0.0002114100000000 ] - [ -0.0005753400000000, 0.0004765500000000, 0.0006593100000000 ] - [ -0.0003707700000000, 0.0002648200000000, 0.0003532700000000 ] - [ 0.0003705600000000, 0.0004461400000000, -0.0000724700000000 ] - [ -0.0009506200000000, -0.0018223300000000, 0.0003000100000000 ] - [ -0.0002117300000000, -0.0003026300000000, 0.0002230200000000 ] - [ -0.0001905800000000, 0.0000849300000000, -0.0001551600000000 ] - [ 0.0000576200000000, -0.0001508400000000, 0.0002250600000000 ] - [ 0.0001277400000000, 0.0002076900000000, 0.0001873300000000 ] - [ -0.0001989400000000, -0.0000054000000000, -0.0002534500000000 ] - [ -0.0003413200000000, 0.0004319200000000, 0.0004635900000000 ] - [ 0.0002997500000000, 0.0004463200000000, -0.0003426200000000 ] - [ 0.0037720200000000, -0.0017014800000000, -0.0035974200000000 ] - [ -0.0002937500000000, -0.0004239500000000, 0.0004959100000000 ] - [ -0.0000209900000000, -0.0000451100000000, 0.0003541700000000 ] - [ 0.0001680400000000, -0.0000281800000000, -0.0004009300000000 ] - [ 0.0001594600000000, -0.0000002100000000, -0.0001866200000000 ] - [ -0.0000385500000000, 0.0000213600000000, 0.0002113600000000 ] - [ 0.0002271300000000, 0.0000544600000000, -0.0000806300000000 ] - [ -0.0001846600000000, 0.0001314400000000, 0.0001878900000000 ] - [ -0.0001264900000000, 0.0000721800000000, 0.0001869200000000 ] - [ 0.0002834300000000, -0.0003113900000000, -0.0005570900000000 ] - [ 0.0002251600000000, -0.0006037600000000, 0.0001861900000000 ] - [ -0.0000930200000000, -0.0007051100000000, 0.0004589000000000 ] - [ -0.0003188400000000, 0.0004743300000000, -0.0001352900000000 ] - [ 0.0002300500000000, 0.0006220800000000, 0.0001623000000000 ] - [ 0.0065766500000000, -0.0058389900000000, 0.0017813500000000 ] - [ 0.0002689100000000, 0.0005660800000000, 0.0002661900000000 ] - [ 0.0042546800000000, 0.0032769200000000, 0.0008448200000000 ] - [ 0.0002882100000000, -0.0003883600000000, -0.0000491300000000 ] - [ 0.0000531600000000, 0.0007572600000000, -0.0012545600000000 ] - [ 0.0005186200000000, -0.0001822700000000, -0.0002194000000000 ] - [ 0.0004081600000000, 0.0002751500000000, 0.0002268500000000 ] - [ -0.0001104600000000, 0.0003917800000000, -0.0003982000000000 ] - [ -0.0002046500000000, -0.0005184500000000, -0.0000689300000000 ] - [ -0.0002339600000000, 0.0005029100000000, -0.0000435300000000 ] - [ -0.0001133400000000, 0.0004244800000000, 0.0000483100000000 ] - [ -0.0002349600000000, -0.0003731600000000, 0.0000327000000000 ] - [ -0.0004916100000000, -0.0001548300000000, -0.0000036000000000 ] - [ 0.0002331300000000, -0.0000803400000000, -0.0000718300000000 ] - [ 0.0000582900000000, 0.0001517600000000, -0.0000256500000000 ] - [ -0.0005008200000000, 0.0001334500000000, -0.0000206400000000 ]- atom: 45 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ 0.0011109900000000, 0.0005788500000000, -0.0000336500000000 ] - [ -0.0007351800000000, -0.0000343700000000, -0.0000664600000000 ] - [ -0.0007230400000000, 0.0001012800000000, -0.0002617700000000 ] - [ 0.0011075000000000, -0.0000583700000000, -0.0004134200000000 ] - [ -0.0282675900000000, -0.0016178900000000, 0.0120315600000000 ] - [ 0.0005581000000000, -0.0000323500000000, -0.0008200800000000 ] - [ 0.0003431600000000, 0.0002623100000000, -0.0005492000000000 ] - [ -0.0002254400000000, -0.0009285100000000, -0.0011640900000000 ] - [ 0.0006395400000000, -0.0008290700000000, 0.0008090700000000 ] - [ -0.0264245300000000, -0.0117246300000000, -0.0014078300000000 ] - [ 0.0001449300000000, 0.0005377100000000, 0.0017580100000000 ] - [ 0.0008661300000000, 0.0001068800000000, 0.0000106100000000 ] - [ 0.0008068300000000, -0.0000843700000000, 0.0001625800000000 ] - [ -0.0004211900000000, -0.0023149900000000, -0.0020683400000000 ] - [ 0.0001938300000000, 0.0017692900000000, 0.0019150900000000 ] - [ 0.0007173900000000, 0.0005488200000000, 0.0001855700000000 ] - [ 0.0000581400000000, -0.0002605200000000, 0.0006885100000000 ] - [ 0.0003441600000000, -0.0002695200000000, -0.0001610200000000 ] - [ -0.0004447300000000, -0.0001221100000000, -0.0005379600000000 ] - [ -0.0002682700000000, 0.0002894400000000, 0.0005946000000000 ] - [ 0.0004529800000000, 0.0002973400000000, 0.0012371300000000 ] - [ -0.0005206700000000, -0.0006159700000000, -0.0003831700000000 ] - [ -0.0006445200000000, 0.0005390200000000, -0.0003581400000000 ] - [ 0.0005803700000000, 0.0005085000000000, 0.0005979500000000 ] - [ -0.0004018900000000, 0.0002233800000000, 0.0005785400000000 ] - [ 0.0001427700000000, 0.0002881000000000, -0.0002176800000000 ] - [ 0.0003866600000000, -0.0002255500000000, -0.0003077500000000 ] - [ -0.0023525300000000, -0.0031819200000000, -0.0009627100000000 ] - [ -0.0000781800000000, -0.0001931100000000, -0.0001838800000000 ] - [ -0.0008118600000000, 0.0005010800000000, 0.0024020900000000 ] - [ -0.0005100700000000, -0.0005495300000000, -0.0026643800000000 ] - [ -0.0001085600000000, 0.0001394200000000, -0.0002622900000000 ] - [ -0.0004007400000000, 0.0002611700000000, 0.0006877600000000 ] - [ 0.0004562800000000, 0.0004852800000000, -0.0004041500000000 ] - [ -0.0000716200000000, -0.0003192300000000, -0.0006500800000000 ] - [ 0.0004370800000000, -0.0013920600000000, 0.0013336000000000 ] - [ 0.0033471000000000, -0.0011460400000000, 0.0001093400000000 ] - [ -0.0005365400000000, -0.0000191900000000, 0.0002662400000000 ] - [ 0.0000688100000000, 0.0000055100000000, -0.0004858200000000 ] - [ 0.0025031700000000, 0.0009845200000000, 0.0002629300000000 ] - [ 0.0004264400000000, -0.0003076800000000, -0.0001406000000000 ] - [ 0.0000644300000000, -0.0000686900000000, -0.0005654500000000 ] - [ 0.0007427900000000, -0.0003121100000000, 0.0010887600000000 ] - [ 0.0006217800000000, 0.0000416600000000, -0.0000859300000000 ] - [ 0.0601067600000000, 0.0134931400000000, -0.0114098300000000 ] - [ -0.0011338200000000, -0.0005150000000000, -0.0004244800000000 ] - [ 0.0000640400000000, 0.0006386500000000, -0.0002297200000000 ] - [ 0.0008579100000000, 0.0007744200000000, -0.0002645100000000 ] - [ -0.0003426200000000, 0.0002670400000000, 0.0002408000000000 ] - [ 0.0004009900000000, 0.0000826900000000, -0.0005593800000000 ] - [ 0.0017233500000000, 0.0013382000000000, -0.0009262500000000 ] - [ -0.0005605900000000, -0.0002414600000000, 0.0003445100000000 ] - [ 0.0000415600000000, -0.0003756600000000, -0.0002312800000000 ] - [ 0.0000875900000000, -0.0001646700000000, 0.0002148700000000 ] - [ -0.0000027500000000, 0.0000222800000000, 0.0002053100000000 ] - [ 0.0000629500000000, 0.0002825000000000, -0.0001486600000000 ] - [ -0.0004834900000000, 0.0004425400000000, 0.0003712800000000 ] - [ 0.0005116700000000, 0.0004702400000000, -0.0005254700000000 ] - [ -0.0030888400000000, 0.0008516300000000, 0.0027459800000000 ] - [ -0.0005072800000000, -0.0004913400000000, 0.0003756100000000 ] - [ -0.0003195800000000, -0.0000041000000000, 0.0001861700000000 ] - [ 0.0002006400000000, 0.0000197600000000, -0.0000749000000000 ] - [ 0.0001959600000000, 0.0000301400000000, -0.0003025100000000 ] - [ -0.0003335000000000, -0.0000047500000000, 0.0002688000000000 ] - [ 0.0004248400000000, -0.0002098700000000, -0.0001526600000000 ] - [ -0.0004498400000000, -0.0002762700000000, 0.0000472300000000 ] - [ -0.0004991600000000, 0.0000731500000000, 0.0000547800000000 ] - [ 0.0003524100000000, 0.0004563700000000, 0.0003236300000000 ] - [ 0.0001127000000000, -0.0006186400000000, 0.0001768300000000 ] - [ -0.0002118800000000, -0.0004822800000000, -0.0008954300000000 ] - [ 0.0000092700000000, 0.0007225700000000, -0.0003004300000000 ] - [ 0.0000551300000000, 0.0006000800000000, 0.0002538300000000 ] - [ -0.0063601200000000, 0.0046194200000000, -0.0017110100000000 ] - [ -0.0002784300000000, 0.0004387100000000, -0.0002706100000000 ] - [ -0.0041147100000000, -0.0024415200000000, -0.0007987500000000 ] - [ -0.0002902200000000, -0.0003041500000000, 0.0000535100000000 ] - [ -0.0008124000000000, -0.0010603400000000, 0.0012642200000000 ] - [ 0.0002386900000000, -0.0001111500000000, 0.0002179800000000 ] - [ 0.0003368600000000, 0.0000144400000000, -0.0002241900000000 ] - [ -0.0006370600000000, -0.0000994000000000, 0.0003992100000000 ] - [ 0.0002053000000000, -0.0004894400000000, 0.0000687000000000 ] - [ 0.0002234800000000, 0.0005023400000000, 0.0000385000000000 ] - [ 0.0001209400000000, 0.0002653000000000, -0.0000553800000000 ] - [ 0.0002258800000000, -0.0003199800000000, -0.0000289200000000 ] - [ -0.0002553400000000, -0.0001412300000000, -0.0000008200000000 ] - [ 0.0005177300000000, -0.0002153300000000, 0.0000730300000000 ] - [ 0.0006868900000000, 0.0001387600000000, 0.0000264600000000 ] - [ -0.0002561400000000, 0.0001603900000000, 0.0000198400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010682000000000, 0.0005285900000000, 0.0016765200000000 ] - [ -0.0006949900000000, -0.0001383700000000, -0.0004077400000000 ] - [ -0.0007210900000000, 0.0000991700000000, -0.0002516900000000 ] - [ 0.0016707200000000, 0.0005920700000000, 0.0024041800000000 ] - [ -0.0016786200000000, 0.0211278200000000, 0.0117738600000000 ] - [ 0.0001103600000000, -0.0002935500000000, -0.0005666400000000 ] - [ 0.0002283000000000, 0.0002262700000000, -0.0006293400000000 ] - [ 0.0007531100000000, 0.0015932700000000, 0.0017820800000000 ] - [ 0.0006602400000000, -0.0003889100000000, 0.0003742700000000 ] - [ 0.0131301900000000, 0.0340205000000000, 0.0096476800000000 ] - [ -0.0013283200000000, 0.0012147700000000, 0.0012879500000000 ] - [ 0.0004722100000000, 0.0005594300000000, 0.0005055800000000 ] - [ 0.0006268700000000, -0.0000766400000000, 0.0003498000000000 ] - [ -0.0002003700000000, 0.0011759400000000, 0.0004208700000000 ] - [ -0.0009981100000000, -0.0008194000000000, 0.0001245800000000 ] - [ 0.0006551500000000, 0.0001054800000000, 0.0003439700000000 ] - [ -0.0000563100000000, -0.0002631900000000, 0.0006846900000000 ] - [ 0.0002583400000000, 0.0014539400000000, -0.0002916100000000 ] - [ 0.0006582600000000, 0.0001526000000000, -0.0009890600000000 ] - [ -0.0001615600000000, 0.0002912900000000, 0.0005069300000000 ] - [ 0.0001351200000000, -0.0016440000000000, 0.0010190300000000 ] - [ -0.0006951900000000, -0.0005324800000000, -0.0003972100000000 ] - [ -0.0006109900000000, 0.0004831100000000, -0.0004224500000000 ] - [ 0.0008715000000000, 0.0003229100000000, 0.0005626500000000 ] - [ -0.0006310800000000, 0.0001196200000000, 0.0006793000000000 ] - [ 0.0004314700000000, 0.0002991700000000, -0.0003469800000000 ] - [ 0.0003814100000000, -0.0002389100000000, -0.0002611300000000 ] - [ 0.0012872400000000, 0.0009132400000000, 0.0008921000000000 ] - [ -0.0000394600000000, -0.0001613000000000, -0.0001963800000000 ] - [ 0.0010928700000000, -0.0016646300000000, -0.0010464000000000 ] - [ 0.0017848600000000, -0.0022950900000000, 0.0028612500000000 ] - [ -0.0000827500000000, 0.0001129300000000, -0.0002207500000000 ] - [ -0.0003727500000000, 0.0003106200000000, 0.0005388400000000 ] - [ 0.0004259000000000, 0.0004805000000000, -0.0003960000000000 ] - [ 0.0000694400000000, -0.0003810400000000, -0.0005845500000000 ] - [ 0.0012705900000000, 0.0056076200000000, 0.0012466800000000 ] - [ 0.0004795600000000, -0.0005692400000000, 0.0028660600000000 ] - [ 0.0004373700000000, -0.0001290000000000, -0.0003400800000000 ] - [ 0.0000995300000000, -0.0000029600000000, -0.0003034800000000 ] - [ -0.0014507100000000, 0.0019798800000000, 0.0030665500000000 ] - [ 0.0002594400000000, 0.0001807400000000, 0.0000049400000000 ] - [ -0.0002316900000000, 0.0000637300000000, 0.0001497200000000 ] - [ -0.0006465000000000, 0.0004553500000000, -0.0004984200000000 ] - [ 0.0003465000000000, 0.0003667000000000, 0.0000324400000000 ] - [ -0.0135842400000000, -0.0764143700000000, -0.0378023400000000 ] - [ -0.0000506000000000, -0.0009255700000000, -0.0002530800000000 ] - [ -0.0001985900000000, 0.0006051400000000, -0.0001076800000000 ] - [ 0.0002924300000000, -0.0015954800000000, 0.0015744900000000 ] - [ -0.0003660700000000, 0.0002624800000000, 0.0002874200000000 ] - [ 0.0002303400000000, 0.0002949400000000, 0.0000949300000000 ] - [ -0.0009891900000000, 0.0016600400000000, 0.0032439200000000 ] - [ -0.0001988300000000, -0.0002961600000000, 0.0002195300000000 ] - [ -0.0001891800000000, 0.0004235600000000, -0.0002436800000000 ] - [ 0.0001054400000000, -0.0001712600000000, 0.0002235200000000 ] - [ 0.0000499100000000, 0.0001253400000000, 0.0001936700000000 ] - [ -0.0000436600000000, 0.0003741100000000, -0.0000841000000000 ] - [ -0.0003914600000000, 0.0004364100000000, 0.0004396400000000 ] - [ 0.0005408300000000, 0.0006885100000000, -0.0001903600000000 ] - [ -0.0021953300000000, -0.0000585700000000, 0.0001337300000000 ] - [ -0.0004028300000000, -0.0004610100000000, 0.0004270300000000 ] - [ -0.0002319900000000, -0.0000120900000000, 0.0002308500000000 ] - [ 0.0007999100000000, 0.0002660100000000, -0.0000798700000000 ] - [ 0.0000285300000000, -0.0000211100000000, -0.0002448200000000 ] - [ -0.0001106900000000, 0.0000337600000000, 0.0002246500000000 ] - [ 0.0006857900000000, -0.0005815000000000, -0.0003990200000000 ] - [ -0.0002927900000000, -0.0000432700000000, 0.0001307600000000 ] - [ -0.0001090100000000, -0.0001595200000000, 0.0002210500000000 ] - [ 0.0000142700000000, -0.0005361400000000, -0.0009598900000000 ] - [ 0.0001720200000000, -0.0005910200000000, 0.0001298100000000 ] - [ -0.0000430200000000, -0.0004442900000000, -0.0011698000000000 ] - [ -0.0002764900000000, 0.0008369900000000, 0.0002977500000000 ] - [ 0.0001273200000000, 0.0006221700000000, 0.0002678200000000 ] - [ -0.0049956700000000, 0.0042842000000000, -0.0009968400000000 ] - [ -0.0001335000000000, 0.0006678000000000, -0.0001457100000000 ] - [ 0.0035347800000000, 0.0032364500000000, 0.0011982700000000 ] - [ 0.0001205700000000, -0.0004100500000000, -0.0001785700000000 ] - [ 0.0008834800000000, 0.0027574600000000, -0.0046372400000000 ] - [ 0.0001832300000000, -0.0001711300000000, -0.0001070100000000 ] - [ 0.0005277500000000, 0.0000911800000000, -0.0000641700000000 ] - [ -0.0005300200000000, 0.0000177200000000, 0.0002722100000000 ] - [ 0.0001045900000000, -0.0006575000000000, 0.0001492700000000 ] - [ -0.0001151200000000, 0.0004170600000000, -0.0001591700000000 ] - [ -0.0001002800000000, 0.0003930200000000, 0.0001721200000000 ] - [ 0.0000328700000000, -0.0003349200000000, -0.0001669100000000 ] - [ -0.0005215500000000, -0.0001727400000000, -0.0000003400000000 ] - [ 0.0004594300000000, -0.0000554000000000, -0.0001305500000000 ] - [ 0.0005317800000000, 0.0002632800000000, 0.0003450200000000 ] - [ -0.0002830000000000, 0.0001168800000000, -0.0000088900000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024772400000000, -0.0006982600000000, -0.0011041800000000 ] - [ -0.0007243900000000, -0.0000254700000000, -0.0001074400000000 ] - [ -0.0007667500000000, 0.0000529300000000, -0.0002412500000000 ] - [ -0.0002457100000000, -0.0004251300000000, -0.0019175600000000 ] - [ 0.0011950500000000, -0.0214607700000000, -0.0103501800000000 ] - [ 0.0002779500000000, -0.0002297900000000, -0.0006018000000000 ] - [ 0.0001839800000000, 0.0002950600000000, -0.0005680700000000 ] - [ -0.0011671600000000, -0.0010693100000000, -0.0006700400000000 ] - [ 0.0004863000000000, -0.0005991600000000, 0.0004309000000000 ] - [ -0.0148808500000000, -0.0362041900000000, -0.0113347500000000 ] - [ 0.0001722200000000, -0.0002283000000000, -0.0020217400000000 ] - [ 0.0007140000000000, 0.0005105900000000, 0.0003035000000000 ] - [ 0.0008240400000000, -0.0000680700000000, 0.0001935900000000 ] - [ -0.0012658900000000, -0.0013276400000000, -0.0009297000000000 ] - [ -0.0004506300000000, 0.0009611700000000, -0.0006261700000000 ] - [ 0.0007633700000000, 0.0000935000000000, 0.0001581300000000 ] - [ -0.0003555500000000, -0.0002527300000000, 0.0005355400000000 ] - [ 0.0001135900000000, -0.0020202000000000, -0.0008836400000000 ] - [ -0.0002504000000000, 0.0003687700000000, -0.0001865300000000 ] - [ -0.0002403200000000, 0.0002639200000000, 0.0006597400000000 ] - [ 0.0010282400000000, 0.0006419200000000, -0.0002391700000000 ] - [ -0.0004953100000000, -0.0005268300000000, -0.0004430900000000 ] - [ -0.0005406600000000, 0.0005093400000000, -0.0003236200000000 ] - [ 0.0003016800000000, 0.0007297700000000, 0.0002534700000000 ] - [ -0.0000819100000000, 0.0004120900000000, -0.0000939700000000 ] - [ 0.0003471500000000, 0.0002458800000000, -0.0002685400000000 ] - [ 0.0003587600000000, -0.0002410300000000, -0.0003467600000000 ] - [ -0.0020550800000000, -0.0014528200000000, -0.0003165500000000 ] - [ -0.0000883400000000, -0.0001327000000000, -0.0001821800000000 ] - [ -0.0009509100000000, 0.0013619900000000, 0.0014918300000000 ] - [ -0.0016504000000000, 0.0025765300000000, -0.0024530600000000 ] - [ -0.0000741000000000, 0.0001331500000000, -0.0002096100000000 ] - [ -0.0004529300000000, 0.0005701600000000, 0.0002797000000000 ] - [ 0.0003880800000000, 0.0004611500000000, -0.0004503700000000 ] - [ 0.0006933000000000, -0.0004917900000000, -0.0003105600000000 ] - [ -0.0021154600000000, -0.0066537300000000, -0.0004032600000000 ] - [ -0.0008393800000000, 0.0005158800000000, -0.0023512700000000 ] - [ -0.0000901900000000, 0.0001428300000000, -0.0001397300000000 ] - [ 0.0002903300000000, 0.0000383600000000, -0.0002056200000000 ] - [ 0.0011063500000000, -0.0019825500000000, -0.0026103500000000 ] - [ 0.0004156900000000, -0.0003483600000000, -0.0002147200000000 ] - [ -0.0004207500000000, -0.0002203500000000, 0.0000812000000000 ] - [ 0.0000347300000000, -0.0003234700000000, 0.0007349800000000 ] - [ 0.0002688300000000, -0.0002253900000000, -0.0002719400000000 ] - [ 0.0144452400000000, 0.0763597800000000, 0.0389748000000000 ] - [ -0.0002446500000000, -0.0003008300000000, -0.0001414400000000 ] - [ -0.0001023900000000, 0.0005793100000000, -0.0003323300000000 ] - [ -0.0000047800000000, 0.0028499300000000, -0.0011904800000000 ] - [ -0.0003456800000000, 0.0002656200000000, 0.0003074500000000 ] - [ 0.0005402000000000, 0.0002307600000000, -0.0007287200000000 ] - [ 0.0017366200000000, -0.0021151700000000, -0.0037992100000000 ] - [ -0.0005726800000000, -0.0002475900000000, 0.0003459100000000 ] - [ 0.0000417100000000, -0.0007028800000000, -0.0001517900000000 ] - [ 0.0000397700000000, -0.0001441800000000, 0.0002198200000000 ] - [ 0.0000705700000000, 0.0001028300000000, 0.0002004100000000 ] - [ -0.0000909400000000, -0.0001052500000000, -0.0003211600000000 ] - [ -0.0004324400000000, 0.0004358400000000, 0.0003923100000000 ] - [ 0.0002685200000000, 0.0002292200000000, -0.0006804000000000 ] - [ 0.0029660800000000, -0.0008461700000000, -0.0010398600000000 ] - [ -0.0003997000000000, -0.0004543600000000, 0.0004422400000000 ] - [ -0.0001132800000000, -0.0000358700000000, 0.0003112100000000 ] - [ -0.0004464000000000, -0.0002794300000000, -0.0003998600000000 ] - [ 0.0003286400000000, 0.0000546700000000, -0.0002451100000000 ] - [ -0.0002619500000000, -0.0000188600000000, 0.0002573500000000 ] - [ -0.0000324100000000, 0.0004268200000000, 0.0001729300000000 ] - [ -0.0003446100000000, -0.0001010100000000, 0.0001017400000000 ] - [ -0.0005232900000000, 0.0003098500000000, 0.0000148400000000 ] - [ 0.0006164600000000, 0.0006755700000000, 0.0007219500000000 ] - [ 0.0001603000000000, -0.0006322300000000, 0.0002339600000000 ] - [ -0.0002654000000000, -0.0007539600000000, 0.0007663900000000 ] - [ -0.0000319100000000, 0.0003559700000000, -0.0007352300000000 ] - [ 0.0001499600000000, 0.0006073900000000, 0.0001442700000000 ] - [ 0.0051450800000000, -0.0053670200000000, 0.0010301100000000 ] - [ 0.0001208500000000, 0.0003393700000000, 0.0001418100000000 ] - [ -0.0033902400000000, -0.0024586400000000, -0.0011621800000000 ] - [ -0.0001264100000000, -0.0002825100000000, 0.0001833400000000 ] - [ -0.0016087900000000, -0.0030300300000000, 0.0045271300000000 ] - [ 0.0005766300000000, -0.0001221800000000, 0.0001083100000000 ] - [ 0.0002193800000000, 0.0001966700000000, 0.0000658000000000 ] - [ -0.0002235800000000, 0.0002799200000000, -0.0002702100000000 ] - [ -0.0000991600000000, -0.0003538300000000, -0.0001489300000000 ] - [ 0.0001067100000000, 0.0005937400000000, 0.0001559400000000 ] - [ 0.0001134500000000, 0.0002993000000000, -0.0001796100000000 ] - [ -0.0000390100000000, -0.0003588800000000, 0.0001714500000000 ] - [ -0.0002238100000000, -0.0001233000000000, -0.0000057200000000 ] - [ 0.0002943900000000, -0.0002391600000000, 0.0001336300000000 ] - [ 0.0002191700000000, 0.0000272000000000, -0.0003452100000000 ] - [ -0.0004740700000000, 0.0001766600000000, 0.0000072000000000 ]- atom: 45 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ -0.0004450900000000, 0.0001240200000000, 0.0016655000000000 ] - [ -0.0007953100000000, -0.0001343500000000, -0.0002978200000000 ] - [ -0.0006219700000000, 0.0000582200000000, -0.0002158300000000 ] - [ 0.0017383700000000, 0.0013045500000000, 0.0012518300000000 ] - [ -0.0152792500000000, 0.0099007600000000, 0.0406437300000000 ] - [ 0.0003481300000000, -0.0002731600000000, -0.0001095300000000 ] - [ 0.0001715300000000, 0.0001910400000000, -0.0008416000000000 ] - [ 0.0007506500000000, 0.0008599000000000, -0.0004464700000000 ] - [ 0.0005440800000000, -0.0005380200000000, 0.0004150600000000 ] - [ 0.0027848400000000, 0.0123205700000000, 0.0254411000000000 ] - [ -0.0014529100000000, 0.0015405500000000, 0.0013547100000000 ] - [ 0.0007009100000000, 0.0002493700000000, 0.0000614500000000 ] - [ 0.0006179400000000, -0.0000166300000000, 0.0002281100000000 ] - [ -0.0004654800000000, 0.0013695400000000, 0.0002849100000000 ] - [ -0.0008154600000000, 0.0011939100000000, 0.0011989200000000 ] - [ 0.0008237700000000, 0.0002713500000000, 0.0002563700000000 ] - [ -0.0002388300000000, -0.0002362800000000, 0.0007613000000000 ] - [ -0.0003096000000000, 0.0006103700000000, 0.0009486500000000 ] - [ -0.0000025500000000, 0.0003131500000000, -0.0012363200000000 ] - [ -0.0002311500000000, 0.0003332100000000, 0.0004432500000000 ] - [ -0.0008348700000000, 0.0011878100000000, 0.0027326500000000 ] - [ -0.0006327800000000, -0.0004815700000000, -0.0003599900000000 ] - [ -0.0005849700000000, 0.0005401300000000, -0.0004256700000000 ] - [ 0.0002531100000000, 0.0001528500000000, -0.0001288700000000 ] - [ -0.0007521300000000, 0.0002389400000000, 0.0004078700000000 ] - [ 0.0002317500000000, 0.0002623900000000, -0.0002688900000000 ] - [ 0.0004108700000000, -0.0002349200000000, -0.0002852000000000 ] - [ 0.0013760500000000, -0.0000310200000000, -0.0012303400000000 ] - [ -0.0000161500000000, -0.0001604800000000, -0.0001861400000000 ] - [ -0.0032454100000000, -0.0014613000000000, 0.0033990800000000 ] - [ 0.0021881700000000, 0.0024017200000000, 0.0037212700000000 ] - [ -0.0001140800000000, 0.0001328500000000, -0.0002196600000000 ] - [ -0.0001666600000000, 0.0002952500000000, 0.0010882500000000 ] - [ 0.0004722600000000, 0.0004788400000000, -0.0003902000000000 ] - [ 0.0003829300000000, -0.0004227400000000, -0.0004721800000000 ] - [ -0.0010628700000000, 0.0000806700000000, -0.0022741200000000 ] - [ 0.0009250100000000, 0.0019781000000000, 0.0059574500000000 ] - [ -0.0004041600000000, -0.0000329700000000, -0.0001016300000000 ] - [ 0.0003392200000000, -0.0000250500000000, -0.0001845700000000 ] - [ -0.0001541800000000, 0.0032038000000000, 0.0033249100000000 ] - [ 0.0001462700000000, -0.0001854700000000, -0.0002932100000000 ] - [ 0.0003395700000000, 0.0002724700000000, -0.0002592500000000 ] - [ -0.0011334200000000, -0.0000629500000000, -0.0003603100000000 ] - [ 0.0005379200000000, 0.0001948300000000, 0.0001289000000000 ] - [ 0.0136295600000000, -0.0389252800000000, -0.0923545700000000 ] - [ 0.0000506400000000, -0.0005522300000000, -0.0004449900000000 ] - [ -0.0001360900000000, 0.0007055000000000, 0.0000454400000000 ] - [ 0.0006254000000000, -0.0007679900000000, 0.0011044100000000 ] - [ -0.0003859700000000, 0.0002667100000000, 0.0002543600000000 ] - [ 0.0002089600000000, 0.0003308000000000, -0.0003307500000000 ] - [ 0.0006445100000000, 0.0040057500000000, 0.0011936100000000 ] - [ -0.0002964900000000, -0.0002425200000000, 0.0003237500000000 ] - [ 0.0003270000000000, -0.0000946900000000, -0.0001753700000000 ] - [ 0.0001395400000000, -0.0001749500000000, 0.0002257900000000 ] - [ -0.0000425800000000, 0.0000531300000000, 0.0001919200000000 ] - [ -0.0003293800000000, 0.0005706500000000, -0.0001196300000000 ] - [ -0.0003284700000000, 0.0004187500000000, 0.0004788700000000 ] - [ 0.0007282800000000, 0.0004951000000000, -0.0000452900000000 ] - [ -0.0025226500000000, 0.0003570300000000, -0.0011931100000000 ] - [ -0.0005268000000000, -0.0005024400000000, 0.0003364600000000 ] - [ -0.0001824700000000, -0.0000010300000000, 0.0002509500000000 ] - [ 0.0005330400000000, 0.0004465900000000, -0.0003405000000000 ] - [ -0.0004382700000000, 0.0002729000000000, 0.0001017200000000 ] - [ -0.0001347800000000, 0.0000269800000000, 0.0002508000000000 ] - [ 0.0009496300000000, -0.0006934700000000, -0.0003359500000000 ] - [ -0.0003330800000000, -0.0000934200000000, 0.0000594400000000 ] - [ -0.0002218700000000, -0.0001291100000000, 0.0003053600000000 ] - [ -0.0002393200000000, -0.0004621300000000, -0.0007053600000000 ] - [ 0.0001694600000000, -0.0006637200000000, 0.0000051800000000 ] - [ 0.0005227700000000, 0.0003762200000000, -0.0033300700000000 ] - [ -0.0000679800000000, 0.0011204800000000, 0.0006916800000000 ] - [ 0.0000931700000000, 0.0005488000000000, 0.0003991000000000 ] - [ 0.0020673200000000, -0.0018736300000000, 0.0006090000000000 ] - [ -0.0001422800000000, 0.0005649100000000, -0.0005669500000000 ] - [ 0.0009781400000000, 0.0016211600000000, 0.0010289900000000 ] - [ 0.0000558200000000, -0.0003831900000000, -0.0003782600000000 ] - [ -0.0017842600000000, -0.0046829700000000, 0.0074052900000000 ] - [ 0.0000761000000000, -0.0001401900000000, -0.0000392800000000 ] - [ 0.0005613200000000, 0.0001848700000000, 0.0000409600000000 ] - [ -0.0004811700000000, 0.0002853800000000, -0.0000221800000000 ] - [ 0.0001868800000000, -0.0006437300000000, 0.0002681100000000 ] - [ -0.0000694100000000, 0.0003807300000000, -0.0002447800000000 ] - [ -0.0001448000000000, 0.0003485700000000, 0.0002517300000000 ] - [ 0.0001517100000000, -0.0002942400000000, -0.0003079700000000 ] - [ -0.0005139900000000, -0.0001972000000000, -0.0000142800000000 ] - [ 0.0005343300000000, -0.0000891500000000, -0.0000678300000000 ] - [ -0.0000344100000000, 0.0003397200000000, 0.0000521500000000 ] - [ -0.0002011200000000, 0.0001222900000000, 0.0000145700000000 ]- atom: 45 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0018503500000000, -0.0002964600000000, -0.0010927100000000 ] - [ -0.0006450900000000, -0.0000155800000000, -0.0002227900000000 ] - [ -0.0008634200000000, 0.0000889900000000, -0.0002834700000000 ] - [ -0.0002992800000000, -0.0011779000000000, -0.0007175500000000 ] - [ 0.0140487400000000, -0.0096054900000000, -0.0377313300000000 ] - [ 0.0000486700000000, -0.0002445800000000, -0.0010793600000000 ] - [ 0.0002409100000000, 0.0003286000000000, -0.0003660200000000 ] - [ -0.0011406400000000, -0.0003099900000000, 0.0016347000000000 ] - [ 0.0006063700000000, -0.0004637600000000, 0.0003954600000000 ] - [ -0.0042100000000000, -0.0138804500000000, -0.0268084800000000 ] - [ 0.0002724500000000, -0.0005312700000000, -0.0021022400000000 ] - [ 0.0004823600000000, 0.0008184800000000, 0.0007471600000000 ] - [ 0.0008364400000000, -0.0001211300000000, 0.0003108300000000 ] - [ -0.0009898500000000, -0.0015393100000000, -0.0007943800000000 ] - [ -0.0006463700000000, -0.0010102900000000, -0.0016758500000000 ] - [ 0.0006119000000000, -0.0000904100000000, 0.0002491100000000 ] - [ -0.0001752300000000, -0.0002713000000000, 0.0004716700000000 ] - [ 0.0006603300000000, -0.0011683300000000, -0.0021124300000000 ] - [ 0.0004099100000000, 0.0002110500000000, 0.0000375600000000 ] - [ -0.0001714500000000, 0.0002094900000000, 0.0007360800000000 ] - [ 0.0019349100000000, -0.0020948200000000, -0.0018950700000000 ] - [ -0.0005500000000000, -0.0005835200000000, -0.0004767900000000 ] - [ -0.0005656300000000, 0.0004619700000000, -0.0003301200000000 ] - [ 0.0009141400000000, 0.0008982400000000, 0.0009294300000000 ] - [ 0.0000274600000000, 0.0002889100000000, 0.0001823400000000 ] - [ 0.0005520700000000, 0.0002769000000000, -0.0003521700000000 ] - [ 0.0003395500000000, -0.0002441100000000, -0.0003281900000000 ] - [ -0.0021350300000000, -0.0004939200000000, 0.0018469300000000 ] - [ -0.0001139200000000, -0.0001327700000000, -0.0001936800000000 ] - [ 0.0033231200000000, 0.0011285600000000, -0.0029039900000000 ] - [ -0.0020773000000000, -0.0022029400000000, -0.0033570400000000 ] - [ -0.0000432000000000, 0.0001188300000000, -0.0002052700000000 ] - [ -0.0006480600000000, 0.0005873400000000, -0.0002570900000000 ] - [ 0.0003357700000000, 0.0004601600000000, -0.0004664100000000 ] - [ 0.0003732100000000, -0.0004520200000000, -0.0004276900000000 ] - [ 0.0002780800000000, -0.0009500100000000, 0.0031744500000000 ] - [ -0.0012529300000000, -0.0019763200000000, -0.0053182100000000 ] - [ 0.0007315200000000, 0.0000328100000000, -0.0003785300000000 ] - [ 0.0000321500000000, 0.0000680200000000, -0.0003213900000000 ] - [ -0.0001893800000000, -0.0032230100000000, -0.0028624400000000 ] - [ 0.0005162600000000, 0.0000224700000000, 0.0000739900000000 ] - [ -0.0009777700000000, -0.0004252900000000, 0.0004878100000000 ] - [ 0.0005217600000000, 0.0001930800000000, 0.0006066100000000 ] - [ 0.0000808200000000, -0.0000530300000000, -0.0003714000000000 ] - [ -0.0120369900000000, 0.0371434900000000, 0.0916334900000000 ] - [ -0.0003619400000000, -0.0006676200000000, 0.0000506800000000 ] - [ -0.0001714000000000, 0.0004778400000000, -0.0004790100000000 ] - [ -0.0003304200000000, 0.0019873400000000, -0.0006983800000000 ] - [ -0.0003391500000000, 0.0002574200000000, 0.0003477600000000 ] - [ 0.0005647400000000, 0.0001894300000000, -0.0003035400000000 ] - [ 0.0001464400000000, -0.0044067400000000, -0.0018035200000000 ] - [ -0.0004847900000000, -0.0002930700000000, 0.0002570200000000 ] - [ -0.0004727000000000, -0.0001942700000000, -0.0002148500000000 ] - [ 0.0000057400000000, -0.0001370000000000, 0.0002120800000000 ] - [ 0.0001660200000000, 0.0001831200000000, 0.0001997600000000 ] - [ 0.0001923200000000, -0.0002974400000000, -0.0002814900000000 ] - [ -0.0004878700000000, 0.0004580800000000, 0.0003677400000000 ] - [ 0.0000794400000000, 0.0004201400000000, -0.0008235100000000 ] - [ 0.0032721400000000, -0.0012544000000000, 0.0002571700000000 ] - [ -0.0002689100000000, -0.0004139600000000, 0.0005416400000000 ] - [ -0.0001487400000000, -0.0000531000000000, 0.0002860100000000 ] - [ -0.0001852100000000, -0.0004670400000000, -0.0001400600000000 ] - [ 0.0007648800000000, -0.0002306100000000, -0.0005846000000000 ] - [ -0.0002200200000000, -0.0000035500000000, 0.0002311700000000 ] - [ -0.0003008100000000, 0.0005372800000000, 0.0001025000000000 ] - [ -0.0002972700000000, -0.0000507600000000, 0.0001779300000000 ] - [ -0.0004015200000000, 0.0002769400000000, -0.0000627200000000 ] - [ 0.0008587800000000, 0.0006026200000000, 0.0004614100000000 ] - [ 0.0001689000000000, -0.0005571100000000, 0.0003557500000000 ] - [ -0.0008299000000000, -0.0015621000000000, 0.0028988400000000 ] - [ -0.0002479000000000, 0.0000795200000000, -0.0011104100000000 ] - [ 0.0001956400000000, 0.0006717900000000, 0.0000120500000000 ] - [ -0.0020678100000000, 0.0008747900000000, -0.0006226400000000 ] - [ 0.0001292400000000, 0.0004400300000000, 0.0005600000000000 ] - [ -0.0009661600000000, -0.0009141900000000, -0.0010300700000000 ] - [ -0.0000601300000000, -0.0003117800000000, 0.0003788900000000 ] - [ 0.0011053900000000, 0.0045972200000000, -0.0076900300000000 ] - [ 0.0006769900000000, -0.0001538100000000, 0.0000426000000000 ] - [ 0.0001855600000000, 0.0001049500000000, -0.0000404300000000 ] - [ -0.0002714900000000, 0.0000074300000000, 0.0000218700000000 ] - [ -0.0001808300000000, -0.0003624000000000, -0.0002665100000000 ] - [ 0.0000646000000000, 0.0006213700000000, 0.0002395500000000 ] - [ 0.0001593200000000, 0.0003443600000000, -0.0002566400000000 ] - [ -0.0001563200000000, -0.0003991700000000, 0.0003096100000000 ] - [ -0.0002289200000000, -0.0000995000000000, 0.0000082700000000 ] - [ 0.0002183000000000, -0.0002086200000000, 0.0000678900000000 ] - [ 0.0007775300000000, -0.0000457300000000, -0.0000501600000000 ] - [ -0.0005494800000000, 0.0001729000000000, -0.0000151500000000 ]- atom: 73 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0010970600000000, -0.0002853200000000, 0.0004546100000000 ] - [ -0.0003291700000000, 0.0001237000000000, -0.0000755800000000 ] - [ -0.0004722300000000, -0.0001734100000000, -0.0001408100000000 ] - [ 0.0010005800000000, 0.0003192100000000, 0.0003653000000000 ] - [ 0.0005368200000000, -0.0011024600000000, -0.0001197500000000 ] - [ 0.0009397800000000, 0.0005838500000000, -0.0013063600000000 ] - [ 0.0004612200000000, 0.0002055700000000, -0.0005643100000000 ] - [ 0.0000519000000000, 0.0003203200000000, 0.0006377500000000 ] - [ 0.0025462600000000, 0.0009444600000000, 0.0024637100000000 ] - [ 0.0013501400000000, -0.0019317400000000, 0.0016285500000000 ] - [ -0.0005115000000000, 0.0004752200000000, -0.0003799800000000 ] - [ 0.0006609800000000, 0.0005758400000000, 0.0004069500000000 ] - [ -0.0002142700000000, -0.0009170000000000, 0.0008545700000000 ] - [ -0.0016625400000000, 0.0007739200000000, 0.0003229400000000 ] - [ -0.0008765200000000, -0.0002032300000000, -0.0002429500000000 ] - [ 0.0005595300000000, 0.0003749700000000, 0.0002499000000000 ] - [ 0.0008819300000000, -0.0003819700000000, 0.0004667200000000 ] - [ 0.0012929100000000, -0.0001389100000000, -0.0007321600000000 ] - [ 0.0001969500000000, 0.0004149900000000, -0.0004939900000000 ] - [ -0.0002095100000000, 0.0001202100000000, 0.0006895600000000 ] - [ 0.0005653500000000, -0.0002563400000000, 0.0004455600000000 ] - [ -0.0006056200000000, -0.0007682400000000, -0.0003836700000000 ] - [ -0.0005647000000000, 0.0005830400000000, -0.0003712000000000 ] - [ 0.0005930800000000, 0.0004434900000000, 0.0004091600000000 ] - [ -0.0004067200000000, 0.0002302400000000, 0.0003382800000000 ] - [ 0.0003484700000000, 0.0003055600000000, -0.0002659400000000 ] - [ 0.0004044600000000, -0.0001474100000000, -0.0002383400000000 ] - [ -0.0003407800000000, -0.0003625400000000, 0.0003643500000000 ] - [ -0.0002750700000000, -0.0004967700000000, -0.0001950000000000 ] - [ -0.0001399200000000, 0.0001958100000000, 0.0002085800000000 ] - [ -0.0001100500000000, 0.0002605000000000, -0.0001801100000000 ] - [ -0.0002624600000000, -0.0000156100000000, -0.0006025600000000 ] - [ -0.0003858600000000, 0.0004359200000000, 0.0004500500000000 ] - [ 0.0004317000000000, 0.0004771900000000, -0.0003890800000000 ] - [ 0.0051766100000000, -0.0044160200000000, -0.0009822600000000 ] - [ 0.0041899200000000, 0.0034068500000000, -0.0001297600000000 ] - [ -0.0004700400000000, 0.0004064000000000, 0.0001369200000000 ] - [ -0.0001207100000000, -0.0004161000000000, -0.0003737800000000 ] - [ 0.0001978000000000, 0.0000962200000000, 0.0004832900000000 ] - [ -0.0001816100000000, -0.0000554600000000, 0.0009823200000000 ] - [ 0.0007127700000000, -0.0001806500000000, -0.0000482000000000 ] - [ 0.0000554700000000, 0.0000202400000000, 0.0001686400000000 ] - [ 0.0002488000000000, 0.0002164500000000, 0.0005627300000000 ] - [ 0.0008598000000000, -0.0000830800000000, 0.0003303500000000 ] - [ 0.0065238900000000, -0.0056017500000000, 0.0023821100000000 ] - [ 0.0064225400000000, 0.0045445600000000, 0.0020648900000000 ] - [ 0.0001200800000000, 0.0004628700000000, -0.0003500700000000 ] - [ 0.0004167400000000, 0.0007485900000000, 0.0000681800000000 ] - [ -0.0003218300000000, 0.0002776500000000, 0.0000190900000000 ] - [ 0.0004237000000000, 0.0002458500000000, -0.0005983300000000 ] - [ 0.0003971300000000, -0.0002459800000000, -0.0003200300000000 ] - [ -0.0003813400000000, -0.0002692700000000, 0.0002753300000000 ] - [ -0.0000755000000000, -0.0001086100000000, -0.0001960700000000 ] - [ 0.0000712000000000, -0.0001953000000000, 0.0002176200000000 ] - [ -0.0000262200000000, 0.0001214900000000, 0.0002277200000000 ] - [ -0.0001553800000000, 0.0001351500000000, -0.0001667200000000 ] - [ -0.0006584400000000, 0.0004725900000000, 0.0002064600000000 ] - [ 0.0001547500000000, 0.0004202300000000, -0.0006511400000000 ] - [ 0.0002652600000000, -0.0004271000000000, -0.0004952000000000 ] - [ -0.0005168800000000, -0.0004825800000000, 0.0003990400000000 ] - [ -0.0008317100000000, 0.0001037200000000, -0.0000185000000000 ] - [ -0.0004897200000000, -0.0001385700000000, -0.0005323700000000 ] - [ -0.0000969100000000, 0.0001474500000000, -0.0002321900000000 ] - [ -0.0004535900000000, -0.0001231500000000, 0.0002540400000000 ] - [ -0.0000026300000000, 0.0000558700000000, -0.0002055300000000 ] - [ -0.0006429400000000, -0.0002041100000000, 0.0000242100000000 ] - [ -0.0006525700000000, 0.0002009200000000, -0.0000752600000000 ] - [ -0.0000243000000000, -0.0000552300000000, -0.0003083900000000 ] - [ -0.0000373600000000, -0.0005096500000000, 0.0003597900000000 ] - [ -0.0003561800000000, -0.0006979500000000, -0.0000351100000000 ] - [ -0.0003831500000000, 0.0004870000000000, -0.0002906300000000 ] - [ -0.0000890500000000, 0.0007248100000000, 0.0001340300000000 ] - [ -0.0269063700000000, -0.0005508000000000, -0.0039801900000000 ] - [ -0.0006153000000000, 0.0005037900000000, -0.0000952100000000 ] - [ -0.0012082800000000, 0.0003411400000000, -0.0000299200000000 ] - [ -0.0006498700000000, -0.0003466500000000, 0.0001631200000000 ] - [ -0.0007571400000000, -0.0003525600000000, 0.0001971300000000 ] - [ -0.0000051000000000, 0.0000573900000000, 0.0001999700000000 ] - [ 0.0006776700000000, -0.0010355500000000, -0.0019785700000000 ] - [ -0.0000622000000000, 0.0013215200000000, -0.0019732200000000 ] - [ 0.0005463000000000, -0.0005051600000000, 0.0000741200000000 ] - [ 0.0005661100000000, 0.0005038100000000, 0.0002010300000000 ] - [ 0.0005665000000000, 0.0003457000000000, -0.0001463700000000 ] - [ 0.0004597600000000, -0.0003467900000000, -0.0000302300000000 ] - [ 0.0000264400000000, -0.0001191200000000, -0.0000025300000000 ] - [ 0.0007752200000000, -0.0001762900000000, 0.0000007900000000 ] - [ 0.0007587100000000, 0.0001507200000000, 0.0000197200000000 ] - [ 0.0000069500000000, 0.0001414500000000, 0.0000183900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008504600000000, -0.0000822900000000, 0.0001787600000000 ] - [ -0.0008504600000000, -0.0000822900000000, -0.0001787600000000 ] - [ -0.0006500700000000, 0.0000969200000000, -0.0001970200000000 ] - [ 0.0006500700000000, 0.0000969200000000, 0.0001970200000000 ] - [ -0.0008909300000000, 0.0004642000000000, 0.0008516000000000 ] - [ 0.0008909300000000, 0.0004642000000000, -0.0008516000000000 ] - [ 0.0001797400000000, 0.0005682400000000, -0.0007747100000000 ] - [ -0.0001797400000000, 0.0005682400000000, 0.0007747100000000 ] - [ 0.0006796900000000, -0.0022551000000000, 0.0008585000000000 ] - [ -0.0006796900000000, -0.0022551000000000, -0.0008585000000000 ] - [ -0.0010192100000000, 0.0000055200000000, -0.0001911100000000 ] - [ 0.0010192100000000, 0.0000055200000000, 0.0001911100000000 ] - [ 0.0005160800000000, 0.0001574900000000, -0.0006018700000000 ] - [ -0.0005160800000000, 0.0001574900000000, 0.0006018700000000 ] - [ -0.0006650700000000, 0.0007064300000000, -0.0003652000000000 ] - [ 0.0006650700000000, 0.0007064300000000, 0.0003652000000000 ] - [ -0.0008251700000000, 0.0002327300000000, 0.0006439600000000 ] - [ 0.0008251700000000, 0.0002327300000000, -0.0006439600000000 ] - [ 0.0002726000000000, 0.0002147400000000, -0.0006204900000000 ] - [ -0.0002726000000000, 0.0002147400000000, 0.0006204900000000 ] - [ 0.0006056700000000, -0.0005524600000000, 0.0004072400000000 ] - [ -0.0006056700000000, -0.0005524600000000, -0.0004072400000000 ] - [ -0.0005918300000000, 0.0005840900000000, -0.0003970600000000 ] - [ 0.0005918300000000, 0.0005840900000000, 0.0003970600000000 ] - [ -0.0001678500000000, 0.0002646000000000, 0.0002331300000000 ] - [ 0.0001678500000000, 0.0002646000000000, -0.0002331300000000 ] - [ 0.0003726800000000, -0.0002198700000000, -0.0003378400000000 ] - [ -0.0003726800000000, -0.0002198700000000, 0.0003378400000000 ] - [ 0.0000198700000000, -0.0001660600000000, -0.0002236800000000 ] - [ -0.0000198700000000, -0.0001660600000000, 0.0002236800000000 ] - [ 0.0000442100000000, 0.0002831300000000, 0.0001271000000000 ] - [ -0.0000442100000000, 0.0002831300000000, -0.0001271000000000 ] - [ -0.0004223300000000, 0.0004918800000000, 0.0004262900000000 ] - [ 0.0004223300000000, 0.0004918800000000, -0.0004262900000000 ] - [ -0.0030796100000000, 0.0012962400000000, 0.0000294700000000 ] - [ 0.0030796100000000, 0.0012962400000000, -0.0000294700000000 ] - [ 0.0007706800000000, -0.0002478700000000, 0.0002520600000000 ] - [ -0.0007706800000000, -0.0002478700000000, -0.0002520600000000 ] - [ 0.0003415900000000, -0.0002742900000000, -0.0004589400000000 ] - [ -0.0003415900000000, -0.0002742900000000, 0.0004589400000000 ] - [ 0.0001494900000000, -0.0004056200000000, -0.0002556700000000 ] - [ -0.0001494900000000, -0.0004056200000000, 0.0002556700000000 ] - [ -0.0004774600000000, -0.0003060000000000, -0.0002216700000000 ] - [ 0.0004774600000000, -0.0003060000000000, 0.0002216700000000 ] - [ -0.0051368800000000, 0.0042566500000000, -0.0013294000000000 ] - [ 0.0051368800000000, 0.0042566500000000, 0.0013294000000000 ] - [ -0.0000909700000000, 0.0007644300000000, -0.0001546100000000 ] - [ 0.0000909700000000, 0.0007644300000000, 0.0001546100000000 ] - [ -0.0004225200000000, 0.0002633500000000, 0.0004414600000000 ] - [ 0.0004225200000000, 0.0002633500000000, -0.0004414600000000 ] - [ 0.0004515000000000, -0.0002491200000000, -0.0003201400000000 ] - [ -0.0004515000000000, -0.0002491200000000, 0.0003201400000000 ] - [ -0.0000886500000000, -0.0001151700000000, -0.0001935400000000 ] - [ 0.0000886500000000, -0.0001151700000000, 0.0001935400000000 ] - [ -0.0000503600000000, -0.0001530900000000, 0.0001892200000000 ] - [ 0.0000503600000000, -0.0001530900000000, -0.0001892200000000 ] - [ -0.0003283100000000, 0.0004196600000000, 0.0004860300000000 ] - [ 0.0003283100000000, 0.0004196600000000, -0.0004860300000000 ] - [ 0.0004867300000000, -0.0005017100000000, -0.0004396300000000 ] - [ -0.0004867300000000, -0.0005017100000000, 0.0004396300000000 ] - [ 0.0001169800000000, -0.0000623300000000, 0.0004442100000000 ] - [ -0.0001169800000000, -0.0000623300000000, -0.0004442100000000 ] - [ 0.0002059600000000, -0.0000033400000000, -0.0002471900000000 ] - [ -0.0002059600000000, -0.0000033400000000, 0.0002471900000000 ] - [ 0.0002829600000000, -0.0000476300000000, -0.0001438000000000 ] - [ -0.0002829600000000, -0.0000476300000000, 0.0001438000000000 ] - [ -0.0003344200000000, 0.0000966700000000, 0.0000916800000000 ] - [ 0.0003344200000000, 0.0000966700000000, -0.0000916800000000 ] - [ 0.0001595900000000, -0.0007449300000000, 0.0000632100000000 ] - [ -0.0001595900000000, -0.0007449300000000, -0.0000632100000000 ] - [ -0.0001603600000000, 0.0005056900000000, -0.0003389600000000 ] - [ 0.0001603600000000, 0.0005056900000000, 0.0003389600000000 ] - [ 0.0000000000000000, -0.0156797900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005062600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0043750900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004320400000000, 0.0000000000000000 ] - [ -0.0004987400000000, 0.0001784200000000, -0.0002824000000000 ] - [ 0.0004987400000000, 0.0001784200000000, 0.0002824000000000 ] - [ -0.0007569000000000, 0.0001178200000000, 0.0014539400000000 ] - [ 0.0007569000000000, 0.0001178200000000, -0.0014539400000000 ] - [ 0.0000000000000000, -0.0004459500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005304700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003158000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003313100000000, 0.0000000000000000 ] - [ -0.0003350000000000, -0.0001625200000000, -0.0000043800000000 ] - [ 0.0003350000000000, -0.0001625200000000, 0.0000043800000000 ] - [ 0.0003889700000000, 0.0001612700000000, -0.0000308700000000 ] - [ -0.0003889700000000, 0.0001612700000000, 0.0000308700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006379200000000, -0.0000473500000000, 0.0003893700000000 ] - [ -0.0006379200000000, -0.0000473500000000, -0.0003893700000000 ] - [ -0.0008732700000000, 0.0000239800000000, -0.0003065100000000 ] - [ 0.0008732700000000, 0.0000239800000000, 0.0003065100000000 ] - [ 0.0004756600000000, -0.0009561400000000, 0.0004128900000000 ] - [ -0.0004756600000000, -0.0009561400000000, -0.0004128900000000 ] - [ 0.0002424000000000, -0.0000710400000000, -0.0004863700000000 ] - [ -0.0002424000000000, -0.0000710400000000, 0.0004863700000000 ] - [ 0.0004944000000000, 0.0011575800000000, 0.0000167200000000 ] - [ -0.0004944000000000, 0.0011575800000000, -0.0000167200000000 ] - [ -0.0001844100000000, 0.0011325800000000, -0.0006270200000000 ] - [ 0.0001844100000000, 0.0011325800000000, 0.0006270200000000 ] - [ 0.0009821300000000, -0.0002550500000000, 0.0011545700000000 ] - [ -0.0009821300000000, -0.0002550500000000, -0.0011545700000000 ] - [ -0.0008296500000000, -0.0005952700000000, -0.0001213300000000 ] - [ 0.0008296500000000, -0.0005952700000000, 0.0001213300000000 ] - [ 0.0004069900000000, -0.0007193300000000, 0.0005994700000000 ] - [ -0.0004069900000000, -0.0007193300000000, -0.0005994700000000 ] - [ 0.0001853400000000, 0.0002627300000000, -0.0006484800000000 ] - [ -0.0001853400000000, 0.0002627300000000, 0.0006484800000000 ] - [ 0.0005991500000000, -0.0005452900000000, 0.0004796200000000 ] - [ -0.0005991500000000, -0.0005452900000000, -0.0004796200000000 ] - [ -0.0006151200000000, 0.0005453500000000, -0.0004250700000000 ] - [ 0.0006151200000000, 0.0005453500000000, 0.0004250700000000 ] - [ -0.0005785500000000, 0.0002642400000000, 0.0003758300000000 ] - [ 0.0005785500000000, 0.0002642400000000, -0.0003758300000000 ] - [ 0.0003983900000000, -0.0002831200000000, -0.0002811500000000 ] - [ -0.0003983900000000, -0.0002831200000000, 0.0002811500000000 ] - [ -0.0001588200000000, -0.0001300500000000, -0.0001915800000000 ] - [ 0.0001588200000000, -0.0001300500000000, 0.0001915800000000 ] - [ 0.0001113900000000, -0.0000442100000000, 0.0002739400000000 ] - [ -0.0001113900000000, -0.0000442100000000, -0.0002739400000000 ] - [ -0.0003860500000000, 0.0004081900000000, 0.0004113700000000 ] - [ 0.0003860500000000, 0.0004081900000000, -0.0004113700000000 ] - [ 0.0039348400000000, -0.0022125400000000, -0.0009180600000000 ] - [ -0.0039348400000000, -0.0022125400000000, 0.0009180600000000 ] - [ -0.0010845500000000, 0.0002265200000000, 0.0002708300000000 ] - [ 0.0010845500000000, 0.0002265200000000, -0.0002708300000000 ] - [ 0.0000132300000000, 0.0003163800000000, -0.0000308900000000 ] - [ -0.0000132300000000, 0.0003163800000000, 0.0000308900000000 ] - [ 0.0004869200000000, 0.0002517100000000, 0.0000212200000000 ] - [ -0.0004869200000000, 0.0002517100000000, -0.0000212200000000 ] - [ -0.0001145300000000, 0.0004372200000000, 0.0004818500000000 ] - [ 0.0001145300000000, 0.0004372200000000, -0.0004818500000000 ] - [ 0.0053211900000000, -0.0053962000000000, 0.0016762200000000 ] - [ -0.0053211900000000, -0.0053962000000000, -0.0016762200000000 ] - [ -0.0002184600000000, 0.0004378300000000, -0.0002800000000000 ] - [ 0.0002184600000000, 0.0004378300000000, 0.0002800000000000 ] - [ -0.0003383100000000, 0.0002734800000000, 0.0001792000000000 ] - [ 0.0003383100000000, 0.0002734800000000, -0.0001792000000000 ] - [ 0.0003517900000000, -0.0002464700000000, -0.0002957700000000 ] - [ -0.0003517900000000, -0.0002464700000000, 0.0002957700000000 ] - [ -0.0000493100000000, -0.0001881800000000, -0.0002153000000000 ] - [ 0.0000493100000000, -0.0001881800000000, 0.0002153000000000 ] - [ 0.0001772800000000, 0.0004082400000000, 0.0002029200000000 ] - [ -0.0001772800000000, 0.0004082400000000, -0.0002029200000000 ] - [ -0.0004864800000000, 0.0004865900000000, 0.0003829200000000 ] - [ 0.0004864800000000, 0.0004865900000000, -0.0003829200000000 ] - [ 0.0002717100000000, -0.0004104000000000, -0.0004808200000000 ] - [ -0.0002717100000000, -0.0004104000000000, 0.0004808200000000 ] - [ -0.0004232600000000, 0.0000161300000000, 0.0000603800000000 ] - [ 0.0004232600000000, 0.0000161300000000, -0.0000603800000000 ] - [ 0.0001132600000000, 0.0000415200000000, -0.0002336700000000 ] - [ -0.0001132600000000, 0.0000415200000000, 0.0002336700000000 ] - [ 0.0003287700000000, -0.0000933700000000, -0.0001057500000000 ] - [ -0.0003287700000000, -0.0000933700000000, 0.0001057500000000 ] - [ -0.0002687200000000, 0.0000444400000000, 0.0001564100000000 ] - [ 0.0002687200000000, 0.0000444400000000, -0.0001564100000000 ] - [ 0.0001882000000000, -0.0004421700000000, 0.0003439000000000 ] - [ -0.0001882000000000, -0.0004421700000000, -0.0003439000000000 ] - [ -0.0001602300000000, 0.0006847600000000, -0.0000956300000000 ] - [ 0.0001602300000000, 0.0006847600000000, 0.0000956300000000 ] - [ 0.0000000000000000, 0.0144819400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004928100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036287800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002566300000000, 0.0000000000000000 ] - [ -0.0002493000000000, -0.0004737000000000, 0.0002772100000000 ] - [ 0.0002493000000000, -0.0004737000000000, -0.0002772100000000 ] - [ 0.0015021600000000, 0.0001795400000000, -0.0014602500000000 ] - [ -0.0015021600000000, 0.0001795400000000, 0.0014602500000000 ] - [ 0.0000000000000000, -0.0005590300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004688400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003771100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003630700000000, 0.0000000000000000 ] - [ -0.0004142000000000, -0.0001246700000000, 0.0000006500000000 ] - [ 0.0004142000000000, -0.0001246700000000, -0.0000006500000000 ] - [ 0.0003587100000000, 0.0001289500000000, 0.0000288800000000 ] - [ -0.0003587100000000, 0.0001289500000000, -0.0000288800000000 ]- atom: 73 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0007897700000000, 0.0000549600000000, 0.0002950500000000 ] - [ -0.0006405900000000, -0.0002145800000000, -0.0002327600000000 ] - [ -0.0008298800000000, -0.0000247900000000, -0.0001935100000000 ] - [ 0.0006529600000000, 0.0001731300000000, 0.0003131900000000 ] - [ -0.0008044900000000, -0.0002590800000000, -0.0004288000000000 ] - [ -0.0004054200000000, -0.0002679500000000, -0.0016188600000000 ] - [ 0.0009211700000000, 0.0004201300000000, 0.0006969200000000 ] - [ 0.0005198500000000, 0.0001118400000000, 0.0018842300000000 ] - [ 0.0021476400000000, 0.0001622900000000, -0.0000276400000000 ] - [ 0.0009763000000000, -0.0011786900000000, -0.0008211300000000 ] - [ -0.0008977400000000, 0.0001107100000000, 0.0000747300000000 ] - [ 0.0002719600000000, 0.0009364400000000, 0.0008616500000000 ] - [ 0.0012710800000000, -0.0011908200000000, -0.0000379200000000 ] - [ -0.0001914000000000, 0.0010405600000000, -0.0005576000000000 ] - [ -0.0010619900000000, 0.0008658300000000, -0.0002072600000000 ] - [ 0.0003778100000000, -0.0006894700000000, 0.0002871600000000 ] - [ -0.0002830100000000, -0.0002533600000000, 0.0006109500000000 ] - [ 0.0001274100000000, -0.0002657600000000, -0.0005909500000000 ] - [ 0.0002340700000000, 0.0001120700000000, -0.0004197200000000 ] - [ -0.0001762500000000, 0.0004272800000000, 0.0007658900000000 ] - [ 0.0005738800000000, -0.0004971300000000, 0.0002704300000000 ] - [ -0.0005953600000000, -0.0005264700000000, -0.0005539000000000 ] - [ -0.0006137500000000, 0.0004536300000000, -0.0003056500000000 ] - [ 0.0005491300000000, 0.0005741100000000, 0.0004754000000000 ] - [ -0.0001943300000000, 0.0002975800000000, 0.0002602500000000 ] - [ 0.0005640800000000, 0.0002364100000000, -0.0003469700000000 ] - [ 0.0001578100000000, -0.0001964600000000, -0.0002041700000000 ] - [ -0.0005869000000000, -0.0003150000000000, 0.0003996000000000 ] - [ -0.0000315700000000, 0.0000633400000000, -0.0002027700000000 ] - [ 0.0001068800000000, -0.0003600400000000, 0.0001979000000000 ] - [ 0.0001376100000000, 0.0000893000000000, 0.0002379700000000 ] - [ -0.0000181900000000, 0.0001606800000000, -0.0001755500000000 ] - [ -0.0004394600000000, 0.0004427300000000, 0.0004177300000000 ] - [ 0.0003761300000000, 0.0004681500000000, -0.0004251000000000 ] - [ 0.0009363000000000, -0.0006927600000000, -0.0009007600000000 ] - [ 0.0001628000000000, -0.0001752200000000, -0.0000129700000000 ] - [ 0.0007501100000000, -0.0006436600000000, 0.0003756800000000 ] - [ 0.0010966600000000, 0.0006328800000000, -0.0001355500000000 ] - [ -0.0005378200000000, 0.0002378500000000, 0.0014394600000000 ] - [ -0.0009498700000000, -0.0002007900000000, 0.0018490200000000 ] - [ 0.0002631500000000, -0.0002168200000000, -0.0000887200000000 ] - [ -0.0003945500000000, 0.0000574100000000, 0.0001277900000000 ] - [ -0.0003794500000000, -0.0004221100000000, -0.0000604000000000 ] - [ 0.0002285000000000, 0.0005607000000000, -0.0002953100000000 ] - [ 0.0017451600000000, -0.0015171100000000, 0.0007988900000000 ] - [ 0.0014380600000000, 0.0002642500000000, 0.0004001200000000 ] - [ 0.0001118700000000, 0.0004484600000000, -0.0007735200000000 ] - [ 0.0003989800000000, 0.0007617400000000, -0.0003559400000000 ] - [ -0.0003089100000000, 0.0001858400000000, 0.0004004500000000 ] - [ 0.0004398800000000, 0.0003384000000000, -0.0002220500000000 ] - [ 0.0003324600000000, -0.0001820900000000, -0.0003734800000000 ] - [ -0.0004454200000000, -0.0003337500000000, 0.0002220600000000 ] - [ -0.0002774000000000, -0.0002989200000000, -0.0001500300000000 ] - [ -0.0001299200000000, 0.0000009200000000, 0.0002634200000000 ] - [ 0.0003985100000000, 0.0002121700000000, 0.0001268800000000 ] - [ 0.0002682200000000, 0.0000413100000000, -0.0002700800000000 ] - [ -0.0009437500000000, 0.0005601700000000, 0.0001281200000000 ] - [ -0.0001273400000000, 0.0003328700000000, -0.0007325000000000 ] - [ 0.0005135800000000, -0.0004620700000000, -0.0003513400000000 ] - [ -0.0002691600000000, -0.0004437400000000, 0.0005439700000000 ] - [ -0.0002918900000000, 0.0000257400000000, 0.0002713600000000 ] - [ 0.0000479200000000, -0.0000646700000000, -0.0002378100000000 ] - [ 0.0001753900000000, -0.0000268300000000, -0.0002678300000000 ] - [ -0.0001768400000000, 0.0000560700000000, 0.0002193400000000 ] - [ 0.0002407400000000, -0.0000522800000000, -0.0001517600000000 ] - [ -0.0003963500000000, -0.0000936500000000, 0.0000780900000000 ] - [ -0.0003565100000000, 0.0001032000000000, 0.0000919700000000 ] - [ 0.0002694200000000, 0.0000420700000000, -0.0001411300000000 ] - [ 0.0001008500000000, -0.0004635500000000, 0.0004418300000000 ] - [ -0.0002076600000000, -0.0007455100000000, 0.0000505500000000 ] - [ -0.0001855700000000, 0.0004421100000000, -0.0004591700000000 ] - [ 0.0000972100000000, 0.0007713900000000, -0.0000370100000000 ] - [ -0.0033159000000000, -0.0004796200000000, -0.0066534500000000 ] - [ -0.0000838100000000, 0.0005068300000000, 0.0003645700000000 ] - [ -0.0001101900000000, 0.0003409700000000, -0.0008121000000000 ] - [ -0.0001787200000000, -0.0003481300000000, 0.0005226000000000 ] - [ -0.0002398700000000, -0.0002959600000000, 0.0001732700000000 ] - [ 0.0005125700000000, 0.0000007400000000, 0.0001808000000000 ] - [ -0.0015739600000000, 0.0015161000000000, 0.0018213000000000 ] - [ -0.0023380300000000, -0.0012373200000000, 0.0018262200000000 ] - [ 0.0000640300000000, -0.0005071500000000, -0.0000724800000000 ] - [ 0.0001840700000000, 0.0005068200000000, 0.0001273600000000 ] - [ 0.0001777800000000, 0.0003471500000000, -0.0001273100000000 ] - [ 0.0000320000000000, -0.0003486100000000, 0.0000879300000000 ] - [ -0.0003324300000000, -0.0001357100000000, 0.0000345900000000 ] - [ 0.0004153600000000, -0.0001611100000000, 0.0000413000000000 ] - [ 0.0004575800000000, 0.0001434800000000, -0.0000109800000000 ] - [ -0.0002930400000000, 0.0001499500000000, -0.0000141000000000 ]- atom: 75 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0008380200000000, -0.0002675400000000, 0.0003735900000000 ] - [ -0.0005928900000000, 0.0001077900000000, -0.0001532200000000 ] - [ -0.0004662900000000, 0.0000301100000000, -0.0002859100000000 ] - [ 0.0010079000000000, 0.0001206600000000, 0.0002231100000000 ] - [ 0.0016108200000000, 0.0011839700000000, -0.0001879800000000 ] - [ 0.0020479400000000, -0.0017325000000000, -0.0013973300000000 ] - [ 0.0000870600000000, 0.0001849400000000, -0.0007933300000000 ] - [ -0.0003176600000000, 0.0003458100000000, 0.0003979800000000 ] - [ 0.0008430200000000, -0.0010743400000000, 0.0013716700000000 ] - [ -0.0003265900000000, 0.0000665600000000, 0.0005748800000000 ] - [ -0.0004058500000000, 0.0005478200000000, -0.0003359100000000 ] - [ 0.0007633700000000, 0.0004956700000000, 0.0004545200000000 ] - [ 0.0005717000000000, 0.0002583900000000, 0.0003327400000000 ] - [ -0.0008751200000000, -0.0004020400000000, -0.0001961900000000 ] - [ -0.0017043000000000, -0.0001819000000000, -0.0015192400000000 ] - [ -0.0002795900000000, 0.0003553800000000, -0.0010273700000000 ] - [ -0.0001092700000000, -0.0001319700000000, 0.0005674700000000 ] - [ 0.0002909600000000, -0.0003873700000000, -0.0006295900000000 ] - [ 0.0001864800000000, 0.0002755100000000, -0.0004958400000000 ] - [ -0.0002138200000000, 0.0002613700000000, 0.0006886500000000 ] - [ 0.0015159500000000, -0.0007461800000000, 0.0005030100000000 ] - [ 0.0003426000000000, -0.0002645000000000, -0.0003159800000000 ] - [ -0.0005314100000000, 0.0006184600000000, -0.0001499400000000 ] - [ 0.0006285500000000, 0.0003994500000000, 0.0006276000000000 ] - [ -0.0005091800000000, 0.0002216400000000, 0.0003914600000000 ] - [ 0.0002468600000000, 0.0003147700000000, -0.0002104200000000 ] - [ 0.0004179300000000, -0.0002603300000000, -0.0002606000000000 ] - [ -0.0003257700000000, -0.0002508300000000, 0.0003397100000000 ] - [ -0.0001987800000000, 0.0000678200000000, 0.0000255000000000 ] - [ -0.0000627700000000, -0.0003577200000000, 0.0004293000000000 ] - [ -0.0001204700000000, 0.0000851500000000, 0.0000590400000000 ] - [ -0.0002743000000000, 0.0001627100000000, -0.0003632000000000 ] - [ -0.0003608900000000, 0.0002867700000000, 0.0006485900000000 ] - [ 0.0004524200000000, 0.0006258600000000, -0.0001847700000000 ] - [ 0.0003450800000000, -0.0003532200000000, -0.0005459200000000 ] - [ -0.0004436300000000, -0.0005302100000000, 0.0003363600000000 ] - [ 0.0001591700000000, 0.0007008700000000, -0.0006666700000000 ] - [ 0.0005220200000000, -0.0007178900000000, -0.0011810900000000 ] - [ 0.0003742500000000, -0.0000197300000000, -0.0003122100000000 ] - [ 0.0000040800000000, 0.0000608200000000, 0.0001920600000000 ] - [ 0.0006725000000000, 0.0001570400000000, -0.0002706000000000 ] - [ 0.0000132200000000, -0.0003182800000000, -0.0000516300000000 ] - [ 0.0001198700000000, -0.0011344300000000, 0.0011344500000000 ] - [ 0.0007238700000000, 0.0012628200000000, 0.0008851900000000 ] - [ 0.0042719100000000, 0.0027710200000000, 0.0012386200000000 ] - [ 0.0041087900000000, -0.0041454000000000, 0.0008994500000000 ] - [ 0.0001400400000000, 0.0007164200000000, -0.0001535800000000 ] - [ 0.0004316200000000, 0.0004982900000000, 0.0002619900000000 ] - [ -0.0003405200000000, 0.0002743500000000, 0.0002741000000000 ] - [ 0.0004047400000000, 0.0002497800000000, -0.0003424800000000 ] - [ 0.0077287500000000, -0.0042734900000000, -0.0025937200000000 ] - [ 0.0072305400000000, 0.0038745400000000, -0.0021102200000000 ] - [ -0.0000484900000000, 0.0000791300000000, -0.0002301900000000 ] - [ 0.0000988500000000, -0.0003822700000000, 0.0001852000000000 ] - [ 0.0000782900000000, 0.0001038500000000, 0.0001246600000000 ] - [ -0.0000519600000000, 0.0001506800000000, -0.0002747000000000 ] - [ -0.0004527700000000, 0.0003930900000000, 0.0003116100000000 ] - [ 0.0003605500000000, 0.0004985300000000, -0.0005427800000000 ] - [ 0.0003674400000000, -0.0003426800000000, -0.0004775500000000 ] - [ -0.0004142500000000, -0.0005628200000000, 0.0004116900000000 ] - [ -0.0003933600000000, 0.0000459900000000, 0.0002407000000000 ] - [ -0.0000469400000000, -0.0000820200000000, -0.0002691200000000 ] - [ -0.0004257500000000, -0.0000015800000000, -0.0000238800000000 ] - [ -0.0007802700000000, 0.0000262700000000, 0.0004619500000000 ] - [ 0.0000350000000000, 0.0000318000000000, -0.0001950300000000 ] - [ -0.0006075600000000, -0.0001821200000000, 0.0000361800000000 ] - [ -0.0006174100000000, 0.0001885500000000, -0.0000942900000000 ] - [ 0.0000144200000000, -0.0000401600000000, -0.0003279600000000 ] - [ 0.0000488300000000, -0.0007197800000000, 0.0000252400000000 ] - [ -0.0002637400000000, -0.0004930300000000, -0.0003657200000000 ] - [ -0.0003819000000000, 0.0006365700000000, -0.0000678600000000 ] - [ -0.0000946400000000, 0.0005810500000000, 0.0003522900000000 ] - [ -0.0012101900000000, -0.0005013800000000, -0.0001427000000000 ] - [ -0.0006537000000000, 0.0005061600000000, -0.0001939300000000 ] - [ -0.0278278100000000, 0.0003874300000000, 0.0000970200000000 ] - [ -0.0004215800000000, -0.0003472300000000, 0.0000710800000000 ] - [ -0.0001687700000000, -0.0000873400000000, 0.0022303400000000 ] - [ 0.0005749400000000, -0.0002090000000000, 0.0022464400000000 ] - [ -0.0000032200000000, 0.0001293200000000, -0.0001027200000000 ] - [ -0.0007490400000000, 0.0001651400000000, -0.0001062700000000 ] - [ 0.0005637100000000, -0.0005073600000000, 0.0001865600000000 ] - [ 0.0004579800000000, 0.0005069400000000, 0.0000446200000000 ] - [ 0.0004464300000000, 0.0003463300000000, -0.0000222100000000 ] - [ 0.0004903000000000, -0.0003471700000000, -0.0001619500000000 ] - [ -0.0000485000000000, -0.0001215600000000, -0.0000187900000000 ] - [ 0.0006992100000000, -0.0001762300000000, -0.0000114200000000 ] - [ 0.0007667000000000, 0.0001742700000000, 0.0000555100000000 ] - [ 0.0000163200000000, 0.0001199200000000, 0.0000519200000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007762700000000, -0.0000600300000000, 0.0002818800000000 ] - [ -0.0007762700000000, -0.0000600300000000, -0.0002818800000000 ] - [ -0.0007496000000000, 0.0000197200000000, -0.0002100500000000 ] - [ 0.0007496000000000, 0.0000197200000000, 0.0002100500000000 ] - [ 0.0009138600000000, -0.0014639500000000, -0.0000560600000000 ] - [ -0.0009138600000000, -0.0014639500000000, 0.0000560600000000 ] - [ 0.0001473000000000, 0.0001437300000000, -0.0006116200000000 ] - [ -0.0001473000000000, 0.0001437300000000, 0.0006116200000000 ] - [ 0.0004122200000000, 0.0003780700000000, -0.0001161000000000 ] - [ -0.0004122200000000, 0.0003780700000000, 0.0001161000000000 ] - [ -0.0000761000000000, 0.0011284200000000, -0.0007036800000000 ] - [ 0.0000761000000000, 0.0011284200000000, 0.0007036800000000 ] - [ 0.0013734300000000, 0.0004196300000000, 0.0002245400000000 ] - [ -0.0013734300000000, 0.0004196300000000, -0.0002245400000000 ] - [ -0.0006912600000000, -0.0008921800000000, 0.0002461800000000 ] - [ 0.0006912600000000, -0.0008921800000000, -0.0002461800000000 ] - [ -0.0002875800000000, -0.0003888700000000, 0.0006410100000000 ] - [ 0.0002875800000000, -0.0003888700000000, -0.0006410100000000 ] - [ 0.0002842000000000, 0.0002908300000000, -0.0006856200000000 ] - [ -0.0002842000000000, 0.0002908300000000, 0.0006856200000000 ] - [ 0.0000456700000000, -0.0000172500000000, 0.0005831400000000 ] - [ -0.0000456700000000, -0.0000172500000000, -0.0005831400000000 ] - [ -0.0006148800000000, 0.0005495800000000, -0.0003163200000000 ] - [ 0.0006148800000000, 0.0005495800000000, 0.0003163200000000 ] - [ -0.0006550200000000, 0.0002722800000000, 0.0003984600000000 ] - [ 0.0006550200000000, 0.0002722800000000, -0.0003984600000000 ] - [ 0.0003545000000000, -0.0002824000000000, -0.0002944000000000 ] - [ -0.0003545000000000, -0.0002824000000000, 0.0002944000000000 ] - [ -0.0001544900000000, 0.0000532300000000, -0.0001811300000000 ] - [ 0.0001544900000000, 0.0000532300000000, 0.0001811300000000 ] - [ 0.0000663000000000, 0.0000401000000000, 0.0001440600000000 ] - [ -0.0000663000000000, 0.0000401000000000, -0.0001440600000000 ] - [ -0.0004070900000000, 0.0004759800000000, 0.0002908900000000 ] - [ 0.0004070900000000, 0.0004759800000000, -0.0002908900000000 ] - [ 0.0005055100000000, -0.0005011400000000, -0.0005355900000000 ] - [ -0.0005055100000000, -0.0005011400000000, 0.0005355900000000 ] - [ -0.0004458000000000, 0.0004070800000000, -0.0004606900000000 ] - [ 0.0004458000000000, 0.0004070800000000, 0.0004606900000000 ] - [ 0.0001998400000000, -0.0001599500000000, -0.0001580400000000 ] - [ -0.0001998400000000, -0.0001599500000000, 0.0001580400000000 ] - [ 0.0005406500000000, -0.0003016200000000, 0.0001959500000000 ] - [ -0.0005406500000000, -0.0003016200000000, -0.0001959500000000 ] - [ -0.0015827600000000, 0.0054991900000000, -0.0051248900000000 ] - [ 0.0015827600000000, 0.0054991900000000, 0.0051248900000000 ] - [ 0.0029784700000000, 0.0022029400000000, 0.0015132200000000 ] - [ -0.0029784700000000, 0.0022029400000000, -0.0015132200000000 ] - [ -0.0002022300000000, 0.0005352100000000, -0.0002534300000000 ] - [ 0.0002022300000000, 0.0005352100000000, 0.0002534300000000 ] - [ -0.0004100800000000, 0.0002498000000000, 0.0003464000000000 ] - [ 0.0004100800000000, 0.0002498000000000, -0.0003464000000000 ] - [ -0.0032331600000000, 0.0007653000000000, 0.0006072200000000 ] - [ 0.0032331600000000, 0.0007653000000000, -0.0006072200000000 ] - [ -0.0000385800000000, -0.0001894000000000, -0.0001787300000000 ] - [ 0.0000385800000000, -0.0001894000000000, 0.0001787300000000 ] - [ 0.0001656600000000, 0.0002805800000000, 0.0001437200000000 ] - [ -0.0001656600000000, 0.0002805800000000, -0.0001437200000000 ] - [ -0.0004051400000000, 0.0004428400000000, 0.0004083000000000 ] - [ 0.0004051400000000, 0.0004428400000000, -0.0004083000000000 ] - [ 0.0002354800000000, -0.0004063500000000, -0.0004472200000000 ] - [ -0.0002354800000000, -0.0004063500000000, 0.0004472200000000 ] - [ -0.0001643800000000, -0.0000327000000000, 0.0002531200000000 ] - [ 0.0001643800000000, -0.0000327000000000, -0.0002531200000000 ] - [ 0.0003564600000000, 0.0001075800000000, -0.0004116500000000 ] - [ -0.0003564600000000, 0.0001075800000000, 0.0004116500000000 ] - [ 0.0003136800000000, -0.0000587600000000, -0.0001157300000000 ] - [ -0.0003136800000000, -0.0000587600000000, 0.0001157300000000 ] - [ -0.0003082600000000, 0.0000742000000000, 0.0001457300000000 ] - [ 0.0003082600000000, 0.0000742000000000, -0.0001457300000000 ] - [ 0.0002557100000000, -0.0005456000000000, 0.0002089400000000 ] - [ -0.0002557100000000, -0.0005456000000000, -0.0002089400000000 ] - [ -0.0001903600000000, 0.0006065900000000, -0.0001656100000000 ] - [ 0.0001903600000000, 0.0006065900000000, 0.0001656100000000 ] - [ 0.0000000000000000, 0.0034759600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004117700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0219069400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001122100000000, 0.0000000000000000 ] - [ -0.0002432900000000, -0.0009864600000000, 0.0003848100000000 ] - [ 0.0002432900000000, -0.0009864600000000, -0.0003848100000000 ] - [ 0.0004969400000000, 0.0004543700000000, -0.0000221500000000 ] - [ -0.0004969400000000, 0.0004543700000000, 0.0000221500000000 ] - [ 0.0000000000000000, -0.0005326500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005148200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003639800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003895900000000, 0.0000000000000000 ] - [ -0.0003781700000000, -0.0001253300000000, -0.0000051900000000 ] - [ 0.0003781700000000, -0.0001253300000000, 0.0000051900000000 ] - [ 0.0003964100000000, 0.0001021700000000, 0.0000263900000000 ] - [ -0.0003964100000000, 0.0001021700000000, -0.0000263900000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007095200000000, -0.0000601300000000, 0.0002852700000000 ] - [ -0.0007095200000000, -0.0000601300000000, -0.0002852700000000 ] - [ -0.0007735500000000, 0.0000967800000000, -0.0003023600000000 ] - [ 0.0007735500000000, 0.0000967800000000, 0.0003023600000000 ] - [ -0.0013182900000000, 0.0009848400000000, 0.0013324500000000 ] - [ 0.0013182900000000, 0.0009848400000000, -0.0013324500000000 ] - [ 0.0002878700000000, 0.0003499000000000, -0.0006579200000000 ] - [ -0.0002878700000000, 0.0003499000000000, 0.0006579200000000 ] - [ 0.0007976600000000, -0.0014818100000000, 0.0009910400000000 ] - [ -0.0007976600000000, -0.0014818100000000, -0.0009910400000000 ] - [ -0.0011267200000000, 0.0000197100000000, -0.0001232500000000 ] - [ 0.0011267200000000, 0.0000197100000000, 0.0001232500000000 ] - [ 0.0001190800000000, -0.0005043000000000, 0.0003249300000000 ] - [ -0.0001190800000000, -0.0005043000000000, -0.0003249300000000 ] - [ -0.0008087500000000, 0.0009996100000000, -0.0007427400000000 ] - [ 0.0008087500000000, 0.0009996100000000, 0.0007427400000000 ] - [ -0.0001142200000000, -0.0000838800000000, 0.0006113700000000 ] - [ 0.0001142200000000, -0.0000838800000000, -0.0006113700000000 ] - [ 0.0001630900000000, 0.0001862600000000, -0.0005817700000000 ] - [ -0.0001630900000000, 0.0001862600000000, 0.0005817700000000 ] - [ 0.0011674800000000, -0.0010819900000000, 0.0003047400000000 ] - [ -0.0011674800000000, -0.0010819900000000, -0.0003047400000000 ] - [ -0.0005856900000000, 0.0005868300000000, -0.0005098100000000 ] - [ 0.0005856900000000, 0.0005868300000000, 0.0005098100000000 ] - [ -0.0000944600000000, 0.0002596600000000, 0.0002099600000000 ] - [ 0.0000944600000000, 0.0002596600000000, -0.0002099600000000 ] - [ 0.0004109000000000, -0.0002256900000000, -0.0003123400000000 ] - [ -0.0004109000000000, -0.0002256900000000, 0.0003123400000000 ] - [ 0.0000175900000000, -0.0003628900000000, -0.0002309200000000 ] - [ -0.0000175900000000, -0.0003628900000000, 0.0002309200000000 ] - [ 0.0000811800000000, 0.0002007000000000, 0.0002647800000000 ] - [ -0.0000811800000000, 0.0002007000000000, -0.0002647800000000 ] - [ -0.0004034800000000, 0.0004283900000000, 0.0005437100000000 ] - [ 0.0004034800000000, 0.0004283900000000, -0.0005437100000000 ] - [ 0.0002688300000000, -0.0003948300000000, -0.0003639500000000 ] - [ -0.0002688300000000, -0.0003948300000000, 0.0003639500000000 ] - [ 0.0001039600000000, -0.0004352500000000, 0.0009895200000000 ] - [ -0.0001039600000000, -0.0004352500000000, -0.0009895200000000 ] - [ 0.0001559000000000, 0.0002027700000000, -0.0003322000000000 ] - [ -0.0001559000000000, 0.0002027700000000, 0.0003322000000000 ] - [ 0.0001012400000000, 0.0001476000000000, -0.0004296000000000 ] - [ -0.0001012400000000, 0.0001476000000000, 0.0004296000000000 ] - [ 0.0009440300000000, -0.0052283000000000, 0.0052166100000000 ] - [ -0.0009440300000000, -0.0052283000000000, -0.0052166100000000 ] - [ -0.0027444600000000, -0.0034956900000000, -0.0011668200000000 ] - [ 0.0027444600000000, -0.0034956900000000, 0.0011668200000000 ] - [ -0.0001177700000000, 0.0006636000000000, -0.0001781200000000 ] - [ 0.0001177700000000, 0.0006636000000000, 0.0001781200000000 ] - [ -0.0003505600000000, 0.0002816900000000, 0.0002767600000000 ] - [ 0.0003505600000000, 0.0002816900000000, -0.0002767600000000 ] - [ 0.0039877000000000, -0.0012765900000000, -0.0012050600000000 ] - [ -0.0039877000000000, -0.0012765900000000, 0.0012050600000000 ] - [ -0.0000992000000000, -0.0001264300000000, -0.0002271100000000 ] - [ 0.0000992000000000, -0.0001264300000000, 0.0002271100000000 ] - [ -0.0000400500000000, -0.0000223500000000, 0.0002494000000000 ] - [ 0.0000400500000000, -0.0000223500000000, -0.0002494000000000 ] - [ -0.0004056700000000, 0.0004667800000000, 0.0004550700000000 ] - [ 0.0004056700000000, 0.0004667800000000, -0.0004550700000000 ] - [ 0.0005267900000000, -0.0005071000000000, -0.0004759800000000 ] - [ -0.0005267900000000, -0.0005071000000000, 0.0004759800000000 ] - [ -0.0001509600000000, -0.0000065900000000, 0.0002477500000000 ] - [ 0.0001509600000000, -0.0000065900000000, -0.0002477500000000 ] - [ -0.0000316700000000, -0.0000711300000000, -0.0000650000000000 ] - [ 0.0000316700000000, -0.0000711300000000, 0.0000650000000000 ] - [ 0.0003097700000000, -0.0000884700000000, -0.0001309500000000 ] - [ -0.0003097700000000, -0.0000884700000000, 0.0001309500000000 ] - [ -0.0002972200000000, 0.0000664500000000, 0.0001033800000000 ] - [ 0.0002972200000000, 0.0000664500000000, -0.0001033800000000 ] - [ 0.0000946600000000, -0.0006403400000000, 0.0001999100000000 ] - [ -0.0000946600000000, -0.0006403400000000, -0.0001999100000000 ] - [ -0.0001360100000000, 0.0005796200000000, -0.0002730800000000 ] - [ 0.0001360100000000, 0.0005796200000000, 0.0002730800000000 ] - [ 0.0000000000000000, -0.0045281100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005875200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0225318400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005765800000000, 0.0000000000000000 ] - [ -0.0005007600000000, 0.0006927900000000, -0.0003710300000000 ] - [ 0.0005007600000000, 0.0006927900000000, 0.0003710300000000 ] - [ 0.0002554000000000, -0.0001691500000000, 0.0000138100000000 ] - [ -0.0002554000000000, -0.0001691500000000, -0.0000138100000000 ] - [ 0.0000000000000000, -0.0004720300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004830200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003259400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003022200000000, 0.0000000000000000 ] - [ -0.0003774400000000, -0.0001622400000000, 0.0000052500000000 ] - [ 0.0003774400000000, -0.0001622400000000, -0.0000052500000000 ] - [ 0.0003566000000000, 0.0001864500000000, -0.0000289500000000 ] - [ -0.0003566000000000, 0.0001864500000000, 0.0000289500000000 ]- atom: 75 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0008721800000000, 0.0000161300000000, 0.0002217900000000 ] - [ -0.0005585800000000, -0.0001817700000000, -0.0003088300000000 ] - [ -0.0007751200000000, 0.0000558100000000, -0.0003090300000000 ] - [ 0.0006999400000000, 0.0000964600000000, 0.0002006400000000 ] - [ -0.0014698700000000, -0.0011294800000000, -0.0008560100000000 ] - [ -0.0010715900000000, 0.0005991100000000, -0.0020330400000000 ] - [ 0.0001610400000000, 0.0002872400000000, -0.0002852800000000 ] - [ -0.0002444900000000, 0.0002488700000000, 0.0008993300000000 ] - [ 0.0006298600000000, -0.0005753000000000, 0.0006340800000000 ] - [ -0.0005302100000000, -0.0004297300000000, -0.0001594100000000 ] - [ -0.0010704700000000, 0.0000947400000000, 0.0005003000000000 ] - [ 0.0000911000000000, 0.0009365500000000, 0.0012798800000000 ] - [ 0.0014392400000000, 0.0002111200000000, 0.0001327200000000 ] - [ -0.0000016700000000, -0.0003538900000000, -0.0003945500000000 ] - [ -0.0012922400000000, 0.0008965700000000, 0.0005821100000000 ] - [ 0.0001466400000000, -0.0007130500000000, 0.0010766000000000 ] - [ -0.0002521700000000, -0.0002147700000000, 0.0003041900000000 ] - [ 0.0001461000000000, -0.0003050400000000, -0.0008910800000000 ] - [ 0.0003481000000000, 0.0002306600000000, -0.0005413300000000 ] - [ -0.0000534500000000, 0.0003065300000000, 0.0006360100000000 ] - [ 0.0005035400000000, -0.0002176500000000, 0.0006338800000000 ] - [ -0.0006680300000000, -0.0007955000000000, -0.0001815300000000 ] - [ -0.0005969800000000, 0.0004044300000000, -0.0001498900000000 ] - [ 0.0005624500000000, 0.0006138700000000, 0.0006261300000000 ] - [ 0.0000770200000000, 0.0002656900000000, 0.0001214300000000 ] - [ 0.0008282500000000, 0.0002717600000000, -0.0004790100000000 ] - [ 0.0003363400000000, -0.0002768800000000, -0.0003149400000000 ] - [ -0.0004029900000000, -0.0002366000000000, 0.0002826700000000 ] - [ -0.0001251000000000, -0.0001700000000000, -0.0002436100000000 ] - [ 0.0000113900000000, -0.0001228300000000, 0.0001621100000000 ] - [ 0.0000176400000000, 0.0000606400000000, 0.0002068100000000 ] - [ -0.0001363900000000, 0.0001858300000000, -0.0002123100000000 ] - [ -0.0005441400000000, 0.0005121100000000, 0.0002841600000000 ] - [ 0.0002738700000000, 0.0003993300000000, -0.0005504800000000 ] - [ 0.0004802900000000, -0.0003644000000000, -0.0004290400000000 ] - [ -0.0003122300000000, -0.0005191800000000, 0.0004496500000000 ] - [ 0.0000794500000000, -0.0014748200000000, 0.0019064100000000 ] - [ 0.0004857900000000, 0.0014183200000000, 0.0013298300000000 ] - [ -0.0000129500000000, 0.0000109400000000, -0.0003410700000000 ] - [ -0.0003869400000000, 0.0000296100000000, 0.0001615500000000 ] - [ 0.0000646100000000, 0.0001391800000000, 0.0003164400000000 ] - [ -0.0005979900000000, -0.0003048200000000, 0.0005344800000000 ] - [ 0.0007917100000000, -0.0044537600000000, 0.0038213500000000 ] - [ 0.0014483500000000, 0.0047356900000000, 0.0036628500000000 ] - [ 0.0008686900000000, 0.0004737600000000, 0.0012099200000000 ] - [ 0.0005780400000000, -0.0017048800000000, 0.0008234200000000 ] - [ -0.0002036200000000, 0.0004081200000000, -0.0006001800000000 ] - [ 0.0000808200000000, 0.0008061300000000, -0.0001868300000000 ] - [ -0.0003317500000000, 0.0002357000000000, 0.0003669800000000 ] - [ 0.0004120900000000, 0.0002908600000000, -0.0002494100000000 ] - [ -0.0027754300000000, 0.0012131200000000, -0.0006439500000000 ] - [ -0.0035343300000000, -0.0017293500000000, -0.0000384400000000 ] - [ -0.0002361600000000, -0.0000369700000000, -0.0001914400000000 ] - [ -0.0000891900000000, -0.0002661200000000, 0.0002233500000000 ] - [ 0.0002265300000000, 0.0002505700000000, 0.0002411700000000 ] - [ 0.0000986400000000, 0.0000026700000000, -0.0001569000000000 ] - [ -0.0004908400000000, 0.0004389900000000, 0.0003249300000000 ] - [ 0.0003269400000000, 0.0004556400000000, -0.0005272500000000 ] - [ 0.0006049000000000, -0.0005690200000000, -0.0003001400000000 ] - [ -0.0001816200000000, -0.0003388600000000, 0.0005870700000000 ] - [ -0.0001527100000000, -0.0000007000000000, 0.0002916800000000 ] - [ 0.0001953100000000, -0.0000334800000000, -0.0002179300000000 ] - [ 0.0003311900000000, -0.0000197700000000, -0.0003273500000000 ] - [ -0.0000277700000000, 0.0000442800000000, 0.0001575300000000 ] - [ 0.0003676900000000, -0.0000998600000000, -0.0000959200000000 ] - [ -0.0002769300000000, -0.0000497000000000, 0.0001343000000000 ] - [ -0.0002457800000000, 0.0000652600000000, 0.0001628000000000 ] - [ 0.0003854600000000, 0.0000811700000000, -0.0000723400000000 ] - [ 0.0002170800000000, -0.0004352400000000, 0.0004370700000000 ] - [ -0.0000923200000000, -0.0007751100000000, 0.0000504900000000 ] - [ -0.0001124700000000, 0.0004294600000000, -0.0005268200000000 ] - [ 0.0001692200000000, 0.0007840000000000, -0.0001058500000000 ] - [ 0.0000050200000000, -0.0004994400000000, -0.0008047500000000 ] - [ 0.0001721800000000, 0.0005040800000000, 0.0005274900000000 ] - [ 0.0007800800000000, 0.0002413900000000, -0.0188419700000000 ] - [ 0.0000777500000000, -0.0003455800000000, 0.0003224800000000 ] - [ 0.0017592100000000, 0.0001027000000000, 0.0028769900000000 ] - [ 0.0025406300000000, -0.0004015600000000, 0.0029070800000000 ] - [ 0.0002586700000000, 0.0000380800000000, -0.0000162000000000 ] - [ -0.0004907900000000, 0.0002560500000000, -0.0000183900000000 ] - [ -0.0001539900000000, -0.0005060100000000, -0.0001308800000000 ] - [ -0.0000485500000000, 0.0005056600000000, 0.0000817900000000 ] - [ -0.0000244600000000, 0.0003455300000000, -0.0000918300000000 ] - [ -0.0001799400000000, -0.0003461700000000, 0.0001506600000000 ] - [ -0.0004456800000000, -0.0001489900000000, 0.0000113800000000 ] - [ 0.0003038700000000, -0.0001479000000000, 0.0000151500000000 ] - [ 0.0003478600000000, 0.0001382300000000, -0.0000222900000000 ] - [ -0.0004048300000000, 0.0001555400000000, -0.0000236500000000 ]- atom: 77 displacement: [ 0.0099999989245170, 0.0000000000000000, -0.0000046378506834 ] forces: - [ 0.0009112700000000, -0.0000842800000000, 0.0002501400000000 ] - [ -0.0006929000000000, -0.0000494400000000, -0.0001898900000000 ] - [ -0.0005879800000000, 0.0000630800000000, -0.0001921500000000 ] - [ 0.0017057200000000, 0.0004845900000000, 0.0001634700000000 ] - [ 0.0000107300000000, -0.0002433300000000, 0.0001338200000000 ] - [ 0.0007648000000000, 0.0000215700000000, 0.0005250700000000 ] - [ 0.0002471900000000, 0.0001806900000000, -0.0008364600000000 ] - [ -0.0010960200000000, 0.0009898900000000, 0.0011374100000000 ] - [ 0.0005759200000000, -0.0006467500000000, 0.0005393200000000 ] - [ -0.0012946300000000, 0.0004755900000000, -0.0015693300000000 ] - [ -0.0004245000000000, 0.0006316100000000, -0.0001877900000000 ] - [ 0.0010563700000000, 0.0003100600000000, -0.0004644300000000 ] - [ 0.0006099500000000, -0.0000543100000000, 0.0002233900000000 ] - [ -0.0028858100000000, -0.0010113400000000, -0.0001561700000000 ] - [ -0.0008920600000000, -0.0000519900000000, -0.0002567000000000 ] - [ 0.0018926800000000, 0.0009717500000000, 0.0000674700000000 ] - [ -0.0001893900000000, -0.0002706300000000, 0.0007156400000000 ] - [ 0.0010815200000000, -0.0006082500000000, -0.0010255900000000 ] - [ 0.0001441100000000, 0.0005143400000000, 0.0001254700000000 ] - [ -0.0001896100000000, 0.0002905800000000, 0.0006266600000000 ] - [ 0.0005535900000000, -0.0004649600000000, 0.0002136600000000 ] - [ -0.0006496000000000, -0.0005113500000000, -0.0004135200000000 ] - [ -0.0005637600000000, 0.0005887100000000, -0.0003805100000000 ] - [ 0.0012797100000000, -0.0001544600000000, 0.0014160800000000 ] - [ -0.0003200800000000, 0.0002959500000000, 0.0003407600000000 ] - [ 0.0000329000000000, 0.0002525500000000, -0.0001058200000000 ] - [ 0.0003708100000000, -0.0002446000000000, -0.0002809300000000 ] - [ -0.0004068300000000, 0.0000656600000000, 0.0002496000000000 ] - [ -0.0001138000000000, -0.0002079700000000, -0.0001702300000000 ] - [ -0.0000090900000000, -0.0001561700000000, 0.0001999600000000 ] - [ 0.0042054100000000, 0.0031107500000000, 0.0015422100000000 ] - [ -0.0001440200000000, 0.0001462600000000, -0.0002254900000000 ] - [ -0.0004147200000000, 0.0002963100000000, 0.0026091200000000 ] - [ 0.0003135800000000, 0.0003860900000000, -0.0005645600000000 ] - [ 0.0003616200000000, -0.0004261300000000, -0.0004579000000000 ] - [ -0.0002973700000000, -0.0006698100000000, 0.0006982100000000 ] - [ 0.0000514000000000, 0.0000157900000000, 0.0003265100000000 ] - [ 0.0003244800000000, -0.0014366500000000, 0.0000839800000000 ] - [ 0.0002680600000000, 0.0000242400000000, -0.0002298400000000 ] - [ 0.0004798900000000, 0.0005494800000000, 0.0000985400000000 ] - [ 0.0035806800000000, 0.0031026000000000, -0.0012081500000000 ] - [ -0.0002356700000000, -0.0000872800000000, 0.0002600000000000 ] - [ 0.0017072800000000, 0.0024985600000000, 0.0015649900000000 ] - [ 0.0004778200000000, 0.0000403800000000, -0.0000970300000000 ] - [ 0.0006037600000000, 0.0006375200000000, -0.0012556100000000 ] - [ -0.0000177100000000, -0.0004113300000000, -0.0004953700000000 ] - [ -0.0001229800000000, 0.0007436700000000, -0.0000326500000000 ] - [ 0.0004159300000000, 0.0007720900000000, 0.0000978200000000 ] - [ -0.0003955300000000, 0.0002681500000000, 0.0002774700000000 ] - [ 0.0002256100000000, -0.0001936200000000, -0.0002536800000000 ] - [ 0.0004102100000000, -0.0003243600000000, -0.0004406000000000 ] - [ -0.0003823800000000, -0.0002296800000000, 0.0003704300000000 ] - [ 0.0061329800000000, -0.0057625500000000, -0.0044346100000000 ] - [ 0.0000939100000000, -0.0001711600000000, 0.0002081100000000 ] - [ -0.0002220700000000, -0.0000349000000000, 0.0002269500000000 ] - [ 0.0000139300000000, 0.0001337700000000, -0.0001598500000000 ] - [ -0.0004466200000000, 0.0004455600000000, 0.0003943200000000 ] - [ 0.0004161800000000, 0.0006907600000000, -0.0005931500000000 ] - [ 0.0004357100000000, -0.0004737800000000, -0.0003939500000000 ] - [ -0.0008513100000000, -0.0005923400000000, 0.0001605900000000 ] - [ -0.0003297000000000, -0.0000078700000000, 0.0002580000000000 ] - [ -0.0000445300000000, -0.0004208000000000, -0.0001411300000000 ] - [ 0.0001565100000000, -0.0000116300000000, -0.0002416400000000 ] - [ -0.0005175300000000, -0.0000685500000000, 0.0002246900000000 ] - [ 0.0000470900000000, 0.0000246600000000, -0.0002328200000000 ] - [ -0.0004821200000000, -0.0001249700000000, 0.0000457200000000 ] - [ -0.0005878300000000, 0.0001187500000000, -0.0000134200000000 ] - [ 0.0001666800000000, 0.0000557500000000, -0.0001937200000000 ] - [ 0.0000532200000000, -0.0007604400000000, 0.0000364800000000 ] - [ -0.0003040600000000, -0.0006732400000000, -0.0000608800000000 ] - [ -0.0004747300000000, 0.0007501300000000, -0.0006292100000000 ] - [ 0.0000289600000000, 0.0005121300000000, 0.0003808100000000 ] - [ -0.0003825100000000, -0.0006279600000000, 0.0001254700000000 ] - [ 0.0002992000000000, -0.0006320400000000, -0.0019562700000000 ] - [ 0.0002013400000000, 0.0004732600000000, 0.0021532500000000 ] - [ -0.0003773100000000, -0.0002229000000000, -0.0001232900000000 ] - [ -0.0192177800000000, -0.0033573200000000, 0.0016623900000000 ] - [ 0.0002717000000000, -0.0001065000000000, -0.0000370000000000 ] - [ 0.0003922400000000, 0.0002961100000000, 0.0000694300000000 ] - [ -0.0005846300000000, 0.0001810300000000, -0.0000363300000000 ] - [ 0.0003998300000000, -0.0004631900000000, 0.0000478100000000 ] - [ 0.0003822700000000, 0.0005169800000000, 0.0000916600000000 ] - [ 0.0003311300000000, 0.0003421700000000, -0.0000683100000000 ] - [ 0.0003895200000000, -0.0003239400000000, -0.0000154700000000 ] - [ -0.0000743500000000, -0.0001136400000000, 0.0000027500000000 ] - [ 0.0005500900000000, -0.0001726800000000, 0.0000292300000000 ] - [ 0.0019945100000000, 0.0002726800000000, -0.0001904600000000 ] - [ -0.0001964800000000, 0.0001188500000000, 0.0000370900000000 ]- atom: 77 displacement: [ -0.0099999989245170, 0.0000000000000000, 0.0000046378506834 ] forces: - [ 0.0005506500000000, -0.0000661800000000, 0.0002895000000000 ] - [ -0.0007433500000000, -0.0001010700000000, -0.0003300000000000 ] - [ -0.0009050300000000, 0.0000799800000000, -0.0003068800000000 ] - [ -0.0002227600000000, -0.0003418600000000, 0.0003569300000000 ] - [ -0.0004209600000000, -0.0002819700000000, 0.0010901600000000 ] - [ -0.0003616100000000, -0.0005429700000000, -0.0017064000000000 ] - [ 0.0001698500000000, 0.0003353600000000, -0.0003750300000000 ] - [ 0.0006891200000000, -0.0004609300000000, 0.0000548700000000 ] - [ 0.0005781900000000, -0.0003576900000000, 0.0002678400000000 ] - [ 0.0001209400000000, -0.0015133300000000, 0.0007742200000000 ] - [ -0.0007356400000000, 0.0004011800000000, -0.0005898000000000 ] - [ 0.0001388200000000, 0.0007672300000000, 0.0012818000000000 ] - [ 0.0008543400000000, -0.0000816400000000, 0.0003165100000000 ] - [ 0.0014199100000000, 0.0008610200000000, -0.0003625400000000 ] - [ -0.0005866600000000, 0.0001916100000000, -0.0002409400000000 ] - [ -0.0004573200000000, -0.0007689500000000, 0.0004323100000000 ] - [ -0.0002297000000000, -0.0002376400000000, 0.0005172300000000 ] - [ -0.0006896800000000, 0.0000760900000000, -0.0001769900000000 ] - [ 0.0002783900000000, 0.0000012100000000, -0.0013369200000000 ] - [ -0.0002141700000000, 0.0002535700000000, 0.0005546400000000 ] - [ 0.0006033800000000, -0.0005354300000000, 0.0005964500000000 ] - [ -0.0005384800000000, -0.0005604400000000, -0.0004281100000000 ] - [ -0.0005892900000000, 0.0004128300000000, -0.0003765700000000 ] - [ -0.0001059800000000, 0.0012203100000000, -0.0005952500000000 ] - [ -0.0004088800000000, 0.0002302800000000, 0.0002502300000000 ] - [ 0.0007534200000000, 0.0002909600000000, -0.0005110900000000 ] - [ 0.0003795600000000, -0.0002366300000000, -0.0003314400000000 ] - [ -0.0003393300000000, -0.0006016500000000, 0.0003411400000000 ] - [ -0.0000114800000000, -0.0000834800000000, -0.0002051600000000 ] - [ 0.0001562900000000, -0.0001365300000000, 0.0002289700000000 ] - [ -0.0041690300000000, -0.0029907200000000, -0.0011552700000000 ] - [ -0.0000102800000000, 0.0001090700000000, -0.0001987700000000 ] - [ -0.0003849000000000, 0.0005849400000000, -0.0017745500000000 ] - [ 0.0004952300000000, 0.0005551300000000, -0.0002909500000000 ] - [ 0.0004018600000000, -0.0004492600000000, -0.0004356900000000 ] - [ -0.0005198100000000, -0.0002235500000000, 0.0001707900000000 ] - [ -0.0004097200000000, -0.0000491500000000, 0.0002015500000000 ] - [ 0.0000810400000000, 0.0014000400000000, -0.0005516200000000 ] - [ 0.0001077700000000, 0.0000153300000000, -0.0002783400000000 ] - [ -0.0008359200000000, -0.0005098800000000, 0.0004047200000000 ] - [ -0.0028107000000000, -0.0031450500000000, 0.0009721400000000 ] - [ -0.0004056000000000, -0.0000667200000000, -0.0000321800000000 ] - [ -0.0023027000000000, -0.0023163300000000, -0.0013187300000000 ] - [ 0.0001372100000000, 0.0001015300000000, -0.0001400700000000 ] - [ -0.0002750900000000, -0.0018668200000000, 0.0016142600000000 ] - [ -0.0002791600000000, -0.0008101600000000, 0.0000977000000000 ] - [ -0.0001846200000000, 0.0004413800000000, -0.0004036100000000 ] - [ -0.0001193000000000, 0.0004674600000000, 0.0002936800000000 ] - [ -0.0003269300000000, 0.0002551100000000, 0.0003215700000000 ] - [ 0.0005485600000000, 0.0007199500000000, -0.0003804700000000 ] - [ 0.0003665900000000, -0.0001687800000000, -0.0001764400000000 ] - [ -0.0003970500000000, -0.0003099100000000, 0.0002069400000000 ] - [ -0.0064201600000000, 0.0056779900000000, 0.0041622400000000 ] - [ 0.0000516700000000, -0.0001400900000000, 0.0002298400000000 ] - [ 0.0003454900000000, 0.0002682600000000, 0.0001635500000000 ] - [ -0.0001539700000000, 0.0001400300000000, -0.0002440700000000 ] - [ -0.0003665400000000, 0.0004277400000000, 0.0004504800000000 ] - [ 0.0003902100000000, 0.0002205800000000, -0.0002777500000000 ] - [ 0.0003304400000000, -0.0004227200000000, -0.0005180400000000 ] - [ 0.0000535500000000, -0.0003239600000000, 0.0007121500000000 ] - [ -0.0000055400000000, -0.0000447400000000, 0.0002803600000000 ] - [ 0.0003958700000000, 0.0003957600000000, -0.0003380300000000 ] - [ 0.0001850500000000, 0.0000520100000000, -0.0002508400000000 ] - [ 0.0001557700000000, 0.0000866900000000, 0.0002576400000000 ] - [ 0.0005963200000000, -0.0001779100000000, 0.0000009600000000 ] - [ -0.0001468000000000, -0.0000192900000000, 0.0001882700000000 ] - [ -0.0000377900000000, 0.0000316900000000, 0.0002524900000000 ] - [ 0.0004534600000000, 0.0000863800000000, -0.0000410600000000 ] - [ 0.0002834200000000, -0.0004624800000000, 0.0003290600000000 ] - [ -0.0000029800000000, -0.0005215600000000, -0.0003612500000000 ] - [ 0.0001649900000000, 0.0004463800000000, 0.0002058200000000 ] - [ 0.0002561200000000, 0.0007130600000000, 0.0000342700000000 ] - [ 0.0003848800000000, -0.0003804800000000, -0.0001221000000000 ] - [ -0.0003185700000000, 0.0016313300000000, 0.0019426500000000 ] - [ -0.0001995200000000, 0.0002210200000000, -0.0021491500000000 ] - [ 0.0003714900000000, -0.0004711700000000, 0.0001271200000000 ] - [ 0.0185091100000000, 0.0028742800000000, -0.0017334300000000 ] - [ 0.0004855100000000, -0.0001872900000000, 0.0000399300000000 ] - [ 0.0003529700000000, -0.0000055400000000, -0.0000658200000000 ] - [ -0.0001670300000000, 0.0001159800000000, 0.0000353000000000 ] - [ -0.0003953600000000, -0.0005452700000000, -0.0000468900000000 ] - [ -0.0003885600000000, 0.0004903600000000, -0.0000945300000000 ] - [ -0.0003165800000000, 0.0003512200000000, 0.0000621500000000 ] - [ -0.0003972300000000, -0.0003712300000000, 0.0000198900000000 ] - [ -0.0006687800000000, -0.0001835900000000, -0.0000094100000000 ] - [ 0.0002034300000000, -0.0001244700000000, -0.0000270300000000 ] - [ -0.0012659300000000, 0.0000179200000000, 0.0001967700000000 ] - [ -0.0005583900000000, 0.0001762400000000, -0.0000378300000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007198400000000, -0.0000094300000000, 0.0003266800000000 ] - [ -0.0006443700000000, -0.0000900100000000, -0.0002434500000000 ] - [ -0.0007160600000000, 0.0000696600000000, -0.0002386700000000 ] - [ 0.0015370600000000, 0.0003956600000000, 0.0001937400000000 ] - [ -0.0000137500000000, -0.0008296600000000, -0.0001193700000000 ] - [ -0.0001494600000000, -0.0002420500000000, -0.0010746900000000 ] - [ 0.0002133800000000, 0.0002795500000000, -0.0005658700000000 ] - [ -0.0003640400000000, 0.0017142500000000, 0.0014875000000000 ] - [ 0.0005490200000000, -0.0004332900000000, 0.0004176900000000 ] - [ -0.0006209500000000, 0.0009243300000000, -0.0018281700000000 ] - [ -0.0004196700000000, 0.0001888800000000, -0.0001082500000000 ] - [ 0.0002740800000000, 0.0007959300000000, 0.0006727000000000 ] - [ 0.0007049400000000, -0.0000541300000000, 0.0002627700000000 ] - [ 0.0002228800000000, 0.0034817100000000, 0.0000431500000000 ] - [ -0.0007736000000000, 0.0001876300000000, -0.0000893300000000 ] - [ 0.0012541700000000, -0.0008915800000000, 0.0005351300000000 ] - [ -0.0001860700000000, -0.0003000100000000, 0.0006397900000000 ] - [ 0.0000720800000000, -0.0000701400000000, -0.0001636300000000 ] - [ 0.0002487400000000, 0.0003561400000000, -0.0008078400000000 ] - [ -0.0002004000000000, 0.0003081800000000, 0.0005300800000000 ] - [ 0.0004611400000000, -0.0004574200000000, 0.0004364700000000 ] - [ -0.0005656100000000, -0.0004448800000000, -0.0003755100000000 ] - [ -0.0005553200000000, 0.0005050000000000, -0.0003674000000000 ] - [ -0.0004173300000000, 0.0003695800000000, -0.0005073100000000 ] - [ -0.0003699900000000, 0.0002595100000000, 0.0003130400000000 ] - [ 0.0005095100000000, 0.0002761200000000, -0.0003606100000000 ] - [ 0.0003813100000000, -0.0002380300000000, -0.0003064500000000 ] - [ -0.0002857600000000, -0.0004598300000000, 0.0001593900000000 ] - [ -0.0000975800000000, -0.0001340300000000, -0.0001875800000000 ] - [ 0.0000843200000000, -0.0000396700000000, 0.0003151800000000 ] - [ 0.0041276100000000, 0.0017310700000000, 0.0014070900000000 ] - [ -0.0000947700000000, 0.0001057400000000, -0.0002149800000000 ] - [ -0.0004337100000000, -0.0001983800000000, -0.0002560100000000 ] - [ 0.0004228700000000, 0.0004172200000000, -0.0004124900000000 ] - [ 0.0003684600000000, -0.0004363100000000, -0.0004677200000000 ] - [ -0.0003186400000000, -0.0005990700000000, 0.0005481800000000 ] - [ -0.0001731600000000, 0.0000305800000000, 0.0003372100000000 ] - [ 0.0001500900000000, 0.0003055000000000, -0.0002061700000000 ] - [ 0.0002219800000000, -0.0000053800000000, -0.0002462800000000 ] - [ -0.0011829400000000, -0.0009742800000000, 0.0006682700000000 ] - [ 0.0029159100000000, 0.0026436300000000, -0.0007093600000000 ] - [ -0.0003265500000000, -0.0000864900000000, 0.0001173900000000 ] - [ 0.0028034400000000, 0.0051141000000000, 0.0023356000000000 ] - [ 0.0003639300000000, 0.0000836000000000, -0.0000746600000000 ] - [ 0.0010472100000000, 0.0022607600000000, -0.0043843600000000 ] - [ -0.0001132000000000, -0.0006331400000000, -0.0002028600000000 ] - [ -0.0000206300000000, 0.0005391600000000, -0.0001746200000000 ] - [ -0.0000975400000000, 0.0004881800000000, 0.0000505600000000 ] - [ -0.0003815100000000, 0.0002723900000000, 0.0002895700000000 ] - [ 0.0006949100000000, -0.0000453600000000, -0.0011643700000000 ] - [ 0.0004979800000000, -0.0002005600000000, -0.0003770300000000 ] - [ -0.0003901100000000, -0.0002843200000000, 0.0003118300000000 ] - [ -0.0065563600000000, 0.0039233500000000, 0.0037973200000000 ] - [ 0.0000773400000000, -0.0001639100000000, 0.0002126600000000 ] - [ -0.0000122000000000, 0.0002259500000000, 0.0001829500000000 ] - [ -0.0000801600000000, 0.0001704000000000, -0.0001866000000000 ] - [ -0.0004089800000000, 0.0004386000000000, 0.0004106600000000 ] - [ 0.0004197600000000, 0.0003276900000000, -0.0002293300000000 ] - [ 0.0003152700000000, -0.0004501200000000, -0.0004893300000000 ] - [ -0.0002335300000000, -0.0004145000000000, 0.0004942200000000 ] - [ -0.0002032700000000, -0.0000244200000000, 0.0002699200000000 ] - [ 0.0000129900000000, -0.0003697500000000, -0.0002222800000000 ] - [ 0.0001779600000000, 0.0000357600000000, -0.0002306500000000 ] - [ -0.0002173100000000, 0.0000105600000000, 0.0002417600000000 ] - [ 0.0002597300000000, 0.0000200000000000, -0.0001263600000000 ] - [ -0.0003395900000000, -0.0000841700000000, 0.0001156400000000 ] - [ -0.0003598400000000, 0.0000717900000000, 0.0001054500000000 ] - [ 0.0002898800000000, 0.0000445600000000, -0.0001449000000000 ] - [ 0.0001602900000000, -0.0006384100000000, 0.0001286700000000 ] - [ -0.0002232000000000, -0.0004980700000000, -0.0002760400000000 ] - [ -0.0001492400000000, 0.0007184300000000, -0.0000201400000000 ] - [ 0.0001558500000000, 0.0005802700000000, 0.0002306200000000 ] - [ -0.0002008000000000, -0.0001783000000000, -0.0001501000000000 ] - [ -0.0011811400000000, 0.0004775400000000, 0.0013487700000000 ] - [ 0.0000627700000000, -0.0004947000000000, 0.0002466700000000 ] - [ -0.0000169700000000, -0.0000359000000000, -0.0001067900000000 ] - [ -0.0034454600000000, -0.0198995000000000, -0.0017309600000000 ] - [ 0.0003380600000000, -0.0001837700000000, 0.0000112100000000 ] - [ 0.0005274400000000, 0.0004950200000000, -0.0000016600000000 ] - [ -0.0004089400000000, 0.0002091800000000, -0.0000038100000000 ] - [ 0.0000294100000000, -0.0005231000000000, 0.0000131500000000 ] - [ 0.0000014600000000, 0.0005186700000000, -0.0000041800000000 ] - [ 0.0000328900000000, 0.0003647700000000, -0.0000025100000000 ] - [ 0.0000238200000000, -0.0003900700000000, -0.0000052100000000 ] - [ -0.0003382200000000, -0.0001264900000000, -0.0000046200000000 ] - [ 0.0004009600000000, -0.0001333900000000, -0.0000050400000000 ] - [ 0.0005046800000000, -0.0001071600000000, -0.0000229700000000 ] - [ -0.0003495200000000, 0.0001366300000000, -0.0000102000000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007243900000000, -0.0001551800000000, 0.0002207000000000 ] - [ -0.0007771700000000, -0.0000687400000000, -0.0002771400000000 ] - [ -0.0007652100000000, 0.0000850100000000, -0.0002541900000000 ] - [ -0.0000690300000000, -0.0002399600000000, 0.0003276100000000 ] - [ -0.0003797700000000, 0.0002925500000000, 0.0013352800000000 ] - [ 0.0005365900000000, -0.0002824800000000, -0.0001001200000000 ] - [ 0.0001978900000000, 0.0002412800000000, -0.0006351300000000 ] - [ -0.0000513200000000, -0.0011668100000000, -0.0003129000000000 ] - [ 0.0005990200000000, -0.0005534500000000, 0.0003894300000000 ] - [ -0.0005746000000000, -0.0019673600000000, 0.0010495400000000 ] - [ -0.0007352100000000, 0.0008413100000000, -0.0006590300000000 ] - [ 0.0009076700000000, 0.0002687200000000, 0.0001369200000000 ] - [ 0.0007411800000000, -0.0000893200000000, 0.0002842800000000 ] - [ -0.0016775200000000, -0.0035840700000000, -0.0005282800000000 ] - [ -0.0006834400000000, -0.0000415400000000, -0.0003973600000000 ] - [ 0.0001624200000000, 0.0010821500000000, -0.0000286800000000 ] - [ -0.0002224300000000, -0.0002109200000000, 0.0005825500000000 ] - [ 0.0003078700000000, -0.0004572600000000, -0.0010243900000000 ] - [ 0.0001720300000000, 0.0001606800000000, -0.0003807900000000 ] - [ -0.0001975200000000, 0.0002426700000000, 0.0006395400000000 ] - [ 0.0006917300000000, -0.0005284400000000, 0.0003697100000000 ] - [ -0.0006181500000000, -0.0006088300000000, -0.0004583300000000 ] - [ -0.0005939700000000, 0.0004937400000000, -0.0003806800000000 ] - [ 0.0015763700000000, 0.0006762400000000, 0.0013201300000000 ] - [ -0.0003487500000000, 0.0002705600000000, 0.0002711300000000 ] - [ 0.0002739300000000, 0.0002670400000000, -0.0002571900000000 ] - [ 0.0003667700000000, -0.0002414700000000, -0.0003029600000000 ] - [ -0.0004527300000000, -0.0000810200000000, 0.0004209800000000 ] - [ -0.0000298700000000, -0.0001618400000000, -0.0001909900000000 ] - [ 0.0000637600000000, -0.0002568100000000, 0.0001198300000000 ] - [ -0.0040918000000000, -0.0015622600000000, -0.0010047900000000 ] - [ -0.0000608100000000, 0.0001431400000000, -0.0002098900000000 ] - [ -0.0003864400000000, 0.0010793300000000, 0.0010945400000000 ] - [ 0.0003872600000000, 0.0005225400000000, -0.0004388100000000 ] - [ 0.0003914100000000, -0.0004400300000000, -0.0004292100000000 ] - [ -0.0005014100000000, -0.0002959100000000, 0.0003172800000000 ] - [ -0.0001957700000000, -0.0000575100000000, 0.0001950400000000 ] - [ 0.0002089200000000, -0.0002934500000000, -0.0002767300000000 ] - [ 0.0001657800000000, 0.0000385100000000, -0.0002579100000000 ] - [ 0.0008316600000000, 0.0010087600000000, -0.0001641300000000 ] - [ -0.0021746400000000, -0.0027502200000000, 0.0005006100000000 ] - [ -0.0003267000000000, -0.0000693500000000, 0.0001099300000000 ] - [ -0.0032992000000000, -0.0047846900000000, -0.0020246300000000 ] - [ 0.0002563400000000, 0.0000569200000000, -0.0001639000000000 ] - [ -0.0007669000000000, -0.0035301800000000, 0.0048512000000000 ] - [ -0.0001840600000000, -0.0005880300000000, -0.0001892100000000 ] - [ -0.0002824300000000, 0.0006432800000000, -0.0002631200000000 ] - [ 0.0003895800000000, 0.0007533000000000, 0.0003422800000000 ] - [ -0.0003359400000000, 0.0002586200000000, 0.0003052200000000 ] - [ 0.0000784200000000, 0.0005757900000000, 0.0005173900000000 ] - [ 0.0002848500000000, -0.0002912400000000, -0.0002399700000000 ] - [ -0.0003841800000000, -0.0002567200000000, 0.0002581800000000 ] - [ 0.0062783600000000, -0.0041002900000000, -0.0041042800000000 ] - [ 0.0000661600000000, -0.0001548500000000, 0.0002275100000000 ] - [ 0.0001365200000000, 0.0000080500000000, 0.0002106700000000 ] - [ -0.0000536400000000, 0.0001051300000000, -0.0002129900000000 ] - [ -0.0004118800000000, 0.0004376700000000, 0.0004252200000000 ] - [ 0.0003889200000000, 0.0005867600000000, -0.0006378500000000 ] - [ 0.0004489400000000, -0.0004525200000000, -0.0004283400000000 ] - [ -0.0005622800000000, -0.0004985900000000, 0.0003779700000000 ] - [ -0.0001348700000000, -0.0000230700000000, 0.0002720700000000 ] - [ 0.0003476500000000, 0.0003535400000000, -0.0002578700000000 ] - [ 0.0001652200000000, -0.0000029800000000, -0.0002579300000000 ] - [ -0.0001520900000000, 0.0000063000000000, 0.0002423900000000 ] - [ 0.0003930000000000, -0.0001753300000000, -0.0001041500000000 ] - [ -0.0002971700000000, -0.0000600300000000, 0.0001178000000000 ] - [ -0.0002695100000000, 0.0000748600000000, 0.0001346900000000 ] - [ 0.0003377500000000, 0.0000959100000000, -0.0000908200000000 ] - [ 0.0001754400000000, -0.0005879000000000, 0.0002279400000000 ] - [ -0.0000850600000000, -0.0006870200000000, -0.0001504200000000 ] - [ -0.0001607500000000, 0.0004831700000000, -0.0004076200000000 ] - [ 0.0001276900000000, 0.0006431500000000, 0.0001803100000000 ] - [ 0.0002081500000000, -0.0008317500000000, 0.0001557800000000 ] - [ 0.0011686500000000, 0.0005408900000000, -0.0013522900000000 ] - [ -0.0000599100000000, 0.0011855200000000, -0.0002632500000000 ] - [ 0.0000152000000000, -0.0006582200000000, 0.0001082600000000 ] - [ 0.0027870800000000, 0.0193045200000000, 0.0014472800000000 ] - [ 0.0004193300000000, -0.0001108400000000, -0.0000094600000000 ] - [ 0.0002208600000000, -0.0002045100000000, 0.0000057500000000 ] - [ -0.0003423100000000, 0.0000868200000000, 0.0000027900000000 ] - [ -0.0000256000000000, -0.0004865900000000, -0.0000124700000000 ] - [ -0.0000109900000000, 0.0004882900000000, -0.0000005500000000 ] - [ -0.0000206600000000, 0.0003276500000000, -0.0000032500000000 ] - [ -0.0000320000000000, -0.0003039000000000, 0.0000090700000000 ] - [ -0.0004075000000000, -0.0001709400000000, -0.0000009400000000 ] - [ 0.0003515800000000, -0.0001633100000000, 0.0000058500000000 ] - [ 0.0002469600000000, 0.0003988100000000, 0.0000254800000000 ] - [ -0.0004061400000000, 0.0001585600000000, 0.0000087900000000 ]- atom: 77 displacement: [ -0.0002465786812035, 0.0000000000000000, 0.0099969594854624 ] forces: - [ 0.0006499400000000, -0.0001615300000000, 0.0000880000000000 ] - [ -0.0007229000000000, -0.0000335800000000, -0.0001749800000000 ] - [ -0.0007361100000000, 0.0000720200000000, -0.0002618100000000 ] - [ 0.0010659300000000, 0.0003779800000000, 0.0006654800000000 ] - [ -0.0004961600000000, -0.0002506400000000, 0.0019600900000000 ] - [ 0.0001762600000000, -0.0003361200000000, -0.0006909400000000 ] - [ 0.0001828100000000, 0.0002840500000000, -0.0005379700000000 ] - [ 0.0000327800000000, 0.0002433100000000, 0.0004789800000000 ] - [ 0.0005563700000000, -0.0005526800000000, 0.0004901100000000 ] - [ -0.0008954900000000, -0.0016754200000000, -0.0013418700000000 ] - [ -0.0002676100000000, 0.0016248900000000, 0.0002993800000000 ] - [ 0.0007617600000000, 0.0003519700000000, 0.0000867200000000 ] - [ 0.0007449100000000, -0.0000577100000000, 0.0002391900000000 ] - [ -0.0003148800000000, 0.0006559700000000, -0.0007415000000000 ] - [ -0.0007445100000000, -0.0003500100000000, 0.0004422600000000 ] - [ 0.0005973600000000, 0.0005375400000000, 0.0002792400000000 ] - [ -0.0001674200000000, -0.0002557500000000, 0.0006150100000000 ] - [ -0.0000671200000000, -0.0002663800000000, 0.0000236200000000 ] - [ 0.0018736500000000, -0.0000724300000000, -0.0002496400000000 ] - [ -0.0003420500000000, 0.0002421500000000, 0.0005646000000000 ] - [ 0.0002346600000000, -0.0005012900000000, 0.0001710400000000 ] - [ -0.0004957300000000, -0.0005519800000000, -0.0004311800000000 ] - [ -0.0005779800000000, 0.0004951100000000, -0.0003720300000000 ] - [ 0.0008488600000000, 0.0002431400000000, -0.0005923900000000 ] - [ -0.0002622500000000, 0.0003143200000000, 0.0002878300000000 ] - [ 0.0002323400000000, 0.0002615900000000, -0.0002495700000000 ] - [ 0.0003864500000000, -0.0002380700000000, -0.0003056000000000 ] - [ -0.0003844200000000, -0.0003821600000000, 0.0002822300000000 ] - [ -0.0000591600000000, -0.0001627800000000, -0.0001719300000000 ] - [ -0.0000137400000000, -0.0003376700000000, -0.0001430100000000 ] - [ 0.0010926700000000, 0.0010886500000000, 0.0000031300000000 ] - [ -0.0000819800000000, 0.0001192100000000, -0.0002203100000000 ] - [ 0.0003064100000000, -0.0000806500000000, 0.0080548300000000 ] - [ 0.0005771400000000, 0.0005399500000000, -0.0003484900000000 ] - [ 0.0003423200000000, -0.0004292800000000, -0.0004743500000000 ] - [ -0.0004079900000000, -0.0003186600000000, 0.0005918600000000 ] - [ -0.0002169700000000, -0.0000367700000000, 0.0001136000000000 ] - [ 0.0002780300000000, 0.0000889500000000, 0.0004312000000000 ] - [ 0.0002010100000000, -0.0000141200000000, -0.0002957900000000 ] - [ -0.0004330200000000, -0.0004386100000000, 0.0003473500000000 ] - [ -0.0007772400000000, -0.0013128900000000, 0.0004001700000000 ] - [ -0.0004222700000000, -0.0001650400000000, 0.0002783900000000 ] - [ 0.0011653400000000, 0.0024807100000000, 0.0011035200000000 ] - [ 0.0002395700000000, -0.0000229200000000, -0.0003027400000000 ] - [ -0.0011468900000000, -0.0053308300000000, 0.0078752800000000 ] - [ -0.0003755600000000, -0.0005053300000000, -0.0002363700000000 ] - [ 0.0000690200000000, 0.0005229000000000, -0.0001785700000000 ] - [ -0.0002558900000000, 0.0003459200000000, 0.0001681500000000 ] - [ -0.0003559700000000, 0.0002653400000000, 0.0002959700000000 ] - [ 0.0002230300000000, 0.0004747100000000, 0.0000910200000000 ] - [ 0.0006388800000000, 0.0000845400000000, -0.0007853900000000 ] - [ -0.0004871000000000, -0.0002743900000000, 0.0003777400000000 ] - [ -0.0039758800000000, 0.0031767900000000, 0.0009017900000000 ] - [ 0.0000731900000000, -0.0001554700000000, 0.0002171900000000 ] - [ 0.0000589600000000, 0.0000672300000000, 0.0001812000000000 ] - [ -0.0000638800000000, 0.0000472400000000, -0.0001863000000000 ] - [ -0.0004073100000000, 0.0004366200000000, 0.0004094500000000 ] - [ 0.0005238400000000, 0.0002805600000000, -0.0001807600000000 ] - [ 0.0002634300000000, -0.0004338000000000, -0.0006263900000000 ] - [ -0.0003372300000000, -0.0004452500000000, 0.0004548500000000 ] - [ -0.0001862300000000, -0.0000098000000000, 0.0002552200000000 ] - [ 0.0000672200000000, -0.0001504500000000, -0.0001407800000000 ] - [ -0.0001109500000000, 0.0000790300000000, -0.0005920900000000 ] - [ -0.0001841800000000, 0.0000112900000000, 0.0002864900000000 ] - [ 0.0003027000000000, -0.0000432100000000, -0.0002042200000000 ] - [ -0.0003351300000000, -0.0000891000000000, 0.0001004200000000 ] - [ -0.0002815000000000, 0.0000395700000000, 0.0001437100000000 ] - [ 0.0002852400000000, 0.0000386800000000, -0.0000550600000000 ] - [ 0.0001720500000000, -0.0006034000000000, 0.0001763700000000 ] - [ -0.0002253900000000, -0.0004606100000000, -0.0002855100000000 ] - [ -0.0001756300000000, 0.0009377700000000, -0.0001565600000000 ] - [ 0.0001277400000000, 0.0006220500000000, 0.0002162200000000 ] - [ 0.0002124500000000, -0.0007829800000000, 0.0001821700000000 ] - [ -0.0019770500000000, 0.0019797800000000, 0.0018149700000000 ] - [ 0.0022554000000000, 0.0007256900000000, 0.0029052500000000 ] - [ -0.0000972200000000, -0.0003688100000000, -0.0000149200000000 ] - [ 0.0018234800000000, -0.0015985500000000, -0.0238393100000000 ] - [ 0.0003471800000000, -0.0001577500000000, 0.0001508300000000 ] - [ 0.0004412200000000, 0.0001361700000000, -0.0000265800000000 ] - [ -0.0004088400000000, 0.0001511600000000, 0.0001230100000000 ] - [ -0.0000070400000000, -0.0005084600000000, 0.0000384100000000 ] - [ 0.0000042400000000, 0.0004743600000000, -0.0000162600000000 ] - [ -0.0000152800000000, 0.0003422900000000, 0.0000121500000000 ] - [ 0.0000397700000000, -0.0003205300000000, -0.0000186300000000 ] - [ -0.0003772600000000, -0.0001508300000000, -0.0000042300000000 ] - [ 0.0004032900000000, -0.0001420900000000, -0.0000008400000000 ] - [ 0.0001425100000000, 0.0001182100000000, -0.0002208800000000 ] - [ -0.0003469700000000, 0.0001574000000000, 0.0000000300000000 ]- atom: 77 displacement: [ 0.0002465786812035, 0.0000000000000000, -0.0099969594854624 ] forces: - [ 0.0008098300000000, 0.0000020300000000, 0.0004654800000000 ] - [ -0.0006980500000000, -0.0001172100000000, -0.0003456600000000 ] - [ -0.0007563500000000, 0.0000747200000000, -0.0002311200000000 ] - [ 0.0004125200000000, -0.0002319100000000, -0.0001374900000000 ] - [ 0.0001045300000000, -0.0003040900000000, -0.0007271300000000 ] - [ 0.0002143400000000, -0.0001772800000000, -0.0004984100000000 ] - [ 0.0002313600000000, 0.0002307900000000, -0.0006736200000000 ] - [ -0.0004459400000000, 0.0003029100000000, 0.0007223100000000 ] - [ 0.0005948600000000, -0.0004454600000000, 0.0003252700000000 ] - [ -0.0002831900000000, 0.0006263900000000, 0.0005248800000000 ] - [ -0.0008997100000000, -0.0005970100000000, -0.0010862200000000 ] - [ 0.0004231600000000, 0.0007306700000000, 0.0007263400000000 ] - [ 0.0007119900000000, -0.0000787200000000, 0.0003098100000000 ] - [ -0.0011465800000000, -0.0008005300000000, 0.0002320400000000 ] - [ -0.0007296600000000, 0.0004790500000000, -0.0009327500000000 ] - [ 0.0008284300000000, -0.0003515800000000, 0.0002223500000000 ] - [ -0.0002420500000000, -0.0002526300000000, 0.0006109900000000 ] - [ 0.0004536600000000, -0.0002474600000000, -0.0012191100000000 ] - [ -0.0014651300000000, 0.0005825700000000, -0.0009580700000000 ] - [ -0.0000609000000000, 0.0003068800000000, 0.0006195200000000 ] - [ 0.0009190100000000, -0.0004929500000000, 0.0006428900000000 ] - [ -0.0006917600000000, -0.0005130500000000, -0.0004153200000000 ] - [ -0.0005785200000000, 0.0005183600000000, -0.0003828100000000 ] - [ 0.0003224300000000, 0.0008238800000000, 0.0014166200000000 ] - [ -0.0004572600000000, 0.0002182700000000, 0.0002940500000000 ] - [ 0.0005503700000000, 0.0002822300000000, -0.0003671500000000 ] - [ 0.0003622700000000, -0.0002469200000000, -0.0003034300000000 ] - [ -0.0003580300000000, -0.0001637100000000, 0.0002996000000000 ] - [ -0.0000676000000000, -0.0001373600000000, -0.0002068000000000 ] - [ 0.0001624000000000, 0.0000431100000000, 0.0005791600000000 ] - [ -0.0009318700000000, -0.0008376900000000, 0.0004214600000000 ] - [ -0.0000722100000000, 0.0001324000000000, -0.0002039200000000 ] - [ -0.0011981200000000, 0.0009971200000000, -0.0075707400000000 ] - [ 0.0002317600000000, 0.0003988600000000, -0.0005030100000000 ] - [ 0.0004196500000000, -0.0004475200000000, -0.0004246900000000 ] - [ -0.0004089500000000, -0.0005785700000000, 0.0002758000000000 ] - [ -0.0001504100000000, 0.0000093400000000, 0.0004130300000000 ] - [ 0.0000638200000000, -0.0000763700000000, -0.0009143600000000 ] - [ 0.0001850500000000, 0.0000473800000000, -0.0002075700000000 ] - [ 0.0000682400000000, 0.0004765400000000, 0.0001509200000000 ] - [ 0.0014495900000000, 0.0011496200000000, -0.0006053400000000 ] - [ -0.0002244700000000, 0.0000117900000000, -0.0000481500000000 ] - [ -0.0017573300000000, -0.0023072500000000, -0.0008632200000000 ] - [ 0.0003750300000000, 0.0001587900000000, 0.0000615200000000 ] - [ 0.0013903900000000, 0.0038950100000000, -0.0072314100000000 ] - [ 0.0000645400000000, -0.0007124400000000, -0.0001549800000000 ] - [ -0.0003832300000000, 0.0006587500000000, -0.0002623700000000 ] - [ 0.0005574000000000, 0.0008957700000000, 0.0002241800000000 ] - [ -0.0003622300000000, 0.0002664500000000, 0.0002988700000000 ] - [ 0.0005493500000000, 0.0000507700000000, -0.0007266200000000 ] - [ 0.0001480900000000, -0.0005659200000000, 0.0001605300000000 ] - [ -0.0002891000000000, -0.0002652200000000, 0.0001925100000000 ] - [ 0.0037959400000000, -0.0034287200000000, -0.0013066300000000 ] - [ 0.0000717100000000, -0.0001623100000000, 0.0002194400000000 ] - [ 0.0000671300000000, 0.0001661500000000, 0.0002118100000000 ] - [ -0.0000722000000000, 0.0002313800000000, -0.0002128500000000 ] - [ -0.0004115300000000, 0.0004405300000000, 0.0004269900000000 ] - [ 0.0002843400000000, 0.0006337300000000, -0.0006882400000000 ] - [ 0.0004997400000000, -0.0004681400000000, -0.0002912900000000 ] - [ -0.0004548600000000, -0.0004676100000000, 0.0004195200000000 ] - [ -0.0001536600000000, -0.0000363700000000, 0.0002807400000000 ] - [ 0.0002910700000000, 0.0001344400000000, -0.0003363000000000 ] - [ 0.0004599700000000, -0.0000464500000000, 0.0001079000000000 ] - [ -0.0001857200000000, 0.0000044700000000, 0.0001954800000000 ] - [ 0.0003452600000000, -0.0001104100000000, -0.0000286300000000 ] - [ -0.0002990400000000, -0.0000539000000000, 0.0001356000000000 ] - [ -0.0003458600000000, 0.0001066800000000, 0.0000977700000000 ] - [ 0.0003400200000000, 0.0001006500000000, -0.0001817100000000 ] - [ 0.0001699600000000, -0.0006179400000000, 0.0001875200000000 ] - [ -0.0000905400000000, -0.0007264900000000, -0.0001388500000000 ] - [ -0.0001408600000000, 0.0002552000000000, -0.0002778100000000 ] - [ 0.0001655200000000, 0.0005981600000000, 0.0001975000000000 ] - [ -0.0002070500000000, -0.0002282200000000, -0.0001795300000000 ] - [ 0.0019880600000000, -0.0009907400000000, -0.0018313300000000 ] - [ -0.0022163000000000, -0.0000272600000000, -0.0028850400000000 ] - [ 0.0000945400000000, -0.0003251500000000, 0.0000189600000000 ] - [ -0.0024694200000000, 0.0014216400000000, 0.0239145300000000 ] - [ 0.0004123700000000, -0.0001357900000000, -0.0001505300000000 ] - [ 0.0003035800000000, 0.0001492200000000, 0.0000290400000000 ] - [ -0.0003433500000000, 0.0001437200000000, -0.0001226400000000 ] - [ 0.0000090800000000, -0.0004996900000000, -0.0000402500000000 ] - [ -0.0000128800000000, 0.0005319200000000, 0.0000123000000000 ] - [ 0.0000286300000000, 0.0003493500000000, -0.0000195000000000 ] - [ -0.0000483800000000, -0.0003737200000000, 0.0000236800000000 ] - [ -0.0003686300000000, -0.0001451300000000, 0.0000013400000000 ] - [ 0.0003497300000000, -0.0001525700000000, 0.0000003000000000 ] - [ 0.0006077800000000, 0.0001717400000000, 0.0002219000000000 ] - [ -0.0004095900000000, 0.0001360500000000, 0.0000001200000000 ]