# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1544af18-c2e6-462a-acad-da278d66837f/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 CdGeO3 / I4_1/a (88) / materials id 7588](https://mdr.nims.go.jp/datasets/b48a7056-8123-420a-be00-219888f3049d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4_1/a" number: 88 Hall_symbol: "I 4bw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -6.228525205000000, 6.228525185000000, 6.145785480000000 ] # a - [ 6.228525205000000, -6.228525185000000, 6.145785480000000 ] # b - [ 6.228525185000000, 6.228525205000000, -6.145785480000000 ] # c points: - symbol: O # 1 coordinates: [ 0.381514330000000, 0.944827250000000, 0.643491740000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.694827250000000, 0.551335510000000, 0.063312920000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.488022590000000, 0.631514330000000, 0.936687080000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.301335510000000, 0.738022590000000, 0.356508260000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.368485670000000, 0.305172750000000, 0.856508260000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.055172750000000, 0.698664490000000, 0.436687080000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.261977410000000, 0.618485670000000, 0.563312920000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.448664490000000, 0.511977410000000, 0.143491740000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.740114130000000, 0.221561150000000, 0.650675940000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.971561150000000, 0.820885210000000, 0.981447020000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.839438190000000, 0.990114130000000, 0.018552980000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.570885210000000, 0.089438190000000, 0.349324060000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.009885870000000, 0.028438850000000, 0.849324060000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.778438850000000, 0.429114790000000, 0.518552980000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.910561810000000, 0.259885870000000, 0.481447020000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.179114790000000, 0.160561810000000, 0.150675940000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.752779490000000, 0.711318680000000, 0.614082190000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.461318680000000, 0.347236490000000, 0.458539190000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.888697300000000, 0.002779490000000, 0.541460810000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.558719630000000, 0.711916800000000, 0.748982230000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.097236490000000, 0.138697300000000, 0.385917810000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.288681320000000, 0.902763510000000, 0.041460810000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.861302700000000, 0.247220510000000, 0.958539190000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.652763510000000, 0.111302700000000, 0.114082190000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.451813650000000, 0.588984440000000, 0.414218530000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.338984440000000, 0.424765910000000, 0.637170790000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.787595120000000, 0.701813650000000, 0.362829210000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.174765910000000, 0.037595120000000, 0.585781470000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.298186350000000, 0.661015560000000, 0.085781470000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.411015560000000, 0.825234090000000, 0.862829210000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.962404880000000, 0.548186350000000, 0.137170790000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.575234090000000, 0.212404880000000, 0.914218530000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.484357780000000, 0.273707130000000, 0.160354930000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.023707130000000, 0.363352200000000, 0.289349350000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.074002850000000, 0.734357780000000, 0.710650650000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.113352200000000, 0.324002850000000, 0.839645070000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.265642220000000, 0.976292870000000, 0.339645070000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.726292870000000, 0.886647800000000, 0.210650650000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.675997150000000, 0.515642220000000, 0.789349350000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.636647800000000, 0.925997150000000, 0.660354930000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.787065430000000, 0.440262600000000, 0.248982230000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.190262600000000, 0.441280370000000, 0.153197170000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.288083200000000, 0.037065430000000, 0.846802830000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.191280370000000, 0.538083200000000, 0.751017770000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.962934570000000, 0.809737400000000, 0.251017770000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.559737400000000, 0.808719630000000, 0.346802830000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.461916800000000, 0.212934570000000, 0.653197170000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.997220510000000, 0.538681320000000, 0.885917810000000 ] mass: 15.999400 - symbol: Ge # 49 coordinates: [ 0.599902240000000, 0.738563310000000, 0.607730250000000 ] mass: 72.640000 - symbol: Ge # 50 coordinates: [ 0.488563310000000, 0.380833060000000, 0.638661070000000 ] mass: 72.640000 - symbol: Ge # 51 coordinates: [ 0.742171990000000, 0.849902240000000, 0.361338930000000 ] mass: 72.640000 - symbol: Ge # 52 coordinates: [ 0.130833060000000, 0.992171990000000, 0.392269750000000 ] mass: 72.640000 - symbol: Ge # 53 coordinates: [ 0.150097760000000, 0.511436690000000, 0.892269750000000 ] mass: 72.640000 - symbol: Ge # 54 coordinates: [ 0.261436690000000, 0.869166940000000, 0.861338930000000 ] mass: 72.640000 - symbol: Ge # 55 coordinates: [ 0.007828010000000, 0.400097760000000, 0.138661070000000 ] mass: 72.640000 - symbol: Ge # 56 coordinates: [ 0.619166940000000, 0.257828010000000, 0.107730250000000 ] mass: 72.640000 - symbol: Ge # 57 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 72.640000 - symbol: Ge # 58 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 72.640000 - symbol: Ge # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 72.640000 - symbol: Ge # 60 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 72.640000 - symbol: Ge # 61 coordinates: [ 0.875000000000000, 0.625000000000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 62 coordinates: [ 0.375000000000000, 0.625000000000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 63 coordinates: [ 0.375000000000000, 0.125000000000000, 0.750000000000000 ] mass: 72.640000 - symbol: Ge # 64 coordinates: [ 0.375000000000000, 0.625000000000000, 0.750000000000000 ] mass: 72.640000 - symbol: Cd # 65 coordinates: [ 0.375000000000000, 0.125000000000000, 0.250000000000000 ] mass: 112.411000 - symbol: Cd # 66 coordinates: [ 0.875000000000000, 0.125000000000000, 0.250000000000000 ] mass: 112.411000 - symbol: Cd # 67 coordinates: [ 0.875000000000000, 0.625000000000000, 0.750000000000000 ] mass: 112.411000 - symbol: Cd # 68 coordinates: [ 0.875000000000000, 0.125000000000000, 0.750000000000000 ] mass: 112.411000 - symbol: Cd # 69 coordinates: [ 0.998983050000000, 0.498983050000000, 0.500000000000000 ] mass: 112.411000 - symbol: Cd # 70 coordinates: [ 0.248983050000000, 0.248983050000000, 0.000000000000000 ] mass: 112.411000 - symbol: Cd # 71 coordinates: [ 0.751016950000000, 0.751016950000000, 0.000000000000000 ] mass: 112.411000 - symbol: Cd # 72 coordinates: [ 0.501016950000000, 0.001016950000000, 0.500000000000000 ] mass: 112.411000 - symbol: Cd # 73 coordinates: [ 0.113197130000000, 0.242406400000000, 0.618599650000000 ] mass: 112.411000 - symbol: Cd # 74 coordinates: [ 0.992406400000000, 0.873806750000000, 0.629209270000000 ] mass: 112.411000 - symbol: Cd # 75 coordinates: [ 0.244597480000000, 0.363197130000000, 0.370790730000000 ] mass: 112.411000 - symbol: Cd # 76 coordinates: [ 0.623806750000000, 0.494597480000000, 0.381400350000000 ] mass: 112.411000 - symbol: Cd # 77 coordinates: [ 0.636802870000000, 0.007593600000000, 0.881400350000000 ] mass: 112.411000 - symbol: Cd # 78 coordinates: [ 0.757593600000000, 0.376193250000000, 0.870790730000000 ] mass: 112.411000 - symbol: Cd # 79 coordinates: [ 0.505402520000000, 0.886802870000000, 0.129209270000000 ] mass: 112.411000 - symbol: Cd # 80 coordinates: [ 0.126193250000000, 0.755402520000000, 0.118599650000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ -0.000000000128884, 0.080275825230888, 0.081356565670431 ] # a* - [ 0.080275825230888, 0.000000000128884, 0.081356565670431 ] # b* - [ 0.080275825102003, 0.080275825359772, 0.000000000000000 ] # c*unit_cell: lattice: - [ 12.457050389999999, 0.000000020000000, 0.000000000000000 ] # a - [ -0.000000020000000, 12.457050389999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.291570960000000 ] # c points: - symbol: O # 1 coordinates: [ 0.103402330000000, 0.540089410000000, 0.841424920000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.459910590000000, 0.603402330000000, 0.091424920000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.040089410000000, 0.896597670000000, 0.591424920000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.396597670000000, 0.959910590000000, 0.341424920000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.396597670000000, 0.459910590000000, 0.908575080000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.040089410000000, 0.396597670000000, 0.658575080000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.459910590000000, 0.103402330000000, 0.158575080000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.103402330000000, 0.040089410000000, 0.408575080000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.066061480000000, 0.584614460000000, 0.155499670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.415385540000000, 0.566061480000000, 0.405499670000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.584614460000000, 0.433938520000000, 0.405499670000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.933938520000000, 0.415385540000000, 0.155499670000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.433938520000000, 0.415385540000000, 0.594500330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.084614460000000, 0.433938520000000, 0.344500330000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.915385540000000, 0.566061480000000, 0.344500330000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.566061480000000, 0.584614460000000, 0.594500330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.286310690000000, 0.327771500000000, 0.425007990000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.172228500000000, 0.286310690000000, 0.175007990000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.327771500000000, 0.213689310000000, 0.675007990000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.451089700000000, 0.297892530000000, 0.260827100000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.713689310000000, 0.672228500000000, 0.425007990000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.327771500000000, 0.713689310000000, 0.574992010000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.172228500000000, 0.786310690000000, 0.074992010000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.786310690000000, 0.327771500000000, 0.324992010000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.275694660000000, 0.138523870000000, 0.313289780000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.861476130000000, 0.775694660000000, 0.563289780000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.138523870000000, 0.224305340000000, 0.563289780000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.224305340000000, 0.361476130000000, 0.813289780000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.224305340000000, 0.861476130000000, 0.436710220000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.638523870000000, 0.224305340000000, 0.186710220000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.361476130000000, 0.775694660000000, 0.186710220000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.275694660000000, 0.638523870000000, 0.936710220000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.974852140000000, 0.185502790000000, 0.298854990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.314497210000000, 0.974852140000000, 0.048854990000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.185502790000000, 0.525147860000000, 0.548854990000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.525147860000000, 0.314497210000000, 0.798854990000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.525147860000000, 0.814497210000000, 0.451145010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.185502790000000, 0.025147860000000, 0.701145010000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.314497210000000, 0.474852140000000, 0.201145010000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.974852140000000, 0.685502790000000, 0.951145010000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.951089700000000, 0.297892530000000, 0.489172900000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.202107470000000, 0.951089700000000, 0.239172900000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.297892530000000, 0.548910300000000, 0.739172900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.048910300000000, 0.702107470000000, 0.489172900000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.548910300000000, 0.702107470000000, 0.260827100000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.297892530000000, 0.048910300000000, 0.510827100000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.202107470000000, 0.451089700000000, 0.010827100000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.213689310000000, 0.672228500000000, 0.324992010000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.603402330000000, 0.040089410000000, 0.341424920000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.959910590000000, 0.103402330000000, 0.591424920000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 51 coordinates: [ 0.540089410000000, 0.396597670000000, 0.091424920000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 52 coordinates: [ 0.896597670000000, 0.459910590000000, 0.841424920000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 53 coordinates: [ 0.896597670000000, 0.959910590000000, 0.408575080000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.540089410000000, 0.896597670000000, 0.158575080000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 55 coordinates: [ 0.959910590000000, 0.603402330000000, 0.658575080000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.603402330000000, 0.540089410000000, 0.908575080000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 57 coordinates: [ 0.566061480000000, 0.084614460000000, 0.655499670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.915385540000000, 0.066061480000000, 0.905499670000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 59 coordinates: [ 0.084614460000000, 0.933938520000000, 0.905499670000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 60 coordinates: [ 0.433938520000000, 0.915385540000000, 0.655499670000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 61 coordinates: [ 0.933938520000000, 0.915385540000000, 0.094500330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.584614460000000, 0.933938520000000, 0.844500330000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 63 coordinates: [ 0.415385540000000, 0.066061480000000, 0.844500330000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 64 coordinates: [ 0.066061480000000, 0.084614460000000, 0.094500330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 65 coordinates: [ 0.786310690000000, 0.827771500000000, 0.925007990000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.672228500000000, 0.786310690000000, 0.675007990000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 67 coordinates: [ 0.827771500000000, 0.713689310000000, 0.175007990000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.951089700000000, 0.797892530000000, 0.760827100000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 69 coordinates: [ 0.213689310000000, 0.172228500000000, 0.925007990000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.827771500000000, 0.213689310000000, 0.074992010000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 71 coordinates: [ 0.672228500000000, 0.286310690000000, 0.574992010000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 72 coordinates: [ 0.286310690000000, 0.827771500000000, 0.824992010000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 73 coordinates: [ 0.775694660000000, 0.638523870000000, 0.813289780000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.361476130000000, 0.275694660000000, 0.063289780000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 75 coordinates: [ 0.638523870000000, 0.724305340000000, 0.063289780000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 76 coordinates: [ 0.724305340000000, 0.861476130000000, 0.313289780000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 77 coordinates: [ 0.724305340000000, 0.361476130000000, 0.936710220000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 78 coordinates: [ 0.138523870000000, 0.724305340000000, 0.686710220000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 79 coordinates: [ 0.861476130000000, 0.275694660000000, 0.686710220000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.775694660000000, 0.138523870000000, 0.436710220000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 81 coordinates: [ 0.474852140000000, 0.685502790000000, 0.798854990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 82 coordinates: [ 0.814497210000000, 0.474852140000000, 0.548854990000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 83 coordinates: [ 0.685502790000000, 0.025147860000000, 0.048854990000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 84 coordinates: [ 0.025147860000000, 0.814497210000000, 0.298854990000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 85 coordinates: [ 0.025147860000000, 0.314497210000000, 0.951145010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.685502790000000, 0.525147860000000, 0.201145010000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 87 coordinates: [ 0.814497210000000, 0.974852140000000, 0.701145010000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.474852140000000, 0.185502790000000, 0.451145010000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 89 coordinates: [ 0.451089700000000, 0.797892530000000, 0.989172900000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.702107470000000, 0.451089700000000, 0.739172900000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 91 coordinates: [ 0.797892530000000, 0.048910300000000, 0.239172900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.548910300000000, 0.202107470000000, 0.989172900000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 93 coordinates: [ 0.048910300000000, 0.202107470000000, 0.760827100000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.797892530000000, 0.548910300000000, 0.010827100000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 95 coordinates: [ 0.702107470000000, 0.951089700000000, 0.510827100000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 96 coordinates: [ 0.713689310000000, 0.172228500000000, 0.824992010000000 ] mass: 15.999400 reduced_to: 48 - symbol: Ge # 97 coordinates: [ 0.373195660000000, 0.234534590000000, 0.365367650000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 98 coordinates: [ 0.265465410000000, 0.373195660000000, 0.115367650000000 ] mass: 72.640000 reduced_to: 98 - symbol: Ge # 99 coordinates: [ 0.234534590000000, 0.126804340000000, 0.615367650000000 ] mass: 72.640000 reduced_to: 99 - symbol: Ge # 100 coordinates: [ 0.626804340000000, 0.765465410000000, 0.365367650000000 ] mass: 72.640000 reduced_to: 100 - symbol: Ge # 101 coordinates: [ 0.126804340000000, 0.765465410000000, 0.384632350000000 ] mass: 72.640000 reduced_to: 101 - symbol: Ge # 102 coordinates: [ 0.234534590000000, 0.626804340000000, 0.634632350000000 ] mass: 72.640000 reduced_to: 102 - symbol: Ge # 103 coordinates: [ 0.265465410000000, 0.873195660000000, 0.134632350000000 ] mass: 72.640000 reduced_to: 103 - symbol: Ge # 104 coordinates: [ 0.873195660000000, 0.234534590000000, 0.384632350000000 ] mass: 72.640000 reduced_to: 104 - symbol: Ge # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 106 - symbol: Ge # 107 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 107 - symbol: Ge # 108 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 108 - symbol: Ge # 109 coordinates: [ 0.000000000000000, 0.250000000000000, 0.625000000000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 110 coordinates: [ 0.250000000000000, 0.000000000000000, 0.375000000000000 ] mass: 72.640000 reduced_to: 110 - symbol: Ge # 111 coordinates: [ 0.250000000000000, 0.500000000000000, 0.875000000000000 ] mass: 72.640000 reduced_to: 111 - symbol: Ge # 112 coordinates: [ 0.500000000000000, 0.250000000000000, 0.125000000000000 ] mass: 72.640000 reduced_to: 112 - symbol: Ge # 113 coordinates: [ 0.873195660000000, 0.734534590000000, 0.865367650000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 114 coordinates: [ 0.765465410000000, 0.873195660000000, 0.615367650000000 ] mass: 72.640000 reduced_to: 98 - symbol: Ge # 115 coordinates: [ 0.734534590000000, 0.626804340000000, 0.115367650000000 ] mass: 72.640000 reduced_to: 99 - symbol: Ge # 116 coordinates: [ 0.126804340000000, 0.265465410000000, 0.865367650000000 ] mass: 72.640000 reduced_to: 100 - symbol: Ge # 117 coordinates: [ 0.626804340000000, 0.265465410000000, 0.884632350000000 ] mass: 72.640000 reduced_to: 101 - symbol: Ge # 118 coordinates: [ 0.734534590000000, 0.126804340000000, 0.134632350000000 ] mass: 72.640000 reduced_to: 102 - symbol: Ge # 119 coordinates: [ 0.765465410000000, 0.373195660000000, 0.634632350000000 ] mass: 72.640000 reduced_to: 103 - symbol: Ge # 120 coordinates: [ 0.373195660000000, 0.734534590000000, 0.884632350000000 ] mass: 72.640000 reduced_to: 104 - symbol: Ge # 121 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 122 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 106 - symbol: Ge # 123 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 107 - symbol: Ge # 124 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 108 - symbol: Ge # 125 coordinates: [ 0.500000000000000, 0.750000000000000, 0.125000000000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 126 coordinates: [ 0.750000000000000, 0.500000000000000, 0.875000000000000 ] mass: 72.640000 reduced_to: 110 - symbol: Ge # 127 coordinates: [ 0.750000000000000, 0.000000000000000, 0.375000000000000 ] mass: 72.640000 reduced_to: 111 - symbol: Ge # 128 coordinates: [ 0.000000000000000, 0.750000000000000, 0.625000000000000 ] mass: 72.640000 reduced_to: 112 - symbol: Cd # 129 coordinates: [ 0.000000000000000, 0.250000000000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 129 - symbol: Cd # 130 coordinates: [ 0.250000000000000, 0.000000000000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 130 - symbol: Cd # 131 coordinates: [ 0.250000000000000, 0.500000000000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 131 - symbol: Cd # 132 coordinates: [ 0.500000000000000, 0.250000000000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 132 - symbol: Cd # 133 coordinates: [ 0.000000000000000, 0.500000000000000, 0.498983050000000 ] mass: 112.411000 reduced_to: 133 - symbol: Cd # 134 coordinates: [ 0.500000000000000, 0.500000000000000, 0.748983050000000 ] mass: 112.411000 reduced_to: 134 - symbol: Cd # 135 coordinates: [ 0.500000000000000, 0.500000000000000, 0.251016950000000 ] mass: 112.411000 reduced_to: 135 - symbol: Cd # 136 coordinates: [ 0.000000000000000, 0.500000000000000, 0.001016950000000 ] mass: 112.411000 reduced_to: 136 - symbol: Cd # 137 coordinates: [ 0.373904460000000, 0.244695190000000, 0.868501940000000 ] mass: 112.411000 reduced_to: 137 - symbol: Cd # 138 coordinates: [ 0.255304810000000, 0.373904460000000, 0.618501940000000 ] mass: 112.411000 reduced_to: 138 - symbol: Cd # 139 coordinates: [ 0.744695190000000, 0.626095540000000, 0.618501940000000 ] mass: 112.411000 reduced_to: 139 - symbol: Cd # 140 coordinates: [ 0.126095540000000, 0.255304810000000, 0.368501940000000 ] mass: 112.411000 reduced_to: 140 - symbol: Cd # 141 coordinates: [ 0.126095540000000, 0.755304810000000, 0.881498060000000 ] mass: 112.411000 reduced_to: 141 - symbol: Cd # 142 coordinates: [ 0.244695190000000, 0.626095540000000, 0.131498060000000 ] mass: 112.411000 reduced_to: 142 - symbol: Cd # 143 coordinates: [ 0.755304810000000, 0.373904460000000, 0.131498060000000 ] mass: 112.411000 reduced_to: 143 - symbol: Cd # 144 coordinates: [ 0.373904460000000, 0.744695190000000, 0.381498060000000 ] mass: 112.411000 reduced_to: 144 - symbol: Cd # 145 coordinates: [ 0.500000000000000, 0.750000000000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 129 - symbol: Cd # 146 coordinates: [ 0.750000000000000, 0.500000000000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 130 - symbol: Cd # 147 coordinates: [ 0.750000000000000, 0.000000000000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 131 - symbol: Cd # 148 coordinates: [ 0.000000000000000, 0.750000000000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 132 - symbol: Cd # 149 coordinates: [ 0.500000000000000, 0.000000000000000, 0.998983050000000 ] mass: 112.411000 reduced_to: 133 - symbol: Cd # 150 coordinates: [ 0.000000000000000, 0.000000000000000, 0.248983050000000 ] mass: 112.411000 reduced_to: 134 - symbol: Cd # 151 coordinates: [ 0.000000000000000, 0.000000000000000, 0.751016950000000 ] mass: 112.411000 reduced_to: 135 - symbol: Cd # 152 coordinates: [ 0.500000000000000, 0.000000000000000, 0.501016950000000 ] mass: 112.411000 reduced_to: 136 - symbol: Cd # 153 coordinates: [ 0.873904460000000, 0.744695190000000, 0.368501940000000 ] mass: 112.411000 reduced_to: 137 - symbol: Cd # 154 coordinates: [ 0.755304810000000, 0.873904460000000, 0.118501940000000 ] mass: 112.411000 reduced_to: 138 - symbol: Cd # 155 coordinates: [ 0.244695190000000, 0.126095540000000, 0.118501940000000 ] mass: 112.411000 reduced_to: 139 - symbol: Cd # 156 coordinates: [ 0.626095540000000, 0.755304810000000, 0.868501940000000 ] mass: 112.411000 reduced_to: 140 - symbol: Cd # 157 coordinates: [ 0.626095540000000, 0.255304810000000, 0.381498060000000 ] mass: 112.411000 reduced_to: 141 - symbol: Cd # 158 coordinates: [ 0.744695190000000, 0.126095540000000, 0.631498060000000 ] mass: 112.411000 reduced_to: 142 - symbol: Cd # 159 coordinates: [ 0.255304810000000, 0.873904460000000, 0.631498060000000 ] mass: 112.411000 reduced_to: 143 - symbol: Cd # 160 coordinates: [ 0.873904460000000, 0.244695190000000, 0.881498060000000 ] mass: 112.411000 reduced_to: 144supercell: lattice: - [ 12.457050389999999, 0.000000020000000, 0.000000000000000 ] # a - [ -0.000000020000000, 12.457050389999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.291570960000000 ] # c points: - symbol: O # 1 coordinates: [ 0.103402330000000, 0.540089410000000, 0.841424920000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.459910590000000, 0.603402330000000, 0.091424920000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.040089410000000, 0.896597670000000, 0.591424920000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.396597670000000, 0.959910590000000, 0.341424920000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.396597670000000, 0.459910590000000, 0.908575080000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.040089410000000, 0.396597670000000, 0.658575080000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.459910590000000, 0.103402330000000, 0.158575080000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.103402330000000, 0.040089410000000, 0.408575080000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.066061480000000, 0.584614460000000, 0.155499670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.415385540000000, 0.566061480000000, 0.405499670000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.584614460000000, 0.433938520000000, 0.405499670000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.933938520000000, 0.415385540000000, 0.155499670000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.433938520000000, 0.415385540000000, 0.594500330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.084614460000000, 0.433938520000000, 0.344500330000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.915385540000000, 0.566061480000000, 0.344500330000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.566061480000000, 0.584614460000000, 0.594500330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.286310690000000, 0.327771500000000, 0.425007990000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.172228500000000, 0.286310690000000, 0.175007990000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.327771500000000, 0.213689310000000, 0.675007990000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.451089700000000, 0.297892530000000, 0.260827100000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.713689310000000, 0.672228500000000, 0.425007990000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.327771500000000, 0.713689310000000, 0.574992010000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.172228500000000, 0.786310690000000, 0.074992010000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.786310690000000, 0.327771500000000, 0.324992010000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.275694660000000, 0.138523870000000, 0.313289780000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.861476130000000, 0.775694660000000, 0.563289780000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.138523870000000, 0.224305340000000, 0.563289780000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.224305340000000, 0.361476130000000, 0.813289780000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.224305340000000, 0.861476130000000, 0.436710220000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.638523870000000, 0.224305340000000, 0.186710220000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.361476130000000, 0.775694660000000, 0.186710220000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.275694660000000, 0.638523870000000, 0.936710220000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.974852140000000, 0.185502790000000, 0.298854990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.314497210000000, 0.974852140000000, 0.048854990000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.185502790000000, 0.525147860000000, 0.548854990000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.525147860000000, 0.314497210000000, 0.798854990000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.525147860000000, 0.814497210000000, 0.451145010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.185502790000000, 0.025147860000000, 0.701145010000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.314497210000000, 0.474852140000000, 0.201145010000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.974852140000000, 0.685502790000000, 0.951145010000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.951089700000000, 0.297892530000000, 0.489172900000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.202107470000000, 0.951089700000000, 0.239172900000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.297892530000000, 0.548910300000000, 0.739172900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.048910300000000, 0.702107470000000, 0.489172900000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.548910300000000, 0.702107470000000, 0.260827100000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.297892530000000, 0.048910300000000, 0.510827100000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.202107470000000, 0.451089700000000, 0.010827100000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.213689310000000, 0.672228500000000, 0.324992010000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.603402330000000, 0.040089410000000, 0.341424920000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.959910590000000, 0.103402330000000, 0.591424920000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 51 coordinates: [ 0.540089410000000, 0.396597670000000, 0.091424920000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 52 coordinates: [ 0.896597670000000, 0.459910590000000, 0.841424920000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 53 coordinates: [ 0.896597670000000, 0.959910590000000, 0.408575080000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.540089410000000, 0.896597670000000, 0.158575080000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 55 coordinates: [ 0.959910590000000, 0.603402330000000, 0.658575080000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.603402330000000, 0.540089410000000, 0.908575080000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 57 coordinates: [ 0.566061480000000, 0.084614460000000, 0.655499670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.915385540000000, 0.066061480000000, 0.905499670000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 59 coordinates: [ 0.084614460000000, 0.933938520000000, 0.905499670000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 60 coordinates: [ 0.433938520000000, 0.915385540000000, 0.655499670000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 61 coordinates: [ 0.933938520000000, 0.915385540000000, 0.094500330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.584614460000000, 0.933938520000000, 0.844500330000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 63 coordinates: [ 0.415385540000000, 0.066061480000000, 0.844500330000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 64 coordinates: [ 0.066061480000000, 0.084614460000000, 0.094500330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 65 coordinates: [ 0.786310690000000, 0.827771500000000, 0.925007990000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.672228500000000, 0.786310690000000, 0.675007990000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 67 coordinates: [ 0.827771500000000, 0.713689310000000, 0.175007990000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.951089700000000, 0.797892530000000, 0.760827100000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 69 coordinates: [ 0.213689310000000, 0.172228500000000, 0.925007990000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.827771500000000, 0.213689310000000, 0.074992010000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 71 coordinates: [ 0.672228500000000, 0.286310690000000, 0.574992010000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 72 coordinates: [ 0.286310690000000, 0.827771500000000, 0.824992010000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 73 coordinates: [ 0.775694660000000, 0.638523870000000, 0.813289780000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.361476130000000, 0.275694660000000, 0.063289780000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 75 coordinates: [ 0.638523870000000, 0.724305340000000, 0.063289780000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 76 coordinates: [ 0.724305340000000, 0.861476130000000, 0.313289780000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 77 coordinates: [ 0.724305340000000, 0.361476130000000, 0.936710220000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 78 coordinates: [ 0.138523870000000, 0.724305340000000, 0.686710220000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 79 coordinates: [ 0.861476130000000, 0.275694660000000, 0.686710220000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.775694660000000, 0.138523870000000, 0.436710220000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 81 coordinates: [ 0.474852140000000, 0.685502790000000, 0.798854990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 82 coordinates: [ 0.814497210000000, 0.474852140000000, 0.548854990000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 83 coordinates: [ 0.685502790000000, 0.025147860000000, 0.048854990000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 84 coordinates: [ 0.025147860000000, 0.814497210000000, 0.298854990000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 85 coordinates: [ 0.025147860000000, 0.314497210000000, 0.951145010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.685502790000000, 0.525147860000000, 0.201145010000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 87 coordinates: [ 0.814497210000000, 0.974852140000000, 0.701145010000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.474852140000000, 0.185502790000000, 0.451145010000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 89 coordinates: [ 0.451089700000000, 0.797892530000000, 0.989172900000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.702107470000000, 0.451089700000000, 0.739172900000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 91 coordinates: [ 0.797892530000000, 0.048910300000000, 0.239172900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.548910300000000, 0.202107470000000, 0.989172900000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 93 coordinates: [ 0.048910300000000, 0.202107470000000, 0.760827100000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.797892530000000, 0.548910300000000, 0.010827100000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 95 coordinates: [ 0.702107470000000, 0.951089700000000, 0.510827100000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 96 coordinates: [ 0.713689310000000, 0.172228500000000, 0.824992010000000 ] mass: 15.999400 reduced_to: 48 - symbol: Ge # 97 coordinates: [ 0.373195660000000, 0.234534590000000, 0.365367650000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 98 coordinates: [ 0.265465410000000, 0.373195660000000, 0.115367650000000 ] mass: 72.640000 reduced_to: 98 - symbol: Ge # 99 coordinates: [ 0.234534590000000, 0.126804340000000, 0.615367650000000 ] mass: 72.640000 reduced_to: 99 - symbol: Ge # 100 coordinates: [ 0.626804340000000, 0.765465410000000, 0.365367650000000 ] mass: 72.640000 reduced_to: 100 - symbol: Ge # 101 coordinates: [ 0.126804340000000, 0.765465410000000, 0.384632350000000 ] mass: 72.640000 reduced_to: 101 - symbol: Ge # 102 coordinates: [ 0.234534590000000, 0.626804340000000, 0.634632350000000 ] mass: 72.640000 reduced_to: 102 - symbol: Ge # 103 coordinates: [ 0.265465410000000, 0.873195660000000, 0.134632350000000 ] mass: 72.640000 reduced_to: 103 - symbol: Ge # 104 coordinates: [ 0.873195660000000, 0.234534590000000, 0.384632350000000 ] mass: 72.640000 reduced_to: 104 - symbol: Ge # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 106 - symbol: Ge # 107 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 107 - symbol: Ge # 108 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 108 - symbol: Ge # 109 coordinates: [ 0.000000000000000, 0.250000000000000, 0.625000000000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 110 coordinates: [ 0.250000000000000, 0.000000000000000, 0.375000000000000 ] mass: 72.640000 reduced_to: 110 - symbol: Ge # 111 coordinates: [ 0.250000000000000, 0.500000000000000, 0.875000000000000 ] mass: 72.640000 reduced_to: 111 - symbol: Ge # 112 coordinates: [ 0.500000000000000, 0.250000000000000, 0.125000000000000 ] mass: 72.640000 reduced_to: 112 - symbol: Ge # 113 coordinates: [ 0.873195660000000, 0.734534590000000, 0.865367650000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 114 coordinates: [ 0.765465410000000, 0.873195660000000, 0.615367650000000 ] mass: 72.640000 reduced_to: 98 - symbol: Ge # 115 coordinates: [ 0.734534590000000, 0.626804340000000, 0.115367650000000 ] mass: 72.640000 reduced_to: 99 - symbol: Ge # 116 coordinates: [ 0.126804340000000, 0.265465410000000, 0.865367650000000 ] mass: 72.640000 reduced_to: 100 - symbol: Ge # 117 coordinates: [ 0.626804340000000, 0.265465410000000, 0.884632350000000 ] mass: 72.640000 reduced_to: 101 - symbol: Ge # 118 coordinates: [ 0.734534590000000, 0.126804340000000, 0.134632350000000 ] mass: 72.640000 reduced_to: 102 - symbol: Ge # 119 coordinates: [ 0.765465410000000, 0.373195660000000, 0.634632350000000 ] mass: 72.640000 reduced_to: 103 - symbol: Ge # 120 coordinates: [ 0.373195660000000, 0.734534590000000, 0.884632350000000 ] mass: 72.640000 reduced_to: 104 - symbol: Ge # 121 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 122 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 106 - symbol: Ge # 123 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 107 - symbol: Ge # 124 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 108 - symbol: Ge # 125 coordinates: [ 0.500000000000000, 0.750000000000000, 0.125000000000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 126 coordinates: [ 0.750000000000000, 0.500000000000000, 0.875000000000000 ] mass: 72.640000 reduced_to: 110 - symbol: Ge # 127 coordinates: [ 0.750000000000000, 0.000000000000000, 0.375000000000000 ] mass: 72.640000 reduced_to: 111 - symbol: Ge # 128 coordinates: [ 0.000000000000000, 0.750000000000000, 0.625000000000000 ] mass: 72.640000 reduced_to: 112 - symbol: Cd # 129 coordinates: [ 0.000000000000000, 0.250000000000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 129 - symbol: Cd # 130 coordinates: [ 0.250000000000000, 0.000000000000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 130 - symbol: Cd # 131 coordinates: [ 0.250000000000000, 0.500000000000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 131 - symbol: Cd # 132 coordinates: [ 0.500000000000000, 0.250000000000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 132 - symbol: Cd # 133 coordinates: [ 0.000000000000000, 0.500000000000000, 0.498983050000000 ] mass: 112.411000 reduced_to: 133 - symbol: Cd # 134 coordinates: [ 0.500000000000000, 0.500000000000000, 0.748983050000000 ] mass: 112.411000 reduced_to: 134 - symbol: Cd # 135 coordinates: [ 0.500000000000000, 0.500000000000000, 0.251016950000000 ] mass: 112.411000 reduced_to: 135 - symbol: Cd # 136 coordinates: [ 0.000000000000000, 0.500000000000000, 0.001016950000000 ] mass: 112.411000 reduced_to: 136 - symbol: Cd # 137 coordinates: [ 0.373904460000000, 0.244695190000000, 0.868501940000000 ] mass: 112.411000 reduced_to: 137 - symbol: Cd # 138 coordinates: [ 0.255304810000000, 0.373904460000000, 0.618501940000000 ] mass: 112.411000 reduced_to: 138 - symbol: Cd # 139 coordinates: [ 0.744695190000000, 0.626095540000000, 0.618501940000000 ] mass: 112.411000 reduced_to: 139 - symbol: Cd # 140 coordinates: [ 0.126095540000000, 0.255304810000000, 0.368501940000000 ] mass: 112.411000 reduced_to: 140 - symbol: Cd # 141 coordinates: [ 0.126095540000000, 0.755304810000000, 0.881498060000000 ] mass: 112.411000 reduced_to: 141 - symbol: Cd # 142 coordinates: [ 0.244695190000000, 0.626095540000000, 0.131498060000000 ] mass: 112.411000 reduced_to: 142 - symbol: Cd # 143 coordinates: [ 0.755304810000000, 0.373904460000000, 0.131498060000000 ] mass: 112.411000 reduced_to: 143 - symbol: Cd # 144 coordinates: [ 0.373904460000000, 0.744695190000000, 0.381498060000000 ] mass: 112.411000 reduced_to: 144 - symbol: Cd # 145 coordinates: [ 0.500000000000000, 0.750000000000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 129 - symbol: Cd # 146 coordinates: [ 0.750000000000000, 0.500000000000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 130 - symbol: Cd # 147 coordinates: [ 0.750000000000000, 0.000000000000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 131 - symbol: Cd # 148 coordinates: [ 0.000000000000000, 0.750000000000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 132 - symbol: Cd # 149 coordinates: [ 0.500000000000000, 0.000000000000000, 0.998983050000000 ] mass: 112.411000 reduced_to: 133 - symbol: Cd # 150 coordinates: [ 0.000000000000000, 0.000000000000000, 0.248983050000000 ] mass: 112.411000 reduced_to: 134 - symbol: Cd # 151 coordinates: [ 0.000000000000000, 0.000000000000000, 0.751016950000000 ] mass: 112.411000 reduced_to: 135 - symbol: Cd # 152 coordinates: [ 0.500000000000000, 0.000000000000000, 0.501016950000000 ] mass: 112.411000 reduced_to: 136 - symbol: Cd # 153 coordinates: [ 0.873904460000000, 0.744695190000000, 0.368501940000000 ] mass: 112.411000 reduced_to: 137 - symbol: Cd # 154 coordinates: [ 0.755304810000000, 0.873904460000000, 0.118501940000000 ] mass: 112.411000 reduced_to: 138 - symbol: Cd # 155 coordinates: [ 0.244695190000000, 0.126095540000000, 0.118501940000000 ] mass: 112.411000 reduced_to: 139 - symbol: Cd # 156 coordinates: [ 0.626095540000000, 0.755304810000000, 0.868501940000000 ] mass: 112.411000 reduced_to: 140 - symbol: Cd # 157 coordinates: [ 0.626095540000000, 0.255304810000000, 0.381498060000000 ] mass: 112.411000 reduced_to: 141 - symbol: Cd # 158 coordinates: [ 0.744695190000000, 0.126095540000000, 0.631498060000000 ] mass: 112.411000 reduced_to: 142 - symbol: Cd # 159 coordinates: [ 0.255304810000000, 0.873904460000000, 0.631498060000000 ] mass: 112.411000 reduced_to: 143 - symbol: Cd # 160 coordinates: [ 0.873904460000000, 0.244695190000000, 0.881498060000000 ] mass: 112.411000 reduced_to: 144displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.2148532400000000, -0.0055773600000000, -0.0776229600000000 ] - [ 0.0016809300000000, 0.0000726900000000, 0.0004709400000000 ] - [ -0.0009657000000000, -0.0000771700000000, -0.0003547300000000 ] - [ 0.0002460200000000, 0.0002510000000000, -0.0003161500000000 ] - [ 0.0054594400000000, -0.0009638900000000, 0.0023124000000000 ] - [ -0.0025758100000000, 0.0073404600000000, 0.0069270900000000 ] - [ 0.0006402600000000, -0.0002324100000000, 0.0005192400000000 ] - [ -0.0006980800000000, -0.0002064400000000, 0.0006232300000000 ] - [ -0.0014262000000000, 0.0002800300000000, -0.0005690600000000 ] - [ 0.0004256600000000, 0.0002233100000000, -0.0000325000000000 ] - [ 0.0011631600000000, -0.0003081600000000, -0.0003888900000000 ] - [ -0.0007287100000000, -0.0000052700000000, -0.0006992600000000 ] - [ 0.0013297300000000, -0.0008058800000000, -0.0012711100000000 ] - [ -0.0009682000000000, 0.0000008200000000, 0.0000962000000000 ] - [ -0.0004547600000000, 0.0002107000000000, 0.0007088500000000 ] - [ 0.0017894700000000, 0.0001938400000000, -0.0000280300000000 ] - [ 0.0002009500000000, -0.0002734300000000, -0.0001317000000000 ] - [ -0.0013063300000000, -0.0014252000000000, 0.0014170000000000 ] - [ 0.0001328000000000, -0.0016908100000000, -0.0013380700000000 ] - [ 0.0005451000000000, -0.0000074500000000, 0.0001860200000000 ] - [ 0.0004061000000000, -0.0003012800000000, 0.0002203100000000 ] - [ 0.0001172200000000, 0.0015416600000000, -0.0017388500000000 ] - [ -0.0013835700000000, 0.0011470000000000, 0.0007565100000000 ] - [ 0.0006599600000000, 0.0001925300000000, 0.0003145200000000 ] - [ 0.0000046100000000, -0.0000199800000000, 0.0003323300000000 ] - [ 0.0010101000000000, -0.0019502600000000, 0.0007243600000000 ] - [ -0.0015181000000000, 0.0009116500000000, 0.0000829600000000 ] - [ 0.0032553300000000, -0.0190561300000000, -0.0018206800000000 ] - [ -0.0006730400000000, -0.0002649400000000, -0.0002676400000000 ] - [ 0.0009602200000000, -0.0001324100000000, -0.0001358500000000 ] - [ -0.0001934000000000, 0.0003673200000000, 0.0004140400000000 ] - [ 0.0146106600000000, 0.0117659100000000, 0.0055988700000000 ] - [ -0.0008348700000000, -0.0000615300000000, 0.0008448200000000 ] - [ 0.0002338400000000, -0.0002423800000000, 0.0006853300000000 ] - [ -0.0032922800000000, -0.0005052600000000, -0.0022627000000000 ] - [ 0.0022781800000000, 0.0000909300000000, 0.0006161000000000 ] - [ 0.0009829400000000, 0.0003368100000000, -0.0004971900000000 ] - [ -0.0009311700000000, 0.0004341400000000, -0.0006491100000000 ] - [ 0.0014423100000000, 0.0001120200000000, 0.0021106100000000 ] - [ 0.0024720300000000, -0.0104869900000000, -0.0057140300000000 ] - [ 0.0005637800000000, 0.0012051200000000, 0.0016863100000000 ] - [ -0.0004770300000000, 0.0003447900000000, 0.0005300100000000 ] - [ 0.0190411500000000, 0.0029594800000000, -0.0162805200000000 ] - [ -0.0021412000000000, -0.0012928400000000, 0.0015066300000000 ] - [ 0.0005635400000000, -0.0000686900000000, 0.0001925200000000 ] - [ -0.0000648300000000, -0.0002457800000000, -0.0004386300000000 ] - [ 0.0046836500000000, -0.0091651600000000, 0.0147079000000000 ] - [ -0.0012301100000000, 0.0003084500000000, 0.0003572300000000 ] - [ 0.0005869300000000, -0.0002020900000000, -0.0000918000000000 ] - [ -0.0001628600000000, 0.0004503800000000, -0.0002204900000000 ] - [ 0.0009894500000000, -0.0004495000000000, -0.0000037400000000 ] - [ 0.0302327200000000, 0.0074152100000000, -0.0039627900000000 ] - [ -0.0001777100000000, 0.0001293400000000, 0.0004516000000000 ] - [ 0.0002247900000000, 0.0002350400000000, 0.0006870500000000 ] - [ 0.0052188800000000, -0.0072980900000000, 0.0146049000000000 ] - [ 0.0032111700000000, -0.0003222100000000, -0.0003239000000000 ] - [ 0.0009111900000000, 0.0003576700000000, -0.0002556300000000 ] - [ -0.0005600400000000, 0.0004653300000000, -0.0002487900000000 ] - [ -0.0010598500000000, -0.0003532700000000, -0.0000190500000000 ] - [ 0.0003738200000000, 0.0003427100000000, -0.0002144300000000 ] - [ -0.0005250200000000, -0.0008427000000000, -0.0000601100000000 ] - [ 0.0010192700000000, -0.0000539200000000, 0.0000716800000000 ] - [ 0.0005156400000000, 0.0001111400000000, -0.0000342300000000 ] - [ -0.0006655100000000, -0.0000264400000000, 0.0000053400000000 ] - [ 0.0017618200000000, -0.0013620500000000, -0.0004170900000000 ] - [ 0.0011650200000000, 0.0001328200000000, -0.0001039000000000 ] - [ 0.0005316600000000, -0.0007482200000000, -0.0006638500000000 ] - [ -0.0007565100000000, -0.0017099900000000, 0.0002964700000000 ] - [ -0.0017105900000000, -0.0020133500000000, 0.0011735700000000 ] - [ 0.0002250700000000, 0.0001201200000000, -0.0003348600000000 ] - [ 0.0012682800000000, 0.0012044300000000, 0.0005844600000000 ] - [ 0.0001427600000000, 0.0025150200000000, -0.0009557700000000 ] - [ 0.0020692200000000, -0.0022809900000000, -0.0000721400000000 ] - [ 0.0012806700000000, -0.0012278300000000, 0.0008440000000000 ] - [ 0.0019101600000000, -0.0005595500000000, -0.0000010400000000 ] - [ 0.0003764900000000, -0.0003235000000000, 0.0001156600000000 ] - [ 0.0037659200000000, 0.0023482400000000, -0.0012730200000000 ] - [ -0.0047479100000000, 0.0020712200000000, -0.0024657300000000 ] - [ 0.0002347300000000, 0.0016382300000000, 0.0007759200000000 ] - [ 0.0002399300000000, 0.0005377000000000, 0.0001308900000000 ] - [ 0.0024678000000000, 0.0008781300000000, -0.0002267300000000 ] - [ 0.0017325400000000, 0.0006172400000000, 0.0014511000000000 ] - [ 0.0001259700000000, 0.0003487700000000, 0.0002949600000000 ] - [ -0.0001849000000000, 0.0001299400000000, 0.0006427800000000 ] - [ -0.0033517100000000, 0.0037529600000000, -0.0005197400000000 ] - [ 0.0006561500000000, 0.0005163300000000, -0.0010660700000000 ] - [ 0.0005556400000000, -0.0005680200000000, -0.0003682900000000 ] - [ 0.0000868400000000, -0.0004546400000000, -0.0003797500000000 ] - [ 0.0023137300000000, 0.0017064000000000, 0.0014433900000000 ] - [ 0.0036555800000000, 0.0005262000000000, 0.0023839500000000 ] - [ 0.0003255100000000, -0.0000785800000000, 0.0000595000000000 ] - [ 0.0011356300000000, 0.0000587100000000, -0.0003213600000000 ] - [ -0.0022023900000000, 0.0002113200000000, -0.0009735300000000 ] - [ 0.0023460700000000, -0.0016142700000000, -0.0029402200000000 ] - [ 0.0002962600000000, -0.0001494600000000, 0.0001809500000000 ] - [ 0.0005020100000000, 0.0005563700000000, 0.0001323200000000 ] - [ 0.0003079600000000, 0.0006063300000000, 0.0005861500000000 ] - [ -0.0031544300000000, 0.0046710500000000, -0.0040498000000000 ] - [ 0.0018749500000000, -0.0002937900000000, 0.0017783100000000 ] - [ -0.0018164400000000, -0.0000533300000000, 0.0005343600000000 ] - [ 0.0011455800000000, -0.0000359400000000, -0.0014745800000000 ] - [ 0.0066146600000000, -0.0070487900000000, 0.0097068000000000 ] - [ -0.0000398100000000, -0.0000711000000000, -0.0014254400000000 ] - [ 0.0003474100000000, -0.0004167900000000, -0.0016707000000000 ] - [ 0.0006009700000000, 0.0000754600000000, -0.0003321700000000 ] - [ -0.0005072800000000, -0.0001590800000000, -0.0003387200000000 ] - [ -0.0015997000000000, -0.0003032800000000, 0.0009033900000000 ] - [ 0.0010986800000000, -0.0002267000000000, 0.0002201500000000 ] - [ 0.0008754900000000, -0.0059693400000000, -0.0006412600000000 ] - [ 0.0004576300000000, 0.0000820100000000, -0.0002213400000000 ] - [ 0.0346778600000000, -0.0069126700000000, 0.0026054200000000 ] - [ -0.0019834300000000, 0.0006734400000000, -0.0002684100000000 ] - [ -0.0023340800000000, 0.0039216200000000, 0.0000033500000000 ] - [ -0.0015893600000000, 0.0015107300000000, 0.0009957500000000 ] - [ -0.0018220400000000, 0.0005826200000000, 0.0023180200000000 ] - [ 0.0096772000000000, 0.0036803700000000, -0.0020414900000000 ] - [ -0.0038530800000000, -0.0017394400000000, -0.0016183900000000 ] - [ -0.0004109800000000, -0.0008198700000000, -0.0004956200000000 ] - [ -0.0021101300000000, -0.0016766500000000, -0.0030526300000000 ] - [ -0.0050588500000000, -0.0064212300000000, 0.0022985700000000 ] - [ -0.0042173200000000, -0.0000709800000000, -0.0009604500000000 ] - [ 0.0909238200000000, 0.0233633600000000, 0.0592801100000000 ] - [ 0.0010963900000000, 0.0002119900000000, 0.0000396200000000 ] - [ -0.0009995300000000, -0.0001701900000000, 0.0001836100000000 ] - [ -0.0021113400000000, -0.0002569800000000, -0.0015080700000000 ] - [ -0.0154335800000000, 0.0052139000000000, 0.0045792400000000 ] - [ -0.0004514600000000, -0.0000581300000000, -0.0003512900000000 ] - [ 0.0059756700000000, 0.0084008100000000, -0.0018061500000000 ] - [ 0.0011044700000000, -0.0002885900000000, 0.0006557900000000 ] - [ 0.0004722400000000, -0.0002608000000000, -0.0000029200000000 ] - [ 0.0006600300000000, -0.0000223600000000, -0.0001224000000000 ] - [ -0.0012513200000000, 0.0003036000000000, 0.0001092900000000 ] - [ 0.0020301800000000, -0.0007111700000000, -0.0040114600000000 ] - [ -0.0051003100000000, 0.0012628600000000, -0.0003009200000000 ] - [ -0.0012553800000000, 0.0000205200000000, 0.0000938700000000 ] - [ 0.0098958400000000, 0.0010832000000000, -0.0015239200000000 ] - [ -0.0024617900000000, 0.0014386200000000, -0.0006956400000000 ] - [ 0.0022647700000000, 0.0020160400000000, 0.0032911400000000 ] - [ -0.0037789900000000, 0.0008592100000000, -0.0013586200000000 ] - [ 0.0009710200000000, 0.0005293400000000, -0.0008700700000000 ] - [ 0.0062939000000000, -0.0024495800000000, 0.0000488200000000 ] - [ 0.0006506000000000, -0.0011359200000000, -0.0032407000000000 ] - [ -0.0000343500000000, -0.0004085100000000, 0.0011237700000000 ] - [ -0.0002032100000000, -0.0008093100000000, 0.0005310300000000 ] - [ -0.0015326400000000, -0.0006494200000000, 0.0006747400000000 ] - [ -0.0007632600000000, 0.0000212400000000, -0.0005714000000000 ] - [ -0.0005147300000000, 0.0001720900000000, 0.0000573200000000 ] - [ 0.0014182600000000, 0.0006532500000000, 0.0014872600000000 ] - [ -0.0007128800000000, -0.0005141900000000, -0.0005381600000000 ] - [ 0.0004464000000000, 0.0000760800000000, -0.0004464700000000 ] - [ 0.0007951000000000, 0.0003647700000000, 0.0004944000000000 ] - [ -0.0004722000000000, -0.0000293300000000, 0.0005662900000000 ] - [ -0.0000173200000000, -0.0002388200000000, -0.0006177300000000 ] - [ 0.0000196900000000, 0.0003236500000000, 0.0001433800000000 ] - [ -0.0002426000000000, 0.0005996600000000, -0.0005607500000000 ] - [ -0.0025337600000000, 0.0007556300000000, -0.0000827000000000 ] - [ -0.0007788600000000, 0.0005379600000000, -0.0000461400000000 ] - [ -0.0011862000000000, -0.0005391300000000, -0.0000261600000000 ] - [ 0.0010518500000000, -0.0008170300000000, 0.0007642700000000 ] - [ 0.0000511200000000, -0.0040949100000000, 0.0010012600000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.2141382900000000, 0.0082970400000000, 0.0794443200000000 ] - [ -0.0012142200000000, -0.0001512600000000, -0.0011806500000000 ] - [ 0.0005051500000000, 0.0001486500000000, -0.0003564200000000 ] - [ -0.0001661100000000, 0.0002103800000000, -0.0003987600000000 ] - [ -0.0053993800000000, 0.0014181500000000, -0.0016009500000000 ] - [ 0.0021594200000000, -0.0072163300000000, -0.0061989300000000 ] - [ -0.0001783600000000, 0.0001547500000000, 0.0001968400000000 ] - [ 0.0006166100000000, -0.0002537900000000, 0.0000928400000000 ] - [ 0.0018038700000000, -0.0000553100000000, 0.0003779200000000 ] - [ -0.0006542200000000, 0.0001606000000000, -0.0001447300000000 ] - [ -0.0009322800000000, -0.0000769100000000, 0.0002109100000000 ] - [ 0.0003501200000000, -0.0002169700000000, 0.0005165000000000 ] - [ -0.0017095100000000, 0.0005693500000000, 0.0014378500000000 ] - [ 0.0011934000000000, -0.0003835000000000, 0.0000798300000000 ] - [ 0.0002298000000000, 0.0001729100000000, -0.0005338200000000 ] - [ -0.0013997000000000, 0.0000355300000000, 0.0001986300000000 ] - [ 0.0005117000000000, 0.0003153100000000, -0.0000155100000000 ] - [ 0.0012563300000000, 0.0021271900000000, -0.0015531800000000 ] - [ -0.0000900300000000, 0.0009760500000000, 0.0011910600000000 ] - [ -0.0002705200000000, 0.0003536400000000, -0.0004339500000000 ] - [ -0.0011174900000000, 0.0002588900000000, -0.0003673600000000 ] - [ -0.0000844700000000, -0.0022397900000000, 0.0018752100000000 ] - [ 0.0013319300000000, -0.0004281100000000, -0.0006070400000000 ] - [ 0.0000596800000000, -0.0001510200000000, -0.0001645200000000 ] - [ 0.0000301400000000, 0.0004728000000000, -0.0001337300000000 ] - [ -0.0014534600000000, 0.0019798800000000, -0.0005229900000000 ] - [ 0.0019578300000000, -0.0009377900000000, 0.0001154400000000 ] - [ -0.0033303700000000, 0.0184262600000000, 0.0019769600000000 ] - [ 0.0006353100000000, -0.0001881100000000, 0.0000705500000000 ] - [ -0.0005074400000000, 0.0000973900000000, -0.0000615500000000 ] - [ -0.0002593400000000, -0.0003291500000000, -0.0006089000000000 ] - [ -0.0143357500000000, -0.0110861700000000, -0.0056374400000000 ] - [ 0.0001932100000000, -0.0005404300000000, -0.0000870100000000 ] - [ 0.0003686600000000, -0.0003972300000000, 0.0000699100000000 ] - [ 0.0026637400000000, 0.0011433000000000, 0.0030078200000000 ] - [ -0.0016364700000000, 0.0005092400000000, 0.0001370600000000 ] - [ -0.0003405300000000, 0.0002683300000000, -0.0002563700000000 ] - [ 0.0003224900000000, 0.0002052400000000, -0.0001042200000000 ] - [ -0.0008333100000000, -0.0007511400000000, -0.0028549000000000 ] - [ -0.0030541900000000, 0.0099300400000000, 0.0050126400000000 ] - [ -0.0002771000000000, -0.0008481900000000, -0.0014215600000000 ] - [ 0.0001269600000000, -0.0000701100000000, -0.0002805900000000 ] - [ -0.0183194300000000, -0.0031748500000000, 0.0161865100000000 ] - [ 0.0018674600000000, 0.0009461400000000, -0.0012519300000000 ] - [ -0.0008348400000000, -0.0002781600000000, -0.0004388300000000 ] - [ 0.0004137100000000, -0.0000273600000000, 0.0001910800000000 ] - [ -0.0050552900000000, 0.0093470000000000, -0.0147938500000000 ] - [ 0.0005104500000000, -0.0003501700000000, -0.0002088600000000 ] - [ -0.0006623800000000, -0.0002585300000000, -0.0006219200000000 ] - [ 0.0006247300000000, -0.0005242900000000, -0.0004943500000000 ] - [ -0.0014489700000000, 0.0005224000000000, -0.0007069400000000 ] - [ -0.0307083100000000, -0.0072050100000000, 0.0032908700000000 ] - [ 0.0002563700000000, 0.0003309500000000, 0.0002646300000000 ] - [ -0.0006843800000000, -0.0001540800000000, 0.0000318800000000 ] - [ -0.0047548600000000, 0.0072607700000000, -0.0140062000000000 ] - [ -0.0032830400000000, -0.0001394000000000, 0.0010383900000000 ] - [ -0.0005257500000000, -0.0001294000000000, 0.0000784600000000 ] - [ 0.0003344100000000, -0.0000814700000000, 0.0000723900000000 ] - [ 0.0012852500000000, -0.0000327600000000, -0.0001578400000000 ] - [ -0.0007567500000000, -0.0005675800000000, 0.0000374100000000 ] - [ 0.0001417600000000, 0.0006144000000000, 0.0002358500000000 ] - [ -0.0007885600000000, -0.0003278900000000, 0.0001036300000000 ] - [ -0.0007427400000000, 0.0002737500000000, 0.0002096900000000 ] - [ 0.0010477300000000, 0.0002543700000000, 0.0001698200000000 ] - [ -0.0010359300000000, 0.0014002500000000, 0.0002721600000000 ] - [ -0.0012011800000000, 0.0005853400000000, -0.0000464700000000 ] - [ -0.0004825700000000, 0.0000366400000000, 0.0005179300000000 ] - [ 0.0010389700000000, 0.0020518700000000, -0.0005442500000000 ] - [ 0.0009967400000000, 0.0019627200000000, -0.0013153000000000 ] - [ -0.0001785300000000, -0.0008348200000000, 0.0004832700000000 ] - [ -0.0013087000000000, -0.0004914700000000, -0.0004402300000000 ] - [ 0.0005595400000000, -0.0024545800000000, 0.0010906200000000 ] - [ -0.0020262900000000, 0.0027529500000000, 0.0002667700000000 ] - [ -0.0017268000000000, 0.0012575200000000, -0.0006434300000000 ] - [ -0.0014551900000000, 0.0005263300000000, 0.0002011500000000 ] - [ -0.0004083000000000, -0.0001262100000000, 0.0000836600000000 ] - [ -0.0038215300000000, -0.0028199500000000, 0.0010877800000000 ] - [ 0.0051603200000000, -0.0021392100000000, 0.0023046900000000 ] - [ -0.0006690600000000, -0.0016068200000000, -0.0009854200000000 ] - [ -0.0002022100000000, -0.0000852400000000, -0.0003295200000000 ] - [ -0.0030942700000000, -0.0014733300000000, 0.0009726100000000 ] - [ -0.0011148700000000, -0.0012508200000000, -0.0007017800000000 ] - [ -0.0007282700000000, 0.0002910900000000, 0.0004579600000000 ] - [ 0.0008253100000000, 0.0004730700000000, 0.0001115800000000 ] - [ 0.0039989600000000, -0.0031261100000000, -0.0002321000000000 ] - [ -0.0012587900000000, 0.0001227300000000, 0.0003161800000000 ] - [ 0.0000521400000000, -0.0000748900000000, -0.0003851600000000 ] - [ -0.0007279200000000, -0.0001502400000000, -0.0003744500000000 ] - [ -0.0020204900000000, -0.0013393900000000, -0.0011818200000000 ] - [ -0.0040213600000000, -0.0002556400000000, -0.0021574900000000 ] - [ 0.0000245400000000, -0.0001962200000000, 0.0001915200000000 ] - [ -0.0014109600000000, -0.0004089500000000, 0.0005721500000000 ] - [ 0.0019194300000000, -0.0005569500000000, 0.0007147900000000 ] - [ -0.0019948500000000, 0.0013531500000000, 0.0027084600000000 ] - [ -0.0006414600000000, 0.0004230500000000, -0.0004294200000000 ] - [ -0.0012162900000000, -0.0006020400000000, 0.0000132300000000 ] - [ 0.0008541800000000, -0.0000468100000000, 0.0009426900000000 ] - [ 0.0025835800000000, -0.0035114800000000, 0.0055778300000000 ] - [ -0.0013089700000000, -0.0008705200000000, -0.0002454500000000 ] - [ 0.0006522500000000, -0.0005059000000000, 0.0009921800000000 ] - [ -0.0022985400000000, -0.0005198900000000, -0.0000573400000000 ] - [ -0.0059656600000000, 0.0058492500000000, -0.0111978500000000 ] - [ -0.0005123500000000, 0.0012291600000000, -0.0001055300000000 ] - [ 0.0008049800000000, 0.0009714000000000, 0.0001363300000000 ] - [ -0.0006013600000000, -0.0000737200000000, 0.0003263500000000 ] - [ 0.0005085700000000, 0.0001567300000000, 0.0003358300000000 ] - [ 0.0015962500000000, 0.0003030400000000, -0.0008944700000000 ] - [ -0.0011006800000000, 0.0002220800000000, -0.0002147500000000 ] - [ -0.0008892600000000, 0.0059106400000000, 0.0006412200000000 ] - [ -0.0004537300000000, -0.0000824000000000, 0.0002194000000000 ] - [ -0.0306615200000000, 0.0057569400000000, -0.0014914400000000 ] - [ 0.0019813700000000, -0.0006708000000000, 0.0002634300000000 ] - [ 0.0034650000000000, -0.0033704300000000, 0.0015005500000000 ] - [ 0.0010234400000000, -0.0003491900000000, 0.0005321400000000 ] - [ 0.0023752900000000, -0.0017471300000000, -0.0007967700000000 ] - [ -0.0108080200000000, -0.0042594300000000, 0.0035627200000000 ] - [ 0.0026966600000000, 0.0011882900000000, 0.0000939700000000 ] - [ 0.0009679700000000, -0.0003379100000000, -0.0010331100000000 ] - [ 0.0015417100000000, 0.0028428800000000, 0.0015444000000000 ] - [ 0.0061977900000000, 0.0069383400000000, -0.0038002100000000 ] - [ 0.0042103400000000, 0.0000786500000000, 0.0009579000000000 ] - [ -0.0943939900000000, -0.0251267000000000, -0.0631617400000000 ] - [ -0.0010962100000000, -0.0002113000000000, -0.0000381700000000 ] - [ 0.0009988800000000, 0.0001688000000000, -0.0001822100000000 ] - [ 0.0021046300000000, 0.0002552000000000, 0.0014963900000000 ] - [ 0.0154801500000000, -0.0052503300000000, -0.0045898300000000 ] - [ 0.0004481300000000, 0.0000570600000000, 0.0003496800000000 ] - [ -0.0059826500000000, -0.0083785500000000, 0.0017832400000000 ] - [ -0.0011022100000000, 0.0002863200000000, -0.0006519400000000 ] - [ -0.0004673800000000, 0.0002576900000000, 0.0000036300000000 ] - [ -0.0006549100000000, 0.0000225900000000, 0.0001204200000000 ] - [ 0.0012516500000000, -0.0002995000000000, -0.0001082500000000 ] - [ -0.0020284000000000, 0.0007194300000000, 0.0030775100000000 ] - [ 0.0050809600000000, -0.0012541900000000, -0.0006195800000000 ] - [ 0.0012537800000000, -0.0000191800000000, 0.0008206200000000 ] - [ -0.0100261700000000, -0.0011767400000000, 0.0027171200000000 ] - [ 0.0024756100000000, -0.0025516000000000, 0.0003358300000000 ] - [ -0.0011319800000000, -0.0019947900000000, -0.0036489400000000 ] - [ 0.0026525700000000, -0.0008711000000000, 0.0009987500000000 ] - [ -0.0009763200000000, 0.0005841700000000, 0.0005028900000000 ] - [ -0.0062562200000000, 0.0035911400000000, 0.0003331700000000 ] - [ -0.0017524200000000, 0.0011241400000000, 0.0035825300000000 ] - [ 0.0011433700000000, 0.0004195200000000, -0.0007674800000000 ] - [ 0.0002150100000000, -0.0003056000000000, -0.0001683800000000 ] - [ 0.0015285300000000, 0.0006432200000000, -0.0006693100000000 ] - [ 0.0007590200000000, -0.0000205200000000, 0.0005696000000000 ] - [ 0.0005115100000000, -0.0001690500000000, -0.0000574600000000 ] - [ -0.0014158600000000, -0.0006462500000000, -0.0014808000000000 ] - [ 0.0007122000000000, 0.0005107700000000, -0.0003789400000000 ] - [ -0.0004460100000000, -0.0000764100000000, -0.0004710700000000 ] - [ -0.0007955800000000, -0.0003624600000000, 0.0004239900000000 ] - [ 0.0004727700000000, 0.0000287000000000, 0.0003512400000000 ] - [ 0.0000256800000000, -0.0008740700000000, 0.0002537300000000 ] - [ 0.0010907300000000, -0.0003134400000000, -0.0005045100000000 ] - [ -0.0008685200000000, -0.0006084800000000, 0.0001987000000000 ] - [ 0.0025154100000000, 0.0003537200000000, -0.0002798200000000 ] - [ 0.0007661000000000, 0.0005762800000000, 0.0004078700000000 ] - [ 0.0000699100000000, 0.0005294400000000, 0.0003895200000000 ] - [ 0.0000728800000000, 0.0008289000000000, -0.0004017400000000 ] - [ -0.0000510500000000, 0.0029991100000000, -0.0006430300000000 ]- atom: 1 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0070061400000000, -0.0694177300000000, -0.0261553300000000 ] - [ 0.0005638100000000, -0.0007760800000000, -0.0001792500000000 ] - [ -0.0005648400000000, 0.0014898800000000, -0.0010963200000000 ] - [ 0.0000596900000000, 0.0004707100000000, -0.0003164400000000 ] - [ -0.0011578900000000, -0.0010815900000000, 0.0000678500000000 ] - [ 0.0031753300000000, 0.0050219400000000, 0.0086209100000000 ] - [ 0.0001805600000000, 0.0004148600000000, 0.0002206700000000 ] - [ -0.0000145200000000, 0.0002076800000000, 0.0003459100000000 ] - [ 0.0002822200000000, -0.0009695900000000, 0.0005177700000000 ] - [ -0.0000688100000000, -0.0001465400000000, -0.0001813800000000 ] - [ 0.0001772500000000, -0.0004110200000000, -0.0001186300000000 ] - [ -0.0001350200000000, -0.0008028500000000, -0.0006364300000000 ] - [ -0.0003055600000000, -0.0006766900000000, 0.0001440500000000 ] - [ 0.0001076000000000, -0.0006528500000000, 0.0003413200000000 ] - [ -0.0001123200000000, -0.0002901300000000, -0.0000848100000000 ] - [ 0.0002596600000000, -0.0003424000000000, -0.0000548000000000 ] - [ 0.0002078800000000, -0.0000546700000000, 0.0000619300000000 ] - [ -0.0001756900000000, 0.0005089200000000, -0.0005177200000000 ] - [ -0.0004379000000000, 0.0008413200000000, 0.0009532300000000 ] - [ 0.0000270800000000, 0.0001893700000000, -0.0002283700000000 ] - [ -0.0004097300000000, -0.0001796700000000, -0.0001039500000000 ] - [ 0.0011243300000000, -0.0006739500000000, -0.0005804500000000 ] - [ 0.0005643900000000, 0.0011603900000000, 0.0011284500000000 ] - [ 0.0006367000000000, -0.0001093200000000, 0.0002176500000000 ] - [ 0.0000238400000000, 0.0005765300000000, 0.0000791400000000 ] - [ -0.0007829100000000, 0.0004175400000000, -0.0002957500000000 ] - [ -0.0003405900000000, 0.0010328900000000, 0.0005887700000000 ] - [ -0.0127708400000000, 0.0142501000000000, 0.0013035600000000 ] - [ 0.0001638700000000, 0.0001989600000000, -0.0003580400000000 ] - [ 0.0003325200000000, 0.0000897800000000, -0.0001615400000000 ] - [ 0.0001079100000000, 0.0000813100000000, 0.0001849300000000 ] - [ 0.0093469900000000, 0.0025756600000000, 0.0037726600000000 ] - [ -0.0003292200000000, 0.0000315600000000, 0.0006195900000000 ] - [ 0.0003860000000000, 0.0004361200000000, 0.0003441800000000 ] - [ -0.0005663200000000, -0.0014603600000000, -0.0000972000000000 ] - [ -0.0001065000000000, 0.0002347200000000, 0.0003700100000000 ] - [ 0.0004039800000000, 0.0003719700000000, -0.0004557000000000 ] - [ -0.0002697400000000, 0.0015314700000000, -0.0005259700000000 ] - [ -0.0002074500000000, -0.0010696700000000, -0.0013229400000000 ] - [ -0.0107061900000000, 0.0053849900000000, 0.0056984700000000 ] - [ 0.0011950800000000, 0.0010193000000000, 0.0016980300000000 ] - [ -0.0001661700000000, 0.0006598400000000, 0.0003973000000000 ] - [ 0.0030350500000000, -0.0038479400000000, -0.0013752600000000 ] - [ -0.0002611500000000, -0.0002578300000000, -0.0011842800000000 ] - [ -0.0000946700000000, -0.0002473300000000, -0.0000449100000000 ] - [ 0.0000953800000000, 0.0005564100000000, 0.0002444500000000 ] - [ -0.0047268000000000, 0.0004693600000000, -0.0057213500000000 ] - [ -0.0001896400000000, -0.0002998600000000, 0.0000216600000000 ] - [ -0.0000126600000000, -0.0000211900000000, -0.0003286600000000 ] - [ 0.0003096200000000, 0.0011818600000000, 0.0000788400000000 ] - [ -0.0003097400000000, -0.0003545600000000, -0.0003631500000000 ] - [ 0.0073486600000000, -0.0026756700000000, -0.0008976700000000 ] - [ -0.0000617400000000, 0.0005738600000000, 0.0002806500000000 ] - [ -0.0001808800000000, 0.0004489500000000, 0.0006021200000000 ] - [ -0.0032033300000000, -0.0024061000000000, -0.0036351600000000 ] - [ -0.0001294000000000, -0.0006974600000000, 0.0003764500000000 ] - [ 0.0001784000000000, 0.0005700700000000, -0.0001344700000000 ] - [ -0.0002125800000000, 0.0012775800000000, -0.0002654300000000 ] - [ -0.0000964900000000, 0.0013497600000000, 0.0001764200000000 ] - [ 0.0000213600000000, 0.0004047200000000, -0.0001557100000000 ] - [ -0.0002195800000000, 0.0009021400000000, 0.0002397200000000 ] - [ -0.0000966100000000, 0.0003047200000000, -0.0000641000000000 ] - [ -0.0003910600000000, 0.0009519700000000, 0.0001829900000000 ] - [ 0.0003799800000000, 0.0012019200000000, 0.0001002700000000 ] - [ -0.0011947100000000, 0.0011252700000000, -0.0001584900000000 ] - [ -0.0001116800000000, 0.0004750400000000, -0.0001788900000000 ] - [ -0.0004847400000000, -0.0006234100000000, 0.0002993900000000 ] - [ -0.0008788700000000, 0.0010104400000000, -0.0011042700000000 ] - [ -0.0007140600000000, 0.0024555400000000, -0.0012271400000000 ] - [ 0.0005063800000000, 0.0000531500000000, -0.0002205600000000 ] - [ 0.0002376000000000, 0.0003606700000000, 0.0002970200000000 ] - [ 0.0015623300000000, 0.0013748300000000, -0.0001273000000000 ] - [ -0.0008412700000000, -0.0014130200000000, -0.0001065700000000 ] - [ -0.0007780100000000, 0.0002074400000000, -0.0003969800000000 ] - [ 0.0002834500000000, -0.0002564200000000, 0.0002556600000000 ] - [ -0.0000160900000000, -0.0000460600000000, 0.0001333900000000 ] - [ 0.0005031100000000, -0.0001447300000000, -0.0003347500000000 ] - [ 0.0017706000000000, 0.0045570200000000, -0.0072599400000000 ] - [ 0.0010580400000000, 0.0003786100000000, 0.0001116300000000 ] - [ 0.0002729300000000, 0.0006946900000000, -0.0000008000000000 ] - [ 0.0005331300000000, -0.0004701100000000, -0.0001301600000000 ] - [ 0.0004163900000000, -0.0011754300000000, 0.0005626700000000 ] - [ -0.0002721800000000, 0.0007770800000000, 0.0004822700000000 ] - [ 0.0002732200000000, 0.0004948400000000, 0.0003139200000000 ] - [ 0.0020076300000000, 0.0043904300000000, -0.0025338900000000 ] - [ -0.0002800300000000, -0.0000528400000000, -0.0003451600000000 ] - [ 0.0001658900000000, 0.0002875900000000, -0.0004369600000000 ] - [ -0.0004021500000000, -0.0001699400000000, -0.0003055400000000 ] - [ 0.0010500100000000, 0.0007536000000000, 0.0008387700000000 ] - [ 0.0005833300000000, -0.0002502500000000, 0.0006358300000000 ] - [ 0.0001677600000000, 0.0001928300000000, 0.0000701500000000 ] - [ -0.0001932300000000, 0.0000143400000000, -0.0000401800000000 ] - [ 0.0005354300000000, 0.0013432100000000, 0.0005987800000000 ] - [ 0.0000474300000000, -0.0013638000000000, -0.0005568900000000 ] - [ -0.0002593100000000, 0.0004554700000000, -0.0002885300000000 ] - [ -0.0002889000000000, 0.0003712400000000, 0.0000706500000000 ] - [ 0.0007049500000000, 0.0000507700000000, 0.0007108900000000 ] - [ 0.0007168500000000, -0.0003922800000000, 0.0026568200000000 ] - [ 0.0002181100000000, -0.0024575100000000, 0.0005876000000000 ] - [ -0.0006087600000000, -0.0002972600000000, 0.0007477100000000 ] - [ -0.0009826200000000, -0.0004936600000000, -0.0001435400000000 ] - [ -0.0033880100000000, 0.0024144100000000, 0.0030393400000000 ] - [ -0.0009569300000000, -0.0005966200000000, -0.0013201900000000 ] - [ -0.0000951000000000, -0.0002046800000000, -0.0014016200000000 ] - [ 0.0002363000000000, -0.0013472700000000, 0.0002238200000000 ] - [ 0.0000670200000000, -0.0004988300000000, -0.0000409600000000 ] - [ 0.0000382500000000, 0.0004903700000000, 0.0000258800000000 ] - [ 0.0002839600000000, 0.0010951600000000, 0.0000517500000000 ] - [ -0.0016871300000000, -0.0053294300000000, -0.0015102900000000 ] - [ -0.0002058700000000, -0.0008748900000000, -0.0002438500000000 ] - [ -0.0106780600000000, 0.0209417900000000, -0.0004332900000000 ] - [ 0.0004782700000000, -0.0001494100000000, 0.0003489200000000 ] - [ 0.0052446800000000, -0.0006055200000000, 0.0036200000000000 ] - [ 0.0002403800000000, -0.0001113200000000, 0.0009367100000000 ] - [ 0.0005535300000000, 0.0003189300000000, 0.0007305500000000 ] - [ -0.0020603000000000, -0.0073176900000000, 0.0020152600000000 ] - [ -0.0006538900000000, -0.0006390000000000, -0.0006949300000000 ] - [ 0.0000237100000000, -0.0012828700000000, -0.0006303400000000 ] - [ -0.0011243100000000, 0.0011094800000000, -0.0015764100000000 ] - [ -0.0024479700000000, -0.0015191300000000, 0.0004524500000000 ] - [ -0.0000669100000000, 0.0009989800000000, 0.0002261600000000 ] - [ 0.0258480200000000, 0.0292111600000000, 0.0246383500000000 ] - [ 0.0001200900000000, -0.0016514400000000, -0.0002557000000000 ] - [ 0.0000452900000000, -0.0008337000000000, -0.0000214100000000 ] - [ -0.0004135300000000, 0.0001838900000000, -0.0006976900000000 ] - [ -0.0030455800000000, 0.0026205700000000, 0.0011515900000000 ] - [ -0.0000256800000000, -0.0006318800000000, 0.0000424200000000 ] - [ 0.0026454900000000, -0.0019006400000000, 0.0028977600000000 ] - [ -0.0003439800000000, -0.0005018700000000, 0.0012790300000000 ] - [ 0.0000193400000000, -0.0018838100000000, -0.0001616100000000 ] - [ -0.0000549000000000, 0.0005111300000000, 0.0002150500000000 ] - [ 0.0003486100000000, -0.0000334700000000, -0.0002496700000000 ] - [ -0.0003425900000000, 0.0023605000000000, -0.0010881900000000 ] - [ -0.0004173200000000, 0.0008736400000000, -0.0005431400000000 ] - [ 0.0001706000000000, 0.0003541700000000, 0.0004369400000000 ] - [ 0.0012682000000000, 0.0050696300000000, -0.0018137400000000 ] - [ 0.0023570700000000, -0.0020481000000000, 0.0006787700000000 ] - [ 0.0020871700000000, 0.0009751800000000, -0.0025294900000000 ] - [ 0.0000326800000000, 0.0005558700000000, -0.0000213600000000 ] - [ 0.0001350800000000, 0.0004646300000000, -0.0004186900000000 ] - [ -0.0006376700000000, -0.0049145300000000, -0.0019941200000000 ] - [ -0.0005920100000000, 0.0012389300000000, -0.0010691700000000 ] - [ 0.0003427000000000, 0.0002914800000000, 0.0003448000000000 ] - [ -0.0001520900000000, -0.0004974400000000, 0.0003243900000000 ] - [ -0.0003285300000000, -0.0000595300000000, 0.0002564900000000 ] - [ -0.0000585300000000, 0.0003601900000000, -0.0000655800000000 ] - [ 0.0000386800000000, -0.0008282100000000, 0.0000219900000000 ] - [ -0.0001031600000000, -0.0003551800000000, -0.0019699800000000 ] - [ -0.0000363600000000, -0.0006096200000000, -0.0004657200000000 ] - [ -0.0000247700000000, -0.0006035900000000, -0.0005015700000000 ] - [ -0.0000697500000000, -0.0015744200000000, 0.0005316200000000 ] - [ 0.0000541600000000, -0.0003604000000000, 0.0004998700000000 ] - [ 0.0002091400000000, -0.0004944000000000, -0.0000373000000000 ] - [ 0.0007999000000000, -0.0003968300000000, -0.0005109000000000 ] - [ -0.0003572000000000, -0.0007726600000000, 0.0003307500000000 ] - [ 0.0000209100000000, 0.0006335100000000, -0.0001375500000000 ] - [ -0.0000657400000000, 0.0005339400000000, 0.0001429100000000 ] - [ -0.0007492100000000, -0.0006206000000000, 0.0001100700000000 ] - [ -0.0003027900000000, -0.0015928700000000, 0.0008720400000000 ] - [ -0.0014057700000000, -0.0016511800000000, 0.0001434800000000 ]- atom: 1 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0068567100000000, 0.0680142400000000, 0.0254871000000000 ] - [ -0.0001041100000000, 0.0006944600000000, -0.0005349800000000 ] - [ 0.0001021500000000, -0.0014088000000000, 0.0003802600000000 ] - [ 0.0000177900000000, -0.0000092000000000, -0.0003974400000000 ] - [ 0.0012272600000000, 0.0015447300000000, 0.0006431200000000 ] - [ -0.0036630100000000, -0.0049522600000000, -0.0079832900000000 ] - [ 0.0002790000000000, -0.0004932000000000, 0.0004925500000000 ] - [ -0.0000616300000000, -0.0006682600000000, 0.0003663400000000 ] - [ 0.0001032200000000, 0.0011930100000000, -0.0007012600000000 ] - [ -0.0001594200000000, 0.0005288800000000, 0.0000052300000000 ] - [ 0.0000491400000000, 0.0000271700000000, -0.0000565700000000 ] - [ -0.0002482100000000, 0.0005789800000000, 0.0004604800000000 ] - [ -0.0000795300000000, 0.0004519800000000, 0.0000338400000000 ] - [ 0.0001207700000000, 0.0002699000000000, -0.0001662200000000 ] - [ -0.0001141400000000, 0.0006726700000000, 0.0002596700000000 ] - [ 0.0001230800000000, 0.0005677600000000, 0.0002315800000000 ] - [ 0.0005063800000000, 0.0000984600000000, -0.0002093500000000 ] - [ 0.0001375700000000, 0.0002121900000000, 0.0003678200000000 ] - [ 0.0004811400000000, -0.0015582500000000, -0.0011059400000000 ] - [ 0.0002472800000000, 0.0001618600000000, -0.0000196800000000 ] - [ -0.0003048900000000, 0.0001356100000000, -0.0000429700000000 ] - [ -0.0010752700000000, -0.0000487100000000, 0.0007289300000000 ] - [ -0.0006016200000000, -0.0004436000000000, -0.0009764800000000 ] - [ 0.0000788400000000, 0.0001507600000000, -0.0000693700000000 ] - [ 0.0000104300000000, -0.0001247500000000, 0.0001179900000000 ] - [ 0.0003291900000000, -0.0003844000000000, 0.0004927100000000 ] - [ 0.0007905100000000, -0.0010650500000000, -0.0003934600000000 ] - [ 0.0129701900000000, -0.0149171300000000, -0.0011469800000000 ] - [ -0.0001979800000000, -0.0006517300000000, 0.0001582500000000 ] - [ 0.0001197500000000, -0.0001230000000000, -0.0000348700000000 ] - [ -0.0005599000000000, -0.0000482600000000, -0.0003810500000000 ] - [ -0.0092261300000000, -0.0021127100000000, -0.0039187100000000 ] - [ -0.0003111400000000, -0.0006348200000000, 0.0001342900000000 ] - [ 0.0002188900000000, -0.0010770200000000, 0.0004116700000000 ] - [ -0.0000345200000000, 0.0020963500000000, 0.0008541900000000 ] - [ 0.0007528600000000, 0.0003711200000000, 0.0003847200000000 ] - [ 0.0002345300000000, 0.0002326200000000, -0.0002959200000000 ] - [ -0.0003350500000000, -0.0008899800000000, -0.0002282600000000 ] - [ 0.0008084800000000, 0.0004274600000000, 0.0005644100000000 ] - [ 0.0099252300000000, -0.0059541400000000, -0.0063464200000000 ] - [ -0.0009208400000000, -0.0006690900000000, -0.0014494300000000 ] - [ -0.0001823200000000, -0.0003845400000000, -0.0001466400000000 ] - [ -0.0027373600000000, 0.0035544300000000, 0.0016493500000000 ] - [ -0.0000154900000000, -0.0000925600000000, 0.0014250400000000 ] - [ -0.0001794900000000, -0.0001043200000000, -0.0002028700000000 ] - [ 0.0002538100000000, -0.0008317000000000, -0.0004962400000000 ] - [ 0.0043713500000000, -0.0001672000000000, 0.0054819900000000 ] - [ -0.0005252300000000, 0.0002562100000000, 0.0001256300000000 ] - [ -0.0000682600000000, -0.0004377800000000, -0.0003856500000000 ] - [ 0.0001498000000000, -0.0012563400000000, -0.0007924100000000 ] - [ -0.0001502600000000, 0.0004345200000000, -0.0003512400000000 ] - [ -0.0072700200000000, 0.0031277500000000, 0.0001885500000000 ] - [ 0.0001405500000000, -0.0001149100000000, 0.0004323800000000 ] - [ -0.0002791000000000, -0.0003695100000000, 0.0001128300000000 ] - [ 0.0036363700000000, 0.0023334700000000, 0.0042925000000000 ] - [ 0.0000529700000000, 0.0002348100000000, 0.0003365000000000 ] - [ 0.0002061300000000, -0.0003416500000000, -0.0000422400000000 ] - [ -0.0000162300000000, -0.0008944700000000, 0.0000892800000000 ] - [ 0.0003257900000000, -0.0017384900000000, -0.0003535700000000 ] - [ -0.0004037100000000, -0.0006322900000000, -0.0000213900000000 ] - [ -0.0001649100000000, -0.0011281800000000, -0.0000626400000000 ] - [ 0.0003244400000000, -0.0006887400000000, 0.0002397900000000 ] - [ 0.0001653500000000, -0.0005678700000000, -0.0000072600000000 ] - [ 0.0000044600000000, -0.0009753400000000, 0.0000779400000000 ] - [ 0.0019023700000000, -0.0010782600000000, 0.0000107600000000 ] - [ 0.0000695600000000, 0.0002388700000000, 0.0000302600000000 ] - [ 0.0005249400000000, -0.0000926300000000, -0.0004448100000000 ] - [ 0.0011445600000000, -0.0006598900000000, 0.0008497800000000 ] - [ -0.0000041000000000, -0.0025010900000000, 0.0010829100000000 ] - [ -0.0004687600000000, -0.0007694200000000, 0.0003700900000000 ] - [ -0.0002812900000000, 0.0003536500000000, -0.0001501400000000 ] - [ -0.0008347100000000, -0.0013287900000000, 0.0002758400000000 ] - [ 0.0008707000000000, 0.0018550700000000, 0.0003018400000000 ] - [ 0.0003214800000000, -0.0001694600000000, 0.0005945000000000 ] - [ 0.0001695200000000, 0.0002202300000000, -0.0000589400000000 ] - [ -0.0000178500000000, -0.0004070100000000, 0.0000628700000000 ] - [ -0.0005342600000000, -0.0003023700000000, 0.0001343000000000 ] - [ -0.0012968300000000, -0.0045373900000000, 0.0069545100000000 ] - [ -0.0015093600000000, -0.0003420100000000, -0.0003077100000000 ] - [ -0.0002383100000000, -0.0002395700000000, -0.0001960500000000 ] - [ -0.0011733800000000, -0.0001393200000000, 0.0008803500000000 ] - [ 0.0001890700000000, 0.0005375400000000, 0.0001904200000000 ] - [ -0.0003326500000000, -0.0001355400000000, 0.0002711000000000 ] - [ 0.0003680900000000, 0.0001084800000000, 0.0004398200000000 ] - [ -0.0013882600000000, -0.0038298200000000, 0.0018191400000000 ] - [ -0.0003248100000000, 0.0006907500000000, -0.0004088000000000 ] - [ 0.0004371500000000, -0.0009269900000000, -0.0003172600000000 ] - [ -0.0002369100000000, -0.0004346400000000, -0.0004472400000000 ] - [ -0.0007735000000000, -0.0004039700000000, -0.0005901400000000 ] - [ -0.0009252600000000, 0.0005259100000000, -0.0003791100000000 ] - [ 0.0001814600000000, -0.0004657600000000, 0.0001769600000000 ] - [ -0.0000789600000000, -0.0003623800000000, 0.0002858300000000 ] - [ -0.0008101200000000, -0.0016912600000000, -0.0008492200000000 ] - [ 0.0003011000000000, 0.0010817700000000, 0.0003043400000000 ] - [ -0.0000906000000000, -0.0001816000000000, 0.0000406900000000 ] - [ -0.0004285100000000, -0.0004092500000000, 0.0000785500000000 ] - [ 0.0004547600000000, 0.0005042200000000, 0.0008190200000000 ] - [ -0.0012635800000000, 0.0015325100000000, -0.0011137700000000 ] - [ 0.0003393700000000, 0.0012939900000000, 0.0009427000000000 ] - [ -0.0005518600000000, -0.0002602700000000, 0.0007785300000000 ] - [ -0.0001791100000000, -0.0000607400000000, -0.0013791100000000 ] - [ 0.0039164700000000, -0.0035304600000000, -0.0045904700000000 ] - [ 0.0003990600000000, 0.0017563100000000, -0.0002088700000000 ] - [ 0.0012547400000000, 0.0007605000000000, -0.0001265800000000 ] - [ -0.0002362100000000, 0.0013450500000000, -0.0002212200000000 ] - [ -0.0000662000000000, 0.0004963200000000, 0.0000402300000000 ] - [ -0.0000370900000000, -0.0004901000000000, -0.0000280900000000 ] - [ -0.0002878400000000, -0.0010980300000000, -0.0000476700000000 ] - [ 0.0016895800000000, 0.0053162600000000, 0.0015119200000000 ] - [ 0.0002045800000000, 0.0008738400000000, 0.0002443200000000 ] - [ 0.0108432500000000, -0.0206897100000000, 0.0005189800000000 ] - [ -0.0004770200000000, 0.0001473400000000, -0.0003476900000000 ] - [ -0.0040739800000000, 0.0011618800000000, -0.0020844800000000 ] - [ -0.0007952900000000, 0.0012699600000000, 0.0005926800000000 ] - [ 0.0000044300000000, -0.0014755900000000, 0.0007964500000000 ] - [ 0.0008903000000000, 0.0067918400000000, -0.0004908700000000 ] - [ -0.0005088600000000, 0.0000763800000000, -0.0008375400000000 ] - [ 0.0005356700000000, 0.0001226400000000, -0.0008996100000000 ] - [ 0.0005663100000000, 0.0000473700000000, 0.0000428000000000 ] - [ 0.0036038800000000, 0.0020897100000000, -0.0019749900000000 ] - [ 0.0000655900000000, -0.0009958400000000, -0.0002241600000000 ] - [ -0.0260017900000000, -0.0286029000000000, -0.0247071200000000 ] - [ -0.0001197300000000, 0.0016502500000000, 0.0002547300000000 ] - [ -0.0000471500000000, 0.0008329300000000, 0.0000225300000000 ] - [ 0.0004130200000000, -0.0001821700000000, 0.0006974600000000 ] - [ 0.0030214500000000, -0.0026025100000000, -0.0011414800000000 ] - [ 0.0000271200000000, 0.0006307400000000, -0.0000432000000000 ] - [ -0.0026278000000000, 0.0019065100000000, -0.0028897500000000 ] - [ 0.0003439600000000, 0.0004994700000000, -0.0012865600000000 ] - [ -0.0000200900000000, 0.0018817700000000, 0.0001609000000000 ] - [ 0.0000546400000000, -0.0005108200000000, -0.0002148800000000 ] - [ -0.0003500400000000, 0.0000309000000000, 0.0002508400000000 ] - [ 0.0003425500000000, -0.0023602700000000, 0.0001707700000000 ] - [ 0.0004240300000000, -0.0008765100000000, -0.0003719400000000 ] - [ -0.0001691100000000, -0.0003530400000000, 0.0004796700000000 ] - [ -0.0012692500000000, -0.0050400300000000, 0.0027223100000000 ] - [ -0.0023551500000000, 0.0009384800000000, -0.0010472200000000 ] - [ -0.0009739000000000, -0.0009746100000000, 0.0021688900000000 ] - [ -0.0011463900000000, -0.0005631800000000, -0.0003410800000000 ] - [ -0.0001455900000000, 0.0006473200000000, 0.0000577000000000 ] - [ 0.0006503000000000, 0.0062120500000000, 0.0023745300000000 ] - [ -0.0005200400000000, -0.0012438700000000, 0.0014297600000000 ] - [ 0.0007708900000000, -0.0002823500000000, 0.0000178500000000 ] - [ 0.0001618900000000, -0.0006149100000000, 0.0000368400000000 ] - [ 0.0003288900000000, 0.0000620800000000, -0.0002566500000000 ] - [ 0.0000587400000000, -0.0003596700000000, 0.0000647700000000 ] - [ -0.0000376100000000, 0.0008261700000000, -0.0000217100000000 ] - [ 0.0001010000000000, 0.0003571100000000, 0.0019628600000000 ] - [ 0.0000359500000000, 0.0006078400000000, -0.0004520500000000 ] - [ 0.0000248200000000, 0.0006028300000000, -0.0004165500000000 ] - [ 0.0000704200000000, 0.0015721200000000, 0.0003858300000000 ] - [ -0.0000542200000000, 0.0003596900000000, 0.0004176400000000 ] - [ -0.0001975400000000, -0.0006182900000000, -0.0003241200000000 ] - [ 0.0003148500000000, 0.0004064600000000, 0.0001472600000000 ] - [ -0.0007575400000000, 0.0007596300000000, -0.0006944500000000 ] - [ -0.0000298900000000, 0.0004819700000000, -0.0002235300000000 ] - [ 0.0000552200000000, 0.0005780900000000, 0.0002185300000000 ] - [ -0.0003642300000000, 0.0006075800000000, 0.0002520000000000 ] - [ 0.0014103700000000, 0.0015995300000000, -0.0005072900000000 ] - [ 0.0014228000000000, 0.0005332200000000, 0.0002218900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0767066600000000, -0.0253937100000000, -0.1208662400000000 ] - [ 0.0009667500000000, -0.0000380700000000, -0.0001084400000000 ] - [ -0.0000528300000000, -0.0007851500000000, -0.0001067400000000 ] - [ -0.0000028000000000, 0.0001893100000000, -0.0000012700000000 ] - [ 0.0019847800000000, -0.0000556800000000, -0.0011021500000000 ] - [ 0.0037037100000000, 0.0142397200000000, 0.0093547600000000 ] - [ 0.0004750800000000, -0.0003652700000000, 0.0006825800000000 ] - [ -0.0003034600000000, -0.0002200400000000, 0.0008414600000000 ] - [ -0.0005972600000000, 0.0004431700000000, 0.0040218300000000 ] - [ -0.0001098000000000, 0.0002178700000000, 0.0007109900000000 ] - [ 0.0003171900000000, -0.0001607800000000, 0.0003385300000000 ] - [ -0.0008330800000000, -0.0004065700000000, 0.0005120500000000 ] - [ -0.0005608600000000, 0.0001123800000000, 0.0004139800000000 ] - [ 0.0000537400000000, -0.0004397000000000, 0.0018541300000000 ] - [ -0.0006554300000000, 0.0002375100000000, 0.0017700700000000 ] - [ 0.0003675200000000, 0.0000229400000000, 0.0002213400000000 ] - [ 0.0001099900000000, 0.0002456100000000, 0.0007040000000000 ] - [ -0.0006430300000000, -0.0015538300000000, 0.0017677200000000 ] - [ -0.0002573400000000, -0.0003704100000000, -0.0005300500000000 ] - [ 0.0002633400000000, -0.0000019800000000, 0.0006078500000000 ] - [ -0.0000459400000000, -0.0002159300000000, 0.0004470600000000 ] - [ -0.0012423700000000, -0.0010014700000000, 0.0006462000000000 ] - [ 0.0002479800000000, 0.0014379100000000, 0.0007067800000000 ] - [ 0.0006380200000000, -0.0000753100000000, 0.0008141300000000 ] - [ 0.0001267100000000, 0.0001300300000000, 0.0006864100000000 ] - [ 0.0009832100000000, -0.0018830500000000, 0.0004154000000000 ] - [ -0.0010751000000000, 0.0015601700000000, 0.0003311200000000 ] - [ -0.0016465300000000, -0.0002002400000000, -0.0047689900000000 ] - [ -0.0002236100000000, -0.0004608900000000, 0.0005114600000000 ] - [ 0.0003515100000000, -0.0000339700000000, 0.0001049600000000 ] - [ 0.0000963200000000, 0.0002214700000000, 0.0003984900000000 ] - [ 0.0108566900000000, 0.0080062600000000, 0.0004491600000000 ] - [ -0.0007796600000000, -0.0000998200000000, 0.0014457500000000 ] - [ 0.0004034500000000, -0.0000974500000000, 0.0004006800000000 ] - [ -0.0020804100000000, 0.0001453400000000, 0.0020593100000000 ] - [ 0.0005420300000000, 0.0002869700000000, -0.0000417500000000 ] - [ 0.0003112900000000, 0.0002460900000000, -0.0000768100000000 ] - [ -0.0005237900000000, 0.0004067000000000, -0.0008278500000000 ] - [ 0.0018675500000000, 0.0004008800000000, 0.0029123300000000 ] - [ -0.0080678700000000, 0.0079128500000000, -0.0019674100000000 ] - [ 0.0015752600000000, 0.0016522600000000, 0.0027886400000000 ] - [ -0.0002294200000000, 0.0003827100000000, 0.0008801000000000 ] - [ -0.0102771500000000, 0.0001256600000000, -0.0012391900000000 ] - [ -0.0010540700000000, -0.0012479600000000, 0.0024912700000000 ] - [ 0.0001755100000000, -0.0000915400000000, 0.0004900700000000 ] - [ -0.0000640600000000, 0.0000118700000000, 0.0001487100000000 ] - [ 0.0134988100000000, -0.0125165500000000, 0.0166857200000000 ] - [ -0.0005976400000000, 0.0002935200000000, 0.0013155000000000 ] - [ 0.0002262500000000, -0.0002013000000000, 0.0000059200000000 ] - [ 0.0002364800000000, 0.0003133800000000, -0.0003508800000000 ] - [ 0.0002052600000000, -0.0000988500000000, -0.0003525800000000 ] - [ 0.0036509400000000, 0.0007528800000000, -0.0088765000000000 ] - [ 0.0001320200000000, 0.0001548600000000, 0.0008045900000000 ] - [ -0.0000931000000000, 0.0001990900000000, 0.0006826600000000 ] - [ 0.0084477200000000, -0.0065438700000000, 0.0093290200000000 ] - [ 0.0006411800000000, -0.0002510900000000, -0.0002359600000000 ] - [ 0.0003518600000000, 0.0002346900000000, -0.0003004200000000 ] - [ -0.0003081500000000, 0.0001274200000000, -0.0005242100000000 ] - [ -0.0000193400000000, 0.0001586500000000, -0.0005279200000000 ] - [ -0.0002434400000000, -0.0002199600000000, -0.0004037900000000 ] - [ -0.0003840600000000, 0.0002033800000000, 0.0002869800000000 ] - [ 0.0001548100000000, -0.0000617300000000, -0.0002995800000000 ] - [ 0.0000375000000000, 0.0001971300000000, -0.0002672600000000 ] - [ 0.0000202400000000, -0.0001942100000000, 0.0001594500000000 ] - [ -0.0007366600000000, 0.0006219900000000, -0.0007457800000000 ] - [ 0.0005019300000000, 0.0002314000000000, -0.0004437800000000 ] - [ -0.0003753600000000, -0.0003146900000000, 0.0003505900000000 ] - [ 0.0009334400000000, -0.0008091700000000, -0.0031680800000000 ] - [ -0.0001028200000000, -0.0002773000000000, -0.0007784100000000 ] - [ -0.0003048800000000, -0.0005179000000000, 0.0001808000000000 ] - [ 0.0006063000000000, 0.0007978600000000, 0.0002253500000000 ] - [ -0.0000087900000000, 0.0011869500000000, -0.0014406100000000 ] - [ 0.0001153800000000, -0.0004219500000000, -0.0013289800000000 ] - [ 0.0017985300000000, -0.0016902900000000, 0.0005365400000000 ] - [ 0.0004074300000000, -0.0000260100000000, 0.0001677500000000 ] - [ 0.0000412700000000, -0.0002539200000000, 0.0004532700000000 ] - [ 0.0005816700000000, 0.0001913200000000, -0.0006741600000000 ] - [ -0.0016852700000000, -0.0053408900000000, 0.0021318000000000 ] - [ 0.0014503900000000, 0.0009368600000000, -0.0007173800000000 ] - [ 0.0002659000000000, 0.0005310900000000, 0.0002705100000000 ] - [ 0.0003467700000000, -0.0005321300000000, -0.0009693500000000 ] - [ 0.0018539300000000, 0.0005770400000000, 0.0009487200000000 ] - [ -0.0002690500000000, 0.0003690200000000, 0.0004231100000000 ] - [ 0.0003990400000000, 0.0002446300000000, 0.0014702200000000 ] - [ -0.0005265000000000, -0.0043854500000000, -0.0018894300000000 ] - [ -0.0002568300000000, 0.0002156300000000, -0.0000439900000000 ] - [ 0.0004865700000000, -0.0005263800000000, -0.0007767100000000 ] - [ -0.0001862600000000, -0.0002840400000000, -0.0000265900000000 ] - [ 0.0011664500000000, 0.0010663400000000, 0.0002655500000000 ] - [ 0.0002581100000000, 0.0000147200000000, -0.0004071300000000 ] - [ 0.0002013900000000, -0.0002054400000000, 0.0005506100000000 ] - [ 0.0004443200000000, -0.0001521200000000, -0.0004004800000000 ] - [ -0.0008374500000000, 0.0006877600000000, -0.0026411100000000 ] - [ -0.0003495500000000, -0.0006212500000000, -0.0008303000000000 ] - [ 0.0000959600000000, -0.0000895100000000, 0.0001124200000000 ] - [ -0.0000592500000000, 0.0000910200000000, -0.0003313600000000 ] - [ 0.0006462600000000, 0.0003064700000000, -0.0001592300000000 ] - [ -0.0037453400000000, 0.0055078100000000, -0.0053193000000000 ] - [ 0.0012014200000000, -0.0013215600000000, 0.0012732800000000 ] - [ -0.0009393500000000, -0.0002196800000000, 0.0000637800000000 ] - [ 0.0001974200000000, 0.0001774500000000, -0.0028349800000000 ] - [ 0.0056716000000000, 0.0022228700000000, -0.0047962500000000 ] - [ -0.0007101000000000, -0.0003271900000000, -0.0015981900000000 ] - [ -0.0000590900000000, -0.0005061800000000, -0.0024557000000000 ] - [ 0.0000886700000000, 0.0001987700000000, -0.0007915200000000 ] - [ -0.0001489500000000, -0.0000134700000000, -0.0006535100000000 ] - [ -0.0000038500000000, 0.0001413600000000, -0.0007337900000000 ] - [ 0.0014431200000000, 0.0014225800000000, -0.0035233100000000 ] - [ -0.0014829300000000, -0.0093163700000000, -0.0002807800000000 ] - [ 0.0002640900000000, 0.0002340300000000, -0.0009957500000000 ] - [ 0.0005776000000000, 0.0005034400000000, 0.0191946400000000 ] - [ -0.0014644000000000, 0.0003979300000000, -0.0005791700000000 ] - [ 0.0026272800000000, 0.0002669300000000, 0.0063037300000000 ] - [ -0.0012880300000000, 0.0014509200000000, 0.0013246900000000 ] - [ 0.0005511900000000, -0.0004152000000000, 0.0004623400000000 ] - [ -0.0007291500000000, 0.0013339800000000, 0.0049824700000000 ] - [ -0.0011543200000000, -0.0005691700000000, -0.0003151900000000 ] - [ 0.0002507800000000, -0.0004563700000000, -0.0010989300000000 ] - [ -0.0019115100000000, -0.0000110900000000, -0.0002081300000000 ] - [ -0.0022946300000000, -0.0028543300000000, 0.0030442500000000 ] - [ -0.0014599700000000, 0.0001911700000000, 0.0002719700000000 ] - [ 0.0550097300000000, 0.0219092100000000, 0.0674204000000000 ] - [ 0.0002206900000000, -0.0001659300000000, 0.0003636900000000 ] - [ -0.0001148600000000, -0.0000388900000000, 0.0006495800000000 ] - [ -0.0007465100000000, -0.0002844700000000, -0.0009591300000000 ] - [ -0.0022722200000000, 0.0013335300000000, 0.0019375100000000 ] - [ -0.0002887700000000, -0.0000758600000000, -0.0007351500000000 ] - [ 0.0002434400000000, 0.0084630900000000, -0.0016519900000000 ] - [ 0.0008346200000000, 0.0008711100000000, -0.0008923500000000 ] - [ 0.0000436500000000, -0.0001629300000000, 0.0004889400000000 ] - [ 0.0005553200000000, -0.0002890400000000, -0.0022231500000000 ] - [ -0.0001103000000000, -0.0002402200000000, 0.0001353000000000 ] - [ -0.0000858900000000, -0.0002303500000000, -0.0050932000000000 ] - [ 0.0006016400000000, -0.0001693100000000, 0.0005374000000000 ] - [ -0.0007895000000000, -0.0000619700000000, -0.0003176900000000 ] - [ -0.0010228500000000, -0.0013657900000000, 0.0124479300000000 ] - [ -0.0002609000000000, -0.0002987500000000, 0.0007394800000000 ] - [ 0.0028196500000000, -0.0016362000000000, -0.0004679300000000 ] - [ -0.0030521700000000, 0.0004385800000000, -0.0002428000000000 ] - [ 0.0005133200000000, 0.0006095100000000, -0.0016324300000000 ] - [ 0.0005711500000000, -0.0016813600000000, 0.0039858600000000 ] - [ -0.0014248700000000, -0.0017971700000000, -0.0022454300000000 ] - [ 0.0009201200000000, 0.0002280800000000, 0.0000486500000000 ] - [ 0.0001050700000000, -0.0005170300000000, -0.0006088100000000 ] - [ 0.0001727400000000, 0.0002129400000000, 0.0003379200000000 ] - [ -0.0002399400000000, 0.0001584000000000, -0.0009735500000000 ] - [ -0.0000001300000000, -0.0002464500000000, 0.0004353600000000 ] - [ 0.0004497200000000, -0.0013063300000000, -0.0013026200000000 ] - [ -0.0002121000000000, -0.0002301900000000, -0.0002992900000000 ] - [ 0.0001375100000000, -0.0000571600000000, -0.0010718400000000 ] - [ 0.0000696800000000, 0.0000534600000000, 0.0011938300000000 ] - [ -0.0000630300000000, 0.0000313500000000, 0.0003193200000000 ] - [ -0.0001600000000000, -0.0005291000000000, -0.0012789700000000 ] - [ 0.0006876200000000, -0.0002018500000000, -0.0004616600000000 ] - [ -0.0005965800000000, 0.0007353600000000, -0.0003288700000000 ] - [ -0.0002900100000000, 0.0006969900000000, 0.0003890400000000 ] - [ -0.0003187000000000, 0.0004659600000000, -0.0002627100000000 ] - [ -0.0009338700000000, -0.0003952400000000, 0.0002338800000000 ] - [ 0.0014805200000000, 0.0010070700000000, 0.0004007400000000 ] - [ 0.0008206200000000, -0.0008776700000000, 0.0015105200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0803041300000000, 0.0262576300000000, 0.1208630700000000 ] - [ -0.0005079900000000, -0.0000399300000000, -0.0006088700000000 ] - [ -0.0004073200000000, 0.0008682200000000, -0.0006074200000000 ] - [ 0.0000804200000000, 0.0002712500000000, -0.0007132000000000 ] - [ -0.0019275000000000, 0.0005186700000000, 0.0018003500000000 ] - [ -0.0042245400000000, -0.0143759900000000, -0.0087724500000000 ] - [ -0.0000132800000000, 0.0002885700000000, 0.0000301400000000 ] - [ 0.0002271500000000, -0.0002410600000000, -0.0001281900000000 ] - [ 0.0009825600000000, -0.0002065600000000, -0.0041698600000000 ] - [ -0.0001146100000000, 0.0001658700000000, -0.0008843200000000 ] - [ -0.0000919400000000, -0.0002235300000000, -0.0005130200000000 ] - [ 0.0004505400000000, 0.0001857100000000, -0.0007096700000000 ] - [ 0.0001722000000000, -0.0003370200000000, -0.0002297300000000 ] - [ 0.0001730400000000, 0.0000539000000000, -0.0016808800000000 ] - [ 0.0004249700000000, 0.0001457400000000, -0.0015979500000000 ] - [ 0.0000125400000000, 0.0002025700000000, -0.0000419600000000 ] - [ 0.0006087100000000, -0.0002069100000000, -0.0008510200000000 ] - [ 0.0005959200000000, 0.0022556400000000, -0.0019073000000000 ] - [ 0.0003003900000000, -0.0003349100000000, 0.0003943400000000 ] - [ 0.0000132600000000, 0.0003498600000000, -0.0008588900000000 ] - [ -0.0006717900000000, 0.0001743500000000, -0.0005962300000000 ] - [ 0.0012896400000000, 0.0002781600000000, -0.0004895500000000 ] - [ -0.0002883200000000, -0.0007220300000000, -0.0005619100000000 ] - [ 0.0000742600000000, 0.0001171000000000, -0.0006690400000000 ] - [ -0.0000914000000000, 0.0003205700000000, -0.0004892800000000 ] - [ -0.0014445400000000, 0.0019316500000000, -0.0002219100000000 ] - [ 0.0015379800000000, -0.0016055000000000, -0.0001338300000000 ] - [ 0.0015533400000000, -0.0001094500000000, 0.0049830700000000 ] - [ 0.0001928100000000, 0.0000118000000000, -0.0007087200000000 ] - [ 0.0000967000000000, 0.0000007000000000, -0.0003056700000000 ] - [ -0.0005493000000000, -0.0001851900000000, -0.0005987500000000 ] - [ -0.0107549800000000, -0.0074978500000000, -0.0006598100000000 ] - [ 0.0001402800000000, -0.0005066300000000, -0.0006962900000000 ] - [ 0.0001990600000000, -0.0005441600000000, 0.0003526900000000 ] - [ 0.0015054800000000, 0.0004971800000000, -0.0013155600000000 ] - [ 0.0000946100000000, 0.0003180500000000, 0.0007956900000000 ] - [ 0.0003263800000000, 0.0003592600000000, -0.0006746600000000 ] - [ -0.0000788600000000, 0.0002350100000000, 0.0000777400000000 ] - [ -0.0012542100000000, -0.0010328100000000, -0.0036492800000000 ] - [ 0.0074096900000000, -0.0084888300000000, 0.0011807400000000 ] - [ -0.0013075200000000, -0.0013103400000000, -0.0025520700000000 ] - [ -0.0001173000000000, -0.0001105800000000, -0.0006363100000000 ] - [ 0.0106092700000000, -0.0004188800000000, 0.0016167300000000 ] - [ 0.0007896500000000, 0.0009076400000000, -0.0022531300000000 ] - [ -0.0004515300000000, -0.0002582300000000, -0.0007418100000000 ] - [ 0.0004155500000000, -0.0002864900000000, -0.0003949600000000 ] - [ -0.0136599700000000, 0.0126204800000000, -0.0167148700000000 ] - [ -0.0001142000000000, -0.0003322400000000, -0.0011695000000000 ] - [ -0.0003053600000000, -0.0002586900000000, -0.0007207600000000 ] - [ 0.0002247900000000, -0.0003889700000000, -0.0003613000000000 ] - [ -0.0006667300000000, 0.0001748700000000, -0.0003636300000000 ] - [ -0.0036016800000000, -0.0003330900000000, 0.0082202300000000 ] - [ -0.0000543300000000, 0.0003063500000000, -0.0000920900000000 ] - [ -0.0003669100000000, -0.0001222100000000, 0.0000303400000000 ] - [ -0.0081582800000000, 0.0065836800000000, -0.0087974900000000 ] - [ -0.0007218400000000, -0.0002105500000000, 0.0009500700000000 ] - [ 0.0000298100000000, -0.0000064900000000, 0.0001256000000000 ] - [ 0.0000814100000000, 0.0002561200000000, 0.0003489100000000 ] - [ 0.0002493000000000, -0.0005445500000000, 0.0003528000000000 ] - [ -0.0001413100000000, -0.0000076000000000, 0.0002286200000000 ] - [ 0.0000014100000000, -0.0004331200000000, -0.0001127600000000 ] - [ 0.0000715000000000, -0.0003220000000000, 0.0004764800000000 ] - [ -0.0002671600000000, 0.0001885900000000, 0.0004440600000000 ] - [ 0.0003640600000000, 0.0004218000000000, 0.0000142100000000 ] - [ 0.0014540000000000, -0.0005814300000000, 0.0006005700000000 ] - [ -0.0005482300000000, 0.0004839100000000, 0.0002986300000000 ] - [ 0.0004155300000000, -0.0004018300000000, -0.0005027400000000 ] - [ -0.0006588800000000, 0.0011654600000000, 0.0029340100000000 ] - [ -0.0006105700000000, 0.0002532400000000, 0.0006178200000000 ] - [ 0.0003472000000000, -0.0001969900000000, -0.0000342400000000 ] - [ -0.0006542700000000, -0.0000854700000000, -0.0000781200000000 ] - [ 0.0007232800000000, -0.0011488200000000, 0.0015895700000000 ] - [ -0.0000833600000000, 0.0008728500000000, 0.0015343700000000 ] - [ -0.0022338400000000, 0.0017094600000000, -0.0003396300000000 ] - [ 0.0000445700000000, -0.0000089100000000, 0.0000292300000000 ] - [ -0.0000755600000000, -0.0001958900000000, -0.0002566800000000 ] - [ -0.0006201900000000, -0.0006462200000000, 0.0004764200000000 ] - [ 0.0021686600000000, 0.0053626700000000, -0.0023309200000000 ] - [ -0.0019125500000000, -0.0009080700000000, 0.0005260700000000 ] - [ -0.0002337600000000, -0.0000815100000000, -0.0004696400000000 ] - [ -0.0009923300000000, -0.0000747800000000, 0.0017194600000000 ] - [ -0.0012570500000000, -0.0012222900000000, -0.0001981100000000 ] - [ -0.0003354700000000, 0.0002714700000000, 0.0003288900000000 ] - [ 0.0002407400000000, 0.0003631800000000, -0.0007214200000000 ] - [ 0.0011813200000000, 0.0049762900000000, 0.0011187800000000 ] - [ -0.0003468100000000, 0.0004273700000000, -0.0007132800000000 ] - [ 0.0001170800000000, -0.0001116200000000, 0.0000270900000000 ] - [ -0.0004548200000000, -0.0003205100000000, -0.0007251400000000 ] - [ -0.0008900400000000, -0.0007139600000000, -0.0000173000000000 ] - [ -0.0006055300000000, 0.0002611200000000, 0.0006660700000000 ] - [ 0.0001476800000000, -0.0000688400000000, -0.0003030800000000 ] - [ -0.0007184100000000, -0.0001941400000000, 0.0006481800000000 ] - [ 0.0005749000000000, -0.0010399300000000, 0.0024089200000000 ] - [ 0.0007019200000000, 0.0003495600000000, 0.0005850100000000 ] - [ -0.0004477700000000, 0.0003659000000000, -0.0003625000000000 ] - [ -0.0006591500000000, -0.0001305000000000, 0.0004815500000000 ] - [ 0.0005114900000000, 0.0002518900000000, 0.0016850800000000 ] - [ 0.0031853900000000, -0.0043449900000000, 0.0068472400000000 ] - [ -0.0006555700000000, 0.0001585600000000, 0.0002446500000000 ] - [ -0.0002180400000000, -0.0003390500000000, 0.0014654700000000 ] - [ -0.0013617400000000, -0.0007414700000000, 0.0013138500000000 ] - [ -0.0052195900000000, -0.0033919200000000, 0.0032425400000000 ] - [ 0.0001499500000000, 0.0014895500000000, 0.0000741400000000 ] - [ 0.0012224300000000, 0.0010689100000000, 0.0009323200000000 ] - [ -0.0000899300000000, -0.0001985900000000, 0.0007929600000000 ] - [ 0.0001497800000000, 0.0000131900000000, 0.0006550400000000 ] - [ 0.0000065800000000, -0.0001379000000000, 0.0007251400000000 ] - [ -0.0014347300000000, -0.0014129200000000, 0.0035294300000000 ] - [ 0.0014923200000000, 0.0093649100000000, 0.0002773700000000 ] - [ -0.0002654200000000, -0.0002339300000000, 0.0009975400000000 ] - [ -0.0003919700000000, -0.0005092800000000, -0.0190963300000000 ] - [ 0.0014606200000000, -0.0003982800000000, 0.0005804100000000 ] - [ -0.0014779700000000, 0.0002943200000000, -0.0048044600000000 ] - [ 0.0007357600000000, -0.0002967400000000, 0.0001988700000000 ] - [ 0.0000058500000000, -0.0007458400000000, 0.0010680100000000 ] - [ -0.0004774300000000, -0.0019409900000000, -0.0034421900000000 ] - [ -0.0000018700000000, 0.0000096900000000, -0.0012087500000000 ] - [ 0.0003062900000000, -0.0007027300000000, -0.0004277900000000 ] - [ 0.0013658300000000, 0.0011726300000000, -0.0013267700000000 ] - [ 0.0034699200000000, 0.0034262900000000, -0.0045646700000000 ] - [ 0.0014635700000000, -0.0001892900000000, -0.0002638500000000 ] - [ -0.0581759300000000, -0.0229619800000000, -0.0690512800000000 ] - [ -0.0002226300000000, 0.0001667700000000, -0.0003631600000000 ] - [ 0.0001171300000000, 0.0000380500000000, -0.0006518000000000 ] - [ 0.0007472400000000, 0.0002855300000000, 0.0009611400000000 ] - [ 0.0022630300000000, -0.0013265700000000, -0.0019321100000000 ] - [ 0.0002904000000000, 0.0000756300000000, 0.0007371000000000 ] - [ -0.0002632100000000, -0.0085230100000000, 0.0016564900000000 ] - [ -0.0008331200000000, -0.0008712600000000, 0.0008989000000000 ] - [ -0.0000430900000000, 0.0001603400000000, -0.0004911700000000 ] - [ -0.0005593300000000, 0.0002901000000000, 0.0022259200000000 ] - [ 0.0001145000000000, 0.0002382800000000, -0.0001377200000000 ] - [ 0.0000887200000000, 0.0002373800000000, 0.0042021600000000 ] - [ -0.0005869800000000, 0.0001676600000000, -0.0014527600000000 ] - [ 0.0007869600000000, 0.0000616300000000, 0.0012357700000000 ] - [ 0.0004920100000000, 0.0011443500000000, -0.0107990100000000 ] - [ 0.0002886800000000, -0.0008260500000000, -0.0010904700000000 ] - [ -0.0017269200000000, 0.0016501200000000, 0.0000834300000000 ] - [ 0.0019595700000000, -0.0004492600000000, -0.0001193400000000 ] - [ -0.0005256400000000, 0.0005066800000000, 0.0012716500000000 ] - [ -0.0005786300000000, 0.0028309400000000, -0.0036178900000000 ] - [ 0.0003056200000000, 0.0017794100000000, 0.0026123700000000 ] - [ 0.0001934700000000, -0.0002178200000000, 0.0003152400000000 ] - [ -0.0000962200000000, -0.0005974100000000, 0.0009695100000000 ] - [ -0.0001688700000000, -0.0002102900000000, -0.0003400500000000 ] - [ 0.0002438400000000, -0.0001581100000000, 0.0009768600000000 ] - [ 0.0000004700000000, 0.0002467700000000, -0.0004365800000000 ] - [ -0.0004468600000000, 0.0013023400000000, 0.0013123100000000 ] - [ 0.0002133100000000, 0.0002298800000000, -0.0006162300000000 ] - [ -0.0001383000000000, 0.0000572400000000, 0.0001579500000000 ] - [ -0.0000719700000000, -0.0000543700000000, -0.0002799600000000 ] - [ 0.0000643200000000, -0.0000319000000000, 0.0005966600000000 ] - [ 0.0001727100000000, -0.0005865400000000, 0.0009220500000000 ] - [ 0.0004252300000000, 0.0002124100000000, 0.0001011700000000 ] - [ -0.0005160700000000, -0.0007434900000000, -0.0000277800000000 ] - [ 0.0002820800000000, 0.0004170000000000, -0.0007518600000000 ] - [ 0.0003103400000000, 0.0006477600000000, 0.0006247000000000 ] - [ -0.0001770800000000, 0.0003860400000000, 0.0001271200000000 ] - [ -0.0003730000000000, -0.0009982800000000, -0.0000394800000000 ] - [ -0.0008137200000000, -0.0002373700000000, -0.0011529200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0016586400000000, -0.0001405100000000, -0.0011427000000000 ] - [ 0.0017724800000000, 0.0001242800000000, -0.0007091400000000 ] - [ -0.0005693500000000, 0.0000055300000000, -0.0003304300000000 ] - [ 0.0006033900000000, 0.0004434800000000, -0.0003056800000000 ] - [ 0.0015609900000000, 0.0001166600000000, -0.0000087700000000 ] - [ -0.0007115200000000, 0.0000195300000000, 0.0003100700000000 ] - [ 0.0007274100000000, -0.0001762900000000, 0.0004877300000000 ] - [ -0.0008956700000000, -0.0000422200000000, 0.0005288900000000 ] - [ -0.1191597800000000, -0.0571363600000000, 0.0485342200000000 ] - [ 0.0011199500000000, -0.0001117400000000, 0.0008312800000000 ] - [ 0.0012129800000000, -0.0004206500000000, -0.0002647200000000 ] - [ 0.0080760800000000, 0.0215519100000000, -0.0001743300000000 ] - [ 0.0001585600000000, -0.0002104400000000, 0.0001299900000000 ] - [ -0.0049293400000000, -0.0020354200000000, 0.0022702200000000 ] - [ 0.0039900500000000, 0.0020422200000000, -0.0109325600000000 ] - [ 0.0008237300000000, 0.0001524500000000, 0.0001960100000000 ] - [ 0.0003206200000000, -0.0003838100000000, 0.0002929200000000 ] - [ -0.0020628700000000, -0.0014516300000000, 0.0002377500000000 ] - [ 0.0000519700000000, -0.0004473100000000, -0.0001173700000000 ] - [ 0.0010031600000000, -0.0006116300000000, 0.0001995100000000 ] - [ 0.0008984800000000, -0.0007606200000000, -0.0003618500000000 ] - [ 0.0000884100000000, -0.0002978400000000, 0.0005523200000000 ] - [ -0.0003219200000000, 0.0087255300000000, -0.0018781600000000 ] - [ 0.0010895100000000, 0.0011875000000000, -0.0010114400000000 ] - [ 0.0000225500000000, 0.0002057100000000, 0.0003142600000000 ] - [ -0.0003686000000000, -0.0001135300000000, -0.0000763900000000 ] - [ -0.0002440100000000, 0.0000582700000000, 0.0001367100000000 ] - [ -0.0005380600000000, -0.0010348700000000, -0.0009961100000000 ] - [ -0.0003643000000000, 0.0013388600000000, 0.0004436000000000 ] - [ 0.0013448400000000, -0.0000191000000000, -0.0001533400000000 ] - [ 0.0013896400000000, 0.0006786700000000, -0.0000307400000000 ] - [ 0.0011930500000000, 0.0010869000000000, -0.0023073000000000 ] - [ -0.0008827400000000, 0.0004629700000000, -0.0004834600000000 ] - [ 0.0010482200000000, 0.0008363500000000, 0.0000047500000000 ] - [ -0.0007972000000000, 0.0001754500000000, 0.0006141800000000 ] - [ 0.0008665100000000, 0.0002379300000000, 0.0003957300000000 ] - [ 0.0011089800000000, 0.0002073400000000, -0.0004824700000000 ] - [ -0.0004969100000000, 0.0004111500000000, -0.0004212600000000 ] - [ 0.0058068300000000, -0.0065995600000000, 0.0013804700000000 ] - [ -0.0005099000000000, -0.0023424700000000, 0.0029823400000000 ] - [ -0.0004550200000000, 0.0002263700000000, -0.0003002600000000 ] - [ -0.0004413600000000, 0.0010218300000000, 0.0010867100000000 ] - [ 0.0001000000000000, -0.0002756500000000, -0.0003943900000000 ] - [ -0.0018761400000000, -0.0005201100000000, 0.0007141100000000 ] - [ 0.0011240400000000, -0.0001735500000000, 0.0001861500000000 ] - [ 0.0001514000000000, 0.0000810100000000, 0.0000642600000000 ] - [ 0.0023378200000000, -0.0049767700000000, -0.0062769600000000 ] - [ 0.0011612300000000, 0.0045738800000000, 0.0082430000000000 ] - [ 0.0006795800000000, -0.0002439500000000, -0.0001957400000000 ] - [ 0.0000110700000000, 0.0000778500000000, -0.0003889800000000 ] - [ 0.0008573000000000, -0.0002347400000000, -0.0004231900000000 ] - [ -0.0005009400000000, 0.0002876000000000, 0.0002859200000000 ] - [ -0.0002939600000000, 0.0002028200000000, 0.0001643400000000 ] - [ 0.0005295500000000, 0.0001199800000000, 0.0003534400000000 ] - [ -0.0002306300000000, -0.0002287000000000, 0.0001103500000000 ] - [ 0.0015565100000000, -0.0001627100000000, 0.0001793100000000 ] - [ 0.0005005900000000, 0.0002119400000000, -0.0001532200000000 ] - [ -0.0005003300000000, 0.0004202100000000, 0.0000372100000000 ] - [ -0.0006750300000000, 0.0001117000000000, -0.0003636700000000 ] - [ 0.0000847900000000, 0.0000216800000000, -0.0000951900000000 ] - [ -0.0010558800000000, -0.0002096600000000, 0.0002581500000000 ] - [ 0.0005315300000000, -0.0002053600000000, 0.0001462100000000 ] - [ 0.0001923600000000, 0.0002058800000000, -0.0001003600000000 ] - [ -0.0005452400000000, 0.0001629400000000, 0.0000591400000000 ] - [ 0.0006039600000000, -0.0002812800000000, 0.0002453700000000 ] - [ 0.0003014100000000, 0.0003279000000000, -0.0001308500000000 ] - [ 0.0054297300000000, -0.0022361900000000, 0.0000387700000000 ] - [ -0.0002469800000000, -0.0002311400000000, 0.0006118600000000 ] - [ -0.0008866600000000, -0.0000609800000000, -0.0002615200000000 ] - [ 0.0012700900000000, 0.0014454900000000, 0.0005138600000000 ] - [ 0.0003708700000000, 0.0006084000000000, -0.0000366000000000 ] - [ 0.0004395300000000, 0.0006163200000000, -0.0004347000000000 ] - [ 0.0002799500000000, 0.0000280700000000, 0.0005134700000000 ] - [ 0.0008046000000000, -0.0013528000000000, -0.0001503000000000 ] - [ 0.0024364800000000, -0.0005280800000000, 0.0006744300000000 ] - [ 0.0004864000000000, -0.0007608500000000, -0.0003251500000000 ] - [ 0.0006857500000000, 0.0002345700000000, 0.0004069400000000 ] - [ -0.0004338200000000, 0.0001281400000000, -0.0001660900000000 ] - [ -0.0003640200000000, 0.0002692500000000, -0.0001552600000000 ] - [ 0.0002411800000000, 0.0007240600000000, -0.0003559900000000 ] - [ 0.0004584100000000, -0.0002473900000000, 0.0000185600000000 ] - [ 0.0008362400000000, 0.0003350100000000, -0.0008263800000000 ] - [ 0.0002311300000000, 0.0007361600000000, 0.0005254100000000 ] - [ -0.0021160100000000, -0.0002656400000000, -0.0008611900000000 ] - [ -0.0012646500000000, 0.0005575000000000, 0.0008081500000000 ] - [ 0.0015461000000000, 0.0004514800000000, -0.0004675400000000 ] - [ 0.0003233500000000, -0.0003876400000000, -0.0003852400000000 ] - [ 0.0000738200000000, -0.0004028900000000, -0.0001208200000000 ] - [ 0.0010786500000000, 0.0004305400000000, -0.0000194300000000 ] - [ 0.0002422500000000, 0.0000864800000000, -0.0001203200000000 ] - [ 0.0002980000000000, 0.0000138800000000, -0.0000993800000000 ] - [ 0.0005287000000000, -0.0001694100000000, -0.0000476500000000 ] - [ -0.0005044300000000, -0.0000635700000000, 0.0000151000000000 ] - [ 0.0018855800000000, -0.0001531400000000, 0.0015327700000000 ] - [ 0.0000087600000000, 0.0001215000000000, -0.0003166200000000 ] - [ -0.0000774500000000, 0.0001351800000000, 0.0001900400000000 ] - [ 0.0002421100000000, 0.0008092200000000, 0.0002493500000000 ] - [ -0.0005720500000000, 0.0073958000000000, 0.0015639900000000 ] - [ 0.0006140400000000, -0.0007017600000000, 0.0007194800000000 ] - [ -0.0023944900000000, 0.0001200000000000, 0.0005801700000000 ] - [ 0.0045501000000000, -0.0037311300000000, -0.0024563700000000 ] - [ 0.0008653300000000, -0.0007194200000000, -0.0008791300000000 ] - [ -0.0027152600000000, -0.0025450900000000, -0.0024796400000000 ] - [ 0.0009915400000000, -0.0007006200000000, 0.0004417800000000 ] - [ 0.0006696000000000, 0.0000366400000000, 0.0001136600000000 ] - [ -0.0008772700000000, -0.0001451100000000, -0.0001940900000000 ] - [ -0.0012518600000000, 0.0004916000000000, -0.0004509000000000 ] - [ 0.0582831500000000, 0.0429900700000000, -0.0461022500000000 ] - [ 0.0007075800000000, -0.0002318100000000, 0.0002335500000000 ] - [ 0.0000962000000000, -0.0007464400000000, -0.0004718200000000 ] - [ -0.0000808300000000, -0.0001848400000000, 0.0042467400000000 ] - [ -0.0020706800000000, 0.0005666300000000, -0.0000329700000000 ] - [ -0.0004359000000000, 0.0010164500000000, -0.0003936000000000 ] - [ -0.0004983700000000, 0.0007249900000000, 0.0009319400000000 ] - [ -0.0034600200000000, -0.0009674800000000, -0.0006546500000000 ] - [ 0.0013417300000000, 0.0001494000000000, 0.0007770300000000 ] - [ -0.0016941700000000, -0.0006386200000000, -0.0009111900000000 ] - [ -0.0009569400000000, -0.0014278900000000, -0.0001669200000000 ] - [ -0.0006667400000000, -0.0001586400000000, -0.0003678900000000 ] - [ -0.0010689600000000, -0.0009369400000000, 0.0002153400000000 ] - [ -0.0021595400000000, 0.0001691700000000, 0.0005729800000000 ] - [ 0.0014069400000000, 0.0001603200000000, -0.0000924800000000 ] - [ 0.0009788300000000, -0.0002848600000000, -0.0002496000000000 ] - [ -0.0004785900000000, -0.0000134600000000, 0.0000665900000000 ] - [ -0.0033779300000000, -0.0002347900000000, 0.0002694000000000 ] - [ -0.0011485500000000, -0.0003900300000000, -0.0015934900000000 ] - [ -0.0003730500000000, 0.0001520300000000, 0.0002503900000000 ] - [ 0.0010177800000000, -0.0000247800000000, -0.0003423500000000 ] - [ 0.0029617400000000, -0.0033585500000000, -0.0008163200000000 ] - [ 0.0001569600000000, -0.0003414700000000, 0.0003993500000000 ] - [ -0.0001865500000000, 0.0015454100000000, -0.0032620300000000 ] - [ -0.0003951000000000, 0.0000018600000000, -0.0000233900000000 ] - [ 0.0024028600000000, -0.0009240800000000, 0.0011747900000000 ] - [ -0.0006687300000000, 0.0000983200000000, -0.0002726100000000 ] - [ -0.0029484500000000, -0.0003079100000000, 0.0000352900000000 ] - [ 0.0083956100000000, 0.0052897000000000, 0.0061560500000000 ] - [ -0.0003536600000000, -0.0002358500000000, 0.0002467000000000 ] - [ 0.0006718600000000, 0.0001781700000000, -0.0001214000000000 ] - [ -0.0009950500000000, 0.0002444000000000, 0.0001502100000000 ] - [ 0.0009823900000000, 0.0008926900000000, -0.0002387200000000 ] - [ 0.0018563900000000, 0.0004564600000000, 0.0015471700000000 ] - [ 0.0239733700000000, 0.0039763600000000, -0.0025436900000000 ] - [ -0.0034563600000000, -0.0009957100000000, -0.0005458300000000 ] - [ -0.0017689700000000, -0.0013074500000000, -0.0006408000000000 ] - [ -0.0005364800000000, -0.0000982000000000, 0.0001112700000000 ] - [ -0.0028720200000000, -0.0007406000000000, 0.0009256500000000 ] - [ -0.0001634300000000, 0.0000723600000000, -0.0001852000000000 ] - [ 0.0094440800000000, -0.0137354600000000, 0.0015173700000000 ] - [ -0.0007688900000000, -0.0001547100000000, -0.0003616300000000 ] - [ 0.0006827700000000, -0.0001834300000000, -0.0005379500000000 ] - [ 0.0003957500000000, 0.0000257800000000, 0.0005372200000000 ] - [ -0.0003861800000000, 0.0000197200000000, 0.0004214300000000 ] - [ -0.0000465700000000, 0.0020394000000000, 0.0012427000000000 ] - [ 0.0000406900000000, 0.0012758000000000, -0.0005892800000000 ] - [ -0.0001511400000000, 0.0000594800000000, -0.0001889600000000 ] - [ -0.0008147400000000, 0.0006367400000000, -0.0004490800000000 ] - [ -0.0010121400000000, 0.0003879500000000, 0.0002912600000000 ] - [ -0.0007129000000000, -0.0000956600000000, 0.0002930700000000 ] - [ 0.0006871500000000, -0.0001784000000000, 0.0000752400000000 ] - [ 0.0001242000000000, -0.0008778300000000, -0.0004056300000000 ]- atom: 9 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0015708900000000, -0.0003197000000000, 0.0004370000000000 ] - [ -0.0013167100000000, -0.0001966000000000, -0.0000052600000000 ] - [ 0.0001066800000000, 0.0000701600000000, -0.0003823400000000 ] - [ -0.0005277700000000, 0.0000183800000000, -0.0004074800000000 ] - [ -0.0014794800000000, 0.0003426400000000, 0.0007230000000000 ] - [ 0.0002513500000000, 0.0000583800000000, 0.0004021200000000 ] - [ -0.0002660800000000, 0.0000972900000000, 0.0002267600000000 ] - [ 0.0008175300000000, -0.0004184800000000, 0.0001850200000000 ] - [ 0.1177496900000000, 0.0582165900000000, -0.0497537500000000 ] - [ -0.0013459000000000, 0.0004951500000000, -0.0010025000000000 ] - [ -0.0009829300000000, 0.0000353100000000, 0.0000890700000000 ] - [ -0.0084635700000000, -0.0220426400000000, -0.0000233500000000 ] - [ -0.0005431300000000, -0.0000183400000000, 0.0000464300000000 ] - [ 0.0051465100000000, 0.0016771200000000, -0.0021330100000000 ] - [ -0.0042404900000000, -0.0016699400000000, 0.0112305500000000 ] - [ -0.0004390200000000, 0.0000745600000000, -0.0000191800000000 ] - [ 0.0003855900000000, 0.0004266700000000, -0.0004380100000000 ] - [ 0.0020143600000000, 0.0021584200000000, -0.0003817700000000 ] - [ -0.0000114500000000, -0.0002678800000000, -0.0000309900000000 ] - [ -0.0007258700000000, 0.0009555000000000, -0.0004446200000000 ] - [ -0.0016112000000000, 0.0007151600000000, 0.0002164600000000 ] - [ -0.0000478900000000, -0.0004178500000000, -0.0004032300000000 ] - [ 0.0002555000000000, -0.0079420400000000, 0.0020002600000000 ] - [ -0.0003719300000000, -0.0011431100000000, 0.0011568700000000 ] - [ 0.0000095800000000, 0.0002443600000000, -0.0001145000000000 ] - [ -0.0000804400000000, 0.0001481700000000, 0.0002773200000000 ] - [ 0.0006935500000000, -0.0000911400000000, 0.0000587800000000 ] - [ 0.0005013200000000, 0.0005799600000000, 0.0011894100000000 ] - [ 0.0003308900000000, -0.0017796900000000, -0.0006399500000000 ] - [ -0.0008893000000000, -0.0000167500000000, -0.0000441500000000 ] - [ -0.0018416700000000, -0.0006492200000000, -0.0001722800000000 ] - [ -0.0011469600000000, -0.0006276700000000, 0.0020925400000000 ] - [ 0.0002438500000000, -0.0010659700000000, 0.0012418200000000 ] - [ -0.0004425000000000, -0.0014758900000000, 0.0007494800000000 ] - [ 0.0001883300000000, 0.0004612700000000, 0.0001354500000000 ] - [ -0.0002253600000000, 0.0003660000000000, 0.0003577000000000 ] - [ -0.0004697700000000, 0.0003982400000000, -0.0002686700000000 ] - [ -0.0001085100000000, 0.0002305900000000, -0.0003334100000000 ] - [ -0.0051341400000000, 0.0058762900000000, -0.0021058000000000 ] - [ -0.0001135100000000, 0.0017312500000000, -0.0037243100000000 ] - [ 0.0007327300000000, 0.0001268100000000, 0.0005448600000000 ] - [ 0.0000928800000000, -0.0007458700000000, -0.0008341600000000 ] - [ 0.0002474400000000, 0.0000004300000000, 0.0006389100000000 ] - [ 0.0015949800000000, 0.0001726400000000, -0.0004584700000000 ] - [ -0.0013992700000000, -0.0001756500000000, -0.0004372000000000 ] - [ 0.0001961000000000, -0.0003553800000000, -0.0003149500000000 ] - [ -0.0026895300000000, 0.0052001500000000, 0.0059763200000000 ] - [ -0.0018747600000000, -0.0045853000000000, -0.0080205000000000 ] - [ -0.0007571900000000, -0.0002153300000000, -0.0005177300000000 ] - [ 0.0004487200000000, -0.0001545500000000, -0.0003261700000000 ] - [ -0.0013149100000000, 0.0003114100000000, -0.0002928000000000 ] - [ 0.0005813200000000, 0.0001736500000000, -0.0009986400000000 ] - [ 0.0003737200000000, 0.0002569700000000, 0.0005501900000000 ] - [ -0.0009905400000000, -0.0000417900000000, 0.0003617500000000 ] - [ 0.0006919100000000, 0.0001530900000000, 0.0006042200000000 ] - [ -0.0016341800000000, -0.0002986500000000, 0.0005339900000000 ] - [ -0.0001164900000000, 0.0000161700000000, -0.0000228300000000 ] - [ 0.0002722300000000, -0.0000357100000000, -0.0002129700000000 ] - [ 0.0008999100000000, -0.0004954000000000, 0.0001866500000000 ] - [ -0.0004684800000000, -0.0002484400000000, -0.0000811000000000 ] - [ 0.0006756200000000, -0.0000192000000000, -0.0000832500000000 ] - [ -0.0003030900000000, -0.0001778400000000, 0.0000294700000000 ] - [ -0.0004193400000000, 0.0001783400000000, 0.0002758100000000 ] - [ 0.0009272400000000, 0.0000662600000000, 0.0001175400000000 ] - [ 0.0001155400000000, 0.0003209500000000, -0.0003946000000000 ] - [ -0.0003418600000000, 0.0003871400000000, -0.0000173300000000 ] - [ -0.0054211600000000, 0.0015577200000000, -0.0001836800000000 ] - [ 0.0005206600000000, 0.0005760900000000, -0.0008573600000000 ] - [ 0.0001688400000000, 0.0000193300000000, 0.0001128000000000 ] - [ -0.0012329700000000, -0.0021615400000000, -0.0003663700000000 ] - [ -0.0004129300000000, 0.0001056200000000, 0.0001835600000000 ] - [ 0.0002742000000000, -0.0005712700000000, 0.0005807400000000 ] - [ -0.0002421800000000, 0.0004252300000000, -0.0003164700000000 ] - [ -0.0012544000000000, 0.0013811300000000, 0.0003444700000000 ] - [ -0.0019909100000000, 0.0004940000000000, -0.0004788900000000 ] - [ -0.0005190300000000, 0.0003128200000000, 0.0005256600000000 ] - [ -0.0007193600000000, -0.0006872200000000, -0.0006045900000000 ] - [ 0.0008803400000000, -0.0001620700000000, -0.0000324700000000 ] - [ -0.0000855800000000, -0.0002360400000000, -0.0000423000000000 ] - [ -0.0002047600000000, -0.0002694900000000, 0.0001573500000000 ] - [ -0.0010963600000000, -0.0003567400000000, 0.0007329800000000 ] - [ -0.0002313000000000, -0.0009752900000000, 0.0015787600000000 ] - [ -0.0008336900000000, -0.0000926700000000, 0.0002295700000000 ] - [ 0.0027505900000000, 0.0008655200000000, 0.0015995000000000 ] - [ 0.0019026100000000, 0.0000533000000000, -0.0015612900000000 ] - [ -0.0021511200000000, 0.0001819800000000, -0.0002828000000000 ] - [ 0.0002814000000000, -0.0002531500000000, -0.0003685100000000 ] - [ -0.0007144800000000, -0.0002019100000000, -0.0006309500000000 ] - [ -0.0008032900000000, -0.0000813800000000, 0.0002695400000000 ] - [ -0.0005909900000000, 0.0001880700000000, 0.0003698000000000 ] - [ 0.0000509100000000, -0.0002848900000000, 0.0003464600000000 ] - [ -0.0008014400000000, -0.0001791400000000, 0.0002949700000000 ] - [ 0.0002294500000000, -0.0002850600000000, -0.0002627700000000 ] - [ -0.0015401100000000, -0.0001287800000000, -0.0017914400000000 ] - [ -0.0003561300000000, 0.0001529900000000, 0.0000694300000000 ] - [ -0.0006371800000000, -0.0001763200000000, -0.0000418900000000 ] - [ 0.0009223000000000, -0.0002508400000000, 0.0012743000000000 ] - [ 0.0000257200000000, -0.0062106300000000, -0.0000160600000000 ] - [ -0.0000548300000000, -0.0004608000000000, 0.0008095300000000 ] - [ 0.0012328200000000, -0.0006762100000000, 0.0009451700000000 ] - [ -0.0056928000000000, 0.0031655500000000, 0.0009365400000000 ] - [ -0.0003034700000000, -0.0004374600000000, -0.0006493900000000 ] - [ 0.0021563300000000, 0.0037062000000000, 0.0009505900000000 ] - [ 0.0001656800000000, 0.0012548400000000, -0.0019721000000000 ] - [ -0.0006712000000000, -0.0000357500000000, -0.0001121300000000 ] - [ 0.0008773400000000, 0.0001439600000000, 0.0001909400000000 ] - [ 0.0012497300000000, -0.0004893500000000, 0.0004489400000000 ] - [ -0.0584026400000000, -0.0442104600000000, 0.0474791900000000 ] - [ -0.0007073600000000, 0.0002293500000000, -0.0002292000000000 ] - [ -0.0000938200000000, 0.0007433200000000, 0.0004714100000000 ] - [ 0.0000865600000000, 0.0001883200000000, -0.0042350400000000 ] - [ 0.0020644200000000, -0.0005632100000000, 0.0000332500000000 ] - [ 0.0015817700000000, -0.0004536700000000, 0.0019169100000000 ] - [ -0.0000615100000000, 0.0004346200000000, 0.0005950900000000 ] - [ 0.0040360300000000, -0.0001875000000000, 0.0021881100000000 ] - [ -0.0024944000000000, -0.0007062700000000, 0.0007512300000000 ] - [ 0.0005312800000000, 0.0000797800000000, -0.0006166400000000 ] - [ 0.0015123000000000, 0.0002673900000000, -0.0013609400000000 ] - [ 0.0001056900000000, 0.0013192300000000, -0.0011598000000000 ] - [ 0.0022233900000000, 0.0014888000000000, -0.0017414100000000 ] - [ 0.0021544100000000, -0.0001701500000000, -0.0005708600000000 ] - [ -0.0014083100000000, -0.0001613700000000, 0.0000897100000000 ] - [ -0.0009767000000000, 0.0002845800000000, 0.0002500400000000 ] - [ 0.0004776200000000, 0.0000131300000000, -0.0000656700000000 ] - [ 0.0033772600000000, 0.0002342100000000, -0.0002701900000000 ] - [ 0.0011437900000000, 0.0003913500000000, 0.0015990300000000 ] - [ 0.0003701700000000, -0.0001553200000000, -0.0002517000000000 ] - [ -0.0010161600000000, 0.0000239800000000, 0.0003385400000000 ] - [ -0.0029624400000000, 0.0033561800000000, 0.0008172400000000 ] - [ -0.0001562100000000, 0.0003404700000000, -0.0003983400000000 ] - [ 0.0002044900000000, -0.0015367200000000, 0.0032476300000000 ] - [ 0.0003947400000000, -0.0000017300000000, 0.0000238300000000 ] - [ -0.0024129300000000, 0.0009347800000000, -0.0020813700000000 ] - [ 0.0006673400000000, -0.0000975500000000, -0.0006431300000000 ] - [ 0.0029380700000000, 0.0003056600000000, 0.0008792400000000 ] - [ -0.0083557000000000, -0.0053461300000000, -0.0053531600000000 ] - [ 0.0003638300000000, -0.0008765600000000, -0.0006063900000000 ] - [ 0.0004430800000000, -0.0001680400000000, -0.0002384600000000 ] - [ -0.0001199500000000, -0.0002538100000000, -0.0005129200000000 ] - [ -0.0009860600000000, 0.0002042500000000, -0.0001254300000000 ] - [ -0.0018588800000000, 0.0006551700000000, -0.0011804400000000 ] - [ -0.0232850200000000, -0.0034791700000000, 0.0026014100000000 ] - [ 0.0045603900000000, 0.0010051500000000, 0.0009045400000000 ] - [ 0.0017773600000000, 0.0001918600000000, 0.0010018400000000 ] - [ 0.0005358600000000, 0.0000978800000000, -0.0001108900000000 ] - [ 0.0028686300000000, 0.0007436900000000, -0.0009236700000000 ] - [ 0.0001621000000000, -0.0000719600000000, 0.0001851400000000 ] - [ -0.0093382000000000, 0.0139010600000000, -0.0015456000000000 ] - [ 0.0007678100000000, 0.0001536200000000, -0.0005547200000000 ] - [ -0.0006830000000000, 0.0001853200000000, -0.0003802400000000 ] - [ -0.0003955100000000, -0.0000253400000000, 0.0003801100000000 ] - [ 0.0003861600000000, -0.0000205200000000, 0.0004954900000000 ] - [ 0.0000522800000000, -0.0031556300000000, -0.0016070400000000 ] - [ 0.0010716400000000, -0.0012712200000000, 0.0002303800000000 ] - [ -0.0009615000000000, -0.0000687300000000, -0.0001733000000000 ] - [ 0.0008018300000000, 0.0004765700000000, 0.0000881800000000 ] - [ 0.0009985800000000, 0.0007255500000000, 0.0000703900000000 ] - [ -0.0004020100000000, 0.0000846800000000, 0.0000694700000000 ] - [ 0.0004272500000000, 0.0001882700000000, 0.0002868900000000 ] - [ -0.0001157800000000, -0.0002369800000000, 0.0007675700000000 ]- atom: 9 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001268500000000, -0.0013120900000000, -0.0000262800000000 ] - [ 0.0004403800000000, -0.0012105000000000, -0.0004909700000000 ] - [ -0.0002759500000000, 0.0005776100000000, -0.0003580800000000 ] - [ 0.0004931700000000, 0.0007484800000000, -0.0002500300000000 ] - [ -0.0006502300000000, -0.0003351300000000, 0.0005814500000000 ] - [ -0.0002314000000000, -0.0003044000000000, -0.0001820100000000 ] - [ 0.0004404900000000, 0.0008644600000000, 0.0003154400000000 ] - [ -0.0001782000000000, 0.0008596600000000, 0.0006658500000000 ] - [ -0.0558305100000000, -0.1517804700000000, 0.0688457800000000 ] - [ 0.0002207300000000, -0.0005958500000000, 0.0000471300000000 ] - [ 0.0005200500000000, -0.0005780600000000, -0.0003123600000000 ] - [ 0.0213960900000000, 0.0200594100000000, 0.0000161300000000 ] - [ -0.0002877300000000, -0.0003516200000000, 0.0000478800000000 ] - [ -0.0013693100000000, 0.0039084000000000, -0.0116970000000000 ] - [ 0.0013839900000000, -0.0048311400000000, -0.0020070800000000 ] - [ 0.0002315500000000, -0.0002542900000000, -0.0000217100000000 ] - [ -0.0007562500000000, 0.0006659300000000, -0.0003046300000000 ] - [ -0.0018225500000000, 0.0017627200000000, 0.0003070200000000 ] - [ -0.0000984000000000, 0.0000000800000000, -0.0000872100000000 ] - [ 0.0000806000000000, 0.0003709700000000, -0.0001134500000000 ] - [ -0.0000825000000000, -0.0007135100000000, 0.0001584700000000 ] - [ 0.0000582600000000, -0.0008586500000000, 0.0003620000000000 ] - [ 0.0090129800000000, 0.0097086100000000, -0.0024820200000000 ] - [ 0.0015068800000000, 0.0008461700000000, -0.0015647300000000 ] - [ 0.0000673400000000, 0.0014921600000000, 0.0000537300000000 ] - [ -0.0006059500000000, -0.0000266500000000, 0.0001302900000000 ] - [ -0.0001609100000000, 0.0006012500000000, -0.0002227800000000 ] - [ -0.0002890700000000, -0.0000455100000000, 0.0007646800000000 ] - [ 0.0008932700000000, 0.0006724600000000, 0.0006526900000000 ] - [ 0.0009230400000000, 0.0004092000000000, -0.0001327500000000 ] - [ 0.0020162000000000, -0.0003202800000000, 0.0005702700000000 ] - [ 0.0005989900000000, -0.0012158300000000, -0.0013075800000000 ] - [ -0.0000635800000000, 0.0014324800000000, -0.0003696300000000 ] - [ 0.0015631700000000, 0.0020854000000000, -0.0001849200000000 ] - [ -0.0009174300000000, -0.0008529300000000, -0.0004405600000000 ] - [ 0.0004249800000000, 0.0003613100000000, 0.0004826800000000 ] - [ 0.0004563400000000, 0.0002639000000000, -0.0002390900000000 ] - [ -0.0002782200000000, 0.0009033800000000, -0.0005456900000000 ] - [ -0.0010804700000000, -0.0018196800000000, -0.0004720100000000 ] - [ -0.0039814400000000, -0.0013689300000000, -0.0080272000000000 ] - [ 0.0005703300000000, 0.0010104700000000, -0.0009777400000000 ] - [ 0.0002668100000000, 0.0018481600000000, 0.0014204800000000 ] - [ 0.0000808500000000, -0.0006566200000000, -0.0002711300000000 ] - [ -0.0008910600000000, -0.0014786900000000, 0.0018049600000000 ] - [ 0.0001916100000000, -0.0005669400000000, 0.0002005700000000 ] - [ 0.0002078900000000, 0.0004783200000000, 0.0000414100000000 ] - [ -0.0046869400000000, 0.0000192400000000, 0.0038700100000000 ] - [ 0.0028147100000000, -0.0004520300000000, 0.0044143600000000 ] - [ 0.0002057100000000, 0.0002259800000000, -0.0002354900000000 ] - [ 0.0001658200000000, 0.0010110400000000, -0.0001514200000000 ] - [ -0.0001311200000000, -0.0004072300000000, -0.0001618200000000 ] - [ 0.0001442400000000, -0.0004597800000000, -0.0000575300000000 ] - [ -0.0006917200000000, 0.0012459900000000, 0.0006756000000000 ] - [ 0.0000487600000000, 0.0006662800000000, 0.0005089600000000 ] - [ 0.0002366700000000, -0.0011201200000000, 0.0004162300000000 ] - [ 0.0000437800000000, -0.0006855200000000, 0.0004460400000000 ] - [ 0.0002902900000000, 0.0004688800000000, -0.0002086500000000 ] - [ -0.0005199200000000, 0.0012889500000000, -0.0002350700000000 ] - [ -0.0002226200000000, 0.0010414200000000, -0.0005964100000000 ] - [ -0.0000564300000000, 0.0001158600000000, -0.0001010800000000 ] - [ -0.0002804100000000, 0.0005720900000000, -0.0001244800000000 ] - [ 0.0000762300000000, 0.0001137400000000, -0.0000381700000000 ] - [ -0.0000751000000000, 0.0006095700000000, -0.0000421000000000 ] - [ 0.0002380500000000, 0.0017444800000000, 0.0003732900000000 ] - [ -0.0003884200000000, 0.0004933500000000, -0.0004453900000000 ] - [ -0.0001015900000000, 0.0003752300000000, -0.0001650100000000 ] - [ -0.0078389400000000, -0.0016484100000000, 0.0004017500000000 ] - [ 0.0002120200000000, 0.0008339600000000, -0.0016676500000000 ] - [ -0.0008477300000000, 0.0008435900000000, 0.0000060400000000 ] - [ 0.0014362100000000, 0.0024445200000000, 0.0006120300000000 ] - [ 0.0001566200000000, 0.0004367800000000, -0.0001194100000000 ] - [ 0.0007017900000000, 0.0001372800000000, -0.0004821800000000 ] - [ -0.0010208800000000, -0.0007987300000000, -0.0001346400000000 ] - [ -0.0011411500000000, 0.0005833300000000, 0.0002503800000000 ] - [ -0.0007204000000000, -0.0004146300000000, -0.0005418700000000 ] - [ -0.0003327300000000, 0.0002930600000000, 0.0005684500000000 ] - [ 0.0004195600000000, -0.0003104000000000, 0.0005259500000000 ] - [ 0.0004884500000000, -0.0005267400000000, -0.0002883000000000 ] - [ 0.0000018700000000, 0.0001170700000000, -0.0002729300000000 ] - [ 0.0004407200000000, 0.0014962500000000, -0.0003113300000000 ] - [ -0.0000158400000000, -0.0006251500000000, 0.0000666900000000 ] - [ 0.0006317100000000, -0.0005402000000000, -0.0000735700000000 ] - [ 0.0000308800000000, 0.0014501800000000, 0.0005945800000000 ] - [ 0.0009076500000000, 0.0046759300000000, 0.0080183900000000 ] - [ -0.0004727500000000, 0.0015956700000000, 0.0016126600000000 ] - [ 0.0003352300000000, -0.0021156400000000, -0.0002741600000000 ] - [ 0.0002095400000000, 0.0000493000000000, -0.0004212100000000 ] - [ -0.0005126600000000, 0.0001000400000000, -0.0005025300000000 ] - [ 0.0004819900000000, 0.0000942800000000, -0.0002319600000000 ] - [ -0.0000267800000000, -0.0002562400000000, 0.0000018200000000 ] - [ 0.0001321000000000, 0.0008895300000000, -0.0002511200000000 ] - [ -0.0000526800000000, 0.0000950200000000, 0.0002669800000000 ] - [ -0.0000331300000000, 0.0004042000000000, 0.0004739100000000 ] - [ 0.0009873400000000, -0.0022989100000000, 0.0001315200000000 ] - [ -0.0002921800000000, 0.0004874000000000, -0.0000560000000000 ] - [ -0.0003123500000000, 0.0003819400000000, 0.0002538500000000 ] - [ 0.0010685300000000, -0.0007308100000000, 0.0005492100000000 ] - [ 0.0033687700000000, -0.0005617600000000, 0.0006671300000000 ] - [ 0.0005763200000000, -0.0016724300000000, 0.0008175000000000 ] - [ -0.0004990800000000, 0.0000257900000000, 0.0000565800000000 ] - [ -0.0030195500000000, 0.0003326700000000, -0.0054305600000000 ] - [ 0.0003862900000000, 0.0008693300000000, -0.0005268800000000 ] - [ -0.0045491200000000, -0.0038178900000000, -0.0042872100000000 ] - [ -0.0002252000000000, -0.0014527100000000, 0.0003835100000000 ] - [ 0.0003234200000000, -0.0014864500000000, -0.0007019200000000 ] - [ -0.0003365200000000, -0.0009260900000000, -0.0001230500000000 ] - [ -0.0001454400000000, 0.0005684700000000, 0.0000961900000000 ] - [ 0.0421077300000000, 0.0760204200000000, -0.0575519700000000 ] - [ 0.0000816800000000, -0.0008307700000000, 0.0006854500000000 ] - [ -0.0007692900000000, -0.0021493600000000, -0.0007480700000000 ] - [ 0.0007628500000000, 0.0030009400000000, -0.0016594200000000 ] - [ -0.0000921200000000, -0.0005838300000000, -0.0000013100000000 ] - [ 0.0035524100000000, -0.0007417300000000, 0.0024433600000000 ] - [ 0.0000031800000000, 0.0002521100000000, 0.0007838600000000 ] - [ 0.0020272100000000, 0.0044737100000000, 0.0025941100000000 ] - [ 0.0006251600000000, -0.0013648000000000, -0.0002408200000000 ] - [ -0.0010164900000000, -0.0006661200000000, -0.0011243600000000 ] - [ -0.0009429600000000, -0.0027812600000000, 0.0000720300000000 ] - [ -0.0006518700000000, 0.0006802600000000, -0.0004117600000000 ] - [ -0.0003479900000000, 0.0006259500000000, 0.0000333200000000 ] - [ -0.0000465700000000, 0.0010583800000000, 0.0001398800000000 ] - [ -0.0002390700000000, 0.0013635700000000, 0.0000172900000000 ] - [ 0.0002370400000000, -0.0025342200000000, 0.0003846200000000 ] - [ -0.0001340900000000, -0.0003977600000000, 0.0001669800000000 ] - [ -0.0011396100000000, 0.0006079400000000, 0.0002124500000000 ] - [ -0.0001772100000000, 0.0013825700000000, -0.0008197100000000 ] - [ 0.0001760600000000, -0.0015306900000000, 0.0000085400000000 ] - [ 0.0001319600000000, 0.0006222300000000, -0.0000271900000000 ] - [ 0.0017210800000000, -0.0053978000000000, -0.0011868100000000 ] - [ -0.0000805700000000, -0.0010059900000000, 0.0006156700000000 ] - [ 0.0025855900000000, 0.0027263900000000, 0.0007544600000000 ] - [ -0.0000301500000000, -0.0001685800000000, 0.0000745000000000 ] - [ -0.0008943500000000, 0.0019758100000000, 0.0021750400000000 ] - [ -0.0000205100000000, 0.0004172600000000, -0.0005042500000000 ] - [ 0.0000544000000000, 0.0006225100000000, 0.0005205500000000 ] - [ 0.0043618500000000, 0.0111727600000000, 0.0059386900000000 ] - [ 0.0001908000000000, -0.0009490100000000, -0.0003841700000000 ] - [ 0.0008738400000000, 0.0001027100000000, 0.0001044100000000 ] - [ -0.0005832700000000, 0.0005916200000000, 0.0000720200000000 ] - [ 0.0011764600000000, -0.0025497900000000, 0.0005929700000000 ] - [ -0.0006254400000000, 0.0005250700000000, 0.0028680800000000 ] - [ 0.0028535900000000, 0.0045845800000000, -0.0010507400000000 ] - [ -0.0050847400000000, -0.0004224300000000, -0.0007952000000000 ] - [ -0.0010405600000000, -0.0004305000000000, -0.0005335500000000 ] - [ -0.0001086600000000, 0.0001347300000000, 0.0000477500000000 ] - [ -0.0011556200000000, 0.0008863500000000, 0.0005959100000000 ] - [ 0.0001351800000000, -0.0007236700000000, -0.0000208200000000 ] - [ -0.0129263400000000, 0.0333067200000000, -0.0050239800000000 ] - [ -0.0006142000000000, -0.0005836000000000, -0.0003362300000000 ] - [ 0.0005947400000000, -0.0029109600000000, -0.0004708700000000 ] - [ 0.0001167200000000, -0.0008427700000000, 0.0006931900000000 ] - [ -0.0000876600000000, -0.0004104400000000, 0.0003992300000000 ] - [ 0.0017505400000000, 0.0009785200000000, -0.0020836000000000 ] - [ 0.0015285600000000, -0.0014682800000000, 0.0000523200000000 ] - [ -0.0001213200000000, -0.0019615200000000, -0.0004354500000000 ] - [ 0.0001119700000000, 0.0006861500000000, 0.0000906100000000 ] - [ -0.0005843300000000, 0.0002350600000000, 0.0004540200000000 ] - [ -0.0006310900000000, -0.0005152600000000, 0.0003033300000000 ] - [ 0.0004251500000000, -0.0002505800000000, 0.0000184800000000 ] - [ -0.0003732900000000, -0.0012056300000000, -0.0006816500000000 ]- atom: 9 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002108800000000, 0.0008508900000000, -0.0006769200000000 ] - [ 0.0000179600000000, 0.0011318800000000, -0.0002230600000000 ] - [ -0.0001851700000000, -0.0005011300000000, -0.0003534400000000 ] - [ -0.0004149700000000, -0.0002876700000000, -0.0004630900000000 ] - [ 0.0007278100000000, 0.0007939700000000, 0.0001325700000000 ] - [ -0.0002299900000000, 0.0003836400000000, 0.0008995900000000 ] - [ 0.0000203100000000, -0.0009434400000000, 0.0003992500000000 ] - [ 0.0001016900000000, -0.0013180200000000, 0.0000496200000000 ] - [ 0.0595109900000000, 0.1516622700000000, -0.0710406600000000 ] - [ -0.0004486300000000, 0.0009792100000000, -0.0002236900000000 ] - [ -0.0002914800000000, 0.0001947600000000, 0.0001364500000000 ] - [ -0.0222012300000000, -0.0205843900000000, -0.0002368400000000 ] - [ -0.0000957000000000, 0.0001239000000000, 0.0001286300000000 ] - [ 0.0016065300000000, -0.0043219100000000, 0.0120089800000000 ] - [ -0.0015918200000000, 0.0052452200000000, 0.0021503400000000 ] - [ 0.0001537700000000, 0.0004817300000000, 0.0001982100000000 ] - [ 0.0014722200000000, -0.0006236100000000, 0.0001566200000000 ] - [ 0.0017894800000000, -0.0010575000000000, -0.0004565500000000 ] - [ 0.0001411800000000, -0.0007136400000000, -0.0000596700000000 ] - [ 0.0001923300000000, -0.0000189300000000, -0.0001331400000000 ] - [ -0.0006259800000000, 0.0006647700000000, -0.0003054900000000 ] - [ -0.0000183800000000, 0.0001411700000000, -0.0002117500000000 ] - [ -0.0089477100000000, -0.0088768900000000, 0.0025691600000000 ] - [ -0.0007938700000000, -0.0008024500000000, 0.0017225300000000 ] - [ -0.0000320100000000, -0.0010400500000000, 0.0001453400000000 ] - [ 0.0001545200000000, 0.0000590700000000, 0.0000684000000000 ] - [ 0.0006111500000000, -0.0006339300000000, 0.0004210100000000 ] - [ 0.0002519300000000, -0.0004067100000000, -0.0005643000000000 ] - [ -0.0009220100000000, -0.0011253800000000, -0.0008480700000000 ] - [ -0.0004717900000000, -0.0004431300000000, -0.0000632200000000 ] - [ -0.0024574700000000, 0.0003531500000000, -0.0007630400000000 ] - [ -0.0005618600000000, 0.0016636100000000, 0.0011041500000000 ] - [ -0.0005760900000000, -0.0020388400000000, 0.0011258400000000 ] - [ -0.0009533400000000, -0.0027165200000000, 0.0009379000000000 ] - [ 0.0003153000000000, 0.0014957900000000, 0.0011982600000000 ] - [ 0.0002157900000000, 0.0002432000000000, 0.0002709700000000 ] - [ 0.0001843200000000, 0.0003406300000000, -0.0005123700000000 ] - [ -0.0003269400000000, -0.0002636000000000, -0.0002068500000000 ] - [ 0.0016838700000000, 0.0012013100000000, -0.0002870700000000 ] - [ 0.0033323800000000, 0.0007248900000000, 0.0072377300000000 ] - [ -0.0002958500000000, -0.0006592600000000, 0.0012286300000000 ] - [ -0.0006116100000000, -0.0015706300000000, -0.0011671700000000 ] - [ 0.0002657000000000, 0.0003827400000000, 0.0005191700000000 ] - [ 0.0006140100000000, 0.0011218200000000, -0.0015502000000000 ] - [ -0.0004644100000000, 0.0002166700000000, -0.0004484800000000 ] - [ 0.0001426000000000, -0.0007531500000000, -0.0002902700000000 ] - [ 0.0043442000000000, 0.0002761300000000, -0.0041447000000000 ] - [ -0.0035206700000000, 0.0003930600000000, -0.0042574900000000 ] - [ -0.0002824700000000, -0.0006864300000000, -0.0004774000000000 ] - [ 0.0002938600000000, -0.0010867600000000, -0.0005613400000000 ] - [ -0.0003284800000000, 0.0004873800000000, -0.0005517600000000 ] - [ -0.0000636700000000, 0.0009219000000000, -0.0006511800000000 ] - [ 0.0007660700000000, -0.0007841200000000, 0.0000387400000000 ] - [ -0.0005073800000000, -0.0005880300000000, 0.0002054400000000 ] - [ 0.0002238500000000, 0.0010402500000000, 0.0002977700000000 ] - [ -0.0001173900000000, 0.0002251500000000, 0.0002674800000000 ] - [ 0.0000942300000000, -0.0002402200000000, 0.0000319000000000 ] - [ 0.0002913900000000, -0.0009065000000000, 0.0000598700000000 ] - [ 0.0004471200000000, -0.0014247700000000, 0.0004191700000000 ] - [ -0.0003265600000000, -0.0003436200000000, -0.0000755700000000 ] - [ -0.0000902500000000, -0.0008584500000000, 0.0003124300000000 ] - [ 0.0001527800000000, -0.0004980200000000, 0.0002143300000000 ] - [ -0.0001516600000000, -0.0002248500000000, 0.0002175400000000 ] - [ 0.0001416900000000, -0.0015197700000000, -0.0001982800000000 ] - [ 0.0011074300000000, -0.0004536800000000, 0.0002977200000000 ] - [ 0.0000607700000000, 0.0003394300000000, 0.0000173200000000 ] - [ 0.0078482300000000, 0.0009176400000000, -0.0005411600000000 ] - [ 0.0000619100000000, -0.0004851000000000, 0.0014204200000000 ] - [ 0.0001299900000000, -0.0008810100000000, -0.0001566600000000 ] - [ -0.0013963200000000, -0.0031729900000000, -0.0004699700000000 ] - [ -0.0001955400000000, 0.0002816700000000, 0.0002695100000000 ] - [ 0.0000147800000000, -0.0000955700000000, 0.0006277000000000 ] - [ 0.0010526700000000, 0.0012472600000000, 0.0003319600000000 ] - [ 0.0006876800000000, -0.0005457700000000, -0.0000562500000000 ] - [ 0.0011741200000000, 0.0003800300000000, 0.0007371100000000 ] - [ 0.0002992600000000, -0.0007461000000000, -0.0003716400000000 ] - [ -0.0004550900000000, -0.0001397100000000, -0.0007283200000000 ] - [ -0.0000372200000000, 0.0004905400000000, 0.0000900100000000 ] - [ -0.0004541400000000, -0.0000795400000000, 0.0000743300000000 ] - [ -0.0004069900000000, -0.0010452700000000, 0.0001141900000000 ] - [ -0.0006229700000000, 0.0000195800000000, 0.0006850600000000 ] - [ -0.0000252200000000, -0.0000970700000000, 0.0008223200000000 ] - [ -0.0006359900000000, -0.0008135700000000, 0.0001563200000000 ] - [ -0.0002674600000000, -0.0040256600000000, -0.0071883500000000 ] - [ 0.0011179200000000, -0.0009915100000000, -0.0023726400000000 ] - [ -0.0009420800000000, 0.0027624200000000, -0.0004767000000000 ] - [ 0.0003953700000000, -0.0006896600000000, -0.0003305100000000 ] - [ -0.0001270900000000, -0.0007041000000000, -0.0002503600000000 ] - [ -0.0002061900000000, 0.0002534100000000, 0.0004796700000000 ] - [ -0.0003185700000000, 0.0005302100000000, 0.0002443500000000 ] - [ 0.0002175500000000, -0.0011661300000000, 0.0005011500000000 ] - [ -0.0002201000000000, -0.0004436000000000, -0.0000223500000000 ] - [ -0.0002399200000000, -0.0007507200000000, -0.0007201400000000 ] - [ -0.0006298400000000, 0.0020304500000000, -0.0003812500000000 ] - [ -0.0000575100000000, -0.0002138900000000, -0.0001919100000000 ] - [ -0.0004035400000000, -0.0004219800000000, -0.0001054400000000 ] - [ 0.0000897100000000, 0.0012878500000000, 0.0009793900000000 ] - [ -0.0039542200000000, 0.0017147200000000, 0.0008774400000000 ] - [ -0.0000182000000000, 0.0005097900000000, 0.0007081300000000 ] - [ -0.0006650000000000, -0.0005833100000000, 0.0014693800000000 ] - [ 0.0018449400000000, -0.0008752900000000, 0.0038924000000000 ] - [ 0.0001728300000000, -0.0020275600000000, -0.0010041300000000 ] - [ 0.0039785200000000, 0.0049684300000000, 0.0027435600000000 ] - [ 0.0013860400000000, 0.0020120200000000, -0.0019155600000000 ] - [ -0.0003228800000000, 0.0014845900000000, 0.0007007000000000 ] - [ 0.0003357100000000, 0.0009254300000000, 0.0001221700000000 ] - [ 0.0001442500000000, -0.0005688700000000, -0.0000961500000000 ] - [ -0.0440081500000000, -0.0773815700000000, 0.0602213900000000 ] - [ -0.0000801500000000, 0.0008281600000000, -0.0006871800000000 ] - [ 0.0007678300000000, 0.0021474600000000, 0.0007433600000000 ] - [ -0.0007528700000000, -0.0029966100000000, 0.0016568500000000 ] - [ 0.0000941400000000, 0.0005815000000000, 0.0000027100000000 ] - [ -0.0024033600000000, 0.0012987000000000, -0.0009274200000000 ] - [ -0.0005639700000000, 0.0009087300000000, 0.0007458900000000 ] - [ -0.0014829000000000, -0.0056382000000000, -0.0010619800000000 ] - [ -0.0017855700000000, 0.0008019700000000, 0.0017697400000000 ] - [ -0.0001421700000000, 0.0001063900000000, -0.0004025300000000 ] - [ 0.0015045700000000, 0.0016273200000000, -0.0016025900000000 ] - [ 0.0000910200000000, 0.0004751500000000, -0.0011155000000000 ] - [ 0.0015039200000000, -0.0000636800000000, -0.0015597900000000 ] - [ 0.0000462300000000, -0.0010590200000000, -0.0001393700000000 ] - [ 0.0002381700000000, -0.0013658100000000, -0.0000247000000000 ] - [ -0.0002267800000000, 0.0025383000000000, -0.0003899500000000 ] - [ 0.0001333100000000, 0.0003978000000000, -0.0001663300000000 ] - [ 0.0011326000000000, -0.0006029800000000, -0.0002110500000000 ] - [ 0.0001722100000000, -0.0013842200000000, 0.0008174900000000 ] - [ -0.0001744600000000, 0.0015324300000000, -0.0000080100000000 ] - [ -0.0001296400000000, -0.0006191800000000, 0.0000249100000000 ] - [ -0.0017259300000000, 0.0054127200000000, 0.0011918200000000 ] - [ 0.0000814100000000, 0.0010038600000000, -0.0006125400000000 ] - [ -0.0025866400000000, -0.0027306900000000, -0.0007499800000000 ] - [ 0.0000300900000000, 0.0001680300000000, -0.0000745300000000 ] - [ 0.0009092300000000, -0.0019835200000000, -0.0030844600000000 ] - [ 0.0000194600000000, -0.0004168900000000, -0.0004129300000000 ] - [ -0.0000523700000000, -0.0006214800000000, 0.0003968900000000 ] - [ -0.0044864300000000, -0.0112168700000000, -0.0052807100000000 ] - [ -0.0001797600000000, -0.0001659200000000, 0.0000223900000000 ] - [ 0.0002396400000000, -0.0000922500000000, -0.0004678200000000 ] - [ -0.0005316900000000, -0.0006004700000000, -0.0004319100000000 ] - [ -0.0011859800000000, 0.0036642900000000, -0.0009567200000000 ] - [ 0.0006211500000000, 0.0005906400000000, -0.0024952100000000 ] - [ -0.0040190000000000, -0.0046461400000000, 0.0014093700000000 ] - [ 0.0062237300000000, 0.0004323200000000, 0.0011605000000000 ] - [ 0.0010515200000000, -0.0006818100000000, 0.0008943800000000 ] - [ 0.0001073400000000, -0.0001342400000000, -0.0000473000000000 ] - [ 0.0011404900000000, -0.0008949100000000, -0.0005977600000000 ] - [ -0.0001360800000000, 0.0007248700000000, 0.0000212600000000 ] - [ 0.0120000500000000, -0.0312852300000000, 0.0045693100000000 ] - [ 0.0006122100000000, 0.0005827300000000, -0.0005799600000000 ] - [ -0.0005912600000000, 0.0029093300000000, -0.0004412600000000 ] - [ -0.0001157500000000, 0.0008430000000000, 0.0002237300000000 ] - [ 0.0000876200000000, 0.0004104200000000, 0.0005173900000000 ] - [ -0.0017346300000000, -0.0020741500000000, 0.0017228400000000 ] - [ -0.0004201000000000, 0.0014819300000000, -0.0004142800000000 ] - [ -0.0009925400000000, 0.0019498600000000, 0.0000749800000000 ] - [ -0.0001241300000000, 0.0004282500000000, -0.0004524700000000 ] - [ 0.0005747100000000, 0.0008775600000000, -0.0000931000000000 ] - [ -0.0004827100000000, 0.0005049400000000, 0.0000580500000000 ] - [ 0.0006887500000000, 0.0002607500000000, 0.0003432400000000 ] - [ 0.0003826700000000, 0.0000908500000000, 0.0010470400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005071700000000, 0.0003781400000000, 0.0037217200000000 ] - [ -0.0000358100000000, 0.0000310300000000, -0.0007959800000000 ] - [ -0.0003232600000000, -0.0000155100000000, 0.0004399900000000 ] - [ 0.0001685300000000, 0.0002968700000000, -0.0006750200000000 ] - [ -0.0013148600000000, 0.0002850800000000, 0.0006794300000000 ] - [ -0.0000586900000000, 0.0006571200000000, 0.0020411100000000 ] - [ 0.0000782700000000, -0.0000239800000000, -0.0000308200000000 ] - [ 0.0000400100000000, -0.0002407600000000, 0.0004292400000000 ] - [ 0.0508013000000000, 0.0719706100000000, -0.1281517900000000 ] - [ 0.0003953000000000, -0.0000845600000000, 0.0000440500000000 ] - [ -0.0000332200000000, -0.0003175900000000, -0.0000738200000000 ] - [ -0.0000870000000000, -0.0002017700000000, -0.0125435200000000 ] - [ -0.0001491800000000, -0.0001543800000000, 0.0006038900000000 ] - [ 0.0022137800000000, -0.0113751600000000, 0.0103295200000000 ] - [ -0.0120720900000000, -0.0020193500000000, 0.0103289200000000 ] - [ 0.0000836800000000, 0.0002232900000000, 0.0005680300000000 ] - [ 0.0018441400000000, -0.0007843700000000, 0.0000331400000000 ] - [ 0.0007410800000000, 0.0006251200000000, -0.0018970900000000 ] - [ 0.0001247700000000, -0.0002651200000000, 0.0004039800000000 ] - [ 0.0002761300000000, 0.0001355700000000, -0.0008023400000000 ] - [ -0.0016980000000000, 0.0012561600000000, 0.0000262000000000 ] - [ 0.0000441600000000, -0.0002570500000000, 0.0009271300000000 ] - [ -0.0038151900000000, -0.0056750900000000, -0.0006513000000000 ] - [ 0.0001284600000000, -0.0009143800000000, -0.0004075200000000 ] - [ 0.0000645300000000, -0.0002470300000000, -0.0002695900000000 ] - [ -0.0002843500000000, 0.0003695000000000, 0.0011089400000000 ] - [ 0.0004627400000000, -0.0003905800000000, 0.0008831800000000 ] - [ -0.0001954200000000, 0.0007118500000000, 0.0013190500000000 ] - [ 0.0003058700000000, 0.0012743500000000, 0.0003327200000000 ] - [ 0.0000641600000000, -0.0001236400000000, -0.0004228900000000 ] - [ -0.0010286900000000, 0.0003694100000000, -0.0014743200000000 ] - [ -0.0016318000000000, -0.0005802700000000, 0.0012607500000000 ] - [ -0.0007595300000000, -0.0010753500000000, -0.0002346900000000 ] - [ -0.0003979200000000, -0.0012555400000000, 0.0002493700000000 ] - [ 0.0004457200000000, 0.0009014500000000, 0.0022523100000000 ] - [ 0.0002258500000000, 0.0004127500000000, 0.0006350300000000 ] - [ 0.0000076800000000, 0.0005482700000000, -0.0003173800000000 ] - [ -0.0003209400000000, 0.0001005700000000, 0.0001359800000000 ] - [ 0.0002188400000000, -0.0001407000000000, -0.0030567800000000 ] - [ 0.0055715000000000, -0.0068241700000000, 0.0083202400000000 ] - [ -0.0006056100000000, -0.0010353500000000, 0.0012769200000000 ] - [ -0.0000483000000000, -0.0003941700000000, -0.0013486000000000 ] - [ -0.0001355800000000, -0.0003254200000000, 0.0018016500000000 ] - [ -0.0001240400000000, 0.0008264300000000, 0.0017212200000000 ] - [ -0.0004546500000000, -0.0000659400000000, -0.0008914600000000 ] - [ 0.0002762400000000, 0.0000177400000000, 0.0002564000000000 ] - [ -0.0071522700000000, 0.0059390600000000, 0.0017874200000000 ] - [ 0.0053663400000000, 0.0037423900000000, 0.0033965600000000 ] - [ -0.0002060200000000, -0.0002762700000000, -0.0005711500000000 ] - [ 0.0002613800000000, -0.0003391500000000, 0.0000683800000000 ] - [ -0.0004070800000000, 0.0002000700000000, -0.0007918200000000 ] - [ 0.0006505200000000, 0.0007770200000000, 0.0002637100000000 ] - [ -0.0001088800000000, 0.0003810500000000, 0.0005556600000000 ] - [ -0.0003256700000000, -0.0000828500000000, 0.0000016200000000 ] - [ 0.0004828800000000, -0.0000467100000000, 0.0021241000000000 ] - [ 0.0000731600000000, -0.0000872400000000, 0.0004899200000000 ] - [ 0.0001264700000000, -0.0000064100000000, 0.0002124100000000 ] - [ 0.0001103900000000, 0.0000152100000000, -0.0000710600000000 ] - [ 0.0002493200000000, -0.0011078700000000, 0.0000466000000000 ] - [ -0.0001846900000000, -0.0001004600000000, 0.0002722900000000 ] - [ -0.0000212100000000, -0.0003316400000000, -0.0007049200000000 ] - [ 0.0002430200000000, -0.0003792500000000, 0.0003344500000000 ] - [ -0.0002395100000000, 0.0001337800000000, 0.0003346200000000 ] - [ 0.0002204900000000, -0.0001719900000000, -0.0004258200000000 ] - [ 0.0019189700000000, -0.0010066700000000, -0.0000338500000000 ] - [ -0.0001161000000000, 0.0002658800000000, 0.0004494900000000 ] - [ 0.0009076000000000, -0.0000570100000000, -0.0021194000000000 ] - [ -0.0001525600000000, -0.0007568100000000, 0.0029355400000000 ] - [ -0.0005292100000000, 0.0002752400000000, -0.0000500100000000 ] - [ -0.0000526500000000, -0.0006486500000000, -0.0003164300000000 ] - [ -0.0002134800000000, 0.0001195900000000, 0.0003991300000000 ] - [ 0.0001598200000000, -0.0004869200000000, 0.0006726300000000 ] - [ 0.0011966400000000, 0.0006315200000000, 0.0009933100000000 ] - [ -0.0009678000000000, 0.0006562900000000, -0.0005720300000000 ] - [ 0.0003235300000000, -0.0000163800000000, -0.0003648400000000 ] - [ -0.0001156600000000, 0.0001007700000000, -0.0002665900000000 ] - [ 0.0002261100000000, 0.0001286800000000, -0.0000979100000000 ] - [ 0.0000589200000000, 0.0001362700000000, 0.0011968400000000 ] - [ -0.0001956000000000, -0.0001855300000000, 0.0006759000000000 ] - [ -0.0003585300000000, -0.0002781500000000, 0.0000091800000000 ] - [ -0.0007561300000000, -0.0004054900000000, 0.0008850800000000 ] - [ -0.0005328800000000, -0.0011047700000000, 0.0024285500000000 ] - [ -0.0003439800000000, 0.0000313800000000, 0.0000557900000000 ] - [ 0.0001569300000000, 0.0025287900000000, -0.0001683900000000 ] - [ 0.0007148700000000, 0.0016534700000000, -0.0000409000000000 ] - [ -0.0006987300000000, 0.0008181400000000, -0.0019280500000000 ] - [ 0.0003875600000000, -0.0004058300000000, 0.0000801000000000 ] - [ -0.0000552000000000, -0.0005378100000000, -0.0003209400000000 ] - [ -0.0002536400000000, 0.0000190100000000, -0.0001550900000000 ] - [ -0.0002725800000000, 0.0005561200000000, 0.0013284400000000 ] - [ 0.0000660000000000, -0.0001920400000000, -0.0003154300000000 ] - [ -0.0002600900000000, -0.0001641500000000, 0.0000635900000000 ] - [ 0.0000996100000000, -0.0000531300000000, 0.0008068800000000 ] - [ 0.0021544800000000, -0.0000336800000000, -0.0008088300000000 ] - [ -0.0002300100000000, 0.0000539900000000, 0.0002199700000000 ] - [ -0.0004052500000000, 0.0000034500000000, 0.0002486200000000 ] - [ -0.0001923800000000, 0.0010228100000000, 0.0016228500000000 ] - [ 0.0009415200000000, -0.0018391700000000, 0.0058505200000000 ] - [ 0.0000653500000000, -0.0002394300000000, 0.0000007800000000 ] - [ 0.0001769900000000, -0.0009443300000000, 0.0016906400000000 ] - [ -0.0006142700000000, -0.0038743600000000, -0.0031172000000000 ] - [ 0.0001054100000000, -0.0009387300000000, -0.0030378300000000 ] - [ 0.0018267400000000, 0.0022418700000000, 0.0021490900000000 ] - [ 0.0014069300000000, 0.0013364600000000, -0.0005954700000000 ] - [ -0.0000479700000000, 0.0000867800000000, -0.0005879500000000 ] - [ 0.0000590700000000, 0.0000573000000000, 0.0006524500000000 ] - [ -0.0000795100000000, 0.0000504400000000, -0.0007134500000000 ] - [ -0.0440967200000000, -0.0557530100000000, 0.0847680800000000 ] - [ -0.0004527700000000, 0.0002876600000000, -0.0019555100000000 ] - [ -0.0002580000000000, -0.0003316000000000, 0.0008212200000000 ] - [ 0.0027117200000000, -0.0000296300000000, -0.0036188300000000 ] - [ 0.0005667600000000, -0.0000355000000000, 0.0007733100000000 ] - [ -0.0041013000000000, 0.0018975500000000, -0.0026730000000000 ] - [ -0.0002663100000000, 0.0004626700000000, -0.0000557200000000 ] - [ -0.0005548400000000, -0.0007088000000000, 0.0029590000000000 ] - [ -0.0006052900000000, -0.0015324400000000, -0.0003926800000000 ] - [ -0.0005969000000000, -0.0004232200000000, -0.0008875800000000 ] - [ 0.0005282400000000, -0.0003243100000000, -0.0002897900000000 ] - [ 0.0003075100000000, 0.0012547000000000, -0.0022355600000000 ] - [ 0.0020337300000000, 0.0012854500000000, -0.0014350700000000 ] - [ 0.0006657900000000, -0.0001059800000000, 0.0008568000000000 ] - [ -0.0017236800000000, -0.0011532200000000, -0.0039399200000000 ] - [ -0.0003879800000000, 0.0008141300000000, 0.0005155400000000 ] - [ 0.0000544800000000, 0.0000850600000000, -0.0005815800000000 ] - [ 0.0004581100000000, 0.0000407100000000, 0.0008485600000000 ] - [ -0.0012712000000000, -0.0011675500000000, -0.0010233900000000 ] - [ 0.0003373700000000, 0.0000742800000000, 0.0001711600000000 ] - [ 0.0006111800000000, -0.0006963400000000, -0.0033017700000000 ] - [ -0.0003479100000000, -0.0000543400000000, 0.0013086300000000 ] - [ 0.0001893900000000, 0.0003173700000000, -0.0004166300000000 ] - [ -0.0043565400000000, 0.0001946900000000, -0.0010557400000000 ] - [ 0.0000378900000000, 0.0000924400000000, -0.0003918400000000 ] - [ -0.0001704200000000, -0.0001763500000000, -0.0057431000000000 ] - [ 0.0002569400000000, -0.0001312300000000, -0.0011899300000000 ] - [ 0.0002064400000000, 0.0000012900000000, 0.0011225000000000 ] - [ 0.0032320600000000, 0.0050680800000000, 0.0178742400000000 ] - [ 0.0003802200000000, -0.0008872000000000, -0.0004762500000000 ] - [ 0.0003786100000000, 0.0001178300000000, -0.0014774000000000 ] - [ -0.0004171300000000, -0.0004447500000000, -0.0014766500000000 ] - [ -0.0012240200000000, 0.0042683300000000, -0.0000278700000000 ] - [ 0.0015387500000000, 0.0022400100000000, -0.0019586900000000 ] - [ -0.0021256000000000, -0.0006464000000000, 0.0048046700000000 ] - [ 0.0008305900000000, -0.0001261000000000, 0.0010002100000000 ] - [ -0.0012685300000000, -0.0011472500000000, 0.0002952300000000 ] - [ -0.0000222000000000, -0.0000736400000000, -0.0005783400000000 ] - [ 0.0037728600000000, 0.0012266600000000, -0.0001199600000000 ] - [ -0.0001805800000000, 0.0004504200000000, -0.0001566600000000 ] - [ 0.0013411000000000, -0.0054806300000000, 0.0046294000000000 ] - [ 0.0002708400000000, 0.0001467400000000, -0.0003593000000000 ] - [ -0.0000512300000000, -0.0000830100000000, 0.0004520200000000 ] - [ -0.0000307600000000, 0.0004314800000000, -0.0002210500000000 ] - [ -0.0000129500000000, 0.0000006700000000, 0.0002595900000000 ] - [ 0.0015150100000000, -0.0039084400000000, -0.0005567700000000 ] - [ 0.0003069300000000, 0.0002237300000000, 0.0005263500000000 ] - [ -0.0006868000000000, 0.0002191000000000, 0.0004260200000000 ] - [ -0.0003565100000000, 0.0006682100000000, -0.0003579300000000 ] - [ 0.0003129900000000, 0.0007865400000000, 0.0002591900000000 ] - [ -0.0004747800000000, 0.0001962800000000, -0.0002297000000000 ] - [ 0.0005362200000000, 0.0000056300000000, -0.0006300000000000 ] - [ -0.0004896800000000, -0.0009047300000000, -0.0000704400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004388100000000, -0.0008404500000000, -0.0044713600000000 ] - [ 0.0004934100000000, -0.0001077000000000, 0.0000830800000000 ] - [ -0.0001364800000000, 0.0000969700000000, -0.0011564000000000 ] - [ -0.0000875900000000, 0.0001638000000000, -0.0000421000000000 ] - [ 0.0013966300000000, 0.0001745200000000, 0.0000376600000000 ] - [ -0.0004027900000000, -0.0005855300000000, -0.0013256100000000 ] - [ 0.0003825900000000, -0.0000548200000000, 0.0007461400000000 ] - [ -0.0001203000000000, -0.0002191400000000, 0.0002835300000000 ] - [ -0.0474862800000000, -0.0679105400000000, 0.1266210600000000 ] - [ -0.0006197000000000, 0.0004656200000000, -0.0002199900000000 ] - [ 0.0002611700000000, -0.0000666900000000, -0.0001034300000000 ] - [ -0.0002378300000000, 0.0000512100000000, 0.0123423000000000 ] - [ -0.0002327000000000, -0.0000727200000000, -0.0004295600000000 ] - [ -0.0019458000000000, 0.0107887400000000, -0.0100110500000000 ] - [ 0.0116359900000000, 0.0023831300000000, -0.0100119300000000 ] - [ 0.0002987800000000, 0.0000020500000000, -0.0003939000000000 ] - [ -0.0011166500000000, 0.0008193900000000, -0.0001823400000000 ] - [ -0.0007844600000000, 0.0000939100000000, 0.0017461300000000 ] - [ -0.0000830100000000, -0.0004516000000000, -0.0005510300000000 ] - [ -0.0000029100000000, 0.0002153900000000, 0.0005511300000000 ] - [ 0.0009720400000000, -0.0012882800000000, -0.0001756200000000 ] - [ -0.0000001800000000, -0.0004560100000000, -0.0007802200000000 ] - [ 0.0037718900000000, 0.0063952500000000, 0.0008263400000000 ] - [ 0.0005916300000000, 0.0009511600000000, 0.0005452800000000 ] - [ -0.0000277000000000, 0.0007004300000000, 0.0004654400000000 ] - [ -0.0001700000000000, -0.0003314100000000, -0.0009112900000000 ] - [ -0.0000100300000000, 0.0003525700000000, -0.0006826000000000 ] - [ 0.0001608200000000, -0.0011679800000000, -0.0011190700000000 ] - [ -0.0003463100000000, -0.0017260500000000, -0.0005301000000000 ] - [ 0.0003922500000000, 0.0000878900000000, 0.0002228300000000 ] - [ 0.0005742800000000, -0.0003368400000000, 0.0012719900000000 ] - [ 0.0016759500000000, 0.0010365800000000, -0.0014639000000000 ] - [ 0.0001113100000000, 0.0004705000000000, 0.0009808700000000 ] - [ 0.0010021300000000, 0.0006110200000000, 0.0005067500000000 ] - [ -0.0010474600000000, -0.0002584300000000, -0.0014971600000000 ] - [ 0.0004170600000000, 0.0001916400000000, 0.0001210200000000 ] - [ 0.0006354000000000, 0.0000565500000000, -0.0004398300000000 ] - [ -0.0002832000000000, 0.0005420400000000, -0.0008902000000000 ] - [ 0.0003663600000000, -0.0004742100000000, 0.0022968000000000 ] - [ -0.0062678600000000, 0.0063069600000000, -0.0091578700000000 ] - [ 0.0008714800000000, 0.0013788800000000, -0.0010289000000000 ] - [ -0.0003017900000000, 0.0006655500000000, 0.0015940800000000 ] - [ 0.0004907200000000, 0.0000508900000000, -0.0015514600000000 ] - [ -0.0001456400000000, -0.0011664700000000, -0.0014766800000000 ] - [ 0.0001807900000000, -0.0002829700000000, 0.0006391700000000 ] - [ 0.0000751500000000, -0.0002917600000000, -0.0005053900000000 ] - [ 0.0068575100000000, -0.0057178100000000, -0.0020284500000000 ] - [ -0.0060123100000000, -0.0037476300000000, -0.0032458400000000 ] - [ 0.0001291700000000, -0.0001838000000000, -0.0001451200000000 ] - [ 0.0001982000000000, 0.0002607600000000, -0.0007839500000000 ] - [ -0.0000526200000000, -0.0001212800000000, 0.0000790700000000 ] - [ -0.0005674400000000, -0.0003199900000000, -0.0009581100000000 ] - [ 0.0001854100000000, 0.0000783200000000, 0.0001563500000000 ] - [ -0.0001342300000000, 0.0001598200000000, 0.0007136200000000 ] - [ -0.0000251600000000, -0.0000304300000000, -0.0014097900000000 ] - [ -0.0001526700000000, -0.0003741000000000, 0.0002276700000000 ] - [ 0.0002568900000000, 0.0002331200000000, -0.0003865700000000 ] - [ -0.0003373500000000, 0.0003687900000000, -0.0001005300000000 ] - [ -0.0000226800000000, 0.0007268300000000, -0.0002174800000000 ] - [ -0.0001980000000000, -0.0001248200000000, -0.0004462300000000 ] - [ -0.0003626000000000, 0.0001068400000000, 0.0008827500000000 ] - [ -0.0000174800000000, -0.0000029700000000, -0.0001593000000000 ] - [ 0.0000134200000000, 0.0002501300000000, -0.0001590300000000 ] - [ 0.0001616500000000, 0.0003992300000000, 0.0006015600000000 ] - [ -0.0012150000000000, 0.0010562500000000, -0.0001101700000000 ] - [ 0.0000753100000000, 0.0004521000000000, -0.0005979600000000 ] - [ -0.0008320100000000, -0.0006606800000000, 0.0019682300000000 ] - [ 0.0004299700000000, 0.0011132800000000, -0.0031989100000000 ] - [ -0.0001868600000000, -0.0003163700000000, -0.0000964100000000 ] - [ 0.0000978900000000, -0.0000573100000000, 0.0004693500000000 ] - [ 0.0001724500000000, 0.0005959100000000, -0.0002513400000000 ] - [ 0.0005571000000000, 0.0005295700000000, -0.0005229300000000 ] - [ -0.0011697100000000, -0.0001842600000000, -0.0007973400000000 ] - [ 0.0005188800000000, -0.0006229900000000, 0.0007736200000000 ] - [ 0.0001328400000000, -0.0000199500000000, 0.0005679900000000 ] - [ 0.0000814200000000, -0.0005515500000000, 0.0004621000000000 ] - [ -0.0002607600000000, -0.0005826200000000, -0.0000957400000000 ] - [ 0.0003933500000000, -0.0001683000000000, -0.0013958400000000 ] - [ -0.0002573500000000, 0.0002195000000000, -0.0008723100000000 ] - [ 0.0003939900000000, 0.0007299400000000, -0.0002099300000000 ] - [ 0.0001160500000000, -0.0001986000000000, -0.0001307100000000 ] - [ 0.0011334800000000, 0.0004575900000000, -0.0016669400000000 ] - [ -0.0002576000000000, 0.0006167000000000, 0.0007021200000000 ] - [ 0.0004782900000000, -0.0019203100000000, 0.0008837000000000 ] - [ -0.0000805100000000, -0.0010499500000000, -0.0007090200000000 ] - [ 0.0000983800000000, -0.0001757500000000, 0.0011660300000000 ] - [ 0.0002161700000000, -0.0002357900000000, -0.0008343800000000 ] - [ -0.0005875900000000, -0.0000668600000000, -0.0004358800000000 ] - [ 0.0005291900000000, 0.0003299600000000, 0.0004091500000000 ] - [ -0.0000778600000000, -0.0002834100000000, -0.0010773700000000 ] - [ 0.0002824400000000, -0.0000797500000000, 0.0005614500000000 ] - [ -0.0000125300000000, -0.0001847100000000, 0.0001868000000000 ] - [ -0.0003731600000000, -0.0002961200000000, -0.0010532900000000 ] - [ -0.0018154300000000, -0.0002402200000000, 0.0005696700000000 ] - [ -0.0001184000000000, 0.0002204600000000, -0.0004709100000000 ] - [ -0.0003113100000000, -0.0000425800000000, -0.0000983000000000 ] - [ 0.0013479700000000, -0.0004634600000000, -0.0000873500000000 ] - [ -0.0014973500000000, 0.0029856000000000, -0.0043445300000000 ] - [ 0.0004900300000000, -0.0009188200000000, 0.0015271600000000 ] - [ -0.0013369700000000, 0.0003825200000000, -0.0001547900000000 ] - [ -0.0005479700000000, 0.0032903500000000, 0.0015890100000000 ] - [ 0.0004493300000000, -0.0002250700000000, 0.0015103900000000 ] - [ -0.0023745100000000, -0.0010648000000000, -0.0036680800000000 ] - [ -0.0002413600000000, -0.0007766600000000, -0.0009236100000000 ] - [ 0.0000474700000000, -0.0000851900000000, 0.0005932500000000 ] - [ -0.0000590700000000, -0.0000578000000000, -0.0006494000000000 ] - [ 0.0000786400000000, -0.0000500000000000, 0.0007155800000000 ] - [ 0.0417535100000000, 0.0527513200000000, -0.0825746500000000 ] - [ 0.0004543300000000, -0.0002823700000000, 0.0019531100000000 ] - [ 0.0002588100000000, 0.0003327100000000, -0.0008172100000000 ] - [ -0.0027257700000000, 0.0000403700000000, 0.0036135100000000 ] - [ -0.0005694000000000, 0.0000343400000000, -0.0007741100000000 ] - [ 0.0052758900000000, -0.0013428400000000, 0.0042093700000000 ] - [ -0.0002906100000000, 0.0006939700000000, 0.0015851400000000 ] - [ 0.0011034300000000, -0.0004620400000000, -0.0014439800000000 ] - [ -0.0005534600000000, 0.0009733000000000, 0.0019152800000000 ] - [ -0.0005651700000000, -0.0001359600000000, -0.0006426200000000 ] - [ 0.0000240800000000, -0.0008419900000000, -0.0012315100000000 ] - [ -0.0008624000000000, -0.0000906100000000, 0.0007061600000000 ] - [ -0.0008762400000000, -0.0007310400000000, -0.0000967400000000 ] - [ -0.0006668700000000, 0.0001061900000000, -0.0008618800000000 ] - [ 0.0017408400000000, 0.0011608900000000, 0.0039386800000000 ] - [ 0.0003888700000000, -0.0008147100000000, -0.0005207800000000 ] - [ -0.0000547900000000, -0.0000858300000000, 0.0005806400000000 ] - [ -0.0004573100000000, -0.0000387700000000, -0.0008488900000000 ] - [ 0.0012716200000000, 0.0011732500000000, 0.0010156000000000 ] - [ -0.0003378400000000, -0.0000752000000000, -0.0001676300000000 ] - [ -0.0006106700000000, 0.0006931300000000, 0.0033058300000000 ] - [ 0.0003606400000000, 0.0000334000000000, -0.0013138300000000 ] - [ -0.0001897100000000, -0.0003174300000000, 0.0004143600000000 ] - [ 0.0043288400000000, -0.0001953200000000, 0.0010576000000000 ] - [ -0.0000383800000000, -0.0000919800000000, 0.0003915100000000 ] - [ 0.0001734900000000, 0.0001786300000000, 0.0048075800000000 ] - [ -0.0002582100000000, 0.0001324300000000, 0.0002717800000000 ] - [ -0.0002034700000000, 0.0000003100000000, -0.0002012500000000 ] - [ -0.0037321400000000, -0.0057167000000000, -0.0179877100000000 ] - [ -0.0003710800000000, -0.0002256900000000, 0.0001131100000000 ] - [ 0.0007321300000000, -0.0001055800000000, 0.0011134200000000 ] - [ -0.0006937800000000, 0.0004337000000000, 0.0011136200000000 ] - [ 0.0012101600000000, -0.0031309400000000, -0.0003291200000000 ] - [ -0.0015585500000000, -0.0011399800000000, 0.0023224000000000 ] - [ 0.0009190800000000, 0.0006152800000000, -0.0044329900000000 ] - [ 0.0002568700000000, 0.0001343100000000, -0.0006434800000000 ] - [ 0.0012762900000000, 0.0000323000000000, 0.0000692900000000 ] - [ 0.0000221300000000, 0.0000730400000000, 0.0005786700000000 ] - [ -0.0037528300000000, -0.0012149900000000, 0.0001263300000000 ] - [ 0.0001808400000000, -0.0004533800000000, 0.0001550000000000 ] - [ -0.0012955000000000, 0.0053752400000000, -0.0045656400000000 ] - [ -0.0002708400000000, -0.0001472600000000, -0.0005594100000000 ] - [ 0.0000509100000000, 0.0000855400000000, -0.0013673300000000 ] - [ 0.0000305700000000, -0.0004329100000000, 0.0011368700000000 ] - [ 0.0000130300000000, -0.0000010700000000, 0.0006585600000000 ] - [ -0.0014999800000000, 0.0027745300000000, 0.0002011700000000 ] - [ 0.0008044700000000, -0.0002089700000000, -0.0008916800000000 ] - [ -0.0004258700000000, -0.0002291800000000, -0.0007879900000000 ] - [ 0.0003481600000000, 0.0004455700000000, -0.0000066300000000 ] - [ -0.0003247300000000, 0.0003269300000000, 0.0001055400000000 ] - [ -0.0006382400000000, -0.0002062800000000, 0.0005918800000000 ] - [ 0.0005765500000000, 0.0000032900000000, 0.0009926100000000 ] - [ 0.0005012500000000, -0.0002088700000000, 0.0004270300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0001923400000000, -0.0003805900000000, -0.0006052600000000 ] - [ -0.0000366800000000, 0.0003526300000000, -0.0003996600000000 ] - [ -0.0001111600000000, 0.0002665300000000, -0.0004830400000000 ] - [ -0.0013260500000000, -0.0001209400000000, -0.0006115900000000 ] - [ -0.0008323400000000, 0.0003983600000000, 0.0001152000000000 ] - [ 0.0005734000000000, -0.0007478800000000, -0.0007223600000000 ] - [ -0.0000855800000000, -0.0019361300000000, -0.0002820000000000 ] - [ -0.0002418100000000, 0.0009666100000000, 0.0007215200000000 ] - [ 0.0001609300000000, -0.0009960600000000, 0.0013885100000000 ] - [ -0.0014171900000000, 0.0020869700000000, -0.0003937000000000 ] - [ 0.0015264300000000, 0.0016191000000000, 0.0001791400000000 ] - [ 0.0010619600000000, 0.0001569200000000, 0.0012441500000000 ] - [ 0.0013154700000000, 0.0030641300000000, 0.0058000500000000 ] - [ 0.0093545900000000, -0.0084730100000000, 0.0060935300000000 ] - [ 0.0026890500000000, -0.0016058000000000, -0.0002065800000000 ] - [ 0.0009212700000000, 0.0012644300000000, 0.0003179500000000 ] - [ -0.1372126500000000, 0.0841404000000000, 0.0479048900000000 ] - [ -0.0018324100000000, 0.0003064900000000, 0.0043242300000000 ] - [ -0.0031433000000000, -0.0002971000000000, 0.0000268000000000 ] - [ 0.0092701200000000, -0.0029752500000000, -0.0170366500000000 ] - [ 0.0003570000000000, -0.0000592400000000, -0.0001156200000000 ] - [ -0.0010078500000000, -0.0009463100000000, 0.0001850100000000 ] - [ -0.0003912400000000, 0.0000196200000000, 0.0000240300000000 ] - [ 0.0019310200000000, 0.0000357300000000, 0.0003005200000000 ] - [ -0.0098022700000000, 0.0010157100000000, 0.0012425500000000 ] - [ 0.0004114400000000, -0.0002453700000000, 0.0000813000000000 ] - [ 0.0051493900000000, 0.0070176800000000, -0.0115765000000000 ] - [ -0.0004888500000000, -0.0002477100000000, -0.0001864800000000 ] - [ -0.0005891700000000, -0.0005259100000000, -0.0000496500000000 ] - [ 0.0031066200000000, -0.0013255100000000, -0.0012543100000000 ] - [ -0.0007186800000000, -0.0000330600000000, -0.0001129600000000 ] - [ -0.0003678700000000, 0.0000367200000000, -0.0001615400000000 ] - [ -0.0003199800000000, -0.0000619400000000, 0.0002479200000000 ] - [ -0.0001508500000000, -0.0005389200000000, 0.0002729400000000 ] - [ -0.0004370500000000, -0.0041965900000000, -0.0029508600000000 ] - [ 0.0004660300000000, 0.0001365200000000, 0.0007882200000000 ] - [ 0.0004433200000000, 0.0000946200000000, -0.0003484700000000 ] - [ -0.0010640300000000, 0.0013346700000000, -0.0009030800000000 ] - [ -0.0019325600000000, 0.0001649200000000, 0.0003982300000000 ] - [ -0.0000430300000000, -0.0004718300000000, -0.0002327900000000 ] - [ 0.0027328900000000, 0.0006345500000000, 0.0000376500000000 ] - [ -0.0006396100000000, -0.0002359600000000, 0.0000194400000000 ] - [ -0.0009531000000000, 0.0000736600000000, -0.0006661500000000 ] - [ -0.0000179500000000, -0.0007725100000000, 0.0001514900000000 ] - [ -0.0000085700000000, -0.0000784300000000, -0.0002158200000000 ] - [ -0.0018157700000000, 0.0000785100000000, 0.0005271800000000 ] - [ -0.0007193300000000, -0.0001701700000000, 0.0002392500000000 ] - [ -0.0011206100000000, -0.0004001300000000, 0.0001684400000000 ] - [ 0.0013590500000000, -0.0017801500000000, -0.0014546400000000 ] - [ 0.0014300100000000, 0.0012929700000000, -0.0003387600000000 ] - [ -0.0000811100000000, 0.0018209100000000, -0.0022672400000000 ] - [ 0.0008011200000000, 0.0001781600000000, -0.0006694400000000 ] - [ 0.0008997000000000, 0.0002989000000000, 0.0006563000000000 ] - [ -0.0002271600000000, -0.0008099800000000, -0.0000844700000000 ] - [ 0.0006420500000000, -0.0005172200000000, 0.0001970700000000 ] - [ 0.0002598100000000, 0.0000498400000000, 0.0000751600000000 ] - [ 0.0004377600000000, -0.0006344300000000, 0.0014820700000000 ] - [ 0.0002434500000000, 0.0002815100000000, -0.0001814300000000 ] - [ 0.0001330600000000, -0.0001632600000000, -0.0001798900000000 ] - [ -0.0007209700000000, -0.0006024400000000, 0.0000831600000000 ] - [ 0.0000879600000000, -0.0000677400000000, 0.0000418700000000 ] - [ 0.0001912700000000, -0.0004434800000000, 0.0003266500000000 ] - [ -0.0006147400000000, 0.0001335000000000, 0.0001872400000000 ] - [ 0.0002759500000000, 0.0004590800000000, 0.0002871200000000 ] - [ 0.0006863800000000, -0.0000989500000000, -0.0001261400000000 ] - [ 0.0003227700000000, 0.0004217000000000, -0.0000165400000000 ] - [ 0.0005605300000000, -0.0004216200000000, 0.0000860000000000 ] - [ 0.0004279400000000, 0.0000946500000000, -0.0002864100000000 ] - [ -0.0009978700000000, 0.0001569900000000, -0.0002104300000000 ] - [ 0.0011727000000000, -0.0000172800000000, -0.0002615700000000 ] - [ 0.0017315300000000, 0.0009484500000000, 0.0008859100000000 ] - [ -0.0000335700000000, 0.0000315400000000, -0.0000415600000000 ] - [ 0.0003953100000000, 0.0002819600000000, 0.0001182200000000 ] - [ -0.0029992100000000, 0.0005728400000000, -0.0013145800000000 ] - [ 0.0005832000000000, -0.0001282200000000, 0.0000178300000000 ] - [ 0.0004699300000000, -0.0006409800000000, 0.0000603800000000 ] - [ 0.0004842300000000, -0.0000203900000000, -0.0001737100000000 ] - [ 0.0001468300000000, -0.0006695600000000, -0.0005609100000000 ] - [ 0.0011877400000000, -0.0001485400000000, -0.0003215300000000 ] - [ 0.0016071500000000, 0.0005471500000000, 0.0000172200000000 ] - [ -0.0006378600000000, -0.0002004300000000, 0.0004931600000000 ] - [ 0.0013872300000000, -0.0001753900000000, 0.0001752100000000 ] - [ 0.0000911400000000, 0.0000424000000000, 0.0001268100000000 ] - [ 0.0003136200000000, 0.0000692500000000, 0.0005394500000000 ] - [ 0.0004643100000000, 0.0002523200000000, -0.0004531700000000 ] - [ 0.0004254800000000, 0.0006290500000000, -0.0005939700000000 ] - [ 0.0008271400000000, -0.0002570900000000, -0.0003138800000000 ] - [ 0.0126441400000000, -0.0129002400000000, 0.0030549800000000 ] - [ -0.0001018400000000, 0.0000933600000000, -0.0000525100000000 ] - [ 0.0003941700000000, 0.0002572800000000, 0.0002566700000000 ] - [ 0.0010786600000000, -0.0003512200000000, 0.0001376700000000 ] - [ -0.0001057300000000, -0.0002465000000000, -0.0002760000000000 ] - [ 0.0004018300000000, -0.0000120100000000, -0.0022297900000000 ] - [ 0.0006474900000000, -0.0002185800000000, -0.0001870600000000 ] - [ 0.0004717200000000, -0.0002034300000000, 0.0001596000000000 ] - [ 0.0001639300000000, -0.0000435500000000, 0.0001114200000000 ] - [ 0.0869613700000000, -0.0694270900000000, -0.0426434300000000 ] - [ 0.0037186200000000, 0.0008277200000000, 0.0001021700000000 ] - [ 0.0063987900000000, -0.0041675000000000, 0.0019284400000000 ] - [ -0.0010937100000000, -0.0000250600000000, 0.0006961400000000 ] - [ -0.0001626000000000, 0.0003941600000000, -0.0010039200000000 ] - [ 0.0024801700000000, 0.0013856100000000, 0.0009400500000000 ] - [ 0.0002513500000000, 0.0008754400000000, -0.0005572700000000 ] - [ -0.0028577900000000, -0.0007101600000000, -0.0017477600000000 ] - [ -0.0008439600000000, -0.0011741500000000, -0.0003135500000000 ] - [ 0.0006283800000000, 0.0018767200000000, 0.0008143000000000 ] - [ -0.0021101500000000, -0.0043067200000000, -0.0011244600000000 ] - [ -0.0036767300000000, 0.0024479400000000, -0.0046618900000000 ] - [ -0.0050546900000000, 0.0006270000000000, 0.0025129500000000 ] - [ 0.0020140500000000, 0.0000432300000000, -0.0008846100000000 ] - [ 0.0010339800000000, 0.0001136000000000, 0.0003392500000000 ] - [ -0.0013239000000000, 0.0025330300000000, 0.0085833000000000 ] - [ -0.0000448600000000, 0.0003516900000000, 0.0008541500000000 ] - [ -0.0010753400000000, 0.0008788700000000, 0.0005599600000000 ] - [ -0.0004785100000000, -0.0007633600000000, 0.0008405200000000 ] - [ 0.0003330600000000, -0.0001552500000000, 0.0015973900000000 ] - [ -0.0013761600000000, -0.0003410900000000, -0.0006424800000000 ] - [ -0.0013903400000000, 0.0002645500000000, 0.0001068000000000 ] - [ -0.0022335800000000, 0.0001500900000000, -0.0010053900000000 ] - [ 0.0012740800000000, 0.0003662800000000, -0.0006717400000000 ] - [ 0.0007493900000000, -0.0010370400000000, 0.0008542400000000 ] - [ -0.0007067300000000, 0.0006912200000000, 0.0010925400000000 ] - [ -0.0002515400000000, -0.0001349500000000, -0.0000393600000000 ] - [ 0.0007653400000000, 0.0007254300000000, -0.0008349300000000 ] - [ 0.0002428100000000, 0.0002021000000000, 0.0003086500000000 ] - [ -0.0010968200000000, -0.0001780500000000, -0.0000064600000000 ] - [ -0.0021987200000000, 0.0005161300000000, -0.0005453400000000 ] - [ -0.0007193900000000, 0.0004303500000000, 0.0002426200000000 ] - [ -0.0009757400000000, -0.0006693800000000, -0.0008009900000000 ] - [ 0.0004873500000000, -0.0000674900000000, 0.0003085700000000 ] - [ 0.0046151500000000, -0.0053932900000000, 0.0008462500000000 ] - [ -0.0009761900000000, -0.0000060500000000, -0.0045846000000000 ] - [ -0.0019449000000000, 0.0012099800000000, 0.0012779300000000 ] - [ -0.0000787400000000, -0.0007159600000000, -0.0016006100000000 ] - [ -0.0003928100000000, -0.0025384200000000, 0.0017204100000000 ] - [ -0.0002102200000000, 0.0001349400000000, -0.0000397700000000 ] - [ 0.0007691500000000, -0.0005206500000000, 0.0001097100000000 ] - [ 0.0055375800000000, 0.0001850000000000, 0.0008641100000000 ] - [ -0.0013420300000000, -0.0000531000000000, -0.0002289900000000 ] - [ 0.0235270800000000, 0.0081208300000000, 0.0054930800000000 ] - [ 0.0001501600000000, 0.0006792100000000, 0.0003825000000000 ] - [ 0.0002415100000000, 0.0002769100000000, -0.0000608400000000 ] - [ -0.0008195100000000, -0.0005177600000000, 0.0002391100000000 ] - [ 0.0008984200000000, -0.0007597000000000, 0.0001402100000000 ] - [ 0.0003311400000000, -0.0001300600000000, -0.0001712200000000 ] - [ -0.0019499000000000, -0.0005167400000000, 0.0002247300000000 ] - [ -0.0004495300000000, 0.0001103800000000, 0.0000694300000000 ] - [ -0.0001966200000000, 0.0004921700000000, -0.0001874900000000 ] - [ 0.0001081000000000, 0.0003283200000000, -0.0000238400000000 ] - [ -0.0003223900000000, -0.0003716600000000, -0.0008108400000000 ] - [ -0.0003493700000000, -0.0004116400000000, 0.0008329600000000 ] - [ 0.0001155300000000, 0.0038569800000000, -0.0007148300000000 ] - [ -0.0007119800000000, 0.0001611600000000, -0.0001553900000000 ] - [ 0.0001007600000000, 0.0002751100000000, -0.0000665300000000 ] - [ 0.0006602200000000, -0.0006047700000000, -0.0001091300000000 ] - [ -0.0001920500000000, 0.0006036400000000, -0.0001853400000000 ] - [ -0.0051414700000000, -0.0005375600000000, 0.0007627300000000 ] - [ -0.0018305400000000, 0.0001179200000000, -0.0000159900000000 ] - [ 0.0012098300000000, 0.0000719500000000, 0.0000712400000000 ] - [ -0.0008030900000000, -0.0006552500000000, 0.0004559400000000 ]- atom: 17 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0001189000000000, -0.0000800700000000, -0.0001065100000000 ] - [ 0.0004935000000000, -0.0004291100000000, -0.0003124300000000 ] - [ -0.0003477000000000, -0.0001867500000000, -0.0002304300000000 ] - [ 0.0013843100000000, 0.0005874200000000, -0.0001046400000000 ] - [ 0.0009063600000000, 0.0000619000000000, 0.0005975900000000 ] - [ -0.0010329000000000, 0.0008255600000000, 0.0014385900000000 ] - [ 0.0005407600000000, 0.0018460900000000, 0.0009967200000000 ] - [ 0.0001731700000000, -0.0014304800000000, -0.0000138900000000 ] - [ 0.0002255800000000, 0.0012311200000000, -0.0015750700000000 ] - [ 0.0011505600000000, -0.0017061700000000, 0.0002102900000000 ] - [ -0.0012918400000000, -0.0019881500000000, -0.0003521400000000 ] - [ -0.0014482900000000, -0.0003867400000000, -0.0014277000000000 ] - [ -0.0017181700000000, -0.0032710800000000, -0.0055780000000000 ] - [ -0.0092319100000000, 0.0081992600000000, -0.0059779300000000 ] - [ -0.0029292800000000, 0.0019985700000000, 0.0003855200000000 ] - [ -0.0005407900000000, -0.0010378900000000, -0.0001432100000000 ] - [ 0.1373787100000000, -0.0798902200000000, -0.0454568200000000 ] - [ 0.0018038800000000, 0.0004092800000000, -0.0044826500000000 ] - [ 0.0031852100000000, -0.0003983700000000, -0.0001897900000000 ] - [ -0.0088894900000000, 0.0032972300000000, 0.0165899200000000 ] - [ -0.0010724300000000, 0.0000177000000000, -0.0000307600000000 ] - [ 0.0010510500000000, 0.0002314400000000, -0.0000372800000000 ] - [ 0.0003516700000000, 0.0006997900000000, 0.0001272300000000 ] - [ -0.0012127800000000, 0.0000040300000000, -0.0001538200000000 ] - [ 0.0098293400000000, -0.0004902900000000, -0.0010239100000000 ] - [ -0.0008627600000000, 0.0002785800000000, 0.0001164600000000 ] - [ -0.0047156800000000, -0.0071367200000000, 0.0118986200000000 ] - [ 0.0004574500000000, -0.0002018800000000, 0.0003822400000000 ] - [ 0.0005591200000000, 0.0000814600000000, -0.0001497200000000 ] - [ -0.0026449300000000, 0.0012876500000000, 0.0010540400000000 ] - [ 0.0002640700000000, 0.0000691300000000, -0.0000843600000000 ] - [ 0.0004006100000000, 0.0004132500000000, -0.0000354100000000 ] - [ -0.0002733300000000, -0.0005314900000000, 0.0005185800000000 ] - [ 0.0007518500000000, -0.0001007900000000, 0.0004852000000000 ] - [ -0.0001577800000000, 0.0048590100000000, 0.0037177400000000 ] - [ 0.0001713600000000, 0.0004679500000000, -0.0000361300000000 ] - [ 0.0001919100000000, 0.0005097600000000, -0.0004034200000000 ] - [ 0.0004634800000000, -0.0006995000000000, 0.0001528300000000 ] - [ 0.0025325700000000, -0.0008082600000000, -0.0011219000000000 ] - [ -0.0005971400000000, -0.0001311300000000, -0.0005210600000000 ] - [ -0.0024698300000000, -0.0002890800000000, 0.0002138400000000 ] - [ 0.0002962200000000, 0.0005278900000000, 0.0002388900000000 ] - [ 0.0013007700000000, -0.0003493200000000, 0.0009155700000000 ] - [ -0.0002552900000000, 0.0004230200000000, 0.0000962900000000 ] - [ -0.0002689100000000, -0.0002711000000000, -0.0000331300000000 ] - [ 0.0021612200000000, -0.0003471300000000, -0.0007881000000000 ] - [ 0.0003729800000000, 0.0004446200000000, -0.0004831000000000 ] - [ 0.0004126400000000, 0.0003539000000000, -0.0000222500000000 ] - [ -0.0014361000000000, 0.0013156300000000, 0.0007344900000000 ] - [ -0.0009698400000000, -0.0013726700000000, -0.0003746800000000 ] - [ -0.0003781900000000, -0.0017314900000000, 0.0015434400000000 ] - [ -0.0007249800000000, 0.0002832800000000, -0.0000432800000000 ] - [ -0.0008195800000000, 0.0001608900000000, 0.0000564100000000 ] - [ -0.0002347700000000, 0.0008858400000000, 0.0007994500000000 ] - [ -0.0001807200000000, 0.0004388500000000, 0.0005170000000000 ] - [ -0.0003361700000000, -0.0005096000000000, 0.0006367700000000 ] - [ -0.0000531000000000, 0.0008594700000000, -0.0016493100000000 ] - [ -0.0004699000000000, 0.0001016600000000, 0.0000061400000000 ] - [ 0.0000957200000000, -0.0002205800000000, 0.0000041900000000 ] - [ 0.0003349900000000, 0.0003739000000000, -0.0002594300000000 ] - [ -0.0004701000000000, -0.0001591800000000, 0.0001351400000000 ] - [ 0.0000357400000000, 0.0000593000000000, -0.0001488700000000 ] - [ 0.0003843200000000, 0.0002520900000000, -0.0000106900000000 ] - [ 0.0001107800000000, -0.0002301300000000, -0.0001078400000000 ] - [ 0.0000293400000000, 0.0001410300000000, -0.0000215500000000 ] - [ -0.0003675300000000, 0.0002910300000000, -0.0001298500000000 ] - [ -0.0005178100000000, -0.0002920700000000, -0.0002341600000000 ] - [ -0.0001539200000000, 0.0002547900000000, 0.0000409700000000 ] - [ 0.0002860000000000, -0.0002021300000000, 0.0000640900000000 ] - [ -0.0011265400000000, -0.0006973200000000, 0.0004083800000000 ] - [ -0.0017715800000000, -0.0002312900000000, -0.0007342900000000 ] - [ 0.0007473900000000, 0.0000121200000000, 0.0001891700000000 ] - [ -0.0003609800000000, 0.0001691100000000, 0.0000803700000000 ] - [ 0.0025333000000000, -0.0005366700000000, 0.0015045600000000 ] - [ -0.0001331100000000, 0.0000944200000000, 0.0001806100000000 ] - [ -0.0005022400000000, 0.0001906700000000, 0.0001369200000000 ] - [ -0.0005170200000000, -0.0004292400000000, -0.0000244400000000 ] - [ 0.0003073100000000, 0.0006368700000000, 0.0003645900000000 ] - [ -0.0016371600000000, 0.0001822100000000, 0.0001260500000000 ] - [ -0.0015696700000000, -0.0000984900000000, -0.0002164500000000 ] - [ -0.0000019800000000, -0.0004041600000000, 0.0002590300000000 ] - [ -0.0007830500000000, -0.0004637200000000, 0.0005808100000000 ] - [ -0.0006955100000000, 0.0005944000000000, 0.0006243400000000 ] - [ 0.0003264600000000, 0.0005386700000000, 0.0002100700000000 ] - [ 0.0001757200000000, 0.0003524200000000, -0.0002974300000000 ] - [ -0.0010295200000000, 0.0000132300000000, -0.0001611300000000 ] - [ -0.0002215800000000, -0.0003811800000000, -0.0004359200000000 ] - [ -0.0131097100000000, 0.0120811300000000, -0.0037478800000000 ] - [ 0.0003752200000000, 0.0002560700000000, 0.0003017000000000 ] - [ -0.0007429700000000, 0.0000190000000000, -0.0000055500000000 ] - [ -0.0007262500000000, 0.0000751600000000, 0.0001113500000000 ] - [ -0.0001716500000000, -0.0001032900000000, 0.0005252600000000 ] - [ -0.0006776500000000, -0.0003382300000000, 0.0019854500000000 ] - [ -0.0002988900000000, -0.0000559100000000, -0.0000631600000000 ] - [ -0.0008207000000000, 0.0004775100000000, -0.0004087100000000 ] - [ -0.0008778300000000, 0.0000001500000000, 0.0000366200000000 ] - [ -0.0839696100000000, 0.0666655700000000, 0.0420892600000000 ] - [ -0.0042714300000000, 0.0003233100000000, 0.0014065300000000 ] - [ -0.0058705700000000, 0.0029948200000000, -0.0003826000000000 ] - [ -0.0000621300000000, -0.0005355500000000, 0.0008306600000000 ] - [ -0.0010020200000000, -0.0009548800000000, -0.0005244100000000 ] - [ -0.0019244500000000, -0.0025406000000000, -0.0024672200000000 ] - [ -0.0008034400000000, 0.0002785700000000, -0.0009797100000000 ] - [ 0.0040120000000000, 0.0012777100000000, 0.0002323000000000 ] - [ 0.0008389500000000, 0.0011753000000000, 0.0003183300000000 ] - [ -0.0006171300000000, -0.0018699200000000, -0.0008163500000000 ] - [ 0.0021151900000000, 0.0042698400000000, 0.0011064000000000 ] - [ 0.0036874900000000, -0.0024513500000000, 0.0046777300000000 ] - [ 0.0050520700000000, -0.0006240000000000, -0.0025178400000000 ] - [ -0.0020277500000000, -0.0000911400000000, 0.0009175400000000 ] - [ -0.0010332100000000, -0.0001114400000000, -0.0003396500000000 ] - [ 0.0013225400000000, -0.0025198000000000, -0.0085653900000000 ] - [ 0.0012039600000000, 0.0002045400000000, 0.0006746400000000 ] - [ 0.0005183000000000, 0.0002821600000000, 0.0009660300000000 ] - [ 0.0010362900000000, -0.0004017600000000, 0.0006882400000000 ] - [ -0.0014973000000000, -0.0004049700000000, -0.0000718100000000 ] - [ 0.0002168000000000, -0.0002176700000000, -0.0008837200000000 ] - [ 0.0019455000000000, -0.0014205900000000, -0.0016295700000000 ] - [ 0.0016767300000000, 0.0010098400000000, -0.0005250800000000 ] - [ -0.0001114100000000, 0.0001921100000000, -0.0008556400000000 ] - [ -0.0007443300000000, 0.0010332300000000, -0.0008503100000000 ] - [ 0.0007061000000000, -0.0006937700000000, -0.0010941300000000 ] - [ 0.0002489300000000, 0.0001341200000000, 0.0000366800000000 ] - [ -0.0007602300000000, -0.0007239900000000, 0.0008319100000000 ] - [ -0.0002391000000000, -0.0002023100000000, -0.0003101700000000 ] - [ 0.0010969400000000, 0.0001768700000000, 0.0000069400000000 ] - [ 0.0021959100000000, -0.0005136800000000, 0.0005476900000000 ] - [ 0.0007179800000000, -0.0004316100000000, -0.0002433000000000 ] - [ 0.0009707700000000, 0.0006727000000000, 0.0007996900000000 ] - [ -0.0004877600000000, 0.0000670000000000, -0.0003096000000000 ] - [ -0.0045587600000000, 0.0053333600000000, -0.0008138600000000 ] - [ 0.0009802800000000, 0.0000032400000000, 0.0045623700000000 ] - [ 0.0019478400000000, -0.0012169900000000, -0.0022035600000000 ] - [ 0.0000785500000000, 0.0007159300000000, 0.0006848500000000 ] - [ 0.0003983600000000, 0.0025238600000000, -0.0007985300000000 ] - [ 0.0002089300000000, -0.0001346000000000, 0.0009589600000000 ] - [ -0.0007554100000000, -0.0005908200000000, -0.0004663800000000 ] - [ -0.0044362900000000, -0.0001634400000000, -0.0012368200000000 ] - [ 0.0002298400000000, 0.0000415700000000, -0.0001335300000000 ] - [ -0.0249764700000000, -0.0077322500000000, -0.0064247500000000 ] - [ -0.0001616900000000, 0.0004337400000000, -0.0000215700000000 ] - [ -0.0013594900000000, -0.0002836400000000, 0.0004205600000000 ] - [ 0.0019322000000000, 0.0005278500000000, 0.0001244700000000 ] - [ -0.0008871400000000, -0.0003512600000000, 0.0002227200000000 ] - [ -0.0003305600000000, 0.0001310700000000, 0.0001721500000000 ] - [ 0.0019491300000000, 0.0005152000000000, -0.0002239100000000 ] - [ 0.0004490500000000, -0.0001097000000000, -0.0000695400000000 ] - [ 0.0001948000000000, -0.0004954300000000, 0.0001877500000000 ] - [ -0.0001055400000000, -0.0003276000000000, -0.0008926200000000 ] - [ 0.0003175500000000, 0.0003704200000000, -0.0001059900000000 ] - [ 0.0003482900000000, 0.0004127100000000, 0.0000836900000000 ] - [ -0.0001098500000000, -0.0038370000000000, 0.0016302000000000 ] - [ 0.0007213400000000, -0.0012777800000000, -0.0002061400000000 ] - [ 0.0010122400000000, -0.0002646000000000, -0.0002950100000000 ] - [ -0.0017747900000000, 0.0005965300000000, -0.0002715900000000 ] - [ 0.0001825900000000, 0.0005100600000000, -0.0001765200000000 ] - [ 0.0051114000000000, 0.0016516300000000, -0.0003958300000000 ] - [ 0.0007150100000000, -0.0001266900000000, 0.0003765500000000 ] - [ -0.0000963400000000, -0.0000634200000000, 0.0002931300000000 ] - [ 0.0008123800000000, -0.0004580400000000, -0.0000946600000000 ]- atom: 17 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003350100000000, -0.0003046700000000, -0.0001290900000000 ] - [ 0.0007343700000000, 0.0004677200000000, -0.0007528800000000 ] - [ -0.0001399900000000, 0.0012216800000000, -0.0008806300000000 ] - [ -0.0019400900000000, 0.0027039600000000, -0.0000918600000000 ] - [ 0.0003706400000000, -0.0000496000000000, 0.0006706600000000 ] - [ -0.0008153400000000, -0.0013232600000000, 0.0006254500000000 ] - [ -0.0008654400000000, 0.0000686400000000, 0.0016196700000000 ] - [ 0.0024393600000000, 0.0011227000000000, -0.0008095600000000 ] - [ -0.0002131000000000, 0.0007565700000000, -0.0008888500000000 ] - [ 0.0077724600000000, 0.0056476100000000, 0.0007843200000000 ] - [ 0.0019228200000000, -0.0022325400000000, -0.0008516300000000 ] - [ -0.0009295600000000, -0.0008030800000000, -0.0013619100000000 ] - [ 0.0043972200000000, -0.0005445600000000, 0.0038384000000000 ] - [ -0.0088918800000000, -0.0005022700000000, -0.0037104800000000 ] - [ -0.0015270000000000, 0.0014417300000000, 0.0001623300000000 ] - [ 0.0013576900000000, 0.0009358300000000, 0.0010234600000000 ] - [ 0.0808504300000000, -0.1704177600000000, -0.0556799100000000 ] - [ -0.0000489800000000, -0.0028012500000000, 0.0012327500000000 ] - [ 0.0000450400000000, -0.0021684700000000, -0.0017097500000000 ] - [ -0.0029637600000000, -0.0034517200000000, 0.0039097400000000 ] - [ -0.0003965700000000, 0.0005449600000000, -0.0001833400000000 ] - [ 0.0005592700000000, 0.0013948300000000, 0.0005080300000000 ] - [ 0.0002697700000000, 0.0015047600000000, 0.0005161800000000 ] - [ 0.0003737700000000, -0.0007864300000000, 0.0001182000000000 ] - [ 0.0025197200000000, 0.0242038600000000, 0.0130521200000000 ] - [ -0.0004344300000000, 0.0005357900000000, 0.0001402900000000 ] - [ 0.0048565700000000, -0.0018763300000000, -0.0052436100000000 ] - [ -0.0001973500000000, -0.0013021400000000, 0.0002861200000000 ] - [ 0.0005566300000000, 0.0020737700000000, -0.0002479700000000 ] - [ -0.0006810400000000, -0.0000257100000000, 0.0005189900000000 ] - [ -0.0005589000000000, 0.0012225600000000, -0.0001775600000000 ] - [ 0.0000840900000000, 0.0008025100000000, 0.0000571200000000 ] - [ -0.0001813300000000, -0.0012086000000000, 0.0001801600000000 ] - [ 0.0001130700000000, 0.0004900200000000, 0.0011762200000000 ] - [ -0.0027676400000000, 0.0068161500000000, 0.0068476900000000 ] - [ 0.0004781700000000, -0.0004146700000000, 0.0007441900000000 ] - [ 0.0004132000000000, 0.0016843700000000, -0.0004382700000000 ] - [ 0.0001052900000000, 0.0007774100000000, -0.0013042500000000 ] - [ 0.0013495700000000, -0.0010175800000000, -0.0082437300000000 ] - [ -0.0004298600000000, -0.0000129000000000, -0.0004238100000000 ] - [ 0.0001557400000000, -0.0008418000000000, 0.0003768900000000 ] - [ 0.0006772600000000, 0.0042188700000000, 0.0022121700000000 ] - [ 0.0007297100000000, -0.0001673800000000, 0.0019514000000000 ] - [ -0.0005497400000000, 0.0009679500000000, 0.0000244900000000 ] - [ 0.0002209800000000, 0.0007417800000000, -0.0006649600000000 ] - [ 0.0007074900000000, 0.0019933600000000, -0.0029241000000000 ] - [ -0.0008559800000000, -0.0004919100000000, -0.0008673200000000 ] - [ -0.0007289100000000, 0.0013835500000000, -0.0000677600000000 ] - [ -0.0014216300000000, 0.0008744100000000, 0.0002446900000000 ] - [ 0.0006911700000000, 0.0000777500000000, -0.0006346300000000 ] - [ -0.0000734100000000, -0.0012448900000000, 0.0002665600000000 ] - [ -0.0002418300000000, 0.0000721000000000, -0.0001602100000000 ] - [ 0.0006202200000000, 0.0006207100000000, 0.0004671300000000 ] - [ -0.0004882400000000, 0.0013281300000000, 0.0009859500000000 ] - [ -0.0002587500000000, 0.0001648400000000, 0.0006818500000000 ] - [ 0.0001331200000000, -0.0003605200000000, 0.0004534700000000 ] - [ -0.0001105100000000, 0.0005870000000000, -0.0011175200000000 ] - [ 0.0000066100000000, 0.0002243400000000, 0.0000165600000000 ] - [ 0.0001931700000000, 0.0001320600000000, 0.0000077200000000 ] - [ -0.0002298900000000, 0.0007497300000000, -0.0003818200000000 ] - [ -0.0000351800000000, 0.0002892800000000, 0.0001100100000000 ] - [ -0.0000627200000000, 0.0002012600000000, -0.0001049000000000 ] - [ -0.0001516100000000, 0.0002606600000000, 0.0000649600000000 ] - [ 0.0007841000000000, 0.0002301400000000, 0.0005958000000000 ] - [ 0.0002380200000000, 0.0003559700000000, 0.0000025600000000 ] - [ 0.0000678400000000, 0.0008979900000000, -0.0000677300000000 ] - [ -0.0000683800000000, -0.0000149500000000, -0.0001856800000000 ] - [ -0.0000266100000000, 0.0005556300000000, -0.0000435400000000 ] - [ -0.0001786700000000, -0.0005089600000000, 0.0001454600000000 ] - [ -0.0002721800000000, -0.0007291400000000, 0.0002590100000000 ] - [ -0.0005561600000000, -0.0006706700000000, -0.0004496300000000 ] - [ 0.0003695200000000, 0.0006461600000000, 0.0002031800000000 ] - [ 0.0000096800000000, 0.0004142900000000, 0.0001791400000000 ] - [ 0.0001107300000000, -0.0015189400000000, 0.0006108600000000 ] - [ 0.0002568800000000, 0.0003701600000000, -0.0000237700000000 ] - [ 0.0000629900000000, 0.0007556500000000, 0.0000985200000000 ] - [ -0.0001501100000000, -0.0006591700000000, -0.0000097700000000 ] - [ -0.0004775900000000, 0.0017026500000000, 0.0006196400000000 ] - [ -0.0004282300000000, -0.0004316900000000, -0.0000911900000000 ] - [ -0.0006241100000000, -0.0000583900000000, -0.0001862400000000 ] - [ -0.0002419100000000, 0.0001687000000000, 0.0007203200000000 ] - [ 0.0000976300000000, -0.0008516600000000, 0.0006148400000000 ] - [ -0.0005162200000000, 0.0004403000000000, 0.0005770700000000 ] - [ 0.0002838900000000, 0.0013772200000000, 0.0000606800000000 ] - [ 0.0003542800000000, -0.0002664700000000, -0.0004520700000000 ] - [ -0.0002091400000000, 0.0003058500000000, -0.0006456400000000 ] - [ 0.0002852300000000, 0.0000163900000000, -0.0004535300000000 ] - [ -0.0126974100000000, 0.0028933600000000, -0.0023331100000000 ] - [ 0.0002184700000000, 0.0007263200000000, 0.0003743800000000 ] - [ -0.0000034800000000, -0.0002464400000000, 0.0001656500000000 ] - [ -0.0000925100000000, -0.0000553900000000, 0.0003535100000000 ] - [ -0.0003400400000000, -0.0005655700000000, 0.0006706200000000 ] - [ 0.0000759300000000, -0.0005962200000000, -0.0010489600000000 ] - [ 0.0000873800000000, -0.0000997000000000, -0.0002102200000000 ] - [ -0.0004068400000000, 0.0006906200000000, -0.0004923100000000 ] - [ -0.0003817400000000, -0.0002722200000000, 0.0000243200000000 ] - [ -0.0708298900000000, 0.1003828500000000, 0.0491831800000000 ] - [ 0.0015551200000000, 0.0061649800000000, 0.0025633200000000 ] - [ -0.0011761200000000, -0.0014321000000000, 0.0056325700000000 ] - [ -0.0010222100000000, -0.0016384900000000, 0.0009064800000000 ] - [ -0.0004776900000000, -0.0031608400000000, -0.0006888900000000 ] - [ -0.0018571600000000, -0.0048600600000000, -0.0039352800000000 ] - [ 0.0006563300000000, -0.0020394100000000, -0.0024192300000000 ] - [ 0.0007357200000000, 0.0014225400000000, -0.0007596900000000 ] - [ -0.0012917600000000, -0.0010283400000000, 0.0012241300000000 ] - [ 0.0018451000000000, -0.0016077400000000, -0.0017551100000000 ] - [ -0.0055402300000000, 0.0008383200000000, -0.0024945800000000 ] - [ 0.0020424700000000, -0.0019328300000000, 0.0030770000000000 ] - [ -0.0019438700000000, 0.0022005400000000, 0.0006464200000000 ] - [ -0.0029249800000000, -0.0115627000000000, 0.0051504500000000 ] - [ 0.0001736000000000, 0.0004903300000000, -0.0008341100000000 ] - [ 0.0008195500000000, 0.0008574800000000, -0.0033184400000000 ] - [ 0.0007556000000000, -0.0000969900000000, 0.0005980500000000 ] - [ -0.0001320600000000, -0.0003494600000000, 0.0010470400000000 ] - [ 0.0002847400000000, -0.0008829100000000, 0.0009405500000000 ] - [ -0.0003615900000000, 0.0009882200000000, 0.0007859200000000 ] - [ -0.0005209800000000, 0.0003113700000000, -0.0010168500000000 ] - [ 0.0008788200000000, -0.0005983600000000, -0.0012897000000000 ] - [ 0.0000053500000000, 0.0017458800000000, -0.0006959600000000 ] - [ 0.0004621800000000, -0.0006174500000000, -0.0010419400000000 ] - [ -0.0008664000000000, 0.0006553800000000, 0.0000667600000000 ] - [ 0.0007134300000000, 0.0002954100000000, -0.0007359600000000 ] - [ -0.0003028300000000, -0.0004499400000000, -0.0004035300000000 ] - [ -0.0001580400000000, -0.0006288300000000, 0.0005839000000000 ] - [ 0.0001011500000000, -0.0016489000000000, 0.0000844600000000 ] - [ 0.0001147800000000, 0.0002212200000000, -0.0001163600000000 ] - [ 0.0009201000000000, -0.0008409000000000, 0.0001723200000000 ] - [ 0.0009062500000000, -0.0015788700000000, 0.0000025600000000 ] - [ -0.0004632400000000, 0.0008472400000000, -0.0000795400000000 ] - [ -0.0000665800000000, -0.0002934400000000, -0.0001185900000000 ] - [ -0.0050228100000000, 0.0285021200000000, -0.0080945500000000 ] - [ 0.0004801800000000, 0.0027969900000000, 0.0024531500000000 ] - [ 0.0023721600000000, 0.0000313200000000, -0.0013691300000000 ] - [ -0.0006214600000000, -0.0001259700000000, -0.0016697600000000 ] - [ -0.0022045800000000, 0.0011448100000000, 0.0024629900000000 ] - [ 0.0001895200000000, 0.0001715100000000, 0.0007437000000000 ] - [ 0.0000714000000000, 0.0001131500000000, -0.0001003000000000 ] - [ 0.0004185000000000, 0.0040923500000000, -0.0023739500000000 ] - [ -0.0009075600000000, -0.0003042100000000, -0.0003321300000000 ] - [ 0.0073519000000000, 0.0121776900000000, 0.0042012600000000 ] - [ 0.0000148700000000, -0.0000118700000000, -0.0002990100000000 ] - [ -0.0002015200000000, -0.0017262800000000, 0.0012055900000000 ] - [ 0.0009953600000000, 0.0006967400000000, 0.0001586900000000 ] - [ 0.0001648400000000, -0.0038963400000000, 0.0007824000000000 ] - [ -0.0002862500000000, -0.0012127300000000, -0.0003626300000000 ] - [ 0.0000007400000000, 0.0003166200000000, 0.0000783300000000 ] - [ 0.0000922500000000, -0.0001507900000000, -0.0000489500000000 ] - [ -0.0000276300000000, -0.0007768300000000, 0.0001268500000000 ] - [ 0.0002925600000000, -0.0003452900000000, -0.0009514900000000 ] - [ -0.0009451200000000, -0.0004184000000000, -0.0008019400000000 ] - [ -0.0002350300000000, -0.0003265100000000, 0.0005985900000000 ] - [ 0.0010678900000000, -0.0029108900000000, 0.0016920600000000 ] - [ 0.0001807000000000, -0.0014716000000000, -0.0001082500000000 ] - [ 0.0006505400000000, -0.0005138600000000, -0.0002569400000000 ] - [ -0.0015276200000000, 0.0005896600000000, -0.0046931300000000 ] - [ -0.0000532900000000, 0.0001391200000000, -0.0002444300000000 ] - [ 0.0026829100000000, 0.0031696100000000, -0.0004756100000000 ] - [ -0.0001863300000000, 0.0001286000000000, 0.0004796500000000 ] - [ 0.0003790600000000, -0.0018106900000000, 0.0006710000000000 ] - [ -0.0000309900000000, -0.0001982500000000, 0.0001607700000000 ]- atom: 17 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002543500000000, -0.0001550700000000, -0.0005812400000000 ] - [ -0.0002742600000000, -0.0005484900000000, 0.0000387000000000 ] - [ -0.0003220000000000, -0.0011434200000000, 0.0001691800000000 ] - [ 0.0020347700000000, -0.0022520200000000, -0.0006231600000000 ] - [ -0.0002881100000000, 0.0005071000000000, 0.0000453700000000 ] - [ 0.0003523400000000, 0.0013937000000000, 0.0000881900000000 ] - [ 0.0013338600000000, -0.0001345300000000, -0.0009107800000000 ] - [ -0.0025307900000000, -0.0015808200000000, 0.0015295700000000 ] - [ 0.0005976500000000, -0.0005308100000000, 0.0007158800000000 ] - [ -0.0079188000000000, -0.0052039600000000, -0.0009571000000000 ] - [ -0.0016899600000000, 0.0018401400000000, 0.0006720200000000 ] - [ 0.0005453900000000, 0.0005737100000000, 0.0011821700000000 ] - [ -0.0047652400000000, 0.0002990600000000, -0.0036498500000000 ] - [ 0.0090704700000000, 0.0000699200000000, 0.0038784100000000 ] - [ 0.0013042000000000, -0.0010585900000000, 0.0000129900000000 ] - [ -0.0009713000000000, -0.0007097400000000, -0.0008415200000000 ] - [ -0.0832093900000000, 0.1714120200000000, 0.0590154600000000 ] - [ 0.0000072600000000, 0.0035270200000000, -0.0013492100000000 ] - [ -0.0000092600000000, 0.0014687400000000, 0.0015598300000000 ] - [ 0.0032138100000000, 0.0038482600000000, -0.0041182200000000 ] - [ -0.0003169700000000, -0.0005863400000000, 0.0000344600000000 ] - [ -0.0005153800000000, -0.0021059800000000, -0.0003574900000000 ] - [ -0.0003112700000000, -0.0007921200000000, -0.0003691300000000 ] - [ 0.0003416700000000, 0.0008267200000000, 0.0000296700000000 ] - [ -0.0025736100000000, -0.0241723200000000, -0.0132088400000000 ] - [ -0.0000174300000000, -0.0005008200000000, 0.0000582700000000 ] - [ -0.0044089600000000, 0.0018761700000000, 0.0054216900000000 ] - [ 0.0001630900000000, 0.0008460000000000, -0.0000925100000000 ] - [ -0.0005935000000000, -0.0025318200000000, 0.0000491500000000 ] - [ 0.0011213600000000, 0.0000013000000000, -0.0007123200000000 ] - [ 0.0001073300000000, -0.0011907500000000, -0.0000208100000000 ] - [ -0.0000483800000000, -0.0003474000000000, -0.0002517700000000 ] - [ -0.0004588500000000, 0.0006080500000000, 0.0005730200000000 ] - [ 0.0004929000000000, -0.0011343400000000, -0.0004261100000000 ] - [ 0.0021129100000000, -0.0061042800000000, -0.0060291600000000 ] - [ 0.0001612100000000, 0.0010189600000000, 0.0000095000000000 ] - [ 0.0002299500000000, -0.0010774900000000, -0.0003139700000000 ] - [ -0.0007136700000000, -0.0001309700000000, 0.0005544300000000 ] - [ -0.0007295200000000, 0.0003614300000000, 0.0074449700000000 ] - [ -0.0002118200000000, -0.0005920900000000, -0.0003288200000000 ] - [ 0.0001256100000000, 0.0011890000000000, -0.0001301400000000 ] - [ -0.0010355100000000, -0.0039718200000000, -0.0019791400000000 ] - [ -0.0003749600000000, -0.0001084500000000, -0.0016963000000000 ] - [ 0.0002728700000000, -0.0013150200000000, 0.0002231500000000 ] - [ -0.0004920700000000, -0.0010893900000000, 0.0004135700000000 ] - [ -0.0003600200000000, -0.0022927300000000, 0.0026975300000000 ] - [ 0.0005015900000000, 0.0007623600000000, 0.0006229800000000 ] - [ 0.0000270300000000, -0.0014807800000000, 0.0002207800000000 ] - [ 0.0013418900000000, -0.0013301900000000, -0.0009570000000000 ] - [ -0.0002278100000000, -0.0001461300000000, -0.0000763200000000 ] - [ -0.0003866500000000, 0.0013157200000000, -0.0009726800000000 ] - [ 0.0003192600000000, 0.0003871300000000, -0.0005512500000000 ] - [ -0.0005425500000000, -0.0001607300000000, 0.0002456200000000 ] - [ 0.0000294800000000, -0.0012487000000000, -0.0002739200000000 ] - [ 0.0007168600000000, -0.0002414800000000, 0.0000314900000000 ] - [ -0.0002125100000000, -0.0001005000000000, 0.0002622700000000 ] - [ 0.0004946400000000, -0.0003568700000000, 0.0009413900000000 ] - [ -0.0002350600000000, 0.0001608800000000, -0.0001930300000000 ] - [ 0.0000335400000000, -0.0005145400000000, -0.0001830300000000 ] - [ -0.0001515500000000, -0.0009754400000000, 0.0002083800000000 ] - [ -0.0003492100000000, -0.0005163600000000, 0.0000660000000000 ] - [ 0.0002909400000000, -0.0005835900000000, 0.0002816400000000 ] - [ -0.0000761600000000, 0.0001260600000000, 0.0001104200000000 ] - [ -0.0004032500000000, 0.0000005400000000, -0.0004211000000000 ] - [ 0.0004781300000000, -0.0003156800000000, -0.0001507700000000 ] - [ -0.0001067900000000, -0.0001808400000000, -0.0000809300000000 ] - [ 0.0001082400000000, -0.0007022600000000, 0.0000363300000000 ] - [ 0.0002986200000000, -0.0002069400000000, -0.0002035300000000 ] - [ -0.0005365500000000, 0.0004701800000000, -0.0002925800000000 ] - [ 0.0003113900000000, 0.0000153200000000, -0.0001092600000000 ] - [ 0.0005180800000000, 0.0013876800000000, 0.0005996800000000 ] - [ 0.0003480800000000, -0.0006064100000000, -0.0000527000000000 ] - [ 0.0000250800000000, 0.0000395600000000, 0.0000181000000000 ] - [ -0.0005599000000000, 0.0015517000000000, -0.0004084800000000 ] - [ 0.0001972600000000, -0.0004062800000000, 0.0002211400000000 ] - [ -0.0000968900000000, -0.0012077600000000, 0.0000976300000000 ] - [ 0.0001154800000000, 0.0002060400000000, -0.0001849300000000 ] - [ 0.0009241000000000, -0.0017276600000000, -0.0008132500000000 ] - [ -0.0000213100000000, 0.0004651300000000, -0.0001064800000000 ] - [ 0.0006615500000000, 0.0005139100000000, -0.0000109700000000 ] - [ -0.0003988900000000, -0.0007724300000000, 0.0000355700000000 ] - [ 0.0005076800000000, 0.0002099100000000, 0.0001382300000000 ] - [ -0.0000884800000000, 0.0002006000000000, 0.0001755000000000 ] - [ 0.0003543000000000, -0.0007731800000000, 0.0006897300000000 ] - [ 0.0002858100000000, 0.0008702700000000, -0.0002992000000000 ] - [ -0.0003940000000000, 0.0003342900000000, -0.0001102000000000 ] - [ 0.0003191300000000, -0.0006557800000000, -0.0002994700000000 ] - [ 0.0121974500000000, -0.0035067100000000, 0.0015946500000000 ] - [ 0.0000542900000000, -0.0003783600000000, -0.0001271800000000 ] - [ -0.0003456600000000, 0.0005193500000000, 0.0000813100000000 ] - [ 0.0004418800000000, -0.0002159100000000, -0.0001069400000000 ] - [ 0.0000646000000000, 0.0002177000000000, -0.0004195700000000 ] - [ -0.0003488000000000, 0.0002470800000000, 0.0007929900000000 ] - [ 0.0002608500000000, -0.0001734300000000, -0.0000345900000000 ] - [ 0.0000581000000000, -0.0004164800000000, 0.0002465000000000 ] - [ -0.0003337600000000, 0.0002320100000000, 0.0001248100000000 ] - [ 0.0756990600000000, -0.1024408000000000, -0.0501516100000000 ] - [ -0.0021049500000000, -0.0049895300000000, -0.0010575600000000 ] - [ 0.0017636000000000, 0.0002491500000000, -0.0041407200000000 ] - [ -0.0001442300000000, 0.0010773400000000, 0.0006229200000000 ] - [ -0.0006853800000000, 0.0026089800000000, -0.0008309400000000 ] - [ 0.0024055800000000, 0.0036886300000000, 0.0023955100000000 ] - [ -0.0012190300000000, 0.0032083100000000, 0.0008969900000000 ] - [ 0.0004188200000000, -0.0008650500000000, -0.0007691500000000 ] - [ 0.0012949300000000, 0.0010252100000000, -0.0012283600000000 ] - [ -0.0018563300000000, 0.0016036300000000, 0.0017614600000000 ] - [ 0.0055257700000000, -0.0008225600000000, 0.0024816400000000 ] - [ -0.0020567400000000, 0.0019347600000000, -0.0030897900000000 ] - [ 0.0019299000000000, -0.0021912100000000, -0.0006368300000000 ] - [ 0.0029369500000000, 0.0116098500000000, -0.0051706100000000 ] - [ -0.0001723500000000, -0.0004839100000000, 0.0008278400000000 ] - [ -0.0008110600000000, -0.0008759900000000, 0.0032779800000000 ] - [ 0.0004052800000000, 0.0006555400000000, 0.0009288700000000 ] - [ -0.0004274200000000, 0.0015089500000000, 0.0004818400000000 ] - [ 0.0002740500000000, -0.0002777800000000, 0.0005880900000000 ] - [ -0.0007976300000000, -0.0015450900000000, 0.0007422800000000 ] - [ -0.0006387700000000, -0.0008699100000000, -0.0005125900000000 ] - [ -0.0003159400000000, -0.0005671800000000, -0.0002403800000000 ] - [ -0.0005667500000000, -0.0005830100000000, -0.0008313900000000 ] - [ 0.0006984200000000, 0.0011788600000000, -0.0004869200000000 ] - [ 0.0008621700000000, -0.0006495800000000, -0.0000691400000000 ] - [ -0.0007094300000000, -0.0002932100000000, 0.0007321600000000 ] - [ 0.0003039800000000, 0.0004493400000000, 0.0004038700000000 ] - [ 0.0001567600000000, 0.0006253500000000, -0.0005852800000000 ] - [ -0.0001015400000000, 0.0016509100000000, -0.0000807900000000 ] - [ -0.0001144100000000, -0.0002202400000000, 0.0001144200000000 ] - [ -0.0009200400000000, 0.0008380100000000, -0.0001702400000000 ] - [ -0.0009013900000000, 0.0015774500000000, -0.0000018300000000 ] - [ 0.0004580400000000, -0.0008497700000000, 0.0000771800000000 ] - [ 0.0000671100000000, 0.0002914300000000, 0.0001203100000000 ] - [ 0.0045145000000000, -0.0265588700000000, 0.0074963200000000 ] - [ -0.0004726100000000, -0.0027986700000000, -0.0024503500000000 ] - [ -0.0023633400000000, -0.0000284100000000, 0.0004592700000000 ] - [ 0.0006205100000000, 0.0001277000000000, 0.0007519700000000 ] - [ 0.0022055700000000, -0.0011307600000000, -0.0015381600000000 ] - [ -0.0001895400000000, -0.0001699700000000, 0.0001711300000000 ] - [ -0.0000596200000000, -0.0012255900000000, -0.0002613700000000 ] - [ 0.0006847200000000, -0.0040671200000000, 0.0019960300000000 ] - [ -0.0002068300000000, 0.0002948200000000, -0.0000297100000000 ] - [ -0.0075472800000000, -0.0110503600000000, -0.0046368000000000 ] - [ -0.0000246700000000, 0.0011253100000000, 0.0006590800000000 ] - [ -0.0009114600000000, 0.0017203300000000, -0.0008466400000000 ] - [ 0.0001191400000000, -0.0006838700000000, 0.0002026600000000 ] - [ -0.0001491100000000, 0.0027803900000000, -0.0004170700000000 ] - [ 0.0002841500000000, 0.0012120300000000, 0.0003603300000000 ] - [ -0.0000028100000000, -0.0003154600000000, -0.0000771000000000 ] - [ -0.0000923200000000, 0.0001504400000000, 0.0000483400000000 ] - [ 0.0000279100000000, 0.0007785700000000, -0.0001270000000000 ] - [ -0.0002941000000000, 0.0003437100000000, 0.0000355500000000 ] - [ 0.0009495600000000, 0.0004168700000000, -0.0001142000000000 ] - [ 0.0002351900000000, 0.0003246800000000, 0.0003186400000000 ] - [ -0.0010718300000000, 0.0029068800000000, -0.0007750800000000 ] - [ -0.0001702000000000, 0.0003599000000000, -0.0002521400000000 ] - [ 0.0004626100000000, 0.0005237800000000, -0.0001044900000000 ] - [ 0.0004208600000000, -0.0006143100000000, 0.0043599400000000 ] - [ 0.0000423800000000, 0.0009749200000000, -0.0001179000000000 ] - [ -0.0026881200000000, -0.0020587900000000, 0.0008475300000000 ] - [ -0.0009281800000000, -0.0001393900000000, -0.0001181900000000 ] - [ 0.0007360400000000, 0.0018220400000000, -0.0003136700000000 ] - [ 0.0000404000000000, -0.0009154600000000, 0.0002005100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000969900000000, -0.0000940200000000, 0.0004208700000000 ] - [ -0.0001408600000000, -0.0006282900000000, 0.0000692400000000 ] - [ -0.0003354900000000, 0.0000652300000000, -0.0007280600000000 ] - [ -0.0012048100000000, 0.0013876000000000, -0.0010547000000000 ] - [ 0.0003214000000000, 0.0001785800000000, 0.0016005200000000 ] - [ -0.0012855500000000, 0.0007227500000000, 0.0009936300000000 ] - [ -0.0004251700000000, 0.0017666600000000, 0.0009261900000000 ] - [ 0.0009856100000000, -0.0000275600000000, -0.0011606800000000 ] - [ 0.0005569300000000, -0.0001178200000000, 0.0000214600000000 ] - [ -0.0005902900000000, 0.0002986700000000, -0.0021338200000000 ] - [ 0.0004956000000000, -0.0005015900000000, -0.0019101400000000 ] - [ 0.0000973600000000, -0.0003447000000000, 0.0000147800000000 ] - [ 0.0079892500000000, 0.0042433200000000, 0.0034211400000000 ] - [ 0.0026462600000000, -0.0021361800000000, -0.0006435400000000 ] - [ 0.0004300700000000, -0.0002512400000000, -0.0003055800000000 ] - [ 0.0012781200000000, 0.0017609500000000, -0.0003893200000000 ] - [ 0.0465712100000000, -0.0567679100000000, -0.0895165000000000 ] - [ 0.0015978800000000, 0.0004583700000000, 0.0040603200000000 ] - [ 0.0013236300000000, -0.0047899900000000, 0.0041038500000000 ] - [ -0.0117842500000000, 0.0034745500000000, 0.0108971300000000 ] - [ -0.0003146700000000, 0.0000862500000000, -0.0004343500000000 ] - [ 0.0005485300000000, 0.0004551500000000, -0.0001440400000000 ] - [ 0.0001618000000000, 0.0006919000000000, 0.0005116600000000 ] - [ 0.0001305800000000, -0.0000227700000000, -0.0004391100000000 ] - [ 0.0015804600000000, 0.0168381500000000, -0.0002308300000000 ] - [ -0.0003133200000000, 0.0000893400000000, -0.0000330300000000 ] - [ -0.0089662800000000, -0.0058530800000000, 0.0041996100000000 ] - [ -0.0003562700000000, -0.0000617100000000, 0.0017589600000000 ] - [ -0.0000876600000000, -0.0002035300000000, -0.0008159300000000 ] - [ -0.0022401800000000, 0.0013243700000000, 0.0005397500000000 ] - [ -0.0004277500000000, 0.0000784700000000, -0.0000664000000000 ] - [ -0.0000936600000000, 0.0001164600000000, 0.0007299100000000 ] - [ 0.0000628600000000, -0.0003733900000000, -0.0004786700000000 ] - [ 0.0002422100000000, -0.0000538400000000, 0.0010633300000000 ] - [ -0.0020319300000000, 0.0059684400000000, 0.0010153200000000 ] - [ 0.0010566300000000, -0.0000094200000000, 0.0016644400000000 ] - [ 0.0003203900000000, 0.0004926700000000, -0.0008726100000000 ] - [ -0.0006000000000000, -0.0011979800000000, 0.0002585900000000 ] - [ 0.0001373500000000, -0.0030001700000000, 0.0033717400000000 ] - [ -0.0002685200000000, -0.0002923000000000, -0.0000412600000000 ] - [ -0.0008574500000000, 0.0002671600000000, -0.0012344900000000 ] - [ 0.0002836300000000, 0.0021820800000000, 0.0011554700000000 ] - [ 0.0002141800000000, 0.0005351400000000, 0.0015133000000000 ] - [ -0.0003484600000000, 0.0002556400000000, -0.0005634300000000 ] - [ -0.0003094000000000, -0.0002081400000000, -0.0005088400000000 ] - [ 0.0003183200000000, -0.0019784200000000, -0.0030393300000000 ] - [ 0.0002818400000000, -0.0006059600000000, 0.0021691200000000 ] - [ -0.0002631000000000, -0.0001657000000000, -0.0005645700000000 ] - [ -0.0003854000000000, -0.0003124400000000, -0.0010267900000000 ] - [ -0.0008023800000000, -0.0013074600000000, -0.0008209200000000 ] - [ -0.0006731900000000, -0.0014445800000000, 0.0014789000000000 ] - [ -0.0002529700000000, 0.0002603300000000, 0.0001640600000000 ] - [ 0.0000984100000000, 0.0002264900000000, -0.0000502200000000 ] - [ -0.0004537000000000, 0.0005517600000000, 0.0005102000000000 ] - [ -0.0000647400000000, 0.0003730900000000, 0.0004634500000000 ] - [ -0.0002801200000000, -0.0003729900000000, 0.0010992100000000 ] - [ 0.0005116500000000, -0.0002580900000000, -0.0000524900000000 ] - [ -0.0000997700000000, 0.0001483000000000, 0.0003903500000000 ] - [ 0.0000218000000000, -0.0001346100000000, 0.0004358800000000 ] - [ -0.0000035400000000, -0.0001945900000000, -0.0000657400000000 ] - [ -0.0000754300000000, 0.0000656500000000, 0.0002616400000000 ] - [ 0.0003085500000000, -0.0003017100000000, 0.0004129100000000 ] - [ 0.0001749800000000, -0.0002884900000000, 0.0009426200000000 ] - [ 0.0006997000000000, 0.0006663000000000, 0.0006869900000000 ] - [ 0.0003040900000000, 0.0000989700000000, 0.0001754300000000 ] - [ 0.0000886500000000, 0.0005174200000000, -0.0000513500000000 ] - [ 0.0000274400000000, -0.0004143000000000, -0.0000512300000000 ] - [ -0.0000617300000000, 0.0002209300000000, 0.0001839400000000 ] - [ -0.0002199900000000, -0.0002421000000000, 0.0012204700000000 ] - [ -0.0004215000000000, -0.0004087900000000, 0.0005113200000000 ] - [ 0.0004093500000000, 0.0002434800000000, -0.0001453200000000 ] - [ 0.0004726200000000, -0.0001052000000000, 0.0005187700000000 ] - [ -0.0000006400000000, 0.0002953000000000, 0.0003488100000000 ] - [ -0.0003195100000000, 0.0002593000000000, 0.0020691600000000 ] - [ 0.0000631300000000, -0.0000442800000000, 0.0002578700000000 ] - [ -0.0000054400000000, -0.0001133500000000, -0.0001054700000000 ] - [ -0.0000145400000000, -0.0002727000000000, 0.0004159700000000 ] - [ -0.0002243500000000, 0.0007826500000000, 0.0003149200000000 ] - [ -0.0004799100000000, -0.0000301900000000, -0.0000024600000000 ] - [ 0.0000216500000000, 0.0001380900000000, -0.0005647500000000 ] - [ -0.0002981700000000, -0.0000950400000000, 0.0008875300000000 ] - [ 0.0002794800000000, -0.0001982800000000, 0.0000885800000000 ] - [ -0.0004690300000000, 0.0006437000000000, 0.0007336400000000 ] - [ 0.0004078400000000, 0.0004459700000000, 0.0000059500000000 ] - [ 0.0001731200000000, 0.0003938100000000, 0.0007679300000000 ] - [ -0.0004996800000000, 0.0001250100000000, -0.0004512500000000 ] - [ 0.0002234900000000, -0.0003896900000000, -0.0002918000000000 ] - [ 0.0021182500000000, -0.0022939400000000, -0.0049202500000000 ] - [ 0.0002257800000000, 0.0001814300000000, 0.0007262900000000 ] - [ 0.0000625200000000, 0.0002272100000000, 0.0004757000000000 ] - [ 0.0000194900000000, 0.0001861400000000, -0.0001633300000000 ] - [ -0.0005974000000000, -0.0002073000000000, 0.0014310700000000 ] - [ -0.0004577600000000, -0.0002617900000000, 0.0017078700000000 ] - [ 0.0001288100000000, -0.0001018600000000, 0.0002304500000000 ] - [ -0.0001828100000000, 0.0002052300000000, -0.0004809300000000 ] - [ -0.0003202700000000, -0.0000726500000000, 0.0004618800000000 ] - [ -0.0442918800000000, 0.0496878100000000, 0.0538097600000000 ] - [ -0.0005714100000000, 0.0018506500000000, -0.0040234500000000 ] - [ 0.0009273200000000, 0.0062256000000000, 0.0002937000000000 ] - [ -0.0004780100000000, -0.0003337600000000, 0.0012632000000000 ] - [ -0.0008301700000000, -0.0006310600000000, 0.0001944600000000 ] - [ -0.0008526000000000, -0.0033499400000000, -0.0024586800000000 ] - [ 0.0001745500000000, -0.0001968500000000, -0.0017117000000000 ] - [ 0.0005816600000000, 0.0006394200000000, 0.0006153400000000 ] - [ -0.0002983400000000, 0.0005677900000000, 0.0015409200000000 ] - [ 0.0013572100000000, -0.0010643200000000, 0.0005857600000000 ] - [ -0.0024517300000000, -0.0032743300000000, 0.0044758400000000 ] - [ -0.0009436000000000, 0.0007036500000000, -0.0005493900000000 ] - [ 0.0043874500000000, -0.0007119100000000, -0.0009989000000000 ] - [ -0.0012224100000000, -0.0054184200000000, 0.0060659500000000 ] - [ 0.0001191200000000, -0.0001381900000000, -0.0030249500000000 ] - [ 0.0023761900000000, -0.0025430500000000, -0.0073947000000000 ] - [ 0.0006372500000000, 0.0002792200000000, 0.0003192800000000 ] - [ -0.0002495000000000, 0.0005013700000000, 0.0010323400000000 ] - [ 0.0004518300000000, -0.0004640700000000, 0.0004947800000000 ] - [ -0.0002759900000000, -0.0002038400000000, -0.0013579500000000 ] - [ -0.0008585400000000, 0.0001204700000000, -0.0021939300000000 ] - [ 0.0010654700000000, -0.0015351700000000, -0.0012352100000000 ] - [ -0.0003818600000000, 0.0003781300000000, -0.0007738000000000 ] - [ 0.0005435600000000, 0.0001685100000000, -0.0016535200000000 ] - [ -0.0002088000000000, 0.0007701400000000, -0.0019147500000000 ] - [ 0.0006374300000000, -0.0007056300000000, -0.0011755700000000 ] - [ -0.0002233200000000, -0.0003495800000000, -0.0009346800000000 ] - [ -0.0003689700000000, 0.0004903300000000, -0.0004739300000000 ] - [ 0.0003010900000000, 0.0001603600000000, -0.0002045500000000 ] - [ 0.0003007800000000, -0.0001506400000000, -0.0008009800000000 ] - [ 0.0002023300000000, -0.0001591100000000, 0.0006906700000000 ] - [ 0.0005868600000000, -0.0004201800000000, 0.0001861200000000 ] - [ -0.0012734800000000, -0.0002126400000000, -0.0005086300000000 ] - [ -0.0000101600000000, 0.0002410900000000, -0.0010317200000000 ] - [ 0.0010853200000000, -0.0089288600000000, 0.0058761500000000 ] - [ -0.0030010800000000, 0.0015039000000000, -0.0006279500000000 ] - [ 0.0010273300000000, -0.0000637000000000, 0.0009509900000000 ] - [ -0.0007927900000000, -0.0009076600000000, -0.0024257200000000 ] - [ 0.0014969200000000, 0.0021046400000000, 0.0011903800000000 ] - [ -0.0002304400000000, 0.0001231100000000, -0.0002159700000000 ] - [ -0.0003645000000000, -0.0007575700000000, -0.0027776200000000 ] - [ 0.0007443400000000, -0.0004052300000000, 0.0041868300000000 ] - [ -0.0008534400000000, -0.0001732200000000, -0.0001526600000000 ] - [ 0.0068357300000000, 0.0053380900000000, 0.0077343600000000 ] - [ -0.0000107000000000, 0.0004640000000000, -0.0004511700000000 ] - [ -0.0010870100000000, 0.0011580000000000, -0.0002684400000000 ] - [ 0.0009105400000000, 0.0003049100000000, -0.0000024000000000 ] - [ -0.0000130300000000, -0.0008653700000000, 0.0008509400000000 ] - [ -0.0001459000000000, -0.0004095500000000, 0.0000379100000000 ] - [ -0.0001415300000000, -0.0000171700000000, 0.0004867300000000 ] - [ -0.0000035700000000, -0.0000349500000000, -0.0003877400000000 ] - [ -0.0001843300000000, 0.0000570400000000, -0.0001112200000000 ] - [ 0.0000960600000000, -0.0002421600000000, -0.0013934800000000 ] - [ -0.0004503200000000, -0.0002383600000000, -0.0002467100000000 ] - [ 0.0003794600000000, 0.0003429600000000, -0.0000090200000000 ] - [ -0.0000484300000000, 0.0003735900000000, 0.0012390700000000 ] - [ 0.0000087100000000, -0.0004712700000000, 0.0001607800000000 ] - [ 0.0006379700000000, -0.0001153900000000, -0.0002433000000000 ] - [ -0.0009905400000000, -0.0011703800000000, -0.0026572400000000 ] - [ -0.0000485300000000, 0.0005820100000000, -0.0005405400000000 ] - [ 0.0007420500000000, 0.0002812000000000, 0.0021718000000000 ] - [ -0.0005544200000000, 0.0001518900000000, 0.0002371600000000 ] - [ 0.0004544600000000, 0.0001748200000000, 0.0003873800000000 ] - [ 0.0001754400000000, -0.0005234800000000, -0.0004529900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000189800000000, -0.0003654200000000, -0.0011331000000000 ] - [ 0.0006025400000000, 0.0005503300000000, -0.0007842900000000 ] - [ -0.0001252000000000, 0.0000118400000000, 0.0000132300000000 ] - [ 0.0012818300000000, -0.0009219300000000, 0.0003424700000000 ] - [ -0.0002424800000000, 0.0002826800000000, -0.0008840900000000 ] - [ 0.0008207400000000, -0.0006427900000000, -0.0002769000000000 ] - [ 0.0008828500000000, -0.0018499100000000, -0.0002083400000000 ] - [ -0.0010583600000000, -0.0004298800000000, 0.0018705800000000 ] - [ -0.0001741500000000, 0.0003446300000000, -0.0001932900000000 ] - [ 0.0003509100000000, 0.0000759200000000, 0.0019523300000000 ] - [ -0.0002689500000000, 0.0001156200000000, 0.0017317400000000 ] - [ -0.0004807100000000, 0.0001189200000000, -0.0001867900000000 ] - [ -0.0082762000000000, -0.0044286800000000, -0.0032208900000000 ] - [ -0.0024033000000000, 0.0017390100000000, 0.0008349100000000 ] - [ -0.0006518100000000, 0.0006307500000000, 0.0004808300000000 ] - [ -0.0008898100000000, -0.0015246000000000, 0.0005632200000000 ] - [ -0.0467895300000000, 0.0579046500000000, 0.0881511100000000 ] - [ -0.0016720900000000, 0.0002401600000000, -0.0042406200000000 ] - [ -0.0012603400000000, 0.0040154300000000, -0.0041995400000000 ] - [ 0.0122216200000000, -0.0031452500000000, -0.0112229700000000 ] - [ -0.0003994400000000, -0.0001289400000000, 0.0002860800000000 ] - [ -0.0005025700000000, -0.0011662800000000, 0.0002905000000000 ] - [ -0.0002044800000000, 0.0000235800000000, -0.0003624300000000 ] - [ 0.0005854800000000, 0.0000640700000000, 0.0005882800000000 ] - [ -0.0015680600000000, -0.0164911400000000, 0.0004771600000000 ] - [ -0.0001377500000000, -0.0000551600000000, 0.0002305200000000 ] - [ 0.0093169200000000, 0.0057439100000000, -0.0039964100000000 ] - [ 0.0003229300000000, -0.0003861400000000, -0.0015700200000000 ] - [ 0.0000538200000000, -0.0002441300000000, 0.0006142700000000 ] - [ 0.0027002000000000, -0.0013632500000000, -0.0007355700000000 ] - [ -0.0000253800000000, -0.0000416700000000, -0.0001282900000000 ] - [ 0.0001280200000000, 0.0003358200000000, -0.0009273700000000 ] - [ -0.0007062600000000, -0.0002312700000000, 0.0012345000000000 ] - [ 0.0003622400000000, -0.0005855500000000, -0.0003066900000000 ] - [ 0.0014022200000000, -0.0052712800000000, -0.0002672000000000 ] - [ -0.0004127200000000, 0.0006122700000000, -0.0009087200000000 ] - [ 0.0003181500000000, 0.0001132000000000, 0.0001188200000000 ] - [ -0.0000079500000000, 0.0018309200000000, -0.0010103400000000 ] - [ 0.0004682600000000, 0.0023956200000000, -0.0041438100000000 ] - [ -0.0003713200000000, -0.0003126300000000, -0.0007099800000000 ] - [ 0.0011310000000000, 0.0000827700000000, 0.0014751800000000 ] - [ -0.0006310300000000, -0.0019008300000000, -0.0009028800000000 ] - [ 0.0001345400000000, -0.0008084300000000, -0.0012602200000000 ] - [ 0.0000721600000000, -0.0006019900000000, 0.0008105600000000 ] - [ 0.0000353600000000, -0.0001411600000000, 0.0002632700000000 ] - [ 0.0000345800000000, 0.0016972100000000, 0.0027760500000000 ] - [ -0.0006322000000000, 0.0008815800000000, -0.0024209000000000 ] - [ -0.0004531700000000, 0.0001240600000000, 0.0007137500000000 ] - [ 0.0003026700000000, -0.0001416000000000, 0.0003206100000000 ] - [ 0.0012570600000000, 0.0012241700000000, 0.0001046200000000 ] - [ 0.0002136500000000, 0.0015273000000000, -0.0021968700000000 ] - [ 0.0003305400000000, 0.0002001000000000, -0.0008775400000000 ] - [ -0.0000211100000000, 0.0002337000000000, 0.0007622000000000 ] - [ -0.0000056100000000, -0.0004710900000000, 0.0002070200000000 ] - [ 0.0005241700000000, -0.0004486100000000, 0.0002496100000000 ] - [ 0.0002010500000000, -0.0000871500000000, -0.0003835600000000 ] - [ -0.0001269600000000, 0.0004869300000000, -0.0001311400000000 ] - [ -0.0001281600000000, 0.0002345300000000, -0.0005655900000000 ] - [ 0.0002048200000000, -0.0002493500000000, -0.0006104100000000 ] - [ -0.0003780100000000, -0.0000314500000000, -0.0001120100000000 ] - [ -0.0003089500000000, -0.0002939700000000, -0.0000840900000000 ] - [ -0.0000800800000000, -0.0000817700000000, -0.0002373700000000 ] - [ -0.0003990500000000, 0.0006684600000000, -0.0007642100000000 ] - [ -0.0003159700000000, -0.0004414200000000, -0.0005089600000000 ] - [ 0.0004102600000000, -0.0000564500000000, -0.0003219900000000 ] - [ -0.0001313400000000, 0.0001978500000000, -0.0000961100000000 ] - [ 0.0000151700000000, -0.0003000100000000, -0.0000952300000000 ] - [ 0.0003362500000000, 0.0001277300000000, -0.0004333700000000 ] - [ -0.0004958100000000, 0.0001990400000000, -0.0013666800000000 ] - [ 0.0004647900000000, -0.0003056900000000, -0.0003630600000000 ] - [ -0.0004547900000000, 0.0004669900000000, 0.0002886400000000 ] - [ 0.0002429300000000, 0.0001478800000000, -0.0003700500000000 ] - [ 0.0000349300000000, 0.0001579600000000, -0.0001515500000000 ] - [ -0.0001304200000000, -0.0002275600000000, -0.0018728800000000 ] - [ 0.0003903500000000, 0.0000103800000000, -0.0000595500000000 ] - [ -0.0000295300000000, -0.0003364300000000, 0.0003040400000000 ] - [ -0.0000197500000000, -0.0001811100000000, -0.0006125300000000 ] - [ 0.0006726500000000, -0.0008122500000000, -0.0005113300000000 ] - [ 0.0000262400000000, 0.0000641800000000, -0.0001964200000000 ] - [ 0.0000094600000000, 0.0003134400000000, 0.0003661100000000 ] - [ -0.0003413700000000, -0.0005080700000000, -0.0001333800000000 ] - [ 0.0003248400000000, -0.0004422400000000, 0.0006630000000000 ] - [ -0.0001357800000000, -0.0000052200000000, 0.0000198300000000 ] - [ 0.0002342900000000, 0.0001587800000000, 0.0007477900000000 ] - [ 0.0004653600000000, 0.0002106600000000, -0.0015220400000000 ] - [ -0.0001040100000000, 0.0005157300000000, -0.0003014600000000 ] - [ 0.0003810000000000, -0.0002495900000000, -0.0004603300000000 ] - [ -0.0028027300000000, 0.0017129400000000, 0.0041517900000000 ] - [ 0.0000484200000000, 0.0001692500000000, -0.0004776800000000 ] - [ -0.0004106300000000, 0.0000459700000000, -0.0002290000000000 ] - [ 0.0003293300000000, -0.0004615300000000, 0.0004148100000000 ] - [ 0.0003230600000000, -0.0001424400000000, -0.0011800800000000 ] - [ 0.0001834300000000, -0.0000881300000000, -0.0019520200000000 ] - [ 0.0002208400000000, -0.0001717000000000, -0.0004758800000000 ] - [ -0.0001692100000000, 0.0000711200000000, 0.0002299800000000 ] - [ -0.0003940800000000, 0.0000297000000000, -0.0003144000000000 ] - [ 0.0465163800000000, -0.0502662300000000, -0.0520742000000000 ] - [ 0.0000162300000000, -0.0007005200000000, 0.0055828300000000 ] - [ -0.0003551500000000, -0.0073627200000000, 0.0012497500000000 ] - [ -0.0006823300000000, -0.0002267900000000, 0.0002637300000000 ] - [ -0.0003308800000000, 0.0000710400000000, -0.0017208200000000 ] - [ 0.0014052100000000, 0.0021834200000000, 0.0009266100000000 ] - [ -0.0007291500000000, 0.0013531900000000, 0.0001784700000000 ] - [ 0.0005786800000000, -0.0000804700000000, -0.0021428500000000 ] - [ 0.0002938900000000, -0.0005652300000000, -0.0015325300000000 ] - [ -0.0013545200000000, 0.0010593400000000, -0.0005966300000000 ] - [ 0.0024575800000000, 0.0032675500000000, -0.0044515200000000 ] - [ 0.0009346400000000, -0.0006984700000000, 0.0005341200000000 ] - [ -0.0043804700000000, 0.0007120900000000, 0.0010012600000000 ] - [ 0.0012138500000000, 0.0053941300000000, -0.0060486600000000 ] - [ -0.0001184700000000, 0.0001384600000000, 0.0030227900000000 ] - [ -0.0023766800000000, 0.0025531900000000, 0.0073969400000000 ] - [ 0.0005230800000000, 0.0002781300000000, 0.0012102500000000 ] - [ -0.0003080800000000, 0.0006555500000000, 0.0004985900000000 ] - [ 0.0001052300000000, -0.0006988000000000, 0.0010308000000000 ] - [ -0.0008824700000000, -0.0003548300000000, 0.0028822700000000 ] - [ -0.0003037600000000, -0.0006780000000000, 0.0006662400000000 ] - [ -0.0005079000000000, 0.0003779300000000, -0.0002938100000000 ] - [ -0.0001746400000000, 0.0007851700000000, -0.0007506700000000 ] - [ 0.0006153700000000, 0.0003869100000000, 0.0001253400000000 ] - [ 0.0002063300000000, -0.0007702600000000, 0.0019142400000000 ] - [ -0.0006335100000000, 0.0007009200000000, 0.0011733200000000 ] - [ 0.0002241400000000, 0.0003496700000000, 0.0009330800000000 ] - [ 0.0003632800000000, -0.0004900500000000, 0.0004783600000000 ] - [ -0.0003022900000000, -0.0001635500000000, 0.0002011800000000 ] - [ -0.0003005800000000, 0.0001496000000000, 0.0007999600000000 ] - [ -0.0001965600000000, 0.0001566300000000, -0.0006889500000000 ] - [ -0.0005845300000000, 0.0004183300000000, -0.0001837700000000 ] - [ 0.0012791600000000, 0.0002138300000000, 0.0005060000000000 ] - [ 0.0000100200000000, -0.0002389800000000, 0.0010287700000000 ] - [ -0.0010868900000000, 0.0089240200000000, -0.0057505300000000 ] - [ 0.0029896900000000, -0.0014934700000000, 0.0006468000000000 ] - [ -0.0010220700000000, 0.0000634000000000, -0.0018598700000000 ] - [ 0.0007901000000000, 0.0009049700000000, 0.0015051500000000 ] - [ -0.0014989900000000, -0.0021096000000000, -0.0002787300000000 ] - [ 0.0002320900000000, -0.0001245300000000, 0.0011312500000000 ] - [ 0.0003726600000000, -0.0003568700000000, 0.0024093900000000 ] - [ 0.0002184900000000, 0.0006263400000000, -0.0037929200000000 ] - [ -0.0002611800000000, 0.0001620200000000, -0.0002081600000000 ] - [ -0.0069031900000000, -0.0042382200000000, -0.0080274700000000 ] - [ 0.0000009300000000, 0.0006486600000000, 0.0008115200000000 ] - [ -0.0000232500000000, -0.0011733600000000, 0.0006291500000000 ] - [ 0.0002017600000000, -0.0002948700000000, 0.0003635000000000 ] - [ 0.0000221900000000, -0.0002476000000000, -0.0004876800000000 ] - [ 0.0001451500000000, 0.0004071800000000, -0.0000361900000000 ] - [ 0.0001407400000000, 0.0000169700000000, -0.0004862700000000 ] - [ 0.0000038700000000, 0.0000352100000000, 0.0003881200000000 ] - [ 0.0001836800000000, -0.0000569700000000, 0.0001104000000000 ] - [ -0.0000960100000000, 0.0002425100000000, 0.0004743200000000 ] - [ 0.0004478600000000, 0.0002381500000000, -0.0006719300000000 ] - [ -0.0003777400000000, -0.0003415900000000, 0.0009262600000000 ] - [ 0.0000494000000000, -0.0003906900000000, -0.0003140000000000 ] - [ 0.0000016900000000, -0.0006415600000000, -0.0005216800000000 ] - [ 0.0004761200000000, 0.0001252100000000, -0.0001194800000000 ] - [ -0.0001269800000000, 0.0011693600000000, 0.0022833500000000 ] - [ 0.0000377000000000, 0.0005309900000000, 0.0001785000000000 ] - [ -0.0007402200000000, 0.0008440000000000, -0.0018218800000000 ] - [ -0.0005568500000000, -0.0001618100000000, 0.0001272100000000 ] - [ 0.0006578800000000, -0.0001649400000000, -0.0000227400000000 ] - [ -0.0001640200000000, -0.0005897000000000, 0.0008151000000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0003701200000000, -0.0003397800000000, -0.0002313200000000 ] - [ -0.0009921200000000, 0.0014488700000000, 0.0001300700000000 ] - [ 0.0000883000000000, 0.0003237200000000, -0.0005823300000000 ] - [ -0.0020133900000000, 0.0009030400000000, 0.0003468100000000 ] - [ -0.0019694500000000, 0.0001053100000000, -0.0005655200000000 ] - [ 0.0002908600000000, -0.0001680400000000, 0.0001118700000000 ] - [ -0.0034827100000000, -0.0030460200000000, 0.0006458600000000 ] - [ 0.0021237400000000, 0.0006792300000000, -0.0006696500000000 ] - [ 0.0010572900000000, 0.0000589100000000, 0.0000502600000000 ] - [ -0.0022758100000000, 0.0002032000000000, -0.0001933700000000 ] - [ -0.0000253200000000, 0.0049118900000000, 0.0057559400000000 ] - [ 0.0010696000000000, 0.0002172200000000, 0.0002291500000000 ] - [ -0.0019233500000000, -0.0008679100000000, 0.0000994300000000 ] - [ 0.0018203500000000, -0.0010709200000000, 0.0006152900000000 ] - [ 0.0009132400000000, 0.0000433500000000, 0.0000316600000000 ] - [ -0.0004024600000000, 0.0005461300000000, 0.0008274400000000 ] - [ 0.0093632400000000, -0.0030440800000000, -0.0119756200000000 ] - [ 0.0021119500000000, 0.0001452600000000, 0.0017493900000000 ] - [ -0.0006030800000000, -0.0000510300000000, -0.0008163100000000 ] - [ -0.0971231000000000, -0.0249921100000000, 0.0898707000000000 ] - [ -0.0002282100000000, 0.0003346600000000, 0.0000983900000000 ] - [ -0.0003630900000000, -0.0004781200000000, -0.0000160200000000 ] - [ 0.0000608500000000, 0.0005722000000000, 0.0003979900000000 ] - [ 0.0029635000000000, 0.0000360800000000, 0.0010715700000000 ] - [ 0.0060795800000000, 0.0119556000000000, -0.0039167100000000 ] - [ 0.0001564600000000, -0.0000253100000000, 0.0001263400000000 ] - [ 0.0016890200000000, 0.0007050700000000, -0.0013257100000000 ] - [ 0.0000248000000000, -0.0004458600000000, 0.0000434500000000 ] - [ -0.0000160400000000, 0.0000937700000000, -0.0002278400000000 ] - [ 0.0218754600000000, -0.0136430200000000, -0.0112831500000000 ] - [ -0.0010902900000000, 0.0002082300000000, 0.0001142600000000 ] - [ -0.0003751400000000, 0.0000458200000000, 0.0001210900000000 ] - [ 0.0013431000000000, -0.0004495100000000, 0.0003871000000000 ] - [ -0.0003780400000000, -0.0002205200000000, 0.0006390200000000 ] - [ -0.0001077200000000, -0.0008967600000000, -0.0003459500000000 ] - [ -0.0004088200000000, 0.0002858000000000, -0.0002324200000000 ] - [ -0.0001242900000000, 0.0004191000000000, -0.0002078500000000 ] - [ -0.0000904800000000, 0.0007740400000000, -0.0008951600000000 ] - [ 0.0023460100000000, -0.0074615700000000, 0.0024486800000000 ] - [ 0.0000619100000000, -0.0003241300000000, -0.0003399200000000 ] - [ 0.0013804800000000, 0.0001487000000000, 0.0006982800000000 ] - [ -0.0001496700000000, 0.0019407600000000, 0.0014732800000000 ] - [ -0.0001687400000000, -0.0001346800000000, -0.0003679300000000 ] - [ 0.0002288900000000, -0.0002350900000000, 0.0000044800000000 ] - [ -0.0003924100000000, 0.0001247100000000, 0.0000967500000000 ] - [ -0.0003183200000000, 0.0004247900000000, -0.0016900800000000 ] - [ 0.0001683700000000, -0.0004274900000000, 0.0014006100000000 ] - [ -0.0002408700000000, -0.0004290200000000, -0.0001337200000000 ] - [ -0.0009436700000000, -0.0012420400000000, 0.0004376300000000 ] - [ 0.0009233100000000, 0.0000704100000000, -0.0005047600000000 ] - [ 0.0000781500000000, 0.0093349900000000, -0.0129696400000000 ] - [ 0.0007384500000000, 0.0002725800000000, -0.0006706400000000 ] - [ 0.0013112700000000, 0.0001720100000000, 0.0009392600000000 ] - [ -0.0006209900000000, -0.0003435900000000, 0.0004797500000000 ] - [ 0.0005598100000000, -0.0000963000000000, 0.0002878700000000 ] - [ 0.0003816800000000, 0.0008316000000000, -0.0010889400000000 ] - [ -0.0001947300000000, 0.0001914400000000, -0.0003826100000000 ] - [ 0.0005029700000000, -0.0000270700000000, -0.0002427900000000 ] - [ 0.0004649100000000, -0.0001756400000000, -0.0001719500000000 ] - [ -0.0005577700000000, -0.0000092200000000, -0.0003245700000000 ] - [ 0.0004739800000000, -0.0000313300000000, -0.0000367300000000 ] - [ -0.0002811600000000, -0.0001396500000000, -0.0003336200000000 ] - [ -0.0006329400000000, 0.0003302700000000, -0.0000995100000000 ] - [ 0.0011333200000000, 0.0004547600000000, 0.0004774100000000 ] - [ 0.0006486900000000, -0.0001449300000000, -0.0002755800000000 ] - [ 0.0000173400000000, 0.0004411400000000, -0.0001095900000000 ] - [ 0.0005716300000000, -0.0000195200000000, -0.0000086300000000 ] - [ 0.0004625500000000, 0.0002270300000000, -0.0003410600000000 ] - [ 0.0001863100000000, 0.0001952000000000, 0.0002481300000000 ] - [ 0.0041298600000000, 0.0000278400000000, -0.0019763100000000 ] - [ -0.0000522200000000, 0.0001460500000000, 0.0007468800000000 ] - [ 0.0001208000000000, 0.0001016500000000, -0.0000135700000000 ] - [ 0.0003783800000000, 0.0004322400000000, -0.0000710700000000 ] - [ -0.0023461900000000, 0.0012733300000000, 0.0108985500000000 ] - [ 0.0001363600000000, 0.0002050900000000, 0.0000178500000000 ] - [ 0.0000051500000000, -0.0005302400000000, 0.0003423100000000 ] - [ 0.0003184400000000, -0.0001350700000000, -0.0009868800000000 ] - [ 0.0003639700000000, -0.0002059900000000, -0.0002867600000000 ] - [ 0.0003897300000000, -0.0001402500000000, -0.0001783800000000 ] - [ 0.0007081000000000, -0.0003046400000000, 0.0004646700000000 ] - [ -0.0007632100000000, -0.0001314800000000, 0.0003374700000000 ] - [ 0.0008124500000000, -0.0002669700000000, 0.0006443900000000 ] - [ -0.0000522100000000, -0.0017103600000000, -0.0009223800000000 ] - [ 0.0008241400000000, 0.0003701500000000, 0.0005064000000000 ] - [ 0.0011731900000000, 0.0002973300000000, -0.0004411700000000 ] - [ 0.0005143700000000, 0.0015965900000000, -0.0006407000000000 ] - [ 0.0004966200000000, -0.0003178400000000, -0.0004397200000000 ] - [ -0.0093931100000000, 0.0000242200000000, 0.0001685900000000 ] - [ -0.0002591600000000, 0.0002970800000000, -0.0000590600000000 ] - [ -0.0000400400000000, 0.0001336500000000, -0.0001380200000000 ] - [ 0.0015640600000000, -0.0019570000000000, 0.0012709200000000 ] - [ -0.0015363800000000, -0.0007628400000000, -0.0019083600000000 ] - [ 0.0003190200000000, -0.0001675200000000, -0.0004994500000000 ] - [ 0.0006625700000000, 0.0000475000000000, -0.0004664200000000 ] - [ -0.0001053300000000, -0.0000465700000000, 0.0001556300000000 ] - [ -0.0003272900000000, -0.0002224100000000, -0.0003864800000000 ] - [ 0.0511201700000000, 0.0266795800000000, -0.0427204100000000 ] - [ -0.0039316600000000, 0.0038106500000000, -0.0060699000000000 ] - [ 0.0001986400000000, -0.0014256000000000, 0.0022246900000000 ] - [ -0.0001388400000000, -0.0004533200000000, 0.0004094200000000 ] - [ -0.0012268400000000, -0.0003252500000000, -0.0006928100000000 ] - [ 0.0008048200000000, 0.0001640400000000, -0.0000716700000000 ] - [ 0.0006218600000000, -0.0000859900000000, -0.0017570200000000 ] - [ -0.0023798900000000, 0.0013305200000000, -0.0018153700000000 ] - [ -0.0015389500000000, -0.0005508900000000, 0.0004526800000000 ] - [ 0.0020094000000000, 0.0018427200000000, -0.0015556900000000 ] - [ 0.0042828800000000, -0.0005955700000000, -0.0019764300000000 ] - [ -0.0017209700000000, 0.0002728500000000, -0.0006409300000000 ] - [ -0.0019447900000000, 0.0004681300000000, 0.0004157700000000 ] - [ 0.0001908900000000, -0.0073054800000000, 0.0026573200000000 ] - [ 0.0010955200000000, 0.0003916900000000, -0.0004190300000000 ] - [ 0.0237172900000000, -0.0040144000000000, -0.0165737100000000 ] - [ -0.0000866700000000, 0.0001901800000000, 0.0009129000000000 ] - [ -0.0005496700000000, 0.0006437800000000, 0.0007037800000000 ] - [ -0.0004109100000000, -0.0017622000000000, 0.0012821100000000 ] - [ -0.0013132600000000, 0.0000041200000000, 0.0007646600000000 ] - [ -0.0003945600000000, -0.0000246200000000, 0.0009852700000000 ] - [ -0.0052253400000000, 0.0066037700000000, 0.0021968100000000 ] - [ -0.0009448000000000, 0.0007088100000000, -0.0009947600000000 ] - [ 0.0013502200000000, 0.0002954600000000, -0.0006547600000000 ] - [ 0.0038021500000000, -0.0041626200000000, 0.0030222500000000 ] - [ -0.0007540000000000, 0.0000903300000000, 0.0003568600000000 ] - [ -0.0009165300000000, -0.0001019700000000, -0.0001688600000000 ] - [ 0.0004607300000000, -0.0001913600000000, 0.0004314500000000 ] - [ 0.0008582900000000, -0.0006065600000000, -0.0001476500000000 ] - [ -0.0012577200000000, -0.0003304100000000, 0.0007986200000000 ] - [ -0.0005368100000000, 0.0012045500000000, -0.0015907800000000 ] - [ -0.0006426600000000, -0.0000517200000000, 0.0002513700000000 ] - [ -0.0024853300000000, -0.0003912900000000, -0.0005493700000000 ] - [ 0.0001373400000000, -0.0003028900000000, 0.0000688500000000 ] - [ -0.0007947600000000, 0.0038658900000000, 0.0003563800000000 ] - [ 0.0011119500000000, 0.0002508400000000, 0.0003811000000000 ] - [ -0.0009899800000000, 0.0001457600000000, -0.0002526200000000 ] - [ 0.0006280200000000, 0.0001648400000000, 0.0000348700000000 ] - [ 0.0037947400000000, -0.0022548100000000, -0.0004528600000000 ] - [ -0.0007580000000000, 0.0000389300000000, 0.0003674500000000 ] - [ 0.0010117200000000, -0.0006553100000000, -0.0009256900000000 ] - [ 0.0005624800000000, 0.0010925600000000, 0.0030272300000000 ] - [ -0.0007992300000000, -0.0002330300000000, -0.0002585800000000 ] - [ -0.0045542500000000, 0.0002666300000000, -0.0003382600000000 ] - [ -0.0001724200000000, 0.0005810100000000, 0.0001790000000000 ] - [ -0.0007125900000000, 0.0012763600000000, -0.0005054700000000 ] - [ -0.0021758100000000, -0.0022426700000000, 0.0010420200000000 ] - [ 0.0006285400000000, -0.0006785200000000, 0.0001776500000000 ] - [ 0.0003702900000000, -0.0002454700000000, 0.0000412700000000 ] - [ -0.0013559700000000, -0.0010136200000000, -0.0003499000000000 ] - [ -0.0002440800000000, 0.0002568700000000, 0.0006820200000000 ] - [ -0.0005615400000000, 0.0001117400000000, -0.0001326500000000 ] - [ 0.0008688600000000, 0.0004904800000000, 0.0001072000000000 ] - [ -0.0013449100000000, -0.0000190700000000, -0.0008305700000000 ] - [ -0.0004662800000000, -0.0001061700000000, 0.0007471400000000 ] - [ 0.0008772600000000, -0.0004563800000000, 0.0003013200000000 ] - [ -0.0005777300000000, -0.0005716900000000, -0.0003051600000000 ] - [ 0.0001919100000000, 0.0006387200000000, -0.0001981000000000 ] - [ -0.0011895700000000, -0.0019018600000000, -0.0028585800000000 ] - [ 0.0001070600000000, 0.0002797500000000, 0.0000399700000000 ] - [ -0.0004752700000000, 0.0023768100000000, -0.0061424200000000 ] - [ -0.0006497500000000, 0.0002528800000000, -0.0000008400000000 ] - [ 0.0006788400000000, -0.0003633900000000, 0.0004679400000000 ] - [ -0.0008488900000000, -0.0006173100000000, 0.0010465500000000 ]- atom: 20 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0004442800000000, -0.0001200200000000, -0.0004805100000000 ] - [ 0.0014521000000000, -0.0015198300000000, -0.0008410400000000 ] - [ -0.0005498600000000, -0.0002497900000000, -0.0001283000000000 ] - [ 0.0021050100000000, -0.0004418200000000, -0.0010654200000000 ] - [ 0.0020395700000000, 0.0003519800000000, 0.0012782600000000 ] - [ -0.0007515000000000, 0.0002463200000000, 0.0006035600000000 ] - [ 0.0039165600000000, 0.0030867100000000, 0.0001028300000000 ] - [ -0.0022097900000000, -0.0011436600000000, 0.0013898300000000 ] - [ -0.0006721200000000, 0.0001709800000000, -0.0002282500000000 ] - [ 0.0020508800000000, 0.0001790100000000, 0.0000110800000000 ] - [ 0.0002296400000000, -0.0052672900000000, -0.0059016500000000 ] - [ -0.0014539700000000, -0.0004399000000000, -0.0004056900000000 ] - [ 0.0015452900000000, 0.0006371600000000, 0.0000776800000000 ] - [ -0.0015971600000000, 0.0006932100000000, -0.0004420200000000 ] - [ -0.0011435000000000, 0.0003432600000000, 0.0001451500000000 ] - [ 0.0007853800000000, -0.0003183200000000, -0.0006512400000000 ] - [ -0.0087988300000000, 0.0031384600000000, 0.0120316800000000 ] - [ -0.0021753700000000, 0.0005695400000000, -0.0019244300000000 ] - [ 0.0006531200000000, -0.0006664700000000, 0.0006705100000000 ] - [ 0.0978486700000000, 0.0266395400000000, -0.0917268500000000 ] - [ -0.0004885500000000, -0.0003774600000000, -0.0002457000000000 ] - [ 0.0004072900000000, -0.0002348300000000, 0.0001631000000000 ] - [ -0.0001003600000000, 0.0001431600000000, -0.0002520400000000 ] - [ -0.0022404000000000, 0.0000081100000000, -0.0009177400000000 ] - [ -0.0061354000000000, -0.0116619600000000, 0.0041583200000000 ] - [ -0.0006087700000000, 0.0000606900000000, 0.0000734900000000 ] - [ -0.0012377500000000, -0.0007452300000000, 0.0015287300000000 ] - [ -0.0000569200000000, -0.0000080500000000, 0.0001564600000000 ] - [ -0.0000165300000000, -0.0005453900000000, 0.0000309700000000 ] - [ -0.0210479500000000, 0.0134047700000000, 0.0108898200000000 ] - [ 0.0006417600000000, -0.0001721000000000, -0.0003124600000000 ] - [ 0.0004106600000000, 0.0004062500000000, -0.0003200500000000 ] - [ -0.0019849800000000, -0.0001562300000000, 0.0003690100000000 ] - [ 0.0009925100000000, -0.0004129300000000, 0.0001143100000000 ] - [ -0.0004990600000000, 0.0015431000000000, 0.0011019900000000 ] - [ 0.0010472100000000, 0.0003170400000000, 0.0009847200000000 ] - [ 0.0007634300000000, 0.0001865300000000, -0.0005452400000000 ] - [ -0.0005129900000000, -0.0001329500000000, 0.0001433300000000 ] - [ -0.0017318900000000, 0.0068858300000000, -0.0032288300000000 ] - [ -0.0007035700000000, -0.0002803000000000, -0.0004141700000000 ] - [ -0.0011078500000000, 0.0002009900000000, -0.0004455800000000 ] - [ -0.0001990000000000, -0.0016789700000000, -0.0012356800000000 ] - [ 0.0005187400000000, -0.0001403500000000, 0.0006195100000000 ] - [ -0.0005039900000000, -0.0001122100000000, 0.0002472700000000 ] - [ 0.0001162700000000, -0.0004741300000000, -0.0003482300000000 ] - [ 0.0006768200000000, -0.0006992800000000, 0.0014525600000000 ] - [ -0.0005125300000000, 0.0006976300000000, -0.0016533300000000 ] - [ -0.0004747300000000, 0.0003902000000000, 0.0002828300000000 ] - [ 0.0008516400000000, 0.0007799900000000, -0.0011536500000000 ] - [ -0.0004653300000000, -0.0001488400000000, -0.0002075200000000 ] - [ -0.0005559300000000, -0.0091777000000000, 0.0121669400000000 ] - [ -0.0006601500000000, 0.0001869200000000, -0.0000430600000000 ] - [ -0.0012365400000000, 0.0002864300000000, -0.0002230200000000 ] - [ 0.0001551900000000, 0.0004386700000000, 0.0002345400000000 ] - [ -0.0000995900000000, 0.0000227800000000, 0.0004242700000000 ] - [ -0.0004582100000000, -0.0012844700000000, 0.0017952600000000 ] - [ 0.0005742700000000, 0.0000429700000000, 0.0001975700000000 ] - [ -0.0007302500000000, 0.0004094300000000, 0.0000643400000000 ] - [ -0.0002349800000000, -0.0002086000000000, -0.0000051900000000 ] - [ 0.0001758200000000, -0.0002149200000000, 0.0001486000000000 ] - [ -0.0008578200000000, -0.0001982200000000, 0.0002117000000000 ] - [ 0.0005052500000000, -0.0002418400000000, 0.0005064100000000 ] - [ 0.0004052400000000, 0.0000549300000000, 0.0002770400000000 ] - [ -0.0007482000000000, -0.0002312100000000, -0.0003047500000000 ] - [ 0.0000660300000000, 0.0001845300000000, 0.0001266300000000 ] - [ -0.0000589900000000, 0.0002753900000000, -0.0000390600000000 ] - [ -0.0005345600000000, -0.0006982600000000, -0.0001410100000000 ] - [ -0.0001880200000000, 0.0001211700000000, 0.0000891600000000 ] - [ -0.0008898900000000, -0.0002326600000000, -0.0003906300000000 ] - [ -0.0040573100000000, -0.0007364500000000, 0.0021060000000000 ] - [ 0.0000039800000000, 0.0005672100000000, -0.0006010400000000 ] - [ 0.0005970800000000, -0.0000610900000000, 0.0001627500000000 ] - [ -0.0003442000000000, 0.0000226100000000, 0.0002664900000000 ] - [ 0.0019975900000000, -0.0012488600000000, -0.0106719000000000 ] - [ 0.0003125300000000, -0.0002389000000000, 0.0001820800000000 ] - [ -0.0000428700000000, 0.0000776400000000, -0.0001433100000000 ] - [ -0.0003561200000000, -0.0003196900000000, 0.0007887300000000 ] - [ 0.0000849300000000, 0.0001733600000000, 0.0000887200000000 ] - [ -0.0008448700000000, 0.0001754100000000, -0.0000185200000000 ] - [ -0.0006797900000000, 0.0007548500000000, -0.0006598400000000 ] - [ 0.0001205000000000, -0.0004721900000000, 0.0004171900000000 ] - [ -0.0002109400000000, -0.0003750500000000, 0.0001094200000000 ] - [ -0.0005571300000000, 0.0023300200000000, 0.0016622300000000 ] - [ -0.0001830700000000, 0.0002340600000000, 0.0002474600000000 ] - [ -0.0005290100000000, 0.0003074500000000, -0.0003172900000000 ] - [ -0.0011205200000000, -0.0009504100000000, -0.0001155900000000 ] - [ 0.0001057500000000, -0.0003241000000000, -0.0003149500000000 ] - [ 0.0087499900000000, -0.0006100100000000, -0.0009927900000000 ] - [ 0.0005331900000000, 0.0000535200000000, 0.0003088500000000 ] - [ -0.0003115600000000, 0.0001383900000000, 0.0003819700000000 ] - [ -0.0012065800000000, 0.0016650400000000, -0.0010103300000000 ] - [ 0.0012413700000000, 0.0004161800000000, 0.0021706500000000 ] - [ -0.0005914600000000, -0.0001828800000000, 0.0002537800000000 ] - [ -0.0003150800000000, -0.0003173900000000, 0.0002225100000000 ] - [ -0.0002464700000000, 0.0003205800000000, -0.0004031300000000 ] - [ -0.0003923400000000, 0.0001821900000000, 0.0005326700000000 ] - [ -0.0507257600000000, -0.0272521100000000, 0.0463722000000000 ] - [ 0.0033359200000000, -0.0026655100000000, 0.0076879300000000 ] - [ 0.0003550900000000, 0.0002655800000000, -0.0007036000000000 ] - [ -0.0010172800000000, -0.0001043000000000, 0.0011192100000000 ] - [ 0.0000654900000000, -0.0002348400000000, -0.0008375900000000 ] - [ -0.0002491500000000, -0.0013264900000000, -0.0014615400000000 ] - [ -0.0011893800000000, 0.0012442300000000, 0.0002374700000000 ] - [ 0.0035389900000000, -0.0007659500000000, 0.0002805200000000 ] - [ 0.0015382400000000, 0.0005549200000000, -0.0004572000000000 ] - [ -0.0019928600000000, -0.0018811500000000, 0.0015971200000000 ] - [ -0.0042864700000000, 0.0006003400000000, 0.0019824100000000 ] - [ 0.0017214300000000, -0.0002787500000000, 0.0006429200000000 ] - [ 0.0019459300000000, -0.0004674100000000, -0.0004204200000000 ] - [ -0.0002027500000000, 0.0073370200000000, -0.0026731000000000 ] - [ -0.0010969400000000, -0.0003864400000000, 0.0004156800000000 ] - [ -0.0237115600000000, 0.0038766400000000, 0.0159648700000000 ] - [ 0.0012463000000000, 0.0003673800000000, 0.0006158100000000 ] - [ -0.0000069000000000, 0.0005143200000000, 0.0008244800000000 ] - [ 0.0009725100000000, 0.0005988100000000, 0.0002461200000000 ] - [ 0.0001418000000000, -0.0005575600000000, 0.0007596500000000 ] - [ -0.0007589500000000, -0.0005332500000000, -0.0025113400000000 ] - [ 0.0057695100000000, -0.0077315700000000, -0.0037171800000000 ] - [ 0.0003888300000000, 0.0004541400000000, -0.0005316300000000 ] - [ -0.0001908500000000, 0.0002626000000000, -0.0008736400000000 ] - [ -0.0037959300000000, 0.0041725500000000, -0.0030334400000000 ] - [ 0.0007548800000000, -0.0000933200000000, -0.0003579100000000 ] - [ 0.0009144700000000, 0.0001044400000000, 0.0001728500000000 ] - [ -0.0004633000000000, 0.0001849500000000, -0.0004274100000000 ] - [ -0.0008619300000000, 0.0005969800000000, 0.0001445600000000 ] - [ 0.0012567100000000, 0.0003301500000000, -0.0007974700000000 ] - [ 0.0005501700000000, -0.0011997900000000, 0.0015824900000000 ] - [ 0.0006431600000000, 0.0000519500000000, -0.0002513500000000 ] - [ 0.0024852900000000, 0.0003918200000000, 0.0005516300000000 ] - [ -0.0001406700000000, 0.0003000800000000, -0.0000710900000000 ] - [ 0.0007942800000000, -0.0038864200000000, -0.0003535100000000 ] - [ -0.0011099700000000, -0.0002401100000000, -0.0003644000000000 ] - [ 0.0009923200000000, -0.0001479400000000, -0.0006666000000000 ] - [ -0.0006279000000000, -0.0001637300000000, -0.0009509200000000 ] - [ -0.0037840900000000, 0.0022928700000000, 0.0013620400000000 ] - [ 0.0007562400000000, -0.0000404600000000, 0.0005515300000000 ] - [ -0.0009976500000000, -0.0004592200000000, 0.0005484800000000 ] - [ 0.0005478200000000, -0.0010843700000000, -0.0034081800000000 ] - [ -0.0003134800000000, 0.0002227700000000, -0.0001027800000000 ] - [ 0.0045621900000000, 0.0008501200000000, -0.0000290000000000 ] - [ 0.0001601200000000, 0.0005321900000000, 0.0001826300000000 ] - [ -0.0004009700000000, -0.0012866100000000, 0.0008690500000000 ] - [ 0.0032848000000000, 0.0022371000000000, -0.0006736600000000 ] - [ -0.0006212200000000, -0.0004353900000000, 0.0001843600000000 ] - [ -0.0003706400000000, 0.0002442100000000, -0.0000409700000000 ] - [ 0.0013612800000000, 0.0010103100000000, 0.0003463100000000 ] - [ 0.0002454100000000, -0.0002561700000000, -0.0006777400000000 ] - [ 0.0005606100000000, -0.0001114100000000, 0.0001332400000000 ] - [ -0.0008598100000000, -0.0004986900000000, -0.0010382500000000 ] - [ 0.0013426300000000, 0.0000225000000000, -0.0000854200000000 ] - [ 0.0004652900000000, 0.0001067700000000, 0.0001696000000000 ] - [ -0.0008746900000000, 0.0004380300000000, 0.0006165400000000 ] - [ 0.0005892300000000, -0.0005417600000000, -0.0000572500000000 ] - [ 0.0009241500000000, -0.0006245200000000, -0.0001646300000000 ] - [ 0.0000598200000000, 0.0018950900000000, 0.0025221000000000 ] - [ -0.0001157900000000, 0.0008325200000000, -0.0004017200000000 ] - [ 0.0006495700000000, -0.0013007200000000, 0.0065818300000000 ] - [ -0.0004588500000000, -0.0002628700000000, 0.0003615200000000 ] - [ 0.0004320600000000, 0.0003735000000000, -0.0001069500000000 ] - [ 0.0008593600000000, -0.0004970100000000, -0.0006792200000000 ]- atom: 20 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002189600000000, -0.0002157700000000, -0.0005319100000000 ] - [ 0.0003573900000000, 0.0021312500000000, -0.0008848700000000 ] - [ -0.0001464300000000, 0.0005074600000000, -0.0006268300000000 ] - [ 0.0004234500000000, 0.0017463600000000, -0.0012186000000000 ] - [ -0.0010823500000000, 0.0001456500000000, -0.0007217900000000 ] - [ -0.0002388700000000, -0.0002646700000000, 0.0003005600000000 ] - [ -0.0026431200000000, 0.0184928400000000, 0.0106809600000000 ] - [ 0.0014798400000000, 0.0003481000000000, -0.0005325400000000 ] - [ -0.0005937200000000, 0.0003075900000000, -0.0001291100000000 ] - [ -0.0009262900000000, 0.0019140900000000, 0.0019093700000000 ] - [ 0.0046619600000000, 0.0023224000000000, 0.0069568500000000 ] - [ -0.0001913800000000, -0.0005076900000000, -0.0001972000000000 ] - [ -0.0005398600000000, -0.0014155700000000, 0.0010869700000000 ] - [ -0.0003263900000000, -0.0004578200000000, 0.0002143700000000 ] - [ -0.0000706400000000, 0.0003141900000000, 0.0001953000000000 ] - [ 0.0002423200000000, 0.0009497500000000, 0.0012973700000000 ] - [ -0.0028033500000000, -0.0036282800000000, 0.0032473200000000 ] - [ -0.0005490000000000, -0.0016320200000000, 0.0000643300000000 ] - [ 0.0006986500000000, -0.0009034900000000, -0.0005291600000000 ] - [ -0.0253537400000000, -0.0997881700000000, 0.0193369600000000 ] - [ -0.0002606200000000, 0.0008961500000000, -0.0000405100000000 ] - [ -0.0001507500000000, 0.0002124500000000, 0.0003127100000000 ] - [ 0.0002464300000000, 0.0012587000000000, 0.0002282200000000 ] - [ 0.0008172100000000, -0.0009969200000000, -0.0000204400000000 ] - [ 0.0067845100000000, 0.0058209800000000, -0.0035763200000000 ] - [ -0.0002521600000000, 0.0003387900000000, 0.0001153000000000 ] - [ 0.0003732900000000, -0.0006268800000000, 0.0001937200000000 ] - [ -0.0002011200000000, -0.0009121500000000, -0.0001743500000000 ] - [ 0.0003832400000000, 0.0009238100000000, -0.0001947600000000 ] - [ -0.0047951900000000, -0.0013986900000000, 0.0031803800000000 ] - [ -0.0003244200000000, 0.0014179700000000, -0.0000885400000000 ] - [ -0.0000381500000000, 0.0008787100000000, -0.0004479400000000 ] - [ -0.0000146800000000, -0.0007039000000000, 0.0003799300000000 ] - [ 0.0015061600000000, 0.0009010400000000, 0.0009460900000000 ] - [ -0.0005164300000000, 0.0004665900000000, 0.0006426200000000 ] - [ 0.0003586200000000, -0.0003738700000000, 0.0003225700000000 ] - [ 0.0001735100000000, 0.0012754900000000, -0.0002844500000000 ] - [ -0.0000354300000000, 0.0004104600000000, -0.0006991400000000 ] - [ -0.0087294100000000, 0.0061625300000000, -0.0046317700000000 ] - [ -0.0003071000000000, -0.0000549700000000, -0.0004607500000000 ] - [ 0.0001103700000000, -0.0001647500000000, 0.0001084500000000 ] - [ 0.0001417700000000, 0.0015203400000000, 0.0008522600000000 ] - [ 0.0000116700000000, -0.0000029300000000, -0.0000240500000000 ] - [ -0.0001995200000000, 0.0001279700000000, 0.0002268400000000 ] - [ 0.0001631300000000, 0.0014173300000000, -0.0001717300000000 ] - [ 0.0007445000000000, 0.0002034400000000, -0.0015695500000000 ] - [ -0.0007424800000000, -0.0003657500000000, -0.0016112000000000 ] - [ -0.0009560500000000, 0.0011206500000000, 0.0005020600000000 ] - [ -0.0019171900000000, 0.0006061500000000, -0.0013413200000000 ] - [ 0.0003090300000000, -0.0002786400000000, -0.0005958600000000 ] - [ 0.0043487400000000, 0.0049120100000000, -0.0139994900000000 ] - [ 0.0001441200000000, 0.0001575800000000, -0.0004391700000000 ] - [ 0.0002732600000000, 0.0004179400000000, 0.0003770400000000 ] - [ -0.0009806300000000, 0.0038708900000000, 0.0007894300000000 ] - [ 0.0002377700000000, 0.0001126200000000, 0.0003281300000000 ] - [ 0.0009897700000000, 0.0006159700000000, -0.0011272100000000 ] - [ -0.0002113100000000, 0.0007735500000000, -0.0010230800000000 ] - [ -0.0001466400000000, 0.0001701300000000, 0.0000129000000000 ] - [ 0.0002300800000000, -0.0000079200000000, -0.0000320900000000 ] - [ -0.0000805800000000, 0.0004639800000000, -0.0002086400000000 ] - [ -0.0001872800000000, 0.0001564800000000, 0.0000982200000000 ] - [ -0.0000318000000000, 0.0002248800000000, -0.0000097500000000 ] - [ -0.0000219300000000, 0.0001193200000000, 0.0003985500000000 ] - [ 0.0004479300000000, 0.0000352300000000, 0.0002431100000000 ] - [ 0.0002776700000000, 0.0004018300000000, -0.0000271500000000 ] - [ 0.0000660800000000, 0.0008300400000000, -0.0001198400000000 ] - [ 0.0002525600000000, 0.0002889200000000, -0.0000674700000000 ] - [ 0.0001901500000000, 0.0004149900000000, -0.0001987200000000 ] - [ -0.0001913400000000, -0.0004393000000000, 0.0000143300000000 ] - [ -0.0008421800000000, -0.0008261800000000, 0.0005352100000000 ] - [ -0.0005712000000000, -0.0007711300000000, 0.0000347200000000 ] - [ 0.0002754000000000, 0.0005728100000000, 0.0000677200000000 ] - [ 0.0002912300000000, 0.0006169800000000, 0.0000001800000000 ] - [ 0.0000583200000000, -0.0049533900000000, 0.0008632100000000 ] - [ 0.0002093400000000, 0.0009880000000000, 0.0000497100000000 ] - [ -0.0000667200000000, 0.0008221200000000, 0.0000406400000000 ] - [ 0.0002903700000000, -0.0009969300000000, -0.0004128400000000 ] - [ 0.0000655400000000, 0.0002887700000000, -0.0000658800000000 ] - [ -0.0002337200000000, -0.0002721500000000, -0.0001533200000000 ] - [ -0.0005080300000000, -0.0002515500000000, -0.0001788900000000 ] - [ -0.0004834000000000, 0.0002017200000000, 0.0004704400000000 ] - [ 0.0006262700000000, -0.0006547400000000, 0.0007764300000000 ] - [ -0.0011479900000000, 0.0003723200000000, 0.0006203900000000 ] - [ 0.0003076900000000, 0.0008118500000000, 0.0003588900000000 ] - [ 0.0002539100000000, -0.0000316100000000, -0.0004276500000000 ] - [ 0.0010480200000000, 0.0012038600000000, -0.0009338700000000 ] - [ 0.0002165800000000, -0.0001295200000000, -0.0004633900000000 ] - [ -0.0018679500000000, -0.0001213100000000, -0.0131620300000000 ] - [ 0.0002578400000000, 0.0011779900000000, 0.0002666400000000 ] - [ -0.0000119900000000, -0.0002062600000000, -0.0000860200000000 ] - [ -0.0001428600000000, -0.0001091900000000, 0.0001686200000000 ] - [ -0.0007284600000000, -0.0017848400000000, 0.0013504900000000 ] - [ -0.0001284400000000, -0.0003980900000000, -0.0001742900000000 ] - [ 0.0004965500000000, -0.0000685900000000, -0.0005009000000000 ] - [ -0.0004959800000000, 0.0006257300000000, -0.0005471100000000 ] - [ -0.0004291700000000, -0.0004127300000000, 0.0000416200000000 ] - [ 0.0306343700000000, 0.0463650800000000, -0.0363851300000000 ] - [ 0.0032678800000000, 0.0054513200000000, 0.0056503000000000 ] - [ -0.0007065500000000, 0.0001369700000000, 0.0015753300000000 ] - [ -0.0006715400000000, -0.0017850800000000, 0.0007226100000000 ] - [ -0.0004236700000000, -0.0015493900000000, -0.0010678400000000 ] - [ 0.0004900800000000, -0.0010469300000000, -0.0009394000000000 ] - [ -0.0002641400000000, -0.0016405600000000, -0.0009002300000000 ] - [ 0.0005978800000000, 0.0012165800000000, -0.0009370300000000 ] - [ -0.0005757700000000, -0.0002695400000000, 0.0006995900000000 ] - [ 0.0024854900000000, -0.0066320200000000, 0.0044061800000000 ] - [ 0.0017632300000000, -0.0008361300000000, -0.0041248500000000 ] - [ 0.0003669100000000, 0.0002368300000000, -0.0000501400000000 ] - [ -0.0001085300000000, 0.0005669000000000, 0.0001611700000000 ] - [ -0.0013854300000000, -0.0051800100000000, 0.0022928500000000 ] - [ 0.0007120000000000, -0.0001425000000000, 0.0008334800000000 ] - [ -0.0047762200000000, 0.0283916800000000, 0.0202468500000000 ] - [ 0.0005025800000000, -0.0002266500000000, 0.0007386700000000 ] - [ -0.0001567100000000, -0.0001332800000000, 0.0010467900000000 ] - [ -0.0003075200000000, -0.0020601400000000, 0.0014951700000000 ] - [ -0.0006128700000000, 0.0004261500000000, 0.0007638300000000 ] - [ -0.0005324300000000, 0.0010485300000000, -0.0004069500000000 ] - [ 0.0018895000000000, -0.0013981400000000, -0.0012045200000000 ] - [ -0.0002827500000000, 0.0015987800000000, -0.0007995700000000 ] - [ 0.0006120400000000, -0.0007214700000000, -0.0006721100000000 ] - [ 0.0017728900000000, -0.0034316600000000, 0.0037352300000000 ] - [ 0.0000226500000000, 0.0001053600000000, 0.0001236800000000 ] - [ -0.0001224100000000, -0.0001971500000000, -0.0001406200000000 ] - [ -0.0002232200000000, -0.0006258400000000, 0.0003467500000000 ] - [ -0.0006237300000000, -0.0041376900000000, -0.0004503200000000 ] - [ -0.0010139400000000, 0.0002999500000000, 0.0005189500000000 ] - [ 0.0015320700000000, -0.0006844100000000, 0.0003814900000000 ] - [ 0.0000373800000000, -0.0006041800000000, 0.0000813100000000 ] - [ 0.0002050700000000, 0.0005456800000000, 0.0000173200000000 ] - [ -0.0002722700000000, -0.0001023800000000, -0.0003397700000000 ] - [ 0.0019113000000000, -0.0006199000000000, -0.0017316000000000 ] - [ 0.0004683800000000, 0.0019006300000000, 0.0021672600000000 ] - [ 0.0000482400000000, 0.0000412300000000, -0.0006305400000000 ] - [ 0.0000832200000000, 0.0002264300000000, -0.0003107300000000 ] - [ -0.0013996500000000, -0.0023804500000000, 0.0007083400000000 ] - [ 0.0001536400000000, 0.0000920300000000, 0.0006546000000000 ] - [ 0.0000321300000000, 0.0001628400000000, -0.0000636700000000 ] - [ 0.0006242100000000, 0.0006026700000000, -0.0006049500000000 ] - [ -0.0009220200000000, -0.0003926600000000, -0.0003473500000000 ] - [ -0.0005579900000000, 0.0025160200000000, 0.0002236300000000 ] - [ 0.0000298900000000, 0.0001485800000000, 0.0001415900000000 ] - [ 0.0004305300000000, -0.0022879100000000, 0.0009891400000000 ] - [ -0.0004671400000000, 0.0015021200000000, 0.0001102700000000 ] - [ 0.0001580700000000, -0.0024362500000000, 0.0002728700000000 ] - [ 0.0000494400000000, -0.0008780400000000, -0.0000804200000000 ] - [ -0.0017653900000000, -0.0002709300000000, -0.0000114400000000 ] - [ 0.0002275600000000, -0.0001148200000000, -0.0002111800000000 ] - [ -0.0000931700000000, -0.0005444000000000, 0.0000602900000000 ] - [ 0.0007305000000000, -0.0014032700000000, -0.0031719000000000 ] - [ -0.0003471400000000, -0.0001925800000000, -0.0006344800000000 ] - [ -0.0000811600000000, -0.0000621400000000, 0.0004923000000000 ] - [ 0.0004561900000000, -0.0020599700000000, 0.0013506600000000 ] - [ -0.0000887200000000, -0.0010763200000000, -0.0002275500000000 ] - [ 0.0009693000000000, -0.0007388900000000, -0.0002659500000000 ] - [ -0.0026685700000000, 0.0007107000000000, -0.0021988500000000 ] - [ -0.0000289700000000, -0.0001819500000000, -0.0001068000000000 ] - [ 0.0007270100000000, 0.0057006900000000, -0.0003435500000000 ] - [ -0.0001570800000000, 0.0002262300000000, 0.0003521100000000 ] - [ 0.0004490700000000, -0.0006736300000000, 0.0003811000000000 ] - [ -0.0000118400000000, -0.0001600600000000, 0.0000731400000000 ]- atom: 20 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001406800000000, -0.0002448600000000, -0.0001807800000000 ] - [ 0.0001037100000000, -0.0022083800000000, 0.0001674600000000 ] - [ -0.0003142200000000, -0.0004294400000000, -0.0000852000000000 ] - [ -0.0003430900000000, -0.0012872800000000, 0.0005094100000000 ] - [ 0.0011565500000000, 0.0003085000000000, 0.0014348700000000 ] - [ -0.0002209900000000, 0.0003390600000000, 0.0004131500000000 ] - [ 0.0031301500000000, -0.0188668400000000, -0.0102059600000000 ] - [ -0.0015653900000000, -0.0008092100000000, 0.0012494900000000 ] - [ 0.0009726000000000, -0.0000816000000000, -0.0000471900000000 ] - [ 0.0006913000000000, -0.0015135300000000, -0.0020610600000000 ] - [ -0.0043721600000000, -0.0027072500000000, -0.0070554600000000 ] - [ -0.0001929300000000, 0.0002763100000000, 0.0000204600000000 ] - [ 0.0001528900000000, 0.0011844900000000, -0.0009051500000000 ] - [ 0.0005528400000000, 0.0000725100000000, -0.0000393100000000 ] - [ -0.0001564100000000, 0.0000680200000000, -0.0000203600000000 ] - [ 0.0001425300000000, -0.0007198300000000, -0.0011166800000000 ] - [ 0.0034675300000000, 0.0036746500000000, -0.0033732200000000 ] - [ 0.0005196700000000, 0.0023441600000000, -0.0002175700000000 ] - [ -0.0006550400000000, 0.0001904300000000, 0.0003836700000000 ] - [ 0.0262838000000000, 0.0992985900000000, -0.0202299900000000 ] - [ -0.0004525700000000, -0.0009358000000000, -0.0001073300000000 ] - [ 0.0001907500000000, -0.0009256300000000, -0.0001625700000000 ] - [ -0.0002898700000000, -0.0005453300000000, -0.0000817700000000 ] - [ -0.0001074200000000, 0.0010345900000000, 0.0001631900000000 ] - [ -0.0068493800000000, -0.0054173600000000, 0.0037972400000000 ] - [ -0.0001978000000000, -0.0003066300000000, 0.0000813800000000 ] - [ 0.0000766600000000, 0.0005946300000000, 0.0000038400000000 ] - [ 0.0001677500000000, 0.0004548200000000, 0.0003722100000000 ] - [ -0.0004180100000000, -0.0013757600000000, -0.0000003700000000 ] - [ 0.0051984000000000, 0.0014319300000000, -0.0033568200000000 ] - [ -0.0001296500000000, -0.0013825800000000, -0.0001085500000000 ] - [ 0.0000716000000000, -0.0004271800000000, 0.0002490400000000 ] - [ -0.0006255600000000, 0.0000980300000000, 0.0003701200000000 ] - [ -0.0009093300000000, -0.0015412600000000, -0.0001953000000000 ] - [ -0.0000899900000000, 0.0001713300000000, 0.0001109400000000 ] - [ 0.0002784600000000, 0.0009764000000000, 0.0004302600000000 ] - [ 0.0004673300000000, -0.0006690100000000, -0.0004676600000000 ] - [ -0.0005701300000000, 0.0002285900000000, -0.0000519500000000 ] - [ 0.0092026200000000, -0.0067320500000000, 0.0038211000000000 ] - [ -0.0003327900000000, -0.0005508300000000, -0.0002919000000000 ] - [ 0.0001629500000000, 0.0005134700000000, 0.0001399400000000 ] - [ -0.0004934100000000, -0.0012496900000000, -0.0006076200000000 ] - [ 0.0003378600000000, -0.0002721100000000, 0.0002726600000000 ] - [ -0.0000757700000000, -0.0004776000000000, 0.0000235800000000 ] - [ -0.0004363400000000, -0.0017709000000000, -0.0000756600000000 ] - [ -0.0003903400000000, -0.0004764300000000, 0.0013259800000000 ] - [ 0.0003940500000000, 0.0006286900000000, 0.0013585200000000 ] - [ 0.0002391500000000, -0.0011606800000000, -0.0003530300000000 ] - [ 0.0018446600000000, -0.0010626600000000, 0.0006330300000000 ] - [ 0.0001506600000000, 0.0002027300000000, -0.0001166300000000 ] - [ -0.0047505800000000, -0.0048294400000000, 0.0131589300000000 ] - [ -0.0000644000000000, 0.0003002600000000, -0.0002736900000000 ] - [ -0.0001955800000000, 0.0000419400000000, 0.0003355100000000 ] - [ 0.0005278100000000, -0.0038070800000000, -0.0000729000000000 ] - [ 0.0002225100000000, -0.0001907600000000, 0.0003843900000000 ] - [ -0.0010657600000000, -0.0010730300000000, 0.0018351400000000 ] - [ 0.0005950600000000, -0.0005441400000000, 0.0008440900000000 ] - [ -0.0000815100000000, 0.0002150600000000, -0.0001876500000000 ] - [ -0.0000037800000000, -0.0003743100000000, -0.0001430400000000 ] - [ -0.0003022000000000, -0.0006891500000000, 0.0000335100000000 ] - [ -0.0001968800000000, -0.0003825700000000, 0.0000772700000000 ] - [ 0.0002587900000000, -0.0006068300000000, 0.0001843800000000 ] - [ -0.0002061300000000, 0.0002674600000000, -0.0002260600000000 ] - [ -0.0000650200000000, 0.0001946500000000, -0.0000681400000000 ] - [ 0.0004373500000000, -0.0003597400000000, -0.0001203300000000 ] - [ -0.0001078100000000, -0.0001156800000000, -0.0000269600000000 ] - [ -0.0002104100000000, -0.0010029100000000, -0.0000805300000000 ] - [ 0.0000839900000000, -0.0000653100000000, -0.0000502200000000 ] - [ -0.0005148300000000, 0.0004026300000000, -0.0001567600000000 ] - [ 0.0008712500000000, 0.0001109300000000, -0.0003800500000000 ] - [ 0.0005290100000000, 0.0014804300000000, 0.0001122700000000 ] - [ 0.0004385800000000, -0.0005314000000000, 0.0000798000000000 ] - [ -0.0002568200000000, -0.0001632400000000, 0.0001949200000000 ] - [ -0.0004628900000000, 0.0049868500000000, -0.0005728300000000 ] - [ 0.0002456300000000, -0.0010226400000000, 0.0001457700000000 ] - [ 0.0000347700000000, -0.0012737300000000, 0.0001555800000000 ] - [ -0.0003229500000000, 0.0005399300000000, 0.0002185500000000 ] - [ 0.0003849700000000, -0.0003222400000000, -0.0001306200000000 ] - [ -0.0002156300000000, 0.0003041700000000, -0.0000428000000000 ] - [ 0.0005398600000000, 0.0007071200000000, -0.0000181800000000 ] - [ -0.0001571800000000, -0.0008066900000000, 0.0002829500000000 ] - [ -0.0000184600000000, 0.0000144700000000, -0.0000225400000000 ] - [ 0.0005477700000000, 0.0002750900000000, 0.0001355600000000 ] - [ 0.0003296200000000, -0.0002050900000000, 0.0003927100000000 ] - [ 0.0003853200000000, 0.0006352200000000, -0.0003237100000000 ] - [ -0.0016475800000000, -0.0005618800000000, 0.0001755600000000 ] - [ 0.0003889400000000, -0.0005071300000000, -0.0002870800000000 ] - [ 0.0012524000000000, -0.0004555700000000, 0.0125109800000000 ] - [ 0.0000147000000000, -0.0008290600000000, -0.0000213700000000 ] - [ -0.0003383100000000, 0.0004789000000000, 0.0003350100000000 ] - [ 0.0004904500000000, -0.0001576400000000, 0.0000743800000000 ] - [ 0.0004503500000000, 0.0014403900000000, -0.0010919600000000 ] - [ -0.0001444200000000, 0.0000493900000000, -0.0000722000000000 ] - [ -0.0001454200000000, -0.0002074000000000, 0.0002518000000000 ] - [ 0.0001451500000000, -0.0003500900000000, 0.0002992300000000 ] - [ -0.0002858000000000, 0.0003710300000000, 0.0001069000000000 ] - [ -0.0302502300000000, -0.0455711500000000, 0.0389911300000000 ] - [ -0.0038696300000000, -0.0042300200000000, -0.0041156100000000 ] - [ 0.0012630500000000, -0.0013013600000000, -0.0000490400000000 ] - [ -0.0004906900000000, 0.0012253200000000, 0.0008041700000000 ] - [ -0.0007328300000000, 0.0009884000000000, -0.0004615200000000 ] - [ 0.0000718100000000, -0.0001119100000000, -0.0005903300000000 ] - [ -0.0002905900000000, 0.0028007700000000, -0.0006258000000000 ] - [ 0.0005663500000000, -0.0006608100000000, -0.0005857600000000 ] - [ 0.0005767200000000, 0.0002695300000000, -0.0006999900000000 ] - [ -0.0024947600000000, 0.0066500100000000, -0.0044233200000000 ] - [ -0.0017632000000000, 0.0008353400000000, 0.0041108100000000 ] - [ -0.0003645700000000, -0.0002329800000000, 0.0000510000000000 ] - [ 0.0001082100000000, -0.0005657000000000, -0.0001626000000000 ] - [ 0.0013848400000000, 0.0051849000000000, -0.0023018400000000 ] - [ -0.0007107500000000, 0.0001491000000000, -0.0008345900000000 ] - [ 0.0049265200000000, -0.0280579300000000, -0.0206006100000000 ] - [ 0.0006568000000000, 0.0007828200000000, 0.0007890700000000 ] - [ -0.0004024200000000, 0.0012902000000000, 0.0004818600000000 ] - [ 0.0008636000000000, 0.0008976500000000, 0.0000352200000000 ] - [ -0.0005522900000000, -0.0009806000000000, 0.0007574800000000 ] - [ -0.0006269200000000, -0.0016021100000000, -0.0011217500000000 ] - [ -0.0013134000000000, 0.0002019900000000, -0.0003373200000000 ] - [ -0.0002768600000000, -0.0004327200000000, -0.0007306500000000 ] - [ 0.0005495400000000, 0.0012791300000000, -0.0008523400000000 ] - [ -0.0017708400000000, 0.0034437200000000, -0.0037362500000000 ] - [ -0.0000218900000000, -0.0001054400000000, -0.0001252900000000 ] - [ 0.0001230200000000, 0.0001939900000000, 0.0001402000000000 ] - [ 0.0002208100000000, 0.0006220900000000, -0.0003445100000000 ] - [ 0.0006230400000000, 0.0041374800000000, 0.0004513600000000 ] - [ 0.0010119400000000, -0.0002969700000000, -0.0005188700000000 ] - [ -0.0015370400000000, 0.0006785500000000, -0.0003781000000000 ] - [ -0.0000369100000000, 0.0006036400000000, -0.0000826000000000 ] - [ -0.0002047600000000, -0.0005458200000000, -0.0000165000000000 ] - [ 0.0002736700000000, 0.0000977600000000, 0.0003406800000000 ] - [ -0.0019057200000000, 0.0006243500000000, 0.0017277100000000 ] - [ -0.0004681400000000, -0.0018969900000000, -0.0021679800000000 ] - [ -0.0000479600000000, -0.0000411500000000, -0.0002864300000000 ] - [ -0.0000831600000000, -0.0002242900000000, -0.0006082600000000 ] - [ 0.0015159500000000, 0.0027996900000000, 0.0001970700000000 ] - [ -0.0001538200000000, -0.0000899000000000, 0.0002624800000000 ] - [ -0.0000185200000000, -0.0012801900000000, -0.0003160500000000 ] - [ 0.0004892900000000, -0.0005895400000000, 0.0002440000000000 ] - [ -0.0001933700000000, 0.0003815700000000, -0.0000158100000000 ] - [ 0.0005495800000000, -0.0014077600000000, -0.0005844800000000 ] - [ -0.0000391700000000, 0.0009639200000000, 0.0002204800000000 ] - [ -0.0015419800000000, 0.0022743000000000, -0.0006233800000000 ] - [ 0.0015814600000000, -0.0014792200000000, 0.0002507100000000 ] - [ -0.0001463800000000, 0.0013177500000000, 0.0000887200000000 ] - [ -0.0000494500000000, 0.0008751600000000, 0.0000788700000000 ] - [ 0.0017577100000000, 0.0002723800000000, 0.0000128400000000 ] - [ -0.0002276700000000, 0.0001128300000000, 0.0002102200000000 ] - [ 0.0000938400000000, 0.0005431000000000, -0.0000596400000000 ] - [ -0.0007356200000000, 0.0014059000000000, 0.0022698200000000 ] - [ 0.0003497100000000, 0.0001906500000000, -0.0002809000000000 ] - [ 0.0000809800000000, 0.0000611700000000, 0.0004234100000000 ] - [ -0.0004546100000000, 0.0020495400000000, -0.0004369600000000 ] - [ 0.0000981600000000, -0.0000376800000000, -0.0001344500000000 ] - [ 0.0001420300000000, 0.0007455100000000, -0.0000951900000000 ] - [ 0.0015537000000000, -0.0007383300000000, 0.0018476400000000 ] - [ 0.0000175600000000, 0.0012938600000000, -0.0002543700000000 ] - [ -0.0007278100000000, -0.0045806200000000, 0.0007248200000000 ] - [ -0.0009549300000000, -0.0002373200000000, 0.0000099000000000 ] - [ 0.0006643600000000, 0.0006819900000000, -0.0000200200000000 ] - [ 0.0000221900000000, -0.0009529200000000, 0.0002853900000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002718400000000, -0.0003339600000000, 0.0003768700000000 ] - [ 0.0006558000000000, -0.0028535700000000, -0.0010587300000000 ] - [ -0.0003952000000000, -0.0002669000000000, -0.0001196800000000 ] - [ 0.0008760000000000, -0.0004940600000000, -0.0028850800000000 ] - [ 0.0014128100000000, -0.0010671600000000, 0.0027241400000000 ] - [ -0.0005000900000000, 0.0004444400000000, 0.0011133700000000 ] - [ -0.0012893700000000, 0.0161467700000000, -0.0010378400000000 ] - [ -0.0013465900000000, -0.0009418700000000, 0.0004955600000000 ] - [ 0.0005152200000000, 0.0001239200000000, -0.0007635300000000 ] - [ -0.0003686200000000, 0.0018516900000000, -0.0007840300000000 ] - [ 0.0041345900000000, 0.0059471100000000, 0.0018027400000000 ] - [ -0.0005033800000000, -0.0004388800000000, -0.0008524100000000 ] - [ 0.0003935500000000, 0.0015672200000000, 0.0016841400000000 ] - [ -0.0011805300000000, 0.0007690400000000, -0.0013829500000000 ] - [ -0.0004899800000000, 0.0004154200000000, -0.0003494400000000 ] - [ 0.0006144600000000, 0.0012157500000000, 0.0012361400000000 ] - [ -0.0165694200000000, 0.0040563600000000, 0.0110347400000000 ] - [ 0.0027909100000000, 0.0010182600000000, -0.0029706800000000 ] - [ -0.0007272300000000, -0.0007209600000000, 0.0022202200000000 ] - [ 0.0915098900000000, 0.0222231200000000, -0.2250250700000000 ] - [ -0.0002681000000000, 0.0005206100000000, -0.0004600100000000 ] - [ -0.0000214000000000, -0.0002253600000000, 0.0004264500000000 ] - [ 0.0002129800000000, 0.0003466800000000, -0.0002131700000000 ] - [ 0.0004440200000000, -0.0002327700000000, -0.0012798900000000 ] - [ -0.0041145300000000, -0.0056265100000000, -0.0023681800000000 ] - [ -0.0001743500000000, -0.0000355000000000, 0.0002227100000000 ] - [ -0.0016648800000000, -0.0009458300000000, 0.0019645900000000 ] - [ 0.0004089700000000, -0.0003259700000000, 0.0016068000000000 ] - [ -0.0002367200000000, -0.0008123700000000, -0.0004109100000000 ] - [ -0.0130304100000000, 0.0077552400000000, 0.0000334200000000 ] - [ 0.0002932800000000, -0.0003228200000000, -0.0007485400000000 ] - [ 0.0001725000000000, -0.0004239900000000, 0.0004063600000000 ] - [ -0.0004084000000000, -0.0003615700000000, -0.0004842300000000 ] - [ 0.0013326300000000, 0.0007727700000000, 0.0003355300000000 ] - [ -0.0007156600000000, 0.0018074100000000, 0.0013760700000000 ] - [ 0.0003450000000000, 0.0002629600000000, 0.0026503400000000 ] - [ 0.0005885400000000, 0.0000900100000000, -0.0008301300000000 ] - [ -0.0006702900000000, -0.0004019100000000, 0.0009073800000000 ] - [ 0.0033613100000000, -0.0041661600000000, -0.0033628800000000 ] - [ -0.0003619700000000, -0.0003895500000000, -0.0002034300000000 ] - [ -0.0004355500000000, 0.0001904200000000, -0.0001176100000000 ] - [ -0.0001265800000000, -0.0010002900000000, -0.0015311200000000 ] - [ 0.0003847100000000, -0.0003951800000000, 0.0016739300000000 ] - [ -0.0002575500000000, -0.0000731300000000, 0.0000081500000000 ] - [ -0.0003604100000000, -0.0001261900000000, -0.0014832300000000 ] - [ -0.0013160000000000, -0.0016651200000000, 0.0005776700000000 ] - [ 0.0012695900000000, -0.0014278600000000, 0.0005869200000000 ] - [ -0.0003283700000000, -0.0001217100000000, -0.0006169000000000 ] - [ 0.0003822000000000, -0.0012089700000000, -0.0034120900000000 ] - [ -0.0001408800000000, -0.0003548800000000, -0.0000858400000000 ] - [ -0.0057469600000000, -0.0145685100000000, 0.0162125500000000 ] - [ -0.0002770500000000, 0.0001507300000000, 0.0002595900000000 ] - [ -0.0004071200000000, 0.0000656700000000, -0.0001678700000000 ] - [ -0.0007375600000000, 0.0023082800000000, -0.0001801100000000 ] - [ 0.0001764800000000, 0.0000287300000000, 0.0007818600000000 ] - [ -0.0015835400000000, -0.0017949200000000, 0.0030167300000000 ] - [ 0.0009314600000000, -0.0014312800000000, 0.0029846900000000 ] - [ -0.0002793900000000, 0.0003805300000000, 0.0002916400000000 ] - [ 0.0001817200000000, -0.0000000400000000, 0.0002582600000000 ] - [ -0.0003316300000000, -0.0007120800000000, 0.0008429700000000 ] - [ -0.0003629800000000, 0.0000317800000000, 0.0000272800000000 ] - [ 0.0002365000000000, -0.0004388800000000, 0.0012924100000000 ] - [ -0.0005087400000000, 0.0007064200000000, 0.0017642200000000 ] - [ 0.0003365600000000, 0.0004714600000000, -0.0001925900000000 ] - [ 0.0001947600000000, 0.0001019400000000, 0.0002382700000000 ] - [ 0.0000671100000000, 0.0002947200000000, 0.0002772500000000 ] - [ -0.0003515800000000, -0.0006428400000000, -0.0004295100000000 ] - [ -0.0000778700000000, 0.0001001700000000, 0.0004115700000000 ] - [ 0.0017423000000000, 0.0008947400000000, 0.0017529300000000 ] - [ -0.0020788700000000, -0.0004715500000000, 0.0011058500000000 ] - [ 0.0018053100000000, 0.0011515800000000, 0.0014577700000000 ] - [ 0.0005343300000000, -0.0002303700000000, 0.0006753300000000 ] - [ -0.0003040700000000, 0.0000208000000000, 0.0005908800000000 ] - [ 0.0161047400000000, 0.0000175100000000, 0.0233103600000000 ] - [ -0.0002309800000000, -0.0000570100000000, 0.0000424000000000 ] - [ 0.0001539400000000, -0.0002374200000000, -0.0005801500000000 ] - [ -0.0008763600000000, -0.0003186700000000, 0.0011017000000000 ] - [ 0.0000529400000000, 0.0001883100000000, 0.0003585600000000 ] - [ 0.0002173800000000, -0.0001236200000000, 0.0006366100000000 ] - [ 0.0007014800000000, -0.0002596200000000, -0.0006301900000000 ] - [ -0.0002903800000000, -0.0005804700000000, 0.0011802000000000 ] - [ 0.0006717600000000, -0.0000327200000000, 0.0008361800000000 ] - [ -0.0010465700000000, 0.0014179000000000, 0.0009475400000000 ] - [ 0.0000774100000000, 0.0002217700000000, -0.0000261300000000 ] - [ 0.0004765900000000, 0.0002294700000000, 0.0000858400000000 ] - [ -0.0011384100000000, -0.0004405700000000, -0.0017123900000000 ] - [ 0.0004269600000000, -0.0003687100000000, 0.0000788900000000 ] - [ 0.0047658900000000, -0.0174553500000000, 0.0236675400000000 ] - [ 0.0003215400000000, 0.0000306800000000, 0.0007464100000000 ] - [ -0.0003229700000000, 0.0006295300000000, 0.0016748400000000 ] - [ -0.0005537400000000, 0.0012171300000000, -0.0015334500000000 ] - [ -0.0021796900000000, 0.0010479900000000, 0.0035881100000000 ] - [ 0.0002383700000000, -0.0001239700000000, 0.0016290200000000 ] - [ -0.0002504400000000, -0.0004124800000000, -0.0001585200000000 ] - [ 0.0002016900000000, -0.0002067700000000, -0.0001628600000000 ] - [ -0.0007577900000000, 0.0005257800000000, 0.0013792300000000 ] - [ -0.0493765600000000, -0.0365056700000000, 0.0861184200000000 ] - [ -0.0110270600000000, 0.0079792400000000, 0.0046913400000000 ] - [ 0.0015480800000000, 0.0009094400000000, -0.0015413800000000 ] - [ -0.0005452900000000, -0.0002245200000000, 0.0021013500000000 ] - [ -0.0002661000000000, -0.0001069600000000, -0.0003468700000000 ] - [ -0.0000886000000000, -0.0012676400000000, -0.0022183800000000 ] - [ -0.0013876300000000, 0.0004094100000000, 0.0008309300000000 ] - [ 0.0005394100000000, 0.0003230900000000, 0.0001943400000000 ] - [ 0.0007847600000000, 0.0005896800000000, -0.0002310600000000 ] - [ 0.0016034800000000, -0.0034352200000000, 0.0087897400000000 ] - [ 0.0004058700000000, -0.0031089500000000, -0.0021630100000000 ] - [ 0.0005516200000000, -0.0003203800000000, 0.0018364700000000 ] - [ 0.0013555600000000, -0.0002695700000000, -0.0014564400000000 ] - [ 0.0006772900000000, 0.0047713400000000, 0.0004409800000000 ] - [ -0.0014042300000000, 0.0013187700000000, -0.0025883300000000 ] - [ -0.0151292600000000, 0.0168359500000000, 0.0593746200000000 ] - [ 0.0008869600000000, 0.0004902400000000, 0.0002715700000000 ] - [ -0.0005326900000000, 0.0008679000000000, 0.0003523700000000 ] - [ 0.0009966900000000, 0.0001204400000000, 0.0010269200000000 ] - [ -0.0019536200000000, 0.0001726700000000, -0.0012133800000000 ] - [ 0.0007067000000000, -0.0004480800000000, -0.0042250700000000 ] - [ 0.0037431700000000, -0.0049429400000000, -0.0024163100000000 ] - [ -0.0010300300000000, -0.0004026100000000, -0.0024504400000000 ] - [ 0.0003784500000000, 0.0006494300000000, -0.0017388800000000 ] - [ -0.0033599600000000, 0.0074415700000000, -0.0052424800000000 ] - [ 0.0000828200000000, -0.0002558200000000, -0.0012958600000000 ] - [ -0.0000054900000000, -0.0003099400000000, -0.0001827300000000 ] - [ 0.0011122100000000, 0.0008761000000000, -0.0029924700000000 ] - [ 0.0000171900000000, 0.0006346200000000, 0.0007424200000000 ] - [ 0.0017955400000000, 0.0002134700000000, -0.0017455500000000 ] - [ -0.0007522900000000, 0.0002685900000000, 0.0017668200000000 ] - [ 0.0002606700000000, 0.0001106600000000, -0.0004579000000000 ] - [ 0.0000025200000000, -0.0000448400000000, 0.0006407700000000 ] - [ -0.0001277700000000, -0.0005010200000000, -0.0010917800000000 ] - [ 0.0013522600000000, -0.0041894000000000, 0.0024462500000000 ] - [ -0.0013699000000000, -0.0020227200000000, -0.0061359200000000 ] - [ 0.0004854900000000, -0.0003284300000000, -0.0005192000000000 ] - [ -0.0002464200000000, -0.0001558200000000, -0.0029480000000000 ] - [ -0.0003454400000000, 0.0018170800000000, 0.0070673800000000 ] - [ -0.0003184700000000, 0.0002588500000000, 0.0003776800000000 ] - [ 0.0001079900000000, -0.0018089800000000, -0.0059732100000000 ] - [ 0.0014792900000000, -0.0014703000000000, -0.0046434900000000 ] - [ -0.0008669800000000, -0.0002145300000000, -0.0007069700000000 ] - [ 0.0040944200000000, 0.0013584900000000, 0.0024221900000000 ] - [ -0.0001232500000000, 0.0006279000000000, -0.0002352100000000 ] - [ -0.0012430600000000, 0.0009252700000000, 0.0005164200000000 ] - [ 0.0031477200000000, 0.0010894600000000, 0.0008690300000000 ] - [ 0.0000227700000000, -0.0009318700000000, 0.0009022800000000 ] - [ -0.0000466300000000, -0.0000108800000000, -0.0005056400000000 ] - [ -0.0012003500000000, -0.0005559800000000, 0.0012687000000000 ] - [ 0.0000920600000000, -0.0002828000000000, -0.0009062200000000 ] - [ 0.0000920600000000, 0.0000426600000000, 0.0002629200000000 ] - [ 0.0002647900000000, -0.0016105600000000, -0.0025553700000000 ] - [ 0.0005488400000000, 0.0000312500000000, 0.0004116600000000 ] - [ 0.0001727000000000, 0.0000493400000000, -0.0002825700000000 ] - [ -0.0011120300000000, 0.0055751700000000, 0.0000912700000000 ] - [ 0.0000447500000000, -0.0005892200000000, 0.0002034900000000 ] - [ 0.0009821500000000, -0.0003677700000000, 0.0001260800000000 ] - [ -0.0035894600000000, -0.0028712300000000, 0.0025598000000000 ] - [ 0.0000889100000000, 0.0011046500000000, -0.0008098800000000 ] - [ -0.0069345800000000, 0.0004582600000000, 0.0045986200000000 ] - [ -0.0014579900000000, 0.0002534600000000, -0.0005914000000000 ] - [ 0.0007604600000000, 0.0005505700000000, -0.0003808100000000 ] - [ 0.0003646300000000, -0.0006603100000000, -0.0008689700000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003505400000000, -0.0001251400000000, -0.0010912700000000 ] - [ -0.0002049600000000, 0.0027967100000000, 0.0003572500000000 ] - [ -0.0000653100000000, 0.0003451700000000, -0.0005959800000000 ] - [ -0.0008081600000000, 0.0009543800000000, 0.0021672400000000 ] - [ -0.0013459300000000, 0.0015383200000000, -0.0020203600000000 ] - [ 0.0000394700000000, -0.0003651100000000, -0.0004000400000000 ] - [ 0.0017398100000000, -0.0163161400000000, 0.0018179500000000 ] - [ 0.0012793900000000, 0.0004854100000000, 0.0002093300000000 ] - [ -0.0001271800000000, 0.0001052400000000, 0.0005873400000000 ] - [ 0.0001463900000000, -0.0014730400000000, 0.0005956400000000 ] - [ -0.0038777900000000, -0.0063041800000000, -0.0020150900000000 ] - [ 0.0001198600000000, 0.0002106300000000, 0.0006764000000000 ] - [ -0.0007756200000000, -0.0017892500000000, -0.0015125200000000 ] - [ 0.0014066900000000, -0.0011492200000000, 0.0015564600000000 ] - [ 0.0002615300000000, -0.0000309000000000, 0.0005262600000000 ] - [ -0.0002304400000000, -0.0009923100000000, -0.0010668600000000 ] - [ 0.0170561300000000, -0.0039713000000000, -0.0110847900000000 ] - [ -0.0028309600000000, -0.0002991800000000, 0.0028450600000000 ] - [ 0.0007618600000000, 0.0000020300000000, -0.0023701500000000 ] - [ -0.0901436500000000, -0.0173421400000000, 0.2264170000000000 ] - [ -0.0004461200000000, -0.0005644100000000, 0.0003127500000000 ] - [ 0.0000642000000000, -0.0004896300000000, -0.0002816300000000 ] - [ -0.0002544000000000, 0.0003706700000000, 0.0003634200000000 ] - [ 0.0002662600000000, 0.0002761200000000, 0.0014273600000000 ] - [ 0.0041605100000000, 0.0061176600000000, 0.0025154500000000 ] - [ -0.0002750400000000, 0.0000686900000000, -0.0000254400000000 ] - [ 0.0021199700000000, 0.0009062300000000, -0.0017675500000000 ] - [ -0.0004474000000000, -0.0001204900000000, -0.0014136700000000 ] - [ 0.0002012600000000, 0.0003605500000000, 0.0002114900000000 ] - [ 0.0135594400000000, -0.0078169900000000, -0.0001528100000000 ] - [ -0.0007464100000000, 0.0003574900000000, 0.0005521900000000 ] - [ -0.0001403200000000, 0.0008772300000000, -0.0006018300000000 ] - [ -0.0002296600000000, -0.0002427700000000, 0.0012363800000000 ] - [ -0.0007257500000000, -0.0014136600000000, 0.0004222000000000 ] - [ 0.0001103200000000, -0.0011662500000000, -0.0006256600000000 ] - [ 0.0002994000000000, 0.0003406200000000, -0.0019026700000000 ] - [ 0.0000496600000000, 0.0005138300000000, 0.0000772100000000 ] - [ 0.0000677600000000, 0.0010460000000000, -0.0016661600000000 ] - [ -0.0027184200000000, 0.0034866700000000, 0.0026591800000000 ] - [ -0.0002743300000000, -0.0002157700000000, -0.0005461100000000 ] - [ 0.0007084400000000, 0.0001591500000000, 0.0003625300000000 ] - [ -0.0002241200000000, 0.0012841600000000, 0.0017870900000000 ] - [ -0.0000366100000000, 0.0001231600000000, -0.0014284400000000 ] - [ -0.0000161300000000, -0.0002746700000000, 0.0002396800000000 ] - [ 0.0000841200000000, -0.0002239800000000, 0.0012330400000000 ] - [ 0.0016510200000000, 0.0013900600000000, -0.0008319300000000 ] - [ -0.0016255900000000, 0.0017150200000000, -0.0008233800000000 ] - [ -0.0003844700000000, 0.0000775800000000, 0.0007625100000000 ] - [ -0.0004568300000000, 0.0007479700000000, 0.0026881100000000 ] - [ 0.0006020000000000, 0.0002753400000000, -0.0006302000000000 ] - [ 0.0054532400000000, 0.0149369500000000, -0.0171896700000000 ] - [ 0.0003558000000000, 0.0003107200000000, -0.0009736900000000 ] - [ 0.0004879600000000, 0.0003944100000000, 0.0008810600000000 ] - [ 0.0002777500000000, -0.0022334700000000, 0.0008920900000000 ] - [ 0.0002848200000000, -0.0001051500000000, -0.0000696800000000 ] - [ 0.0015211800000000, 0.0013518100000000, -0.0023267300000000 ] - [ -0.0005400100000000, 0.0016565100000000, -0.0031484300000000 ] - [ 0.0000516800000000, 0.0000030400000000, -0.0004670800000000 ] - [ 0.0000454600000000, -0.0003846200000000, -0.0004334800000000 ] - [ -0.0000542200000000, 0.0004807000000000, -0.0010191800000000 ] - [ -0.0000206900000000, -0.0002597900000000, 0.0001502200000000 ] - [ -0.0000063600000000, 0.0000525000000000, -0.0011131100000000 ] - [ 0.0002810900000000, -0.0003263500000000, -0.0015874400000000 ] - [ 0.0000478700000000, -0.0002427800000000, 0.0003726000000000 ] - [ 0.0005180000000000, -0.0000563300000000, -0.0003835000000000 ] - [ -0.0001091400000000, 0.0004193700000000, -0.0004252900000000 ] - [ 0.0003932700000000, -0.0000737500000000, 0.0002819600000000 ] - [ 0.0003551900000000, 0.0002496400000000, -0.0006638200000000 ] - [ -0.0024716300000000, -0.0009484000000000, -0.0019055400000000 ] - [ 0.0021132900000000, -0.0002455600000000, -0.0009554700000000 ] - [ -0.0018458900000000, -0.0004337800000000, -0.0013149700000000 ] - [ 0.0001782000000000, 0.0002737500000000, -0.0005278800000000 ] - [ 0.0003391500000000, 0.0004312600000000, -0.0003951200000000 ] - [ -0.0169202700000000, -0.0000103400000000, -0.0235809500000000 ] - [ 0.0006831300000000, 0.0000223300000000, 0.0001579500000000 ] - [ -0.0001868600000000, -0.0002135500000000, 0.0007769800000000 ] - [ 0.0008475800000000, -0.0001344600000000, -0.0013002900000000 ] - [ 0.0003974900000000, -0.0002216000000000, -0.0005578300000000 ] - [ -0.0006677300000000, 0.0001568100000000, -0.0008336600000000 ] - [ -0.0006672400000000, 0.0007122300000000, 0.0004313100000000 ] - [ -0.0003489900000000, -0.0000226600000000, -0.0004292500000000 ] - [ -0.0000663100000000, -0.0006044100000000, -0.0000872000000000 ] - [ 0.0004423200000000, -0.0007730200000000, -0.0001913400000000 ] - [ 0.0005642800000000, 0.0003835600000000, 0.0007785800000000 ] - [ 0.0001591400000000, 0.0003763700000000, -0.0008341800000000 ] - [ 0.0005344300000000, 0.0010822700000000, 0.0009657000000000 ] - [ 0.0001796700000000, -0.0002707900000000, -0.0008307500000000 ] - [ -0.0053104200000000, 0.0164988500000000, -0.0240416500000000 ] - [ -0.0000462800000000, 0.0003194500000000, -0.0004942700000000 ] - [ -0.0000258900000000, -0.0003541700000000, -0.0014280000000000 ] - [ 0.0009063900000000, -0.0014956000000000, 0.0017832200000000 ] - [ 0.0018991000000000, -0.0013951900000000, -0.0033005000000000 ] - [ -0.0005162700000000, -0.0002280000000000, -0.0018814700000000 ] - [ 0.0006011100000000, 0.0001406200000000, -0.0000858200000000 ] - [ -0.0005489000000000, 0.0004810000000000, -0.0000883300000000 ] - [ 0.0000449500000000, -0.0005694300000000, -0.0012315900000000 ] - [ 0.0474475800000000, 0.0345860400000000, -0.0814184000000000 ] - [ 0.0104959100000000, -0.0068634700000000, -0.0032582500000000 ] - [ -0.0009870600000000, -0.0020685000000000, 0.0030735800000000 ] - [ -0.0006142400000000, -0.0003320200000000, -0.0005707400000000 ] - [ -0.0008959400000000, -0.0004506100000000, -0.0011811000000000 ] - [ 0.0006478600000000, 0.0001058000000000, 0.0006937300000000 ] - [ 0.0008332800000000, 0.0007485700000000, -0.0023664900000000 ] - [ 0.0006214300000000, 0.0002323400000000, -0.0017190500000000 ] - [ -0.0007901700000000, -0.0005894600000000, 0.0002381900000000 ] - [ -0.0015992300000000, 0.0034144400000000, -0.0087789600000000 ] - [ -0.0004209600000000, 0.0031039500000000, 0.0021743600000000 ] - [ -0.0005524000000000, 0.0003196200000000, -0.0018354400000000 ] - [ -0.0013567600000000, 0.0002711000000000, 0.0014618500000000 ] - [ -0.0006726300000000, -0.0048136600000000, -0.0004168800000000 ] - [ 0.0014153100000000, -0.0013275100000000, 0.0025896200000000 ] - [ 0.0172167800000000, -0.0187044300000000, -0.0640493200000000 ] - [ 0.0002726300000000, 0.0000667700000000, 0.0012576900000000 ] - [ -0.0000268800000000, 0.0002928200000000, 0.0011781200000000 ] - [ -0.0004383300000000, -0.0012835300000000, 0.0004974500000000 ] - [ 0.0008041200000000, -0.0007330800000000, 0.0027441600000000 ] - [ -0.0018732200000000, -0.0001041100000000, 0.0026988200000000 ] - [ -0.0031726800000000, 0.0037704600000000, 0.0008963200000000 ] - [ 0.0004719900000000, 0.0015623500000000, 0.0009258700000000 ] - [ 0.0007823700000000, -0.0000936500000000, 0.0002095300000000 ] - [ 0.0033819200000000, -0.0074726400000000, 0.0052492300000000 ] - [ -0.0000803900000000, 0.0002542900000000, 0.0012963500000000 ] - [ 0.0000057900000000, 0.0003096500000000, 0.0001795700000000 ] - [ -0.0011116900000000, -0.0008719700000000, 0.0029904800000000 ] - [ -0.0000185200000000, -0.0006422000000000, -0.0007490700000000 ] - [ -0.0018067300000000, -0.0002136300000000, 0.0017480600000000 ] - [ 0.0007496200000000, -0.0002683800000000, -0.0017652200000000 ] - [ -0.0002613300000000, -0.0001115200000000, 0.0004601900000000 ] - [ -0.0000029100000000, 0.0000453900000000, -0.0006426600000000 ] - [ 0.0001287100000000, 0.0005054600000000, 0.0010908100000000 ] - [ -0.0013603400000000, 0.0041884600000000, -0.0024330300000000 ] - [ 0.0013685200000000, 0.0020101400000000, 0.0061232500000000 ] - [ -0.0004845600000000, 0.0003274300000000, -0.0003969100000000 ] - [ 0.0002456100000000, 0.0001537000000000, 0.0020391100000000 ] - [ 0.0003619100000000, -0.0017936600000000, -0.0061848900000000 ] - [ 0.0003198500000000, -0.0002596400000000, 0.0005371900000000 ] - [ -0.0001035400000000, 0.0007037500000000, 0.0056374100000000 ] - [ -0.0003676000000000, 0.0014796000000000, 0.0042820200000000 ] - [ -0.0002454500000000, 0.0002045800000000, 0.0003470700000000 ] - [ -0.0041125400000000, -0.0002325200000000, -0.0027758800000000 ] - [ 0.0001133000000000, 0.0004847900000000, 0.0005959800000000 ] - [ 0.0001266400000000, -0.0009275000000000, -0.0001612300000000 ] - [ -0.0020409300000000, -0.0010739200000000, -0.0005130600000000 ] - [ -0.0000120100000000, -0.0001783500000000, -0.0005395500000000 ] - [ 0.0000461800000000, 0.0000135200000000, 0.0005081500000000 ] - [ 0.0012054900000000, 0.0005599200000000, -0.0012688400000000 ] - [ -0.0000932700000000, 0.0002833700000000, 0.0009044600000000 ] - [ -0.0000933200000000, -0.0000427900000000, -0.0002640900000000 ] - [ -0.0002628600000000, 0.0016077900000000, 0.0016291300000000 ] - [ -0.0005522500000000, -0.0000313900000000, -0.0013304700000000 ] - [ -0.0001725900000000, -0.0000482500000000, 0.0012003600000000 ] - [ 0.0011109900000000, -0.0055480400000000, 0.0008271800000000 ] - [ -0.0000347700000000, -0.0005245400000000, -0.0005649400000000 ] - [ 0.0001315500000000, 0.0003771400000000, -0.0004886400000000 ] - [ 0.0024790200000000, 0.0028719800000000, -0.0029478200000000 ] - [ -0.0001000100000000, 0.0000066500000000, 0.0004479800000000 ] - [ 0.0069895800000000, 0.0006219500000000, -0.0041667300000000 ] - [ 0.0003404500000000, -0.0002640300000000, 0.0009544000000000 ] - [ 0.0003548000000000, -0.0005392600000000, 0.0007444600000000 ] - [ -0.0003549000000000, -0.0004520400000000, 0.0012289100000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0000512400000000, -0.0002234700000000, -0.0002462600000000 ] - [ -0.0000088500000000, 0.0005054300000000, -0.0003467000000000 ] - [ 0.0001712400000000, 0.0019990300000000, -0.0022563300000000 ] - [ 0.0032819300000000, -0.0126865000000000, 0.0012599200000000 ] - [ -0.0006161200000000, 0.0004110700000000, 0.0001468300000000 ] - [ -0.0001628400000000, -0.0003083800000000, 0.0001522100000000 ] - [ 0.0048026500000000, -0.0021679600000000, -0.0050343900000000 ] - [ 0.0143411600000000, 0.0089869500000000, -0.0103820700000000 ] - [ 0.0001992800000000, 0.0001643200000000, -0.0000403200000000 ] - [ -0.0005158500000000, 0.0007026800000000, -0.0000897300000000 ] - [ 0.0006772500000000, 0.0011785200000000, 0.0005551000000000 ] - [ 0.0003141100000000, -0.0004293700000000, 0.0000113700000000 ] - [ -0.0005428900000000, 0.0007959200000000, 0.0004131800000000 ] - [ -0.0002184300000000, -0.0008620400000000, -0.0002632800000000 ] - [ 0.0003142100000000, 0.0001935800000000, -0.0000185300000000 ] - [ 0.0004137300000000, 0.0005390200000000, 0.0004637700000000 ] - [ -0.0094857100000000, 0.0025619000000000, 0.0015148800000000 ] - [ -0.0018838700000000, -0.0067152800000000, 0.0057134300000000 ] - [ -0.0015189700000000, -0.0009204500000000, 0.0001648400000000 ] - [ 0.0063104200000000, 0.0070686200000000, -0.0043008000000000 ] - [ 0.0001266300000000, 0.0000618300000000, -0.0000861200000000 ] - [ -0.0004283200000000, -0.0001912200000000, 0.0001207900000000 ] - [ -0.0000316200000000, 0.0016677700000000, 0.0014191700000000 ] - [ 0.0019453900000000, -0.0006197100000000, 0.0000677600000000 ] - [ -0.1122972800000000, -0.0622823400000000, -0.0326973800000000 ] - [ 0.0004325900000000, 0.0001538300000000, 0.0000209200000000 ] - [ -0.0005300300000000, -0.0006165700000000, -0.0018597300000000 ] - [ -0.0004013400000000, -0.0003768900000000, 0.0002689300000000 ] - [ -0.0015576700000000, 0.0009389100000000, -0.0008877100000000 ] - [ 0.0026184300000000, -0.0005926300000000, -0.0008572700000000 ] - [ -0.0020439300000000, 0.0005919700000000, -0.0002561400000000 ] - [ -0.0004165200000000, 0.0002870000000000, 0.0001121100000000 ] - [ 0.0044704400000000, -0.0009801300000000, 0.0002377500000000 ] - [ -0.0013604200000000, -0.0007870200000000, 0.0016164500000000 ] - [ -0.0007393600000000, 0.0007161000000000, 0.0005742600000000 ] - [ 0.0003595100000000, 0.0004225200000000, 0.0004625000000000 ] - [ 0.0010139100000000, -0.0003614100000000, -0.0000029100000000 ] - [ -0.0009655800000000, 0.0002158700000000, -0.0003280000000000 ] - [ -0.0012356400000000, -0.0003243900000000, -0.0010475100000000 ] - [ -0.0000295600000000, -0.0001712300000000, -0.0002808400000000 ] - [ 0.0008349200000000, -0.0003477700000000, -0.0005584100000000 ] - [ -0.0015596500000000, 0.0136499400000000, 0.0079044200000000 ] - [ -0.0001132600000000, 0.0000224400000000, 0.0002627800000000 ] - [ -0.0001336100000000, 0.0002247300000000, -0.0000985300000000 ] - [ -0.0001132300000000, -0.0002249200000000, -0.0002930800000000 ] - [ -0.0047990100000000, -0.0013847600000000, -0.0001832400000000 ] - [ -0.0007849800000000, -0.0005893600000000, 0.0008050900000000 ] - [ -0.0009308200000000, 0.0005553700000000, 0.0000035100000000 ] - [ 0.0020006000000000, -0.0010911700000000, -0.0002587800000000 ] - [ 0.0012778200000000, -0.0009605200000000, -0.0019330600000000 ] - [ -0.0000404700000000, 0.0012860000000000, -0.0020625100000000 ] - [ 0.0004321900000000, 0.0002314300000000, -0.0004139300000000 ] - [ 0.0038239300000000, 0.0007455400000000, 0.0009542000000000 ] - [ 0.0001271500000000, -0.0015845100000000, -0.0005610000000000 ] - [ 0.0003372000000000, 0.0000737400000000, 0.0003387300000000 ] - [ 0.0001823800000000, 0.0000267200000000, 0.0001050900000000 ] - [ 0.0004528200000000, -0.0009266200000000, 0.0010983400000000 ] - [ 0.0005045400000000, 0.0001161200000000, 0.0002838400000000 ] - [ 0.0000739400000000, -0.0000618300000000, 0.0002632400000000 ] - [ -0.0007158300000000, -0.0003828000000000, 0.0000873700000000 ] - [ 0.0005118600000000, 0.0003235500000000, 0.0003304300000000 ] - [ 0.0002114300000000, -0.0004444300000000, 0.0002893200000000 ] - [ -0.0006239300000000, 0.0000460000000000, 0.0002390200000000 ] - [ 0.0013622800000000, 0.0006921900000000, 0.0017390400000000 ] - [ 0.0007368500000000, 0.0000123300000000, -0.0000917400000000 ] - [ 0.0003654800000000, 0.0004676700000000, -0.0000458900000000 ] - [ 0.0005405200000000, -0.0000943800000000, -0.0000004300000000 ] - [ 0.0004972300000000, 0.0004491900000000, -0.0004429900000000 ] - [ -0.0008305000000000, -0.0002017900000000, 0.0002670100000000 ] - [ 0.0012294000000000, -0.0003071900000000, 0.0000126700000000 ] - [ 0.0016974000000000, 0.0010124800000000, 0.0008722500000000 ] - [ -0.0000254300000000, 0.0000861400000000, 0.0001854700000000 ] - [ 0.0003497900000000, 0.0004427500000000, 0.0001251200000000 ] - [ -0.0028503500000000, 0.0006093500000000, -0.0010520000000000 ] - [ 0.0005967300000000, -0.0001533300000000, -0.0000250600000000 ] - [ 0.0009527800000000, -0.0001728000000000, 0.0001376100000000 ] - [ 0.0004384700000000, -0.0000868500000000, -0.0001679600000000 ] - [ -0.0002280700000000, 0.0004415300000000, -0.0001305000000000 ] - [ 0.0008775200000000, -0.0004427900000000, -0.0001413500000000 ] - [ 0.0018164400000000, 0.0000709900000000, -0.0003666800000000 ] - [ -0.0005580300000000, -0.0002002100000000, 0.0004922700000000 ] - [ 0.0008621300000000, -0.0001422600000000, 0.0003160900000000 ] - [ 0.0005990800000000, 0.0000942700000000, 0.0002621500000000 ] - [ 0.0006864600000000, 0.0013685600000000, 0.0002486000000000 ] - [ 0.0004478500000000, 0.0001167300000000, -0.0000750500000000 ] - [ 0.0002172400000000, 0.0006199600000000, -0.0005600300000000 ] - [ 0.0009026900000000, -0.0002196900000000, -0.0003488100000000 ] - [ 0.0094728400000000, 0.0035569000000000, 0.0083176900000000 ] - [ -0.0002584100000000, 0.0001205400000000, -0.0000333500000000 ] - [ 0.0001309500000000, 0.0003268300000000, 0.0003309600000000 ] - [ 0.0015742600000000, -0.0003273900000000, 0.0004645300000000 ] - [ 0.0002004700000000, 0.0001312700000000, -0.0007404600000000 ] - [ -0.0000935400000000, -0.0003593200000000, -0.0005513500000000 ] - [ 0.0004984100000000, -0.0000939000000000, -0.0001778500000000 ] - [ 0.0008288700000000, -0.0000852200000000, -0.0000857200000000 ] - [ 0.0001432300000000, -0.0001527900000000, 0.0000770400000000 ] - [ 0.0637456200000000, 0.0407707700000000, 0.0246650400000000 ] - [ 0.0049155700000000, 0.0018898500000000, 0.0003599700000000 ] - [ 0.0025122100000000, -0.0003442000000000, 0.0022566500000000 ] - [ -0.0015629400000000, -0.0000938000000000, 0.0010761200000000 ] - [ -0.0001788100000000, -0.0019483300000000, -0.0000790800000000 ] - [ 0.0006888400000000, -0.0010522400000000, -0.0010083700000000 ] - [ 0.0043717300000000, -0.0015245400000000, -0.0046659400000000 ] - [ -0.0030726300000000, 0.0016423500000000, 0.0010068800000000 ] - [ -0.0052546600000000, -0.0015526300000000, 0.0051482500000000 ] - [ -0.0044870200000000, 0.0036617400000000, 0.0016025000000000 ] - [ 0.0003254500000000, -0.0010472900000000, -0.0005584500000000 ] - [ -0.0005050400000000, 0.0004226900000000, 0.0000361100000000 ] - [ -0.0009002100000000, 0.0013865300000000, 0.0012671100000000 ] - [ 0.0209047500000000, 0.0033500800000000, 0.0010845900000000 ] - [ 0.0007894800000000, -0.0000452400000000, -0.0004898300000000 ] - [ -0.0020233500000000, -0.0004788100000000, 0.0070520000000000 ] - [ -0.0000522300000000, 0.0001166300000000, 0.0008022300000000 ] - [ -0.0011801300000000, 0.0005780800000000, 0.0008126200000000 ] - [ -0.0003715300000000, -0.0009084900000000, 0.0008198100000000 ] - [ -0.0000749800000000, -0.0000154900000000, 0.0005560600000000 ] - [ -0.0013697800000000, -0.0003457600000000, -0.0003827800000000 ] - [ -0.0019527900000000, 0.0001272800000000, -0.0005471400000000 ] - [ -0.0016168700000000, 0.0001491400000000, -0.0012349100000000 ] - [ 0.0012638200000000, 0.0001930800000000, -0.0008204000000000 ] - [ 0.0005890100000000, -0.0010411200000000, 0.0007699300000000 ] - [ -0.0001959700000000, 0.0000442300000000, 0.0000767700000000 ] - [ -0.0008205300000000, -0.0007550300000000, -0.0012816700000000 ] - [ 0.0006361300000000, 0.0005982600000000, -0.0007298900000000 ] - [ 0.0009262900000000, 0.0006435200000000, 0.0003088300000000 ] - [ -0.0006969900000000, -0.0002718900000000, 0.0000230800000000 ] - [ -0.0040063900000000, 0.0008651100000000, -0.0006815700000000 ] - [ -0.0004378300000000, -0.0014293300000000, 0.0004072500000000 ] - [ -0.0013574100000000, 0.0006549100000000, -0.0013272000000000 ] - [ 0.0004863300000000, 0.0000600500000000, -0.0003249600000000 ] - [ 0.0011161600000000, -0.0007247900000000, 0.0004549300000000 ] - [ -0.0000630900000000, -0.0009192000000000, -0.0034043500000000 ] - [ -0.0001282200000000, 0.0002481300000000, -0.0001702900000000 ] - [ 0.0000490700000000, -0.0002908300000000, -0.0007901400000000 ] - [ -0.0001253800000000, -0.0023825200000000, 0.0008241100000000 ] - [ -0.0002311400000000, 0.0001138300000000, 0.0002368100000000 ] - [ 0.0006634200000000, -0.0004676100000000, -0.0001096400000000 ] - [ 0.0016228300000000, 0.0002160100000000, -0.0008803800000000 ] - [ -0.0009987000000000, -0.0002205700000000, -0.0002591900000000 ] - [ 0.0065267400000000, 0.0027753500000000, -0.0000877400000000 ] - [ 0.0000746900000000, 0.0003404900000000, -0.0001850500000000 ] - [ 0.0000346700000000, -0.0005187600000000, 0.0003183500000000 ] - [ -0.0004856100000000, -0.0001937600000000, 0.0002179200000000 ] - [ 0.0011385400000000, 0.0000927000000000, 0.0001528900000000 ] - [ 0.0001235400000000, 0.0000160500000000, -0.0003142200000000 ] - [ -0.0009211000000000, -0.0001462800000000, 0.0001410600000000 ] - [ -0.0005976800000000, 0.0001170600000000, 0.0001056900000000 ] - [ -0.0005648600000000, -0.0004755900000000, -0.0002478100000000 ] - [ 0.0003844600000000, 0.0009128700000000, 0.0007351800000000 ] - [ -0.0026852400000000, -0.0012697600000000, -0.0022481400000000 ] - [ -0.0001386000000000, -0.0000241500000000, 0.0009543700000000 ] - [ -0.0006146000000000, 0.0024499600000000, -0.0015290200000000 ] - [ -0.0007747900000000, -0.0010582600000000, -0.0001626400000000 ] - [ -0.0002962000000000, 0.0000807800000000, -0.0001739100000000 ] - [ 0.0035176400000000, 0.0014994000000000, -0.0003852100000000 ] - [ -0.0001790800000000, 0.0005710100000000, -0.0001488100000000 ] - [ -0.0043442600000000, -0.0003282300000000, 0.0007491400000000 ] - [ -0.0018034600000000, 0.0003874300000000, 0.0001640500000000 ] - [ 0.0013716400000000, -0.0001319500000000, 0.0004799000000000 ] - [ -0.0005963900000000, -0.0003974700000000, 0.0001342400000000 ]- atom: 25 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0000249700000000, -0.0002354900000000, -0.0004659300000000 ] - [ 0.0004677400000000, -0.0005763400000000, -0.0003654500000000 ] - [ -0.0006307300000000, -0.0019329700000000, 0.0015577300000000 ] - [ -0.0033047400000000, 0.0130513800000000, -0.0019406100000000 ] - [ 0.0006904200000000, 0.0000491000000000, 0.0005634500000000 ] - [ -0.0002943200000000, 0.0003892600000000, 0.0005620100000000 ] - [ -0.0042917300000000, 0.0020469700000000, 0.0056671600000000 ] - [ -0.0146057300000000, -0.0095875300000000, 0.0112296500000000 ] - [ 0.0001864000000000, 0.0000646900000000, -0.0001353500000000 ] - [ 0.0002799300000000, -0.0003175300000000, -0.0000854900000000 ] - [ -0.0004491600000000, -0.0015540100000000, -0.0007247200000000 ] - [ -0.0006940900000000, 0.0002032600000000, -0.0001874600000000 ] - [ 0.0001528500000000, -0.0010188200000000, -0.0002378100000000 ] - [ 0.0004531400000000, 0.0004694700000000, 0.0004430600000000 ] - [ -0.0005388600000000, 0.0001907000000000, 0.0001942200000000 ] - [ -0.0000312800000000, -0.0003092400000000, -0.0002863600000000 ] - [ 0.0101461500000000, -0.0025308500000000, -0.0016319800000000 ] - [ 0.0018645400000000, 0.0074377500000000, -0.0058834200000000 ] - [ 0.0015534100000000, 0.0001925200000000, -0.0003192600000000 ] - [ -0.0059024100000000, -0.0065667600000000, 0.0039733400000000 ] - [ -0.0008440100000000, -0.0001013300000000, -0.0000616700000000 ] - [ 0.0004700800000000, -0.0005217400000000, 0.0000267500000000 ] - [ -0.0000071800000000, -0.0009462500000000, -0.0012691600000000 ] - [ -0.0012309500000000, 0.0006671100000000, 0.0000799700000000 ] - [ 0.1108847800000000, 0.0597523700000000, 0.0313597500000000 ] - [ -0.0008855100000000, -0.0001214400000000, 0.0001760900000000 ] - [ 0.0009951700000000, 0.0005740800000000, 0.0020722100000000 ] - [ 0.0003695000000000, -0.0000761500000000, -0.0000737300000000 ] - [ 0.0015351700000000, -0.0013711600000000, 0.0006862400000000 ] - [ -0.0021544600000000, 0.0005521700000000, 0.0006534000000000 ] - [ 0.0015902300000000, -0.0005528100000000, 0.0000581200000000 ] - [ 0.0004505000000000, 0.0001681800000000, -0.0003087200000000 ] - [ -0.0051488500000000, 0.0003727100000000, 0.0005084800000000 ] - [ 0.0019569200000000, 0.0001572100000000, -0.0008485300000000 ] - [ 0.0001365500000000, -0.0000782500000000, 0.0001745700000000 ] - [ 0.0002790600000000, 0.0001818400000000, 0.0002881400000000 ] - [ -0.0003790600000000, 0.0009720400000000, -0.0007514300000000 ] - [ 0.0003769300000000, 0.0004258500000000, -0.0004421900000000 ] - [ 0.0018327300000000, -0.0003105400000000, 0.0002963500000000 ] - [ -0.0006060900000000, -0.0004343100000000, -0.0004689400000000 ] - [ -0.0005542600000000, 0.0007007000000000, 0.0008080800000000 ] - [ 0.0012724300000000, -0.0133960600000000, -0.0076691300000000 ] - [ 0.0004623100000000, -0.0002956000000000, -0.0000167100000000 ] - [ -0.0001370200000000, -0.0005743000000000, 0.0003437900000000 ] - [ -0.0001620700000000, -0.0001219100000000, 0.0000457800000000 ] - [ 0.0051403000000000, 0.0011340400000000, -0.0002121900000000 ] - [ 0.0004338800000000, 0.0008634900000000, -0.0010522200000000 ] - [ 0.0002180800000000, -0.0005968600000000, 0.0001442100000000 ] - [ -0.0020914800000000, 0.0006192900000000, -0.0004574300000000 ] - [ -0.0008215500000000, 0.0008853900000000, 0.0012298500000000 ] - [ -0.0004177600000000, -0.0011995300000000, 0.0013356800000000 ] - [ -0.0003535500000000, 0.0002299200000000, -0.0002988200000000 ] - [ -0.0037636800000000, -0.0002914300000000, -0.0002458600000000 ] - [ -0.0005926800000000, 0.0016564700000000, 0.0012829300000000 ] - [ 0.0001248300000000, -0.0001529100000000, 0.0003742600000000 ] - [ -0.0002583900000000, -0.0004852000000000, 0.0006056600000000 ] - [ -0.0000702500000000, 0.0011456900000000, -0.0012663200000000 ] - [ -0.0007299600000000, 0.0002659400000000, -0.0004598500000000 ] - [ 0.0001581700000000, -0.0003224400000000, -0.0004404600000000 ] - [ 0.0003228400000000, 0.0001560800000000, -0.0002701100000000 ] - [ -0.0008925100000000, -0.0005522500000000, -0.0001553000000000 ] - [ 0.0000141600000000, 0.0000590800000000, -0.0001137400000000 ] - [ 0.0003923700000000, 0.0003360400000000, -0.0000643200000000 ] - [ -0.0009774000000000, -0.0004700700000000, -0.0015667500000000 ] - [ -0.0000221600000000, 0.0000303800000000, -0.0000548600000000 ] - [ -0.0004106400000000, 0.0002455100000000, -0.0001010600000000 ] - [ -0.0004977500000000, -0.0006201700000000, -0.0001474700000000 ] - [ -0.0002221400000000, -0.0000999800000000, 0.0001978800000000 ] - [ 0.0001163500000000, 0.0001563900000000, -0.0004123900000000 ] - [ -0.0011840500000000, -0.0004079200000000, 0.0001324700000000 ] - [ -0.0017323800000000, -0.0002942500000000, -0.0007194900000000 ] - [ 0.0007413400000000, -0.0000433100000000, -0.0000372000000000 ] - [ -0.0003160200000000, 0.0000083500000000, 0.0000717300000000 ] - [ 0.0023856800000000, -0.0005821100000000, 0.0012428100000000 ] - [ -0.0001469100000000, 0.0001210500000000, 0.0002229600000000 ] - [ -0.0009897600000000, -0.0002834200000000, 0.0000594800000000 ] - [ -0.0004713900000000, -0.0003641500000000, -0.0000308900000000 ] - [ 0.0006864100000000, -0.0004773900000000, -0.0000670900000000 ] - [ -0.0013283600000000, 0.0004778000000000, -0.0000528500000000 ] - [ -0.0017844500000000, 0.0003769600000000, 0.0001720700000000 ] - [ -0.0000845400000000, -0.0004020700000000, 0.0002612300000000 ] - [ -0.0002550000000000, -0.0004939600000000, 0.0004365100000000 ] - [ -0.0012008800000000, 0.0005412500000000, 0.0004875600000000 ] - [ -0.0000411100000000, -0.0007626500000000, 0.0004996000000000 ] - [ 0.0001943800000000, 0.0004875900000000, -0.0006759900000000 ] - [ -0.0008192000000000, 0.0000235700000000, -0.0001951900000000 ] - [ -0.0002969900000000, -0.0004192400000000, -0.0004006400000000 ] - [ -0.0099463900000000, -0.0041094200000000, -0.0088822000000000 ] - [ 0.0005296300000000, 0.0002291400000000, 0.0002824900000000 ] - [ -0.0004791200000000, -0.0000500400000000, -0.0000801700000000 ] - [ -0.0012265300000000, 0.0000504900000000, -0.0002182200000000 ] - [ -0.0004733600000000, -0.0004784300000000, 0.0009827600000000 ] - [ -0.0001771000000000, 0.0000078600000000, 0.0003080900000000 ] - [ -0.0001487400000000, -0.0001800900000000, -0.0000714800000000 ] - [ -0.0011808300000000, 0.0003575000000000, -0.0001611100000000 ] - [ -0.0008587500000000, 0.0001118200000000, 0.0000713700000000 ] - [ -0.0607955000000000, -0.0375737200000000, -0.0218691100000000 ] - [ -0.0054496300000000, -0.0007297500000000, 0.0011709400000000 ] - [ -0.0019923700000000, -0.0007677400000000, -0.0006894900000000 ] - [ 0.0004107600000000, -0.0004656200000000, 0.0004495600000000 ] - [ -0.0009891300000000, 0.0013874000000000, -0.0014477100000000 ] - [ -0.0001303700000000, -0.0001072200000000, -0.0005172300000000 ] - [ -0.0049152900000000, 0.0026535600000000, 0.0031141200000000 ] - [ 0.0042365500000000, -0.0010936400000000, -0.0025452300000000 ] - [ 0.0052545100000000, 0.0015544700000000, -0.0051559500000000 ] - [ 0.0045069000000000, -0.0035924800000000, -0.0016336500000000 ] - [ -0.0003166400000000, 0.0010404400000000, 0.0005554700000000 ] - [ 0.0005000600000000, -0.0004227700000000, -0.0000380500000000 ] - [ 0.0008927900000000, -0.0013911700000000, -0.0012695000000000 ] - [ -0.0209206800000000, -0.0033663300000000, -0.0010829500000000 ] - [ -0.0007874000000000, 0.0000441200000000, 0.0004901200000000 ] - [ 0.0020123700000000, 0.0004880200000000, -0.0069966300000000 ] - [ 0.0012102700000000, 0.0004403100000000, 0.0007266500000000 ] - [ 0.0006229900000000, 0.0005841800000000, 0.0007145100000000 ] - [ 0.0009289800000000, -0.0002564700000000, 0.0007137500000000 ] - [ -0.0010888000000000, -0.0005425100000000, 0.0009708900000000 ] - [ 0.0002096000000000, -0.0002130600000000, -0.0011430500000000 ] - [ 0.0025051100000000, -0.0012802200000000, -0.0009750200000000 ] - [ 0.0010560300000000, 0.0010077700000000, -0.0002974600000000 ] - [ -0.0001005900000000, 0.0003628600000000, -0.0007087500000000 ] - [ -0.0005845500000000, 0.0010347500000000, -0.0007650500000000 ] - [ 0.0001953800000000, -0.0000464400000000, -0.0000791700000000 ] - [ 0.0008162200000000, 0.0007578800000000, 0.0012820900000000 ] - [ -0.0006265400000000, -0.0005911100000000, 0.0007323900000000 ] - [ -0.0009202800000000, -0.0006496700000000, -0.0003102000000000 ] - [ 0.0006949100000000, 0.0002698600000000, -0.0000234400000000 ] - [ 0.0040148300000000, -0.0008611900000000, 0.0006824600000000 ] - [ 0.0004358700000000, 0.0014351300000000, -0.0004070300000000 ] - [ 0.0013520300000000, -0.0006595800000000, 0.0013353400000000 ] - [ -0.0004854900000000, -0.0000595000000000, 0.0003244700000000 ] - [ -0.0011174400000000, 0.0007320400000000, -0.0004598500000000 ] - [ 0.0000708100000000, 0.0009112700000000, 0.0033773700000000 ] - [ 0.0001252200000000, -0.0002500800000000, -0.0007455300000000 ] - [ -0.0000471600000000, 0.0002894300000000, -0.0001255200000000 ] - [ 0.0001255600000000, 0.0023610500000000, 0.0000914400000000 ] - [ 0.0002299500000000, -0.0001143400000000, 0.0006797800000000 ] - [ -0.0006483500000000, -0.0006437100000000, -0.0002480000000000 ] - [ -0.0005117500000000, -0.0002038700000000, 0.0005238400000000 ] - [ -0.0001135300000000, 0.0002087500000000, -0.0001025900000000 ] - [ -0.0069399300000000, -0.0013111800000000, -0.0001033600000000 ] - [ -0.0000870900000000, 0.0007711200000000, 0.0005450800000000 ] - [ -0.0011463000000000, 0.0005040800000000, 0.0000437300000000 ] - [ 0.0015953000000000, 0.0002009300000000, 0.0001461800000000 ] - [ -0.0011268900000000, -0.0012119800000000, 0.0002092300000000 ] - [ -0.0001207200000000, -0.0000188000000000, 0.0003155600000000 ] - [ 0.0009190300000000, 0.0001420200000000, -0.0001414200000000 ] - [ 0.0005975900000000, -0.0001156000000000, -0.0001049500000000 ] - [ 0.0005610500000000, 0.0004741200000000, 0.0002478000000000 ] - [ -0.0003782500000000, -0.0009039500000000, -0.0016458000000000 ] - [ 0.0026809300000000, 0.0012840200000000, 0.0013422700000000 ] - [ 0.0001326200000000, 0.0000244400000000, -0.0000406400000000 ] - [ 0.0006336200000000, -0.0024272700000000, 0.0024461800000000 ] - [ 0.0007838200000000, -0.0000531400000000, -0.0001981600000000 ] - [ 0.0014097200000000, -0.0000685300000000, -0.0001873100000000 ] - [ -0.0046199300000000, -0.0014906800000000, 0.0000277800000000 ] - [ 0.0001706000000000, 0.0005416800000000, -0.0002124300000000 ] - [ 0.0043136600000000, 0.0014353100000000, -0.0003849800000000 ] - [ 0.0006900000000000, -0.0003956100000000, 0.0001946700000000 ] - [ -0.0002636800000000, 0.0001279700000000, -0.0001106800000000 ] - [ 0.0006045000000000, -0.0007158700000000, 0.0002280100000000 ]- atom: 25 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002842500000000, 0.0001197100000000, -0.0004506400000000 ] - [ 0.0001726500000000, 0.0016385500000000, -0.0001772200000000 ] - [ 0.0003233600000000, 0.0012678300000000, -0.0015667900000000 ] - [ -0.0185251700000000, 0.0146805000000000, -0.0003004200000000 ] - [ 0.0000005000000000, 0.0006544000000000, 0.0001216100000000 ] - [ -0.0005630200000000, 0.0000717400000000, 0.0006795400000000 ] - [ -0.0013264000000000, -0.0049787100000000, 0.0022976700000000 ] - [ 0.0113289200000000, 0.0021249200000000, -0.0073620300000000 ] - [ 0.0001713600000000, 0.0013784600000000, -0.0005617700000000 ] - [ 0.0008353100000000, 0.0024065900000000, 0.0000065100000000 ] - [ 0.0010273200000000, 0.0008331400000000, 0.0006549600000000 ] - [ -0.0007280000000000, 0.0004051000000000, -0.0004141800000000 ] - [ 0.0013734000000000, 0.0007837100000000, 0.0015924300000000 ] - [ -0.0021245700000000, 0.0014191400000000, -0.0007161200000000 ] - [ -0.0008105000000000, 0.0013081600000000, 0.0002523700000000 ] - [ 0.0006894500000000, 0.0013846000000000, 0.0005918000000000 ] - [ 0.0011115700000000, 0.0244174800000000, 0.0167736600000000 ] - [ -0.0046853600000000, 0.0052761900000000, -0.0092538600000000 ] - [ -0.0003124500000000, -0.0031270500000000, 0.0000225800000000 ] - [ 0.0120170300000000, 0.0058232400000000, -0.0060260000000000 ] - [ -0.0007732400000000, 0.0009630700000000, -0.0001854700000000 ] - [ 0.0002242200000000, 0.0010550000000000, -0.0001771300000000 ] - [ 0.0008783600000000, 0.0032248700000000, 0.0025323300000000 ] - [ 0.0006807100000000, -0.0002682300000000, 0.0001609800000000 ] - [ -0.0617803100000000, -0.1925394600000000, -0.0030292900000000 ] - [ -0.0000055700000000, 0.0003878400000000, -0.0000486800000000 ] - [ -0.0002298200000000, -0.0026378600000000, 0.0019060100000000 ] - [ -0.0001654100000000, -0.0006575300000000, 0.0001002600000000 ] - [ 0.0011430300000000, 0.0037861600000000, -0.0020571400000000 ] - [ 0.0019149700000000, -0.0018361500000000, -0.0009206000000000 ] - [ -0.0019091400000000, 0.0023982300000000, 0.0009143900000000 ] - [ 0.0000760900000000, 0.0015608000000000, 0.0001662500000000 ] - [ -0.0014071000000000, -0.0017772400000000, 0.0006498400000000 ] - [ -0.0009825500000000, -0.0005850600000000, 0.0032686300000000 ] - [ -0.0009165700000000, 0.0028950800000000, 0.0018952300000000 ] - [ 0.0005365600000000, -0.0000224500000000, 0.0006183000000000 ] - [ -0.0010742000000000, 0.0021141700000000, -0.0012224900000000 ] - [ 0.0008709100000000, -0.0002103400000000, -0.0022086100000000 ] - [ 0.0001851200000000, 0.0014785200000000, -0.0016897200000000 ] - [ -0.0000905300000000, 0.0001685600000000, -0.0003071900000000 ] - [ -0.0003926500000000, -0.0003052100000000, 0.0006085700000000 ] - [ 0.0047287000000000, 0.0213935000000000, 0.0132850500000000 ] - [ 0.0001837100000000, 0.0004799900000000, 0.0005704200000000 ] - [ 0.0001817700000000, 0.0009733700000000, -0.0004594300000000 ] - [ -0.0004382600000000, 0.0008727400000000, -0.0001120700000000 ] - [ -0.0000791400000000, -0.0022741100000000, -0.0165983500000000 ] - [ -0.0003232000000000, 0.0015979000000000, -0.0020138700000000 ] - [ -0.0006612200000000, 0.0022783800000000, 0.0000948200000000 ] - [ -0.0025502000000000, -0.0018568000000000, -0.0010047000000000 ] - [ 0.0007922500000000, -0.0017721700000000, -0.0016589400000000 ] - [ 0.0003196500000000, 0.0015415800000000, -0.0023744600000000 ] - [ -0.0000602300000000, 0.0004101800000000, -0.0003264200000000 ] - [ 0.0026152900000000, 0.0003073100000000, 0.0007741000000000 ] - [ -0.0015098100000000, 0.0004939700000000, 0.0020333200000000 ] - [ 0.0001228100000000, 0.0006947100000000, 0.0002291500000000 ] - [ 0.0002720100000000, 0.0002364900000000, 0.0000507500000000 ] - [ -0.0000054900000000, -0.0009049000000000, 0.0003163600000000 ] - [ 0.0002715000000000, -0.0002765000000000, 0.0001495500000000 ] - [ 0.0004940900000000, -0.0003362900000000, -0.0000293300000000 ] - [ -0.0010001400000000, 0.0000698900000000, -0.0010263000000000 ] - [ 0.0002667400000000, -0.0001973800000000, 0.0004422500000000 ] - [ -0.0001140400000000, -0.0003301300000000, 0.0001169100000000 ] - [ -0.0003755400000000, -0.0004634100000000, 0.0002547100000000 ] - [ 0.0010518100000000, -0.0013201400000000, 0.0008968500000000 ] - [ 0.0004138100000000, 0.0002074100000000, -0.0000063000000000 ] - [ -0.0000498600000000, 0.0007160200000000, -0.0002361100000000 ] - [ 0.0002287900000000, 0.0002786300000000, 0.0000155300000000 ] - [ 0.0003412000000000, 0.0005650000000000, -0.0003297800000000 ] - [ -0.0003796400000000, -0.0010952500000000, -0.0002334400000000 ] - [ 0.0003536800000000, -0.0008498300000000, -0.0001277800000000 ] - [ 0.0006752200000000, 0.0002745300000000, 0.0005173800000000 ] - [ 0.0001712800000000, 0.0005937600000000, 0.0001838000000000 ] - [ 0.0002330800000000, 0.0007580300000000, 0.0000961100000000 ] - [ 0.0002252700000000, -0.0007523000000000, -0.0019219500000000 ] - [ 0.0000078600000000, 0.0006417800000000, 0.0001841500000000 ] - [ 0.0000379900000000, 0.0001954100000000, 0.0002083700000000 ] - [ 0.0001209900000000, -0.0003364300000000, -0.0002163500000000 ] - [ -0.0000456400000000, 0.0010858500000000, -0.0000132400000000 ] - [ 0.0000433700000000, -0.0004417700000000, 0.0000550800000000 ] - [ -0.0001368100000000, -0.0010548100000000, -0.0000751300000000 ] - [ -0.0005095100000000, 0.0003160700000000, 0.0006169900000000 ] - [ 0.0004033000000000, -0.0001148900000000, 0.0005279700000000 ] - [ -0.0004386400000000, -0.0004299500000000, 0.0003415900000000 ] - [ 0.0015068200000000, 0.0018403700000000, 0.0000464400000000 ] - [ 0.0001197600000000, 0.0000314400000000, -0.0009634900000000 ] - [ 0.0000109300000000, 0.0010961900000000, -0.0006548700000000 ] - [ 0.0004831600000000, -0.0003813600000000, -0.0005288200000000 ] - [ 0.0040926900000000, -0.0042163300000000, 0.0028696700000000 ] - [ -0.0000446900000000, 0.0008284100000000, 0.0007716200000000 ] - [ -0.0000162900000000, 0.0002733800000000, 0.0002968000000000 ] - [ 0.0002714200000000, -0.0010011200000000, 0.0006444800000000 ] - [ -0.0000466700000000, -0.0009456800000000, 0.0000344800000000 ] - [ -0.0003549300000000, -0.0008590700000000, -0.0000220800000000 ] - [ 0.0002020400000000, 0.0002464300000000, -0.0001741500000000 ] - [ -0.0001562600000000, 0.0000499100000000, -0.0005830100000000 ] - [ -0.0001520900000000, -0.0004535100000000, 0.0000295400000000 ] - [ 0.0451476700000000, 0.0668541300000000, 0.0217800200000000 ] - [ -0.0019262000000000, -0.0024726000000000, 0.0042228400000000 ] - [ -0.0032888600000000, 0.0076554400000000, 0.0046865500000000 ] - [ 0.0005515600000000, -0.0016715200000000, 0.0004937700000000 ] - [ -0.0017471500000000, -0.0040509100000000, -0.0000047300000000 ] - [ -0.0004354800000000, -0.0032494500000000, -0.0015796700000000 ] - [ 0.0052502400000000, -0.0049172500000000, -0.0093984900000000 ] - [ 0.0010592400000000, 0.0012562000000000, -0.0012958100000000 ] - [ -0.0039369900000000, -0.0007373800000000, 0.0039215100000000 ] - [ 0.0085694100000000, 0.0049874300000000, -0.0066508900000000 ] - [ -0.0013721000000000, -0.0019806600000000, -0.0010017900000000 ] - [ 0.0011501600000000, -0.0018431200000000, 0.0010927000000000 ] - [ 0.0010400600000000, 0.0016118600000000, -0.0003729700000000 ] - [ 0.0048259600000000, 0.0444369000000000, -0.0128344100000000 ] - [ -0.0000501600000000, -0.0010929700000000, 0.0005475700000000 ] - [ -0.0030687300000000, 0.0056553500000000, 0.0070682600000000 ] - [ 0.0002637800000000, -0.0002187300000000, 0.0006960100000000 ] - [ -0.0003729200000000, 0.0003163300000000, 0.0011936300000000 ] - [ 0.0001990900000000, -0.0018278800000000, 0.0009169200000000 ] - [ -0.0005240800000000, 0.0005978300000000, 0.0010515300000000 ] - [ -0.0009904600000000, 0.0001943800000000, -0.0005470300000000 ] - [ -0.0003173800000000, 0.0012632800000000, -0.0006515800000000 ] - [ -0.0006881600000000, 0.0005072400000000, -0.0011675800000000 ] - [ 0.0007301600000000, -0.0008806600000000, -0.0011334300000000 ] - [ 0.0001933400000000, -0.0017276000000000, 0.0007525300000000 ] - [ 0.0003730700000000, -0.0005553800000000, -0.0002004900000000 ] - [ -0.0005946900000000, 0.0003582600000000, -0.0006586100000000 ] - [ 0.0008258100000000, 0.0009101400000000, 0.0003049000000000 ] - [ 0.0013821200000000, -0.0025353900000000, -0.0012233700000000 ] - [ -0.0003112200000000, -0.0004639900000000, 0.0000009700000000 ] - [ -0.0000681400000000, 0.0010838200000000, -0.0000737700000000 ] - [ -0.0002153100000000, -0.0017069400000000, 0.0006389000000000 ] - [ 0.0015277900000000, 0.0015063100000000, 0.0006343300000000 ] - [ -0.0000544800000000, 0.0005786800000000, -0.0004363800000000 ] - [ 0.0015682600000000, -0.0063500600000000, 0.0015282800000000 ] - [ -0.0004762600000000, 0.0008493900000000, -0.0016975900000000 ] - [ 0.0008306700000000, -0.0007612900000000, -0.0009724300000000 ] - [ -0.0002645500000000, -0.0005955900000000, -0.0010302800000000 ] - [ -0.0011208700000000, -0.0032060100000000, 0.0010758800000000 ] - [ 0.0003128600000000, -0.0006200700000000, 0.0007325100000000 ] - [ 0.0000438400000000, 0.0002185100000000, 0.0003831500000000 ] - [ 0.0016269200000000, -0.0002988800000000, -0.0052698200000000 ] - [ -0.0007868400000000, -0.0006776200000000, -0.0001781700000000 ] - [ 0.0011263100000000, 0.0077078800000000, 0.0006261800000000 ] - [ -0.0002314900000000, -0.0001020600000000, -0.0005846200000000 ] - [ -0.0003068500000000, -0.0026845500000000, 0.0004183100000000 ] - [ 0.0002607100000000, -0.0000474400000000, 0.0004179000000000 ] - [ 0.0002183400000000, -0.0044979400000000, 0.0010960600000000 ] - [ 0.0001205400000000, -0.0010539200000000, 0.0003541500000000 ] - [ -0.0004399900000000, -0.0006325500000000, 0.0000066300000000 ] - [ -0.0000933900000000, 0.0002536900000000, 0.0000129500000000 ] - [ -0.0009802100000000, -0.0011680600000000, -0.0002740700000000 ] - [ 0.0008078100000000, 0.0006844700000000, -0.0010948300000000 ] - [ -0.0033908300000000, 0.0010907700000000, -0.0014982000000000 ] - [ -0.0004821100000000, 0.0002814800000000, 0.0008099900000000 ] - [ 0.0028003300000000, 0.0022548800000000, 0.0027035200000000 ] - [ -0.0004192900000000, -0.0016168500000000, -0.0001036100000000 ] - [ 0.0006612600000000, -0.0001071200000000, -0.0004172200000000 ] - [ 0.0002371000000000, 0.0067653900000000, -0.0013892100000000 ] - [ 0.0000882500000000, 0.0001475300000000, -0.0002415200000000 ] - [ -0.0027257000000000, 0.0015930500000000, -0.0003499500000000 ] - [ -0.0008965900000000, 0.0007399300000000, 0.0001690100000000 ] - [ 0.0004674900000000, -0.0016862600000000, 0.0016376900000000 ] - [ 0.0000485600000000, -0.0000867900000000, 0.0002549700000000 ]- atom: 25 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002073700000000, -0.0005812100000000, -0.0002610500000000 ] - [ 0.0002874900000000, -0.0017232200000000, -0.0005395700000000 ] - [ -0.0007848600000000, -0.0011948200000000, 0.0008589000000000 ] - [ 0.0189606200000000, -0.0144849800000000, -0.0003926300000000 ] - [ 0.0000770800000000, -0.0001968300000000, 0.0005936300000000 ] - [ 0.0001016100000000, 0.0000047000000000, 0.0000352000000000 ] - [ 0.0017373500000000, 0.0049307900000000, -0.0015574800000000 ] - [ -0.0115232000000000, -0.0025667500000000, 0.0081429200000000 ] - [ 0.0002115000000000, -0.0011548500000000, 0.0003860600000000 ] - [ -0.0010564200000000, -0.0020209500000000, -0.0001827300000000 ] - [ -0.0007976400000000, -0.0012240600000000, -0.0008310200000000 ] - [ 0.0003442900000000, -0.0006349500000000, 0.0002378000000000 ] - [ -0.0017443600000000, -0.0010148300000000, -0.0014112500000000 ] - [ 0.0023459900000000, -0.0018084400000000, 0.0008869000000000 ] - [ 0.0005831600000000, -0.0009270100000000, -0.0000773300000000 ] - [ -0.0003043100000000, -0.0011586700000000, -0.0004156500000000 ] - [ -0.0003949800000000, -0.0239602600000000, -0.0165572400000000 ] - [ 0.0045791300000000, -0.0045883100000000, 0.0090284200000000 ] - [ 0.0003589300000000, 0.0024082500000000, -0.0001663600000000 ] - [ -0.0115981300000000, -0.0054158600000000, 0.0057187700000000 ] - [ 0.0000572300000000, -0.0010041400000000, 0.0000361000000000 ] - [ -0.0001827800000000, -0.0017705200000000, 0.0003278600000000 ] - [ -0.0009265700000000, -0.0025286400000000, -0.0024078800000000 ] - [ 0.0000371800000000, 0.0003059100000000, -0.0000128900000000 ] - [ 0.0602748300000000, 0.1952021900000000, -0.0005182600000000 ] - [ -0.0004443900000000, -0.0003565700000000, 0.0002467000000000 ] - [ 0.0006827700000000, 0.0025953200000000, -0.0017138300000000 ] - [ 0.0001322100000000, 0.0002046800000000, 0.0000980700000000 ] - [ -0.0011679500000000, -0.0042118300000000, 0.0018631500000000 ] - [ -0.0014604100000000, 0.0017955400000000, 0.0007210000000000 ] - [ 0.0014683400000000, -0.0023751900000000, -0.0011174100000000 ] - [ -0.0000405700000000, -0.0011118200000000, -0.0003653800000000 ] - [ 0.0007830700000000, 0.0011773500000000, 0.0001029600000000 ] - [ 0.0015954300000000, -0.0000322800000000, -0.0025235800000000 ] - [ 0.0003047600000000, -0.0022439300000000, -0.0011367800000000 ] - [ 0.0001043800000000, 0.0006253100000000, 0.0001352700000000 ] - [ 0.0017239000000000, -0.0015175000000000, 0.0004746400000000 ] - [ -0.0014721500000000, 0.0008507800000000, 0.0014517400000000 ] - [ 0.0004168000000000, -0.0021266500000000, 0.0009302700000000 ] - [ -0.0005521400000000, -0.0007745700000000, -0.0004466200000000 ] - [ 0.0006671400000000, 0.0006538700000000, -0.0003641700000000 ] - [ -0.0052679700000000, -0.0215302100000000, -0.0133081400000000 ] - [ 0.0001666400000000, -0.0007550800000000, -0.0003179300000000 ] - [ -0.0004590300000000, -0.0013239600000000, 0.0007130900000000 ] - [ 0.0001697400000000, -0.0012247200000000, -0.0001343100000000 ] - [ 0.0004432300000000, 0.0020697700000000, 0.0164223900000000 ] - [ -0.0000276200000000, -0.0013298900000000, 0.0017710200000000 ] - [ -0.0000527500000000, -0.0023267700000000, 0.0000532600000000 ] - [ 0.0024855900000000, 0.0014105700000000, 0.0002901100000000 ] - [ -0.0003382300000000, 0.0016998400000000, 0.0009544500000000 ] - [ -0.0007814600000000, -0.0014647400000000, 0.0016575600000000 ] - [ 0.0001383700000000, 0.0000482900000000, -0.0003866400000000 ] - [ -0.0025499100000000, 0.0001503300000000, -0.0000626700000000 ] - [ 0.0010579500000000, -0.0004083900000000, -0.0013324500000000 ] - [ 0.0003370000000000, -0.0007740000000000, 0.0004849400000000 ] - [ -0.0003511000000000, -0.0006978300000000, 0.0006634600000000 ] - [ 0.0003883000000000, 0.0011380500000000, -0.0004967800000000 ] - [ -0.0004988600000000, 0.0006611100000000, -0.0003242300000000 ] - [ -0.0002673000000000, -0.0000449400000000, -0.0001463000000000 ] - [ 0.0006144500000000, -0.0002926800000000, 0.0008509700000000 ] - [ -0.0006511200000000, -0.0000264200000000, -0.0002696200000000 ] - [ 0.0003403000000000, -0.0000518800000000, 0.0000568500000000 ] - [ 0.0001494000000000, 0.0008480500000000, -0.0000789800000000 ] - [ -0.0006612200000000, 0.0015572200000000, -0.0007176200000000 ] - [ 0.0003016400000000, -0.0001673500000000, -0.0001417300000000 ] - [ 0.0000072500000000, -0.0000023700000000, 0.0000902000000000 ] - [ -0.0001904700000000, -0.0009972900000000, -0.0001658800000000 ] - [ -0.0000668600000000, -0.0002164200000000, 0.0000807000000000 ] - [ -0.0003347000000000, 0.0010527900000000, 0.0000884800000000 ] - [ -0.0003131800000000, 0.0001341900000000, 0.0002769800000000 ] - [ -0.0007227700000000, 0.0004361000000000, -0.0003723400000000 ] - [ 0.0005477000000000, -0.0005546700000000, -0.0000343800000000 ] - [ -0.0002002600000000, -0.0003065200000000, 0.0000998500000000 ] - [ -0.0006875600000000, 0.0007728400000000, 0.0021241700000000 ] - [ 0.0004478300000000, -0.0006787300000000, 0.0000117600000000 ] - [ -0.0000739400000000, -0.0006478100000000, -0.0000096200000000 ] - [ -0.0001564500000000, -0.0001188800000000, 0.0000207400000000 ] - [ 0.0004958600000000, -0.0011184300000000, -0.0001827200000000 ] - [ -0.0005002800000000, 0.0004774100000000, -0.0002533800000000 ] - [ 0.0001705300000000, 0.0015094600000000, -0.0001227000000000 ] - [ -0.0001329600000000, -0.0009202600000000, 0.0001383300000000 ] - [ 0.0002004500000000, -0.0005295200000000, 0.0002267100000000 ] - [ -0.0001680900000000, 0.0010730900000000, 0.0004128900000000 ] - [ -0.0008740900000000, -0.0012383600000000, 0.0007064900000000 ] - [ 0.0005204100000000, 0.0005729800000000, 0.0002113100000000 ] - [ -0.0006139300000000, -0.0004562200000000, -0.0001008000000000 ] - [ 0.0001220300000000, -0.0002559500000000, -0.0002210600000000 ] - [ -0.0047594900000000, 0.0035783800000000, -0.0036445100000000 ] - [ 0.0003167200000000, -0.0004782500000000, -0.0005295700000000 ] - [ -0.0003330400000000, -0.0000030600000000, -0.0000514800000000 ] - [ 0.0000780300000000, 0.0007301600000000, -0.0003979900000000 ] - [ -0.0002300300000000, 0.0005934400000000, 0.0002176400000000 ] - [ 0.0000827200000000, 0.0005082900000000, -0.0002252600000000 ] - [ 0.0001466400000000, -0.0005209700000000, -0.0000725100000000 ] - [ -0.0001949000000000, 0.0002269100000000, 0.0003332800000000 ] - [ -0.0005649000000000, 0.0004130100000000, 0.0001189600000000 ] - [ -0.0413353200000000, -0.0643664200000000, -0.0188228300000000 ] - [ 0.0013877000000000, 0.0036442300000000, -0.0026939900000000 ] - [ 0.0038444900000000, -0.0088046100000000, -0.0031443700000000 ] - [ -0.0017182400000000, 0.0011135800000000, 0.0010354400000000 ] - [ 0.0005904800000000, 0.0034999100000000, -0.0015340400000000 ] - [ 0.0009930500000000, 0.0020883100000000, 0.0000456500000000 ] - [ -0.0058463500000000, 0.0060883400000000, 0.0079227300000000 ] - [ 0.0000958000000000, -0.0006951100000000, -0.0002243100000000 ] - [ 0.0039331000000000, 0.0007443600000000, -0.0039222200000000 ] - [ -0.0085893600000000, -0.0050565100000000, 0.0067039200000000 ] - [ 0.0013638100000000, 0.0019811700000000, 0.0010009400000000 ] - [ -0.0011509200000000, 0.0018475000000000, -0.0010907000000000 ] - [ -0.0010416800000000, -0.0016160500000000, 0.0003740300000000 ] - [ -0.0057907800000000, -0.0484932800000000, 0.0148436200000000 ] - [ 0.0000514000000000, 0.0010972900000000, -0.0005531500000000 ] - [ 0.0030832400000000, -0.0056316100000000, -0.0070579500000000 ] - [ 0.0008979000000000, 0.0007765200000000, 0.0008315100000000 ] - [ -0.0001858500000000, 0.0008408400000000, 0.0003306600000000 ] - [ 0.0003610300000000, 0.0006672600000000, 0.0006076900000000 ] - [ -0.0006385400000000, -0.0011553700000000, 0.0004729600000000 ] - [ -0.0001681000000000, -0.0007537700000000, -0.0009833800000000 ] - [ 0.0008803600000000, -0.0024252500000000, -0.0008728100000000 ] - [ 0.0001308500000000, 0.0006597000000000, -0.0003577000000000 ] - [ 0.0004301000000000, 0.0014409800000000, -0.0003930900000000 ] - [ -0.0001944400000000, 0.0017330500000000, -0.0007523000000000 ] - [ -0.0003713200000000, 0.0005546900000000, 0.0001981100000000 ] - [ 0.0005935200000000, -0.0003654900000000, 0.0006582200000000 ] - [ -0.0008279600000000, -0.0009136500000000, -0.0003018200000000 ] - [ -0.0013887200000000, 0.0025386200000000, 0.0012323300000000 ] - [ 0.0003117700000000, 0.0004666800000000, -0.0000007900000000 ] - [ 0.0000680500000000, -0.0010899200000000, 0.0000732100000000 ] - [ 0.0002185100000000, 0.0017078200000000, -0.0006428100000000 ] - [ -0.0015349700000000, -0.0015052600000000, -0.0006402500000000 ] - [ 0.0000546200000000, -0.0005827900000000, 0.0004366900000000 ] - [ -0.0015621500000000, 0.0063346900000000, -0.0015124700000000 ] - [ 0.0004747400000000, -0.0008420100000000, 0.0017122500000000 ] - [ -0.0008269600000000, 0.0007628600000000, 0.0000564600000000 ] - [ 0.0002631500000000, 0.0005968100000000, 0.0001120900000000 ] - [ 0.0011204300000000, 0.0032059300000000, -0.0001573600000000 ] - [ -0.0003129500000000, 0.0006218000000000, 0.0001841200000000 ] - [ -0.0000335100000000, -0.0013317800000000, -0.0007485200000000 ] - [ -0.0005092500000000, 0.0003106600000000, 0.0048796000000000 ] - [ -0.0003271000000000, 0.0006683800000000, -0.0001843000000000 ] - [ -0.0013733100000000, -0.0064331900000000, -0.0008828200000000 ] - [ 0.0002217800000000, 0.0012144900000000, 0.0009490700000000 ] - [ -0.0008066000000000, 0.0026815800000000, -0.0000546600000000 ] - [ 0.0008525100000000, 0.0000586500000000, -0.0000558900000000 ] - [ -0.0002060500000000, 0.0033937900000000, -0.0007389800000000 ] - [ -0.0001203400000000, 0.0010521300000000, -0.0003574700000000 ] - [ 0.0004401700000000, 0.0006349900000000, -0.0000070600000000 ] - [ 0.0000944600000000, -0.0002555800000000, -0.0000130400000000 ] - [ 0.0009854100000000, 0.0011703900000000, 0.0002762900000000 ] - [ -0.0008069300000000, -0.0006937600000000, 0.0001742500000000 ] - [ 0.0034060100000000, -0.0011005700000000, 0.0005856100000000 ] - [ 0.0004805600000000, -0.0002828400000000, 0.0001048500000000 ] - [ -0.0027983000000000, -0.0022759100000000, -0.0017993400000000 ] - [ 0.0004311400000000, 0.0005047500000000, -0.0002582700000000 ] - [ 0.0004516000000000, 0.0001154600000000, 0.0000568100000000 ] - [ -0.0013625800000000, -0.0067901600000000, 0.0010430200000000 ] - [ -0.0000986500000000, 0.0009649600000000, -0.0001200600000000 ] - [ 0.0027275100000000, -0.0004742800000000, 0.0007000400000000 ] - [ -0.0002129700000000, -0.0007534400000000, 0.0001932200000000 ] - [ 0.0006427500000000, 0.0016882300000000, -0.0012758200000000 ] - [ -0.0000379000000000, -0.0010275600000000, 0.0001069400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001939300000000, -0.0002502200000000, 0.0002301000000000 ] - [ 0.0000736600000000, -0.0001410000000000, -0.0002879700000000 ] - [ -0.0006248700000000, -0.0005846400000000, -0.0000407100000000 ] - [ 0.0019139000000000, -0.0009627800000000, -0.0052373000000000 ] - [ -0.0001288000000000, -0.0000265200000000, 0.0009666900000000 ] - [ -0.0005134700000000, 0.0005494400000000, 0.0008544400000000 ] - [ -0.0068407500000000, 0.0023379000000000, 0.0025846700000000 ] - [ -0.0056603700000000, -0.0040782400000000, 0.0008977200000000 ] - [ 0.0004058500000000, 0.0000685700000000, -0.0004534200000000 ] - [ 0.0005243800000000, 0.0007667300000000, -0.0005542900000000 ] - [ 0.0002660400000000, 0.0000547300000000, -0.0007601100000000 ] - [ 0.0002325600000000, -0.0005827500000000, -0.0004509800000000 ] - [ 0.0003464500000000, 0.0006341000000000, 0.0005158500000000 ] - [ -0.0005512300000000, -0.0001230100000000, -0.0012806000000000 ] - [ -0.0001485400000000, 0.0002460900000000, -0.0002341900000000 ] - [ 0.0004472900000000, 0.0003255800000000, 0.0001970300000000 ] - [ 0.0014895600000000, 0.0131781100000000, -0.0004533400000000 ] - [ 0.0052673400000000, -0.0113118800000000, 0.0040179000000000 ] - [ 0.0005342400000000, 0.0010584100000000, 0.0018969200000000 ] - [ -0.0038738400000000, -0.0034961000000000, -0.0025675400000000 ] - [ -0.0003202100000000, -0.0000227500000000, -0.0002784900000000 ] - [ 0.0000148400000000, -0.0005817800000000, 0.0001691900000000 ] - [ 0.0005920800000000, 0.0015102400000000, 0.0007131200000000 ] - [ 0.0002405800000000, 0.0001103900000000, -0.0003908300000000 ] - [ -0.0320696900000000, -0.0008404600000000, -0.1017871800000000 ] - [ -0.0003110300000000, -0.0001068500000000, 0.0001066200000000 ] - [ -0.0018017100000000, 0.0011352100000000, 0.0017083400000000 ] - [ -0.0001888300000000, -0.0002265100000000, 0.0011265400000000 ] - [ -0.0008043000000000, -0.0021855300000000, -0.0016457300000000 ] - [ -0.0007915500000000, -0.0001731900000000, -0.0004916800000000 ] - [ -0.0010462300000000, 0.0007731800000000, -0.0004892900000000 ] - [ -0.0001927600000000, -0.0000398800000000, 0.0003873300000000 ] - [ -0.0000854900000000, -0.0001171300000000, -0.0008396700000000 ] - [ -0.0003494600000000, 0.0026864500000000, 0.0026704400000000 ] - [ -0.0006115100000000, 0.0009941500000000, 0.0009631300000000 ] - [ 0.0005459000000000, 0.0002540800000000, 0.0012658600000000 ] - [ 0.0005635100000000, 0.0000925900000000, -0.0007146700000000 ] - [ -0.0022022700000000, -0.0003627600000000, 0.0029898300000000 ] - [ -0.0002427600000000, -0.0018486100000000, -0.0017739800000000 ] - [ -0.0001363600000000, -0.0003024200000000, -0.0000645600000000 ] - [ -0.0004232100000000, 0.0002546400000000, -0.0004058000000000 ] - [ 0.0030814200000000, 0.0111975300000000, 0.0002289600000000 ] - [ 0.0002295600000000, -0.0002177400000000, 0.0008585100000000 ] - [ -0.0002672500000000, -0.0002718600000000, -0.0001863900000000 ] - [ -0.0003803800000000, -0.0001169800000000, -0.0008010400000000 ] - [ 0.0009209300000000, -0.0110503300000000, 0.0235300900000000 ] - [ -0.0002691100000000, -0.0012867300000000, 0.0017389500000000 ] - [ -0.0003053800000000, -0.0001719400000000, -0.0006411400000000 ] - [ -0.0002112300000000, -0.0004361500000000, -0.0017863500000000 ] - [ -0.0002601200000000, -0.0000542900000000, -0.0001259400000000 ] - [ -0.0007258900000000, -0.0007054300000000, 0.0000822500000000 ] - [ 0.0000224100000000, 0.0001951900000000, -0.0000028700000000 ] - [ -0.0011392800000000, -0.0000036400000000, -0.0002177200000000 ] - [ -0.0004411200000000, 0.0009191400000000, -0.0002607400000000 ] - [ 0.0001673100000000, -0.0000016200000000, 0.0005617600000000 ] - [ -0.0002693100000000, -0.0003281100000000, 0.0007278200000000 ] - [ 0.0006071900000000, -0.0001169200000000, 0.0008050300000000 ] - [ 0.0002065600000000, 0.0002305500000000, 0.0006925800000000 ] - [ 0.0001439600000000, -0.0000158700000000, 0.0009220300000000 ] - [ 0.0009052900000000, -0.0007791200000000, 0.0011315600000000 ] - [ 0.0003132000000000, 0.0005118100000000, 0.0000882000000000 ] - [ 0.0002883200000000, -0.0002476500000000, 0.0008625400000000 ] - [ -0.0003016900000000, 0.0002585000000000, 0.0013837500000000 ] - [ 0.0023827200000000, 0.0013148400000000, 0.0014447800000000 ] - [ 0.0003764900000000, 0.0001020400000000, 0.0001777400000000 ] - [ 0.0000991900000000, 0.0002745200000000, 0.0000843100000000 ] - [ 0.0000627200000000, -0.0003398600000000, -0.0002057300000000 ] - [ -0.0000312300000000, 0.0000765300000000, 0.0003665100000000 ] - [ -0.0000710600000000, -0.0002140200000000, 0.0015958800000000 ] - [ 0.0001007100000000, -0.0003711600000000, 0.0001052600000000 ] - [ 0.0006930100000000, 0.0008199600000000, 0.0004871300000000 ] - [ 0.0004201000000000, -0.0001334800000000, 0.0009017700000000 ] - [ 0.0000436600000000, 0.0002230000000000, 0.0003374400000000 ] - [ -0.0020238800000000, -0.0019338900000000, 0.0016995900000000 ] - [ 0.0000784800000000, 0.0000591100000000, 0.0001076500000000 ] - [ -0.0000569200000000, -0.0003333700000000, -0.0002518700000000 ] - [ -0.0000856700000000, -0.0003435100000000, 0.0002266000000000 ] - [ 0.0000714000000000, -0.0000617700000000, 0.0002206900000000 ] - [ -0.0001408800000000, 0.0000502600000000, 0.0002198800000000 ] - [ 0.0002861200000000, 0.0002007900000000, -0.0004430700000000 ] - [ -0.0004388300000000, -0.0003465300000000, 0.0008939500000000 ] - [ 0.0003424600000000, -0.0001336700000000, 0.0003433300000000 ] - [ -0.0007300600000000, 0.0005266800000000, 0.0005220400000000 ] - [ 0.0005490000000000, 0.0004227700000000, -0.0003991700000000 ] - [ 0.0005415000000000, 0.0002093300000000, 0.0006429200000000 ] - [ -0.0003689300000000, 0.0002416700000000, -0.0005926500000000 ] - [ 0.0002859000000000, -0.0003550900000000, -0.0000893400000000 ] - [ 0.0069082200000000, 0.0023206100000000, 0.0006541700000000 ] - [ -0.0000820800000000, 0.0005215500000000, 0.0006290700000000 ] - [ -0.0001413900000000, 0.0003238900000000, 0.0005806500000000 ] - [ 0.0001642100000000, 0.0000758800000000, -0.0005224600000000 ] - [ -0.0010252400000000, -0.0004892600000000, 0.0013273900000000 ] - [ -0.0000817400000000, 0.0001004000000000, 0.0013832300000000 ] - [ 0.0001900200000000, -0.0001626200000000, 0.0000009600000000 ] - [ -0.0001269500000000, 0.0000564000000000, -0.0001851500000000 ] - [ -0.0004314900000000, 0.0000652600000000, 0.0005858700000000 ] - [ 0.0277533600000000, 0.0236360600000000, 0.0383002300000000 ] - [ 0.0029456800000000, 0.0055852800000000, -0.0010745600000000 ] - [ 0.0044880300000000, -0.0055816500000000, -0.0066899700000000 ] - [ -0.0007181200000000, -0.0000566700000000, 0.0014411700000000 ] - [ -0.0002934400000000, -0.0002325200000000, 0.0006314800000000 ] - [ 0.0001223000000000, -0.0007658000000000, -0.0014946200000000 ] - [ 0.0007196900000000, -0.0030821900000000, -0.0016101400000000 ] - [ 0.0006227100000000, 0.0003283100000000, 0.0001338400000000 ] - [ 0.0022031100000000, 0.0006306400000000, -0.0014342800000000 ] - [ 0.0014618900000000, -0.0041403300000000, 0.0047933300000000 ] - [ -0.0008774700000000, -0.0005870600000000, 0.0002323600000000 ] - [ -0.0001002600000000, 0.0002472500000000, 0.0012927100000000 ] - [ 0.0018722700000000, -0.0006419300000000, -0.0010815700000000 ] - [ -0.0001651800000000, -0.0173564600000000, 0.0293117500000000 ] - [ 0.0001217300000000, 0.0003065200000000, -0.0017691900000000 ] - [ 0.0035254600000000, 0.0018818200000000, -0.0014631900000000 ] - [ 0.0005510500000000, 0.0003681400000000, 0.0002577500000000 ] - [ -0.0003365000000000, 0.0007187000000000, 0.0005946800000000 ] - [ 0.0003266600000000, -0.0005670200000000, 0.0007829600000000 ] - [ -0.0009880400000000, -0.0001963200000000, -0.0011710800000000 ] - [ -0.0002759200000000, 0.0000454800000000, -0.0019486200000000 ] - [ 0.0009032600000000, -0.0008983800000000, -0.0003814000000000 ] - [ -0.0005082700000000, 0.0000771500000000, -0.0011911700000000 ] - [ 0.0006716000000000, 0.0002059400000000, -0.0016967500000000 ] - [ 0.0002069700000000, 0.0006306700000000, -0.0006452000000000 ] - [ 0.0000397800000000, -0.0002364000000000, -0.0008477400000000 ] - [ -0.0008644300000000, -0.0012664100000000, -0.0016886800000000 ] - [ -0.0001920300000000, -0.0002794600000000, -0.0020178500000000 ] - [ 0.0006882900000000, -0.0003719600000000, 0.0001083300000000 ] - [ 0.0001035000000000, 0.0000259500000000, -0.0005592700000000 ] - [ 0.0004334600000000, -0.0001079900000000, 0.0008617000000000 ] - [ 0.0003682600000000, 0.0005658500000000, -0.0002876200000000 ] - [ -0.0023697700000000, 0.0000027100000000, -0.0000753300000000 ] - [ -0.0004009500000000, -0.0000224900000000, -0.0025030700000000 ] - [ 0.0006978700000000, -0.0021314100000000, 0.0017614900000000 ] - [ -0.0009157400000000, -0.0007523000000000, -0.0017755600000000 ] - [ 0.0002847700000000, -0.0001553900000000, -0.0002416700000000 ] - [ -0.0000817000000000, -0.0001402300000000, -0.0011686900000000 ] - [ 0.0002440400000000, 0.0008047600000000, 0.0013393200000000 ] - [ -0.0003750200000000, 0.0003174000000000, 0.0001115600000000 ] - [ 0.0001104700000000, -0.0006960000000000, -0.0022925400000000 ] - [ 0.0008781400000000, -0.0011244000000000, -0.0019574100000000 ] - [ -0.0006284700000000, 0.0000025300000000, -0.0002850300000000 ] - [ -0.0015173200000000, 0.0016861400000000, 0.0055930800000000 ] - [ -0.0001135900000000, 0.0004780900000000, -0.0005327200000000 ] - [ -0.0006068400000000, 0.0000489700000000, 0.0004146400000000 ] - [ 0.0006607700000000, 0.0001722900000000, 0.0002840900000000 ] - [ 0.0000252900000000, -0.0004941800000000, 0.0009492900000000 ] - [ -0.0002208800000000, 0.0003942100000000, -0.0001489300000000 ] - [ -0.0000945500000000, -0.0000712500000000, 0.0003342700000000 ] - [ -0.0001180000000000, -0.0001144500000000, -0.0004848300000000 ] - [ -0.0003864100000000, -0.0002388400000000, 0.0001420600000000 ] - [ 0.0010323200000000, -0.0006979300000000, -0.0019886300000000 ] - [ -0.0010886400000000, -0.0001617100000000, 0.0013489100000000 ] - [ 0.0007152400000000, 0.0001701400000000, -0.0004788300000000 ] - [ -0.0025043200000000, 0.0017270100000000, 0.0008213400000000 ] - [ -0.0000478500000000, -0.0004390900000000, 0.0001567800000000 ] - [ 0.0005042000000000, -0.0001505100000000, -0.0000115400000000 ] - [ -0.0014120100000000, 0.0012166500000000, 0.0055520700000000 ] - [ 0.0000394200000000, 0.0006376200000000, -0.0005415100000000 ] - [ -0.0011138500000000, -0.0002945900000000, 0.0021592100000000 ] - [ -0.0008076900000000, 0.0000549200000000, -0.0000997200000000 ] - [ 0.0011018500000000, 0.0026712000000000, -0.0011815400000000 ] - [ -0.0001079700000000, -0.0005262700000000, -0.0003904700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002709400000000, -0.0002092900000000, -0.0009444100000000 ] - [ 0.0003872300000000, 0.0000631200000000, -0.0004260100000000 ] - [ 0.0001635400000000, 0.0006637500000000, -0.0006764500000000 ] - [ -0.0018843600000000, 0.0014842800000000, 0.0045163700000000 ] - [ 0.0002089000000000, 0.0004893200000000, -0.0002546200000000 ] - [ 0.0000531900000000, -0.0004737700000000, -0.0001432800000000 ] - [ 0.0073740300000000, -0.0024356100000000, -0.0018800000000000 ] - [ 0.0055769100000000, 0.0036138300000000, -0.0002153900000000 ] - [ -0.0000225600000000, 0.0001603300000000, 0.0002790800000000 ] - [ -0.0007552500000000, -0.0003851300000000, 0.0003790000000000 ] - [ -0.0000397300000000, -0.0004393200000000, 0.0005853800000000 ] - [ -0.0006188800000000, 0.0003574000000000, 0.0002767900000000 ] - [ -0.0007360700000000, -0.0008663700000000, -0.0003451900000000 ] - [ 0.0007829900000000, -0.0002635800000000, 0.0014651300000000 ] - [ -0.0000784100000000, 0.0001373400000000, 0.0004119900000000 ] - [ -0.0000651700000000, -0.0001002000000000, -0.0000215400000000 ] - [ -0.0007759700000000, -0.0130804400000000, 0.0002540700000000 ] - [ -0.0053997200000000, 0.0121621500000000, -0.0041788900000000 ] - [ -0.0004854100000000, -0.0017595200000000, -0.0020426600000000 ] - [ 0.0042006400000000, 0.0038800400000000, 0.0023181800000000 ] - [ -0.0003952400000000, -0.0000203600000000, 0.0001315200000000 ] - [ 0.0000289300000000, -0.0001352900000000, -0.0000236700000000 ] - [ -0.0006381400000000, -0.0007990500000000, -0.0005634900000000 ] - [ 0.0004735100000000, -0.0000669900000000, 0.0005392000000000 ] - [ 0.0319712700000000, 0.0016808100000000, 0.1033227400000000 ] - [ -0.0001401600000000, 0.0001394000000000, 0.0000892300000000 ] - [ 0.0022443500000000, -0.0011588800000000, -0.0015093500000000 ] - [ 0.0001557400000000, -0.0002234500000000, -0.0009312800000000 ] - [ 0.0007707400000000, 0.0017369100000000, 0.0014404500000000 ] - [ 0.0012446000000000, 0.0001417300000000, 0.0002968000000000 ] - [ 0.0005968800000000, -0.0007403200000000, 0.0002985800000000 ] - [ 0.0002280500000000, 0.0004918300000000, -0.0005864400000000 ] - [ -0.0005434300000000, -0.0004881800000000, 0.0015955200000000 ] - [ 0.0009600400000000, -0.0033696300000000, -0.0019410700000000 ] - [ 0.0000082200000000, -0.0003631000000000, -0.0002163400000000 ] - [ 0.0000929500000000, 0.0003521800000000, -0.0005175500000000 ] - [ 0.0000700500000000, 0.0005162300000000, -0.0000415900000000 ] - [ 0.0015829900000000, 0.0010018900000000, -0.0037261800000000 ] - [ 0.0008526900000000, 0.0012183100000000, 0.0010302500000000 ] - [ -0.0005035200000000, -0.0003027600000000, -0.0006875500000000 ] - [ 0.0006999400000000, 0.0000940000000000, 0.0006550200000000 ] - [ -0.0034559400000000, -0.0109734800000000, 0.0000444300000000 ] - [ 0.0001190300000000, -0.0000571900000000, -0.0006122300000000 ] - [ -0.0000074200000000, -0.0000780600000000, 0.0004350900000000 ] - [ 0.0001058300000000, -0.0002320000000000, 0.0005556000000000 ] - [ -0.0005163600000000, 0.0105197900000000, -0.0233634100000000 ] - [ -0.0000804800000000, 0.0015684600000000, -0.0019957700000000 ] - [ -0.0004068800000000, 0.0001255100000000, 0.0007894700000000 ] - [ 0.0001285000000000, -0.0000270700000000, 0.0010768600000000 ] - [ 0.0007207500000000, -0.0000214000000000, -0.0005908600000000 ] - [ 0.0002677300000000, 0.0007853800000000, -0.0007939300000000 ] - [ 0.0000538300000000, 0.0002652000000000, -0.0007107700000000 ] - [ 0.0012218500000000, 0.0004644700000000, 0.0009320100000000 ] - [ -0.0000204800000000, -0.0008443900000000, 0.0009821200000000 ] - [ 0.0002929900000000, -0.0000752600000000, 0.0001493700000000 ] - [ 0.0001915300000000, -0.0001323000000000, -0.0000138800000000 ] - [ -0.0002212400000000, 0.0003495300000000, -0.0009847900000000 ] - [ -0.0004380500000000, 0.0001534300000000, -0.0008725000000000 ] - [ 0.0000821500000000, -0.0003706900000000, -0.0010990900000000 ] - [ -0.0012798400000000, 0.0005473600000000, -0.0013055000000000 ] - [ -0.0006996200000000, -0.0007439500000000, 0.0000905900000000 ] - [ -0.0000583200000000, -0.0001364900000000, -0.0006855000000000 ] - [ 0.0000765400000000, 0.0001260200000000, -0.0012092800000000 ] - [ -0.0020167900000000, -0.0010974000000000, -0.0012806800000000 ] - [ 0.0003380400000000, -0.0000597700000000, -0.0003251400000000 ] - [ -0.0001428800000000, 0.0004384700000000, -0.0002321800000000 ] - [ -0.0000202000000000, -0.0003752400000000, 0.0000592100000000 ] - [ 0.0003061500000000, 0.0002721600000000, -0.0006163600000000 ] - [ -0.0006399400000000, 0.0001663000000000, -0.0017330800000000 ] - [ -0.0000588600000000, -0.0003434000000000, 0.0000433000000000 ] - [ -0.0007386000000000, -0.0001059100000000, -0.0003404300000000 ] - [ 0.0002953900000000, 0.0001732400000000, -0.0007546900000000 ] - [ -0.0000104000000000, 0.0002284000000000, -0.0001417900000000 ] - [ 0.0015939300000000, 0.0019976900000000, -0.0015195000000000 ] - [ 0.0003734400000000, -0.0000932000000000, 0.0000906800000000 ] - [ 0.0000234900000000, -0.0001165000000000, 0.0004507700000000 ] - [ 0.0000525400000000, -0.0001077500000000, -0.0004238100000000 ] - [ 0.0003806400000000, 0.0000259100000000, -0.0004197800000000 ] - [ -0.0003101800000000, -0.0000154600000000, -0.0004201800000000 ] - [ -0.0002535900000000, 0.0002486700000000, 0.0002457100000000 ] - [ -0.0002001000000000, -0.0002587800000000, -0.0001418800000000 ] - [ 0.0002612500000000, -0.0005066300000000, 0.0004096900000000 ] - [ 0.0001264500000000, 0.0001112300000000, 0.0002305300000000 ] - [ 0.0000893700000000, 0.0001833400000000, 0.0011516800000000 ] - [ 0.0000953500000000, 0.0003960900000000, -0.0013977800000000 ] - [ -0.0002353700000000, 0.0003982500000000, -0.0001589100000000 ] - [ 0.0003189100000000, -0.0002833900000000, -0.0006629100000000 ] - [ -0.0075006000000000, -0.0029161900000000, -0.0014050700000000 ] - [ 0.0003586800000000, -0.0001751600000000, -0.0003802200000000 ] - [ -0.0002076200000000, -0.0000504700000000, -0.0003352200000000 ] - [ 0.0001849000000000, -0.0003509500000000, 0.0007751200000000 ] - [ 0.0007531900000000, 0.0001409800000000, -0.0010801200000000 ] - [ -0.0001958100000000, -0.0004479400000000, -0.0016360400000000 ] - [ 0.0001585300000000, -0.0001110800000000, -0.0002477800000000 ] - [ -0.0002228100000000, 0.0002193500000000, -0.0000663700000000 ] - [ -0.0002821700000000, -0.0001082000000000, -0.0004399900000000 ] - [ -0.0262216800000000, -0.0226859500000000, -0.0372134800000000 ] - [ -0.0035052600000000, -0.0044472600000000, 0.0026066200000000 ] - [ -0.0039105400000000, 0.0043922300000000, 0.0081980300000000 ] - [ -0.0004382100000000, -0.0005047900000000, 0.0000839800000000 ] - [ -0.0008655900000000, -0.0003253600000000, -0.0021586300000000 ] - [ 0.0004382500000000, -0.0003864600000000, -0.0000282100000000 ] - [ -0.0012636800000000, 0.0042476900000000, 0.0000496000000000 ] - [ 0.0005331500000000, 0.0002324600000000, -0.0016597200000000 ] - [ -0.0022146300000000, -0.0006347700000000, 0.0014526700000000 ] - [ -0.0014339400000000, 0.0041635800000000, -0.0048349900000000 ] - [ 0.0008832900000000, 0.0005913900000000, -0.0002322000000000 ] - [ 0.0000998500000000, -0.0002481200000000, -0.0013007000000000 ] - [ -0.0018679100000000, 0.0006417600000000, 0.0010853600000000 ] - [ 0.0000145800000000, 0.0167012700000000, -0.0294417900000000 ] - [ -0.0001235000000000, -0.0003078400000000, 0.0017762600000000 ] - [ -0.0035421200000000, -0.0018899500000000, 0.0014534700000000 ] - [ 0.0006079200000000, 0.0001897700000000, 0.0012723900000000 ] - [ -0.0002211200000000, 0.0004394300000000, 0.0009371800000000 ] - [ 0.0002323700000000, -0.0005937700000000, 0.0007447900000000 ] - [ -0.0001707900000000, -0.0003617100000000, 0.0027039200000000 ] - [ -0.0008847400000000, -0.0006053600000000, 0.0004236100000000 ] - [ -0.0003480900000000, -0.0002587300000000, -0.0011501000000000 ] - [ -0.0000492200000000, 0.0010849100000000, -0.0003350100000000 ] - [ 0.0004852000000000, 0.0003544300000000, 0.0001697500000000 ] - [ -0.0002102800000000, -0.0006322300000000, 0.0006467600000000 ] - [ -0.0000384400000000, 0.0002355800000000, 0.0008515200000000 ] - [ 0.0008683100000000, 0.0012721900000000, 0.0016927500000000 ] - [ 0.0001863400000000, 0.0002771300000000, 0.0020197900000000 ] - [ -0.0006894100000000, 0.0003709900000000, -0.0001136900000000 ] - [ -0.0001030200000000, -0.0000261700000000, 0.0005602900000000 ] - [ -0.0004340100000000, 0.0001082100000000, -0.0008618500000000 ] - [ -0.0003688100000000, -0.0005661300000000, 0.0002896200000000 ] - [ 0.0023809100000000, -0.0000031100000000, 0.0000735200000000 ] - [ 0.0004016100000000, 0.0000218400000000, 0.0025064800000000 ] - [ -0.0007003100000000, 0.0021420300000000, -0.0017705000000000 ] - [ 0.0009173100000000, 0.0007495100000000, 0.0017840300000000 ] - [ -0.0002867800000000, 0.0001559000000000, -0.0006738300000000 ] - [ 0.0000813600000000, 0.0001414000000000, 0.0002565100000000 ] - [ -0.0002443300000000, -0.0008047600000000, -0.0004262800000000 ] - [ 0.0003778000000000, -0.0003194300000000, 0.0008061600000000 ] - [ -0.0001008900000000, -0.0004173900000000, 0.0019375700000000 ] - [ 0.0002303700000000, 0.0011328500000000, 0.0016132800000000 ] - [ -0.0004839200000000, -0.0000126500000000, -0.0000755400000000 ] - [ 0.0014824000000000, -0.0005594200000000, -0.0059899900000000 ] - [ 0.0001045200000000, 0.0006368300000000, 0.0008953000000000 ] - [ -0.0005068000000000, -0.0000613700000000, -0.0000545100000000 ] - [ 0.0004524000000000, -0.0001622600000000, 0.0000770700000000 ] - [ -0.0000181400000000, -0.0006257100000000, -0.0005858200000000 ] - [ 0.0002192600000000, -0.0003917400000000, 0.0001528400000000 ] - [ 0.0000953600000000, 0.0000713400000000, -0.0003352400000000 ] - [ 0.0001184500000000, 0.0001149300000000, 0.0004859600000000 ] - [ 0.0003866100000000, 0.0002393400000000, -0.0001434500000000 ] - [ -0.0010379700000000, 0.0007004600000000, 0.0010736900000000 ] - [ 0.0010894300000000, 0.0001643800000000, -0.0022736900000000 ] - [ -0.0007117300000000, -0.0001691600000000, 0.0013987300000000 ] - [ 0.0025013300000000, -0.0017271700000000, 0.0001104000000000 ] - [ 0.0000585900000000, -0.0006747200000000, -0.0005188600000000 ] - [ 0.0006106500000000, 0.0001611000000000, -0.0003517900000000 ] - [ 0.0001254300000000, -0.0013105000000000, -0.0069233200000000 ] - [ -0.0000507000000000, 0.0004766900000000, 0.0001801500000000 ] - [ 0.0011068500000000, 0.0014081500000000, -0.0018006700000000 ] - [ -0.0003058600000000, -0.0000657600000000, 0.0004637000000000 ] - [ 0.0000168800000000, -0.0026449500000000, 0.0015391100000000 ] - [ 0.0001198000000000, -0.0005882100000000, 0.0007538300000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0005532100000000, -0.0002386100000000, -0.0008174400000000 ] - [ 0.0006857700000000, -0.0000672500000000, -0.0004068200000000 ] - [ -0.0010862600000000, -0.0008951800000000, 0.0005436000000000 ] - [ 0.0019917000000000, -0.0002014900000000, -0.0005789000000000 ] - [ 0.0007021100000000, 0.0003139500000000, 0.0003504800000000 ] - [ -0.0009795800000000, -0.0003954200000000, -0.0003636300000000 ] - [ 0.0014404400000000, -0.0001533100000000, 0.0004415000000000 ] - [ 0.0027168500000000, -0.0105839700000000, 0.0081274700000000 ] - [ -0.0003741100000000, 0.0003667800000000, -0.0005237100000000 ] - [ 0.0010175100000000, -0.0002233300000000, 0.0002052200000000 ] - [ 0.0025086200000000, -0.0013434500000000, -0.0010184700000000 ] - [ -0.0026203100000000, 0.0004588300000000, 0.0000737500000000 ] - [ 0.0005960900000000, 0.0000231400000000, -0.0002250100000000 ] - [ -0.0014015800000000, 0.0060562000000000, -0.0000789100000000 ] - [ -0.0025476700000000, 0.0000582500000000, 0.0005828000000000 ] - [ 0.0005866500000000, -0.0000802500000000, -0.0001764300000000 ] - [ 0.0003125000000000, 0.0001566300000000, 0.0003093900000000 ] - [ 0.0064639000000000, 0.0049031400000000, -0.0057251500000000 ] - [ 0.0008315800000000, -0.0001382400000000, 0.0001920000000000 ] - [ 0.0018010900000000, 0.0004827000000000, -0.0002126400000000 ] - [ -0.0003639200000000, -0.0000585800000000, -0.0001600000000000 ] - [ 0.0003539900000000, -0.0004219500000000, 0.0001451800000000 ] - [ -0.0000366700000000, 0.0000506500000000, -0.0001214900000000 ] - [ 0.0131464900000000, -0.0123028000000000, -0.0023726600000000 ] - [ 0.0048469100000000, -0.0008824700000000, 0.0003262500000000 ] - [ -0.0009788600000000, 0.0002422800000000, -0.0001088500000000 ] - [ -0.0000485800000000, 0.0004559900000000, 0.0031371000000000 ] - [ 0.0000212600000000, -0.0000111200000000, -0.0001286300000000 ] - [ 0.0006782900000000, -0.0016217500000000, 0.0001467200000000 ] - [ 0.0020301100000000, -0.0000132700000000, 0.0014280500000000 ] - [ 0.0005492000000000, -0.0002810200000000, -0.0001781500000000 ] - [ 0.0003060500000000, 0.0004585000000000, -0.0002828500000000 ] - [ -0.1684199000000000, 0.0374438300000000, 0.0712790000000000 ] - [ 0.0009308600000000, -0.0005634400000000, -0.0000101300000000 ] - [ -0.0002282600000000, 0.0005626900000000, 0.0008147700000000 ] - [ 0.0007899400000000, 0.0002622800000000, 0.0002690800000000 ] - [ 0.0009882300000000, 0.0003843700000000, -0.0004425100000000 ] - [ -0.0002993600000000, 0.0000656700000000, -0.0000117000000000 ] - [ 0.0013693800000000, 0.0008366600000000, -0.0002114600000000 ] - [ -0.0007073200000000, -0.0003523800000000, -0.0005109700000000 ] - [ -0.0089048200000000, -0.0013875100000000, -0.0049340600000000 ] - [ 0.0007068100000000, -0.0011368300000000, -0.0006373300000000 ] - [ 0.0003626900000000, -0.0001404300000000, 0.0001709400000000 ] - [ -0.0005814300000000, -0.0003239300000000, 0.0003907400000000 ] - [ 0.0003649700000000, -0.0001859900000000, 0.0001175400000000 ] - [ 0.0013942700000000, -0.0002364000000000, 0.0009694800000000 ] - [ -0.0000291000000000, 0.0013625900000000, -0.0016137300000000 ] - [ -0.0002333800000000, 0.0000701700000000, 0.0000748600000000 ] - [ 0.0027399000000000, 0.0006216200000000, 0.0003128400000000 ] - [ -0.0015473800000000, 0.0007902900000000, -0.0001838800000000 ] - [ 0.0005254000000000, -0.0000364800000000, -0.0001371900000000 ] - [ -0.0004676700000000, 0.0001813200000000, -0.0004363300000000 ] - [ -0.0036230800000000, 0.0019323200000000, -0.0005076500000000 ] - [ 0.0003780800000000, 0.0002827700000000, 0.0005626300000000 ] - [ -0.0001425200000000, -0.0002353900000000, 0.0002509400000000 ] - [ 0.0003690700000000, -0.0003111300000000, 0.0002241800000000 ] - [ 0.0009682300000000, 0.0004144200000000, -0.0005226800000000 ] - [ -0.0012869600000000, 0.0003338500000000, -0.0006671000000000 ] - [ -0.0001089100000000, -0.0008474300000000, -0.0008688100000000 ] - [ 0.0003542900000000, -0.0000091900000000, 0.0000085100000000 ] - [ -0.0017735000000000, -0.0009067200000000, 0.0004882500000000 ] - [ 0.0004820800000000, -0.0001235400000000, 0.0001737700000000 ] - [ 0.0004704700000000, 0.0001017100000000, -0.0001331600000000 ] - [ -0.0000204300000000, -0.0035478100000000, -0.0058384900000000 ] - [ 0.0000414000000000, 0.0000994900000000, -0.0000526300000000 ] - [ 0.0001002100000000, 0.0006348700000000, -0.0003985400000000 ] - [ -0.0005104800000000, -0.0005043400000000, 0.0000462800000000 ] - [ -0.0003052500000000, 0.0000124400000000, -0.0000927200000000 ] - [ -0.0002139400000000, 0.0001369200000000, -0.0008092800000000 ] - [ -0.0006503300000000, -0.0008398800000000, 0.0027657600000000 ] - [ 0.0004331500000000, -0.0006538700000000, -0.0014358600000000 ] - [ 0.0006341100000000, -0.0000881300000000, 0.0000234000000000 ] - [ -0.0002179200000000, 0.0000382200000000, -0.0000203900000000 ] - [ 0.0023460400000000, -0.0003804800000000, -0.0005820300000000 ] - [ 0.0004338900000000, -0.0001939800000000, 0.0002863300000000 ] - [ 0.0003466800000000, 0.0009631500000000, -0.0001291200000000 ] - [ 0.0001087700000000, -0.0004266600000000, 0.0001234500000000 ] - [ 0.0001654800000000, -0.0001174400000000, -0.0000633200000000 ] - [ -0.0007520600000000, 0.0001252700000000, -0.0007878100000000 ] - [ 0.0096400500000000, 0.0046081500000000, -0.0072219700000000 ] - [ 0.0000351100000000, -0.0003454400000000, 0.0002424900000000 ] - [ -0.0001285600000000, -0.0008861300000000, -0.0006494300000000 ] - [ 0.0003772000000000, 0.0008854400000000, 0.0019570000000000 ] - [ -0.0003670300000000, -0.0000857000000000, 0.0003906500000000 ] - [ -0.0003518300000000, 0.0005300100000000, -0.0006684700000000 ] - [ -0.0001195300000000, -0.0008283000000000, 0.0007319200000000 ] - [ -0.0001901100000000, -0.0000684200000000, -0.0009545600000000 ] - [ 0.0016727000000000, -0.0002013300000000, 0.0001572100000000 ] - [ 0.0005199300000000, 0.0001883600000000, 0.0001665600000000 ] - [ -0.0000838800000000, -0.0003162700000000, -0.0005988400000000 ] - [ 0.0065924800000000, 0.0069780000000000, 0.0039236000000000 ] - [ 0.0007142600000000, -0.0002410200000000, 0.0002792400000000 ] - [ -0.0008663200000000, -0.0001341000000000, -0.0001450200000000 ] - [ -0.0001585200000000, -0.0001918000000000, 0.0001638900000000 ] - [ -0.0001235200000000, 0.0021489600000000, -0.0012147900000000 ] - [ -0.0002127400000000, 0.0000136600000000, -0.0000713100000000 ] - [ -0.0036579500000000, -0.0014353000000000, -0.0005122600000000 ] - [ -0.0037387000000000, -0.0027631300000000, 0.0026667000000000 ] - [ -0.0008986600000000, -0.0003016100000000, -0.0006801000000000 ] - [ -0.0015298300000000, -0.0007052800000000, 0.0007490300000000 ] - [ 0.0001335900000000, 0.0005717900000000, -0.0008445200000000 ] - [ 0.0000931400000000, -0.0007086000000000, -0.0008914800000000 ] - [ -0.0011483900000000, 0.0016392600000000, -0.0000176900000000 ] - [ 0.1043069300000000, -0.0394412600000000, -0.0681326000000000 ] - [ 0.0072086600000000, 0.0008312700000000, -0.0024869600000000 ] - [ -0.0026371600000000, -0.0003264900000000, -0.0005543800000000 ] - [ -0.0015013100000000, 0.0007495800000000, 0.0008720400000000 ] - [ 0.0035991800000000, -0.0011655100000000, 0.0012067700000000 ] - [ 0.0038658900000000, -0.0020927600000000, 0.0017276000000000 ] - [ -0.0041555000000000, 0.0030492400000000, 0.0000082100000000 ] - [ -0.0003822800000000, -0.0004206300000000, 0.0008512000000000 ] - [ -0.0034078100000000, 0.0004753200000000, -0.0008005900000000 ] - [ 0.0012412700000000, 0.0003668100000000, 0.0008372900000000 ] - [ 0.0005364200000000, -0.0003400900000000, 0.0018320400000000 ] - [ 0.0008582100000000, 0.0001891300000000, 0.0001547800000000 ] - [ -0.0001469400000000, -0.0006691200000000, 0.0014693100000000 ] - [ -0.0012073900000000, -0.0002104900000000, -0.0007779100000000 ] - [ -0.0024738400000000, -0.0001117400000000, -0.0053045600000000 ] - [ 0.0003144500000000, 0.0012783400000000, 0.0006917500000000 ] - [ -0.0000452200000000, 0.0003025100000000, -0.0006873600000000 ] - [ -0.0008114200000000, -0.0000029900000000, -0.0001125100000000 ] - [ 0.0004902000000000, 0.0003779800000000, 0.0004310200000000 ] - [ 0.0028694800000000, 0.0019571200000000, 0.0018785200000000 ] - [ -0.0007835700000000, -0.0001930300000000, 0.0003241500000000 ] - [ -0.0010539900000000, -0.0000952300000000, -0.0001888700000000 ] - [ 0.0002497200000000, 0.0004033100000000, 0.0001756000000000 ] - [ -0.0016095400000000, -0.0083510800000000, 0.0003071900000000 ] - [ 0.0009770800000000, 0.0006437900000000, -0.0001096100000000 ] - [ 0.0041655000000000, 0.0002292200000000, -0.0020044800000000 ] - [ -0.0004430700000000, 0.0002043400000000, 0.0002592000000000 ] - [ -0.0011826900000000, -0.0009023900000000, -0.0005717300000000 ] - [ -0.0012157700000000, -0.0001610600000000, 0.0002508700000000 ] - [ 0.0016090400000000, 0.0005150900000000, -0.0013912000000000 ] - [ -0.0004488200000000, 0.0000783700000000, -0.0002305400000000 ] - [ -0.0013233700000000, 0.0000766700000000, -0.0001036900000000 ] - [ 0.0006638000000000, -0.0001928100000000, 0.0007259000000000 ] - [ -0.0007044100000000, -0.0005782800000000, 0.0001677000000000 ] - [ 0.0000899300000000, -0.0005835000000000, -0.0006583900000000 ] - [ -0.0005350400000000, 0.0003746500000000, 0.0001208500000000 ] - [ 0.0302172300000000, 0.0111523500000000, 0.0110361000000000 ] - [ 0.0001040000000000, 0.0008191900000000, 0.0003242300000000 ] - [ -0.0007156500000000, -0.0003642200000000, 0.0003425600000000 ] - [ 0.0004438000000000, 0.0015164600000000, -0.0027987400000000 ] - [ -0.0008108200000000, -0.0002480900000000, 0.0000836700000000 ] - [ -0.0004633900000000, 0.0000529300000000, 0.0001255300000000 ] - [ -0.0001883900000000, 0.0042779400000000, 0.0007208300000000 ] - [ 0.0003940900000000, -0.0001888300000000, -0.0001569500000000 ] - [ 0.0005146500000000, 0.0001544500000000, 0.0000749500000000 ] - [ -0.0009044200000000, -0.0000644100000000, -0.0005221000000000 ] - [ 0.0050541300000000, 0.0007047900000000, -0.0010654700000000 ] - [ 0.0007082100000000, -0.0000769700000000, 0.0006520000000000 ] - [ -0.0014454900000000, -0.0001204100000000, 0.0006409900000000 ] - [ 0.0008358200000000, -0.0007229000000000, -0.0003084900000000 ] - [ 0.0009837700000000, -0.0011687600000000, -0.0011011000000000 ] - [ -0.0025230700000000, 0.0012412500000000, 0.0014087600000000 ] - [ -0.0001750000000000, 0.0005221200000000, -0.0001340700000000 ] - [ -0.0051085300000000, 0.0003331000000000, 0.0004630200000000 ] - [ -0.0006698700000000, -0.0004174700000000, 0.0033929700000000 ] - [ 0.0001912600000000, 0.0003886600000000, -0.0002118200000000 ] - [ 0.0010014200000000, -0.0006277600000000, 0.0000550700000000 ]- atom: 33 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0004736200000000, -0.0002209900000000, 0.0001023600000000 ] - [ -0.0002266400000000, -0.0000112300000000, -0.0003093000000000 ] - [ 0.0006246700000000, 0.0009733800000000, -0.0012552100000000 ] - [ -0.0019200300000000, 0.0006579600000000, -0.0001332000000000 ] - [ -0.0006229200000000, 0.0001458800000000, 0.0003641900000000 ] - [ 0.0005171600000000, 0.0004683200000000, 0.0010697200000000 ] - [ -0.0009805500000000, 0.0000734100000000, 0.0002703900000000 ] - [ -0.0028133600000000, 0.0100469900000000, -0.0073508700000000 ] - [ 0.0007531800000000, -0.0001428800000000, 0.0003479400000000 ] - [ -0.0012479900000000, 0.0006079900000000, -0.0003803600000000 ] - [ -0.0022914200000000, 0.0009643500000000, 0.0008468600000000 ] - [ 0.0022439600000000, -0.0007180700000000, -0.0002481000000000 ] - [ -0.0009827000000000, -0.0002499500000000, 0.0004019500000000 ] - [ 0.0016180800000000, -0.0064226000000000, 0.0002555500000000 ] - [ 0.0023266300000000, 0.0003268600000000, -0.0004094200000000 ] - [ -0.0002027700000000, 0.0003078100000000, 0.0003539600000000 ] - [ 0.0003595100000000, -0.0001208100000000, -0.0004595200000000 ] - [ -0.0064561100000000, -0.0041526500000000, 0.0055168600000000 ] - [ -0.0007908700000000, -0.0005772500000000, -0.0003394200000000 ] - [ -0.0015276100000000, -0.0001298900000000, -0.0000357100000000 ] - [ -0.0003464300000000, 0.0000106500000000, 0.0000152400000000 ] - [ -0.0003155600000000, -0.0002950600000000, 0.0000039000000000 ] - [ -0.0000081600000000, 0.0006646300000000, 0.0002691000000000 ] - [ -0.0126087400000000, 0.0125950300000000, 0.0025500700000000 ] - [ -0.0047702600000000, 0.0013108800000000, -0.0001319100000000 ] - [ 0.0005267000000000, -0.0002060500000000, 0.0003068200000000 ] - [ 0.0005038300000000, -0.0004900400000000, -0.0029195100000000 ] - [ -0.0000595400000000, -0.0004432100000000, 0.0003257500000000 ] - [ -0.0007151500000000, 0.0011742100000000, -0.0003450100000000 ] - [ -0.0015753000000000, -0.0000250500000000, -0.0016367200000000 ] - [ -0.0010048200000000, 0.0003173900000000, -0.0000201600000000 ] - [ -0.0002718700000000, -0.0000041100000000, 0.0000841600000000 ] - [ 0.1699932100000000, -0.0411941400000000, -0.0756574400000000 ] - [ -0.0003292500000000, -0.0000792500000000, 0.0007645100000000 ] - [ -0.0003775200000000, 0.0000791100000000, -0.0000607400000000 ] - [ -0.0001474900000000, 0.0003425600000000, 0.0004854200000000 ] - [ -0.0003514800000000, 0.0002206700000000, -0.0003073000000000 ] - [ -0.0003065100000000, 0.0005757200000000, -0.0007427500000000 ] - [ -0.0007643300000000, -0.0014725200000000, -0.0005399800000000 ] - [ 0.0000655900000000, -0.0002516000000000, -0.0002424200000000 ] - [ 0.0092358800000000, 0.0017312000000000, 0.0051391800000000 ] - [ -0.0010595200000000, 0.0014107000000000, 0.0008880800000000 ] - [ -0.0000156000000000, -0.0001321200000000, 0.0000744500000000 ] - [ 0.0003061500000000, -0.0000278500000000, -0.0001436500000000 ] - [ -0.0006420200000000, -0.0001663300000000, -0.0003686000000000 ] - [ -0.0010502500000000, -0.0000399300000000, -0.0012181100000000 ] - [ -0.0003233200000000, -0.0010813000000000, 0.0013586500000000 ] - [ -0.0004834700000000, -0.0001124900000000, 0.0000722000000000 ] - [ -0.0028255300000000, -0.0010852700000000, -0.0010317500000000 ] - [ 0.0020093400000000, -0.0008626600000000, -0.0005378400000000 ] - [ -0.0009864400000000, 0.0001175400000000, -0.0005801900000000 ] - [ 0.0005452000000000, 0.0002771500000000, -0.0002774800000000 ] - [ 0.0037284500000000, -0.0014614500000000, 0.0012006000000000 ] - [ -0.0008390200000000, -0.0002070200000000, 0.0001492000000000 ] - [ 0.0006019700000000, 0.0001563100000000, 0.0004616700000000 ] - [ -0.0004471200000000, -0.0001490800000000, 0.0004905600000000 ] - [ -0.0005871800000000, -0.0001887600000000, 0.0003503000000000 ] - [ 0.0010601700000000, 0.0000498600000000, 0.0004927700000000 ] - [ 0.0003345100000000, 0.0004628100000000, 0.0006944000000000 ] - [ -0.0007397100000000, -0.0002188200000000, -0.0001841300000000 ] - [ 0.0013931000000000, 0.0006847200000000, -0.0003060400000000 ] - [ -0.0002550900000000, -0.0002602200000000, 0.0000019400000000 ] - [ -0.0006985700000000, 0.0002821000000000, 0.0003092200000000 ] - [ 0.0003782400000000, 0.0037693800000000, 0.0060038000000000 ] - [ 0.0006760600000000, -0.0000581000000000, -0.0000949300000000 ] - [ -0.0001398300000000, 0.0000811300000000, 0.0002511900000000 ] - [ 0.0005544700000000, -0.0002114500000000, -0.0001952500000000 ] - [ 0.0005788500000000, 0.0003375600000000, -0.0001536100000000 ] - [ -0.0005052000000000, -0.0001795000000000, 0.0006610700000000 ] - [ 0.0007311800000000, 0.0001335200000000, -0.0026284900000000 ] - [ -0.0004729800000000, 0.0013789300000000, 0.0015909200000000 ] - [ 0.0000793200000000, 0.0001307500000000, 0.0001239800000000 ] - [ 0.0002545800000000, 0.0004153700000000, 0.0002186000000000 ] - [ -0.0027922300000000, 0.0004140500000000, 0.0007767100000000 ] - [ 0.0000216100000000, 0.0001578500000000, -0.0000890800000000 ] - [ -0.0003782800000000, -0.0014179400000000, 0.0003288100000000 ] - [ -0.0001433600000000, -0.0000274900000000, -0.0003209700000000 ] - [ 0.0002884400000000, 0.0000808900000000, -0.0001352000000000 ] - [ 0.0003083500000000, -0.0000865500000000, 0.0005791800000000 ] - [ -0.0097781000000000, -0.0042426200000000, 0.0071905800000000 ] - [ -0.0006770500000000, -0.0002588300000000, 0.0005113300000000 ] - [ 0.0007408800000000, 0.0002389700000000, 0.0014096900000000 ] - [ -0.0009818700000000, -0.0002408800000000, -0.0012101500000000 ] - [ 0.0010061000000000, 0.0006935000000000, 0.0003610300000000 ] - [ 0.0009908200000000, 0.0000735300000000, -0.0000840000000000 ] - [ -0.0004843800000000, 0.0014780800000000, -0.0014952800000000 ] - [ 0.0007968600000000, -0.0005761900000000, 0.0002031100000000 ] - [ -0.0023170700000000, -0.0004023500000000, -0.0009066400000000 ] - [ -0.0002472700000000, 0.0001616100000000, 0.0000808600000000 ] - [ -0.0002648400000000, 0.0005899000000000, 0.0008461800000000 ] - [ -0.0063003300000000, -0.0073676200000000, -0.0037320100000000 ] - [ -0.0009859800000000, -0.0001075200000000, -0.0000356600000000 ] - [ 0.0005908500000000, -0.0002154400000000, -0.0001004600000000 ] - [ 0.0005107000000000, -0.0000824000000000, -0.0004108800000000 ] - [ -0.0002224400000000, -0.0018911700000000, 0.0009737800000000 ] - [ -0.0005004700000000, -0.0000545000000000, 0.0002193000000000 ] - [ 0.0048177000000000, 0.0019715400000000, 0.0020290600000000 ] - [ 0.0031788200000000, 0.0039138600000000, -0.0011374100000000 ] - [ 0.0014541700000000, -0.0008586300000000, 0.0022099600000000 ] - [ 0.0003696800000000, 0.0001486800000000, 0.0007800500000000 ] - [ -0.0012897200000000, -0.0011283000000000, -0.0006807600000000 ] - [ 0.0004651100000000, -0.0004481100000000, -0.0006348100000000 ] - [ 0.0005981100000000, -0.0004795800000000, -0.0015081500000000 ] - [ -0.1066342600000000, 0.0423343700000000, 0.0706565000000000 ] - [ -0.0072029400000000, -0.0008522000000000, 0.0025130200000000 ] - [ 0.0026411600000000, 0.0003300400000000, 0.0005573000000000 ] - [ 0.0015040800000000, -0.0007518500000000, -0.0008741000000000 ] - [ -0.0035975700000000, 0.0011804700000000, -0.0012003500000000 ] - [ -0.0038403100000000, 0.0020723600000000, -0.0016841800000000 ] - [ 0.0041763200000000, -0.0030363300000000, -0.0000212400000000 ] - [ 0.0003828200000000, 0.0004204800000000, -0.0008476800000000 ] - [ 0.0034068500000000, -0.0004765700000000, 0.0008037900000000 ] - [ -0.0000849000000000, 0.0001890600000000, 0.0006905300000000 ] - [ -0.0010996200000000, 0.0015019000000000, -0.0003069500000000 ] - [ -0.0003094400000000, -0.0013510100000000, 0.0013739700000000 ] - [ -0.0010078200000000, 0.0001125100000000, 0.0000573600000000 ] - [ 0.0000437900000000, -0.0003465000000000, -0.0007497700000000 ] - [ 0.0030293400000000, -0.0010502500000000, 0.0038105700000000 ] - [ -0.0008878500000000, -0.0001176300000000, -0.0022207400000000 ] - [ 0.0012056400000000, 0.0002534700000000, -0.0008385400000000 ] - [ 0.0008107300000000, 0.0000024900000000, 0.0001158400000000 ] - [ -0.0004919300000000, -0.0003725200000000, -0.0004264400000000 ] - [ -0.0028720700000000, -0.0019624400000000, -0.0018939500000000 ] - [ 0.0007846700000000, 0.0001946000000000, -0.0003261000000000 ] - [ 0.0010542000000000, 0.0000964500000000, 0.0001913800000000 ] - [ -0.0002533000000000, -0.0004030500000000, -0.0001753800000000 ] - [ 0.0015988500000000, 0.0084039500000000, -0.0002977000000000 ] - [ -0.0009787500000000, -0.0006433000000000, 0.0001105800000000 ] - [ -0.0041937800000000, -0.0002672600000000, 0.0021073200000000 ] - [ 0.0004448300000000, -0.0002041600000000, -0.0002593500000000 ] - [ 0.0011875200000000, 0.0009045700000000, 0.0005704600000000 ] - [ 0.0012180900000000, 0.0001598900000000, -0.0002534100000000 ] - [ -0.0016079200000000, -0.0005034700000000, 0.0004734300000000 ] - [ 0.0004480900000000, -0.0000784900000000, -0.0006872100000000 ] - [ 0.0013250400000000, -0.0000784800000000, 0.0010218500000000 ] - [ -0.0006608400000000, 0.0001952100000000, 0.0001872600000000 ] - [ 0.0007161900000000, -0.0005352100000000, -0.0005278000000000 ] - [ 0.0010261400000000, 0.0005936900000000, 0.0002977100000000 ] - [ -0.0005812100000000, -0.0003838800000000, -0.0004831200000000 ] - [ -0.0286478200000000, -0.0091845500000000, -0.0105642600000000 ] - [ -0.0001135400000000, 0.0002938900000000, 0.0000375300000000 ] - [ -0.0003955600000000, 0.0003526400000000, 0.0000189000000000 ] - [ 0.0006624300000000, -0.0015089400000000, 0.0031780500000000 ] - [ 0.0008231000000000, -0.0008654000000000, 0.0002781800000000 ] - [ 0.0004638400000000, -0.0000523600000000, -0.0001259600000000 ] - [ 0.0001853800000000, -0.0043033800000000, -0.0007298800000000 ] - [ -0.0003964900000000, 0.0001883700000000, 0.0001562500000000 ] - [ -0.0005153800000000, -0.0001568100000000, -0.0000756800000000 ] - [ 0.0009047300000000, 0.0000650400000000, -0.0003937100000000 ] - [ -0.0050416500000000, -0.0006829600000000, 0.0001500100000000 ] - [ -0.0007090500000000, 0.0000759400000000, 0.0002658800000000 ] - [ 0.0014490400000000, 0.0001227900000000, 0.0002742400000000 ] - [ -0.0008292500000000, -0.0003928300000000, -0.0000537700000000 ] - [ 0.0001256500000000, 0.0011834100000000, 0.0007441800000000 ] - [ 0.0014097900000000, -0.0012438900000000, -0.0017590800000000 ] - [ 0.0001636100000000, 0.0005921000000000, -0.0002279000000000 ] - [ 0.0051168400000000, 0.0007762400000000, -0.0001034500000000 ] - [ -0.0004480800000000, 0.0004049200000000, -0.0030557900000000 ] - [ 0.0009239100000000, -0.0003780500000000, 0.0005741900000000 ] - [ -0.0009934700000000, -0.0004865500000000, 0.0003066500000000 ]- atom: 33 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001992600000000, 0.0001022500000000, -0.0001548900000000 ] - [ 0.0001997600000000, 0.0003863000000000, -0.0003243200000000 ] - [ -0.0003435000000000, 0.0014584300000000, -0.0019082800000000 ] - [ -0.0001696600000000, 0.0001625600000000, -0.0003418400000000 ] - [ 0.0000734400000000, 0.0002996600000000, 0.0003001900000000 ] - [ 0.0002768400000000, 0.0011734400000000, 0.0019136600000000 ] - [ 0.0001977400000000, -0.0006656500000000, 0.0005793300000000 ] - [ -0.0101843400000000, 0.0054186700000000, -0.0077889700000000 ] - [ 0.0009574000000000, 0.0018515700000000, -0.0008611100000000 ] - [ -0.0004463800000000, 0.0007231500000000, -0.0001314900000000 ] - [ -0.0011425200000000, 0.0005522300000000, 0.0006111600000000 ] - [ -0.0007611200000000, 0.0042513500000000, -0.0023285100000000 ] - [ -0.0002867900000000, -0.0001528800000000, 0.0003336900000000 ] - [ 0.0015082800000000, 0.0052957400000000, 0.0000218300000000 ] - [ -0.0007556900000000, 0.0020401900000000, 0.0004890000000000 ] - [ 0.0000913700000000, 0.0005157200000000, 0.0003234500000000 ] - [ 0.0005928000000000, -0.0008894400000000, -0.0001445100000000 ] - [ 0.0024177200000000, 0.0002132500000000, -0.0017887500000000 ] - [ 0.0002124100000000, -0.0008073000000000, -0.0000134700000000 ] - [ -0.0000095800000000, -0.0002267900000000, -0.0001824500000000 ] - [ -0.0005917900000000, 0.0010515200000000, -0.0002167000000000 ] - [ 0.0000384400000000, 0.0001659100000000, -0.0000041400000000 ] - [ -0.0001134500000000, 0.0010840900000000, 0.0002717700000000 ] - [ -0.0121850200000000, 0.0032226600000000, 0.0020812500000000 ] - [ -0.0006613700000000, -0.0012470500000000, 0.0002848300000000 ] - [ -0.0000902800000000, 0.0009142900000000, -0.0003276400000000 ] - [ 0.0015105000000000, -0.0016720000000000, 0.0007462900000000 ] - [ 0.0001024200000000, -0.0005504700000000, 0.0001474100000000 ] - [ -0.0006827100000000, 0.0015871500000000, -0.0003092400000000 ] - [ 0.0003421400000000, -0.0015502600000000, -0.0006471900000000 ] - [ -0.0005386600000000, 0.0005354600000000, -0.0000316300000000 ] - [ 0.0001481500000000, 0.0006969800000000, -0.0000989500000000 ] - [ 0.0391090400000000, -0.0864007700000000, -0.0453386900000000 ] - [ -0.0001089700000000, -0.0002447500000000, 0.0007832400000000 ] - [ 0.0001098000000000, 0.0009495900000000, 0.0009255300000000 ] - [ 0.0002794900000000, 0.0001423000000000, 0.0004220000000000 ] - [ 0.0004014400000000, 0.0007189100000000, -0.0004366400000000 ] - [ -0.0004653800000000, -0.0001734100000000, -0.0004895100000000 ] - [ 0.0006559600000000, -0.0001364700000000, -0.0005972500000000 ] - [ -0.0003703900000000, 0.0003633800000000, -0.0004979400000000 ] - [ 0.0004517800000000, 0.0003173400000000, 0.0171412400000000 ] - [ -0.0015187100000000, 0.0009531800000000, 0.0009593200000000 ] - [ 0.0002598300000000, 0.0000589300000000, 0.0002464600000000 ] - [ -0.0000219400000000, 0.0007975700000000, -0.0000850300000000 ] - [ -0.0000686700000000, 0.0003327800000000, -0.0000412700000000 ] - [ -0.0010296000000000, -0.0008216200000000, -0.0011524100000000 ] - [ 0.0000386800000000, 0.0003317100000000, -0.0005377300000000 ] - [ -0.0005637700000000, 0.0013588000000000, 0.0002630000000000 ] - [ 0.0011389400000000, -0.0003940200000000, -0.0005834200000000 ] - [ 0.0004945800000000, -0.0030102200000000, -0.0021467700000000 ] - [ -0.0003128900000000, -0.0000290400000000, -0.0004582500000000 ] - [ -0.0001310100000000, 0.0004225400000000, -0.0002987700000000 ] - [ 0.0034513000000000, 0.0043117800000000, -0.0042900600000000 ] - [ -0.0000948600000000, 0.0002924800000000, 0.0005425600000000 ] - [ 0.0002080800000000, 0.0009173700000000, 0.0003116500000000 ] - [ -0.0001922500000000, -0.0000987300000000, 0.0003379500000000 ] - [ 0.0002468300000000, -0.0002062000000000, -0.0001922600000000 ] - [ 0.0005009400000000, -0.0002998800000000, 0.0006571900000000 ] - [ -0.0002139600000000, 0.0003413000000000, 0.0007435300000000 ] - [ -0.0002556700000000, -0.0000541500000000, -0.0001992200000000 ] - [ 0.0000607200000000, 0.0011759400000000, 0.0014372200000000 ] - [ 0.0002066700000000, -0.0001707900000000, 0.0001727500000000 ] - [ -0.0001378700000000, -0.0000023900000000, 0.0001070400000000 ] - [ -0.0018323100000000, -0.0009214300000000, 0.0066279200000000 ] - [ 0.0004590400000000, 0.0004908900000000, 0.0001325800000000 ] - [ 0.0001908800000000, 0.0007495800000000, -0.0002400500000000 ] - [ 0.0002260900000000, 0.0007267600000000, -0.0000513300000000 ] - [ 0.0003076000000000, 0.0006769400000000, -0.0004037800000000 ] - [ -0.0005223600000000, -0.0007378600000000, 0.0002365400000000 ] - [ -0.0010129300000000, -0.0025891500000000, -0.0000878500000000 ] - [ -0.0004299900000000, -0.0004087300000000, 0.0003677700000000 ] - [ 0.0001871800000000, 0.0003111100000000, 0.0000626400000000 ] - [ 0.0001176500000000, 0.0008443500000000, 0.0000532800000000 ] - [ 0.0003847500000000, -0.0004217300000000, -0.0002114900000000 ] - [ 0.0001262000000000, 0.0005401000000000, 0.0000574700000000 ] - [ 0.0010464700000000, 0.0013132100000000, -0.0000203900000000 ] - [ -0.0002028000000000, -0.0004993600000000, -0.0001913100000000 ] - [ 0.0000450300000000, 0.0005809400000000, -0.0001158100000000 ] - [ -0.0013971800000000, -0.0006545700000000, 0.0017927400000000 ] - [ 0.0038539500000000, -0.0036627100000000, -0.0027149700000000 ] - [ -0.0003622400000000, -0.0000515300000000, 0.0004188900000000 ] - [ -0.0002584300000000, 0.0003570800000000, 0.0012078900000000 ] - [ 0.0002601400000000, -0.0001144700000000, 0.0016038700000000 ] - [ -0.0000705100000000, 0.0019572500000000, 0.0003301800000000 ] - [ 0.0005471700000000, -0.0003018800000000, -0.0006756800000000 ] - [ -0.0006546200000000, 0.0013847600000000, -0.0009428900000000 ] - [ 0.0004651000000000, -0.0003133400000000, -0.0006367500000000 ] - [ -0.0002179800000000, -0.0008989000000000, -0.0003682000000000 ] - [ 0.0001146400000000, 0.0004229100000000, 0.0002100100000000 ] - [ -0.0004424400000000, 0.0003479300000000, 0.0004905200000000 ] - [ 0.0090955400000000, 0.0018997200000000, 0.0031538900000000 ] - [ -0.0001410900000000, -0.0005069800000000, 0.0000497700000000 ] - [ -0.0001535400000000, -0.0008489300000000, -0.0000876300000000 ] - [ -0.0001494700000000, 0.0003749900000000, -0.0004929500000000 ] - [ 0.0006704400000000, 0.0003946900000000, -0.0008708900000000 ] - [ -0.0004069200000000, -0.0005896900000000, 0.0001647600000000 ] - [ 0.0005602300000000, 0.0015633600000000, 0.0009419400000000 ] - [ -0.0013369400000000, -0.0000626500000000, 0.0015378200000000 ] - [ -0.0000714700000000, 0.0014241900000000, 0.0014344000000000 ] - [ -0.0010730000000000, -0.0016390900000000, 0.0011243100000000 ] - [ -0.0000415400000000, -0.0024548100000000, -0.0005121300000000 ] - [ 0.0001355400000000, -0.0016219900000000, -0.0010370300000000 ] - [ 0.0004667100000000, -0.0005342300000000, -0.0016995600000000 ] - [ -0.0421130700000000, 0.0442884100000000, 0.0353826900000000 ] - [ -0.0002981200000000, -0.0013954400000000, 0.0077440100000000 ] - [ -0.0004583100000000, 0.0002006900000000, -0.0005625600000000 ] - [ 0.0004630700000000, -0.0005316400000000, -0.0006872900000000 ] - [ 0.0000000200000000, -0.0041964100000000, 0.0010306600000000 ] - [ -0.0026912200000000, 0.0052958700000000, -0.0052840800000000 ] - [ 0.0052158600000000, -0.0001511500000000, -0.0011060200000000 ] - [ -0.0003618700000000, -0.0002523600000000, 0.0002247800000000 ] - [ -0.0000625100000000, 0.0007064300000000, -0.0000907500000000 ] - [ 0.0004818600000000, -0.0005631600000000, 0.0007703800000000 ] - [ -0.0006956600000000, -0.0002318000000000, 0.0018384800000000 ] - [ 0.0001631400000000, -0.0021677400000000, 0.0009471400000000 ] - [ -0.0010136100000000, 0.0005535700000000, 0.0006024800000000 ] - [ -0.0004162800000000, 0.0001492400000000, -0.0006891100000000 ] - [ -0.0014386200000000, 0.0038426000000000, -0.0043867300000000 ] - [ 0.0012488100000000, 0.0004017300000000, -0.0017890700000000 ] - [ 0.0006014500000000, -0.0002104500000000, -0.0007348000000000 ] - [ 0.0001267900000000, -0.0002469900000000, 0.0000993600000000 ] - [ 0.0002705100000000, -0.0010961400000000, -0.0006276800000000 ] - [ -0.0011744500000000, -0.0011051200000000, -0.0028968300000000 ] - [ -0.0000024100000000, 0.0001630900000000, 0.0000464700000000 ] - [ 0.0001997700000000, -0.0007500200000000, -0.0002628300000000 ] - [ 0.0002767700000000, -0.0003707600000000, 0.0001398100000000 ] - [ -0.0051393400000000, -0.0009768000000000, 0.0018383400000000 ] - [ -0.0000023900000000, -0.0020338700000000, 0.0004774000000000 ] - [ 0.0003532100000000, 0.0070245400000000, -0.0093514100000000 ] - [ 0.0003555500000000, 0.0001138400000000, -0.0002300200000000 ] - [ -0.0014011500000000, -0.0007045800000000, -0.0002929000000000 ] - [ 0.0001614900000000, 0.0004297300000000, -0.0000674700000000 ] - [ -0.0001673000000000, -0.0021442000000000, -0.0017657300000000 ] - [ 0.0000868400000000, -0.0001331400000000, -0.0005411900000000 ] - [ 0.0002728600000000, -0.0003018600000000, 0.0007015700000000 ] - [ -0.0004326000000000, -0.0006470400000000, 0.0017277400000000 ] - [ 0.0000973800000000, -0.0002185500000000, -0.0001021300000000 ] - [ 0.0001657600000000, 0.0001490900000000, -0.0004289300000000 ] - [ -0.0004750300000000, -0.0009099400000000, -0.0003209600000000 ] - [ 0.0125457800000000, 0.0099294200000000, 0.0071063200000000 ] - [ 0.0000816600000000, -0.0000900600000000, 0.0000963400000000 ] - [ -0.0009276200000000, -0.0007998300000000, 0.0003164900000000 ] - [ 0.0020867200000000, 0.0000977800000000, 0.0022835600000000 ] - [ 0.0001786500000000, -0.0012621100000000, 0.0001678600000000 ] - [ -0.0000274100000000, -0.0003950000000000, 0.0000366500000000 ] - [ 0.0009220000000000, -0.0026977400000000, -0.0006107600000000 ] - [ -0.0002468700000000, 0.0001583200000000, -0.0002246200000000 ] - [ 0.0001744700000000, -0.0018305500000000, -0.0002054000000000 ] - [ -0.0000877100000000, 0.0001333800000000, -0.0005873000000000 ] - [ 0.0005660100000000, 0.0086924400000000, 0.0009019300000000 ] - [ 0.0000054400000000, 0.0002654600000000, 0.0006297200000000 ] - [ -0.0001239300000000, 0.0001214000000000, 0.0006864600000000 ] - [ -0.0001825400000000, -0.0029303400000000, -0.0003480100000000 ] - [ -0.0002106200000000, -0.0012709200000000, -0.0009083400000000 ] - [ 0.0006949600000000, 0.0014910800000000, -0.0002337900000000 ] - [ -0.0000693100000000, 0.0002217300000000, -0.0001339000000000 ] - [ 0.0016556000000000, 0.0030573400000000, -0.0006646300000000 ] - [ -0.0006129600000000, 0.0010837800000000, 0.0009802600000000 ] - [ 0.0009081900000000, -0.0003644000000000, 0.0006239600000000 ] - [ -0.0000442500000000, 0.0001982500000000, -0.0001093700000000 ]- atom: 33 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002783700000000, -0.0005638300000000, -0.0005602900000000 ] - [ 0.0002598600000000, -0.0004669100000000, -0.0003894500000000 ] - [ -0.0001147400000000, -0.0013878500000000, 0.0012032600000000 ] - [ 0.0002494100000000, 0.0002985000000000, -0.0003712600000000 ] - [ 0.0000049900000000, 0.0001589900000000, 0.0004128500000000 ] - [ -0.0007385100000000, -0.0011008900000000, -0.0012088800000000 ] - [ 0.0002620100000000, 0.0005888400000000, 0.0001332900000000 ] - [ 0.0102343600000000, -0.0059201900000000, 0.0086134000000000 ] - [ -0.0005716800000000, -0.0016222800000000, 0.0006853700000000 ] - [ 0.0002205600000000, -0.0003423400000000, -0.0000433800000000 ] - [ 0.0013730300000000, -0.0009369200000000, -0.0007872900000000 ] - [ 0.0003711300000000, -0.0044497000000000, 0.0021226600000000 ] - [ -0.0000960100000000, -0.0000760700000000, -0.0001583800000000 ] - [ -0.0012554900000000, -0.0056434900000000, 0.0001674800000000 ] - [ 0.0005233100000000, -0.0016567800000000, -0.0003097500000000 ] - [ 0.0002931400000000, -0.0002901800000000, -0.0001479400000000 ] - [ 0.0001230200000000, 0.0009257000000000, -0.0000030000000000 ] - [ -0.0024572600000000, 0.0004952900000000, 0.0016422600000000 ] - [ -0.0001722500000000, 0.0000934700000000, -0.0001350200000000 ] - [ 0.0002830000000000, 0.0005758100000000, -0.0000640100000000 ] - [ -0.0001231600000000, -0.0010972200000000, 0.0000702800000000 ] - [ 0.0000023400000000, -0.0008832600000000, 0.0001533600000000 ] - [ 0.0000740400000000, -0.0003692700000000, -0.0001242500000000 ] - [ 0.0127954900000000, -0.0031789000000000, -0.0019265300000000 ] - [ 0.0006913500000000, 0.0017081500000000, -0.0000866400000000 ] - [ -0.0003627100000000, -0.0008853900000000, 0.0005275600000000 ] - [ -0.0010640200000000, 0.0016445200000000, -0.0005624600000000 ] - [ -0.0001370500000000, 0.0000972600000000, 0.0000486800000000 ] - [ 0.0006517200000000, -0.0020456100000000, 0.0001149400000000 ] - [ 0.0001097800000000, 0.0015190700000000, 0.0004487400000000 ] - [ 0.0000871200000000, -0.0005026600000000, -0.0001654000000000 ] - [ -0.0001142100000000, -0.0002458400000000, -0.0000986600000000 ] - [ -0.0395146200000000, 0.0876267900000000, 0.0458121000000000 ] - [ 0.0007149300000000, -0.0003950000000000, -0.0000309400000000 ] - [ -0.0007145400000000, -0.0003110300000000, -0.0001703700000000 ] - [ 0.0003595600000000, 0.0004625400000000, 0.0003288200000000 ] - [ 0.0002371200000000, -0.0001139800000000, -0.0003147000000000 ] - [ -0.0001390500000000, 0.0008155000000000, -0.0002633200000000 ] - [ -0.0000493600000000, -0.0005040000000000, -0.0001552800000000 ] - [ -0.0002708000000000, -0.0009690700000000, -0.0002569100000000 ] - [ -0.0001822300000000, -0.0000150000000000, -0.0168098100000000 ] - [ 0.0011756100000000, -0.0006830100000000, -0.0007154700000000 ] - [ 0.0000888500000000, -0.0003332700000000, 0.0000005100000000 ] - [ -0.0002522800000000, -0.0011486200000000, 0.0003350300000000 ] - [ -0.0002044700000000, -0.0006841800000000, -0.0002056300000000 ] - [ 0.0013869100000000, 0.0005506000000000, 0.0009092300000000 ] - [ -0.0003872900000000, -0.0000599600000000, 0.0002896400000000 ] - [ -0.0001502100000000, -0.0014004400000000, -0.0001153200000000 ] - [ -0.0012128600000000, -0.0000631800000000, -0.0001235600000000 ] - [ -0.0000379200000000, 0.0029460700000000, 0.0014407600000000 ] - [ -0.0001468000000000, 0.0001062900000000, -0.0002541800000000 ] - [ 0.0002136700000000, 0.0000345000000000, -0.0004178900000000 ] - [ -0.0034265400000000, -0.0039099200000000, 0.0050715000000000 ] - [ -0.0003646100000000, -0.0002131800000000, 0.0001712100000000 ] - [ 0.0002518800000000, -0.0009979600000000, 0.0004009300000000 ] - [ 0.0001104400000000, -0.0003608400000000, 0.0003753200000000 ] - [ 0.0001383700000000, 0.0004358900000000, 0.0000154000000000 ] - [ -0.0007311700000000, 0.0006851700000000, -0.0008355600000000 ] - [ 0.0004425200000000, -0.0007264600000000, -0.0009219700000000 ] - [ -0.0001269400000000, -0.0001724800000000, 0.0000237200000000 ] - [ -0.0004427700000000, -0.0014119600000000, -0.0012677800000000 ] - [ 0.0000203900000000, -0.0002123600000000, 0.0000018900000000 ] - [ -0.0000886300000000, 0.0003864600000000, 0.0000674300000000 ] - [ 0.0022407100000000, 0.0011702200000000, -0.0065055100000000 ] - [ 0.0002558700000000, -0.0004511800000000, -0.0002821100000000 ] - [ -0.0002335100000000, -0.0000351700000000, 0.0000924800000000 ] - [ -0.0001860900000000, -0.0014437700000000, -0.0000967900000000 ] - [ -0.0000346100000000, -0.0003303400000000, 0.0001560400000000 ] - [ -0.0001925600000000, 0.0006983300000000, -0.0003858700000000 ] - [ 0.0010635500000000, 0.0018756400000000, 0.0002421400000000 ] - [ 0.0003895500000000, 0.0011194300000000, -0.0002235700000000 ] - [ 0.0005286400000000, -0.0002701700000000, 0.0000846200000000 ] - [ -0.0000835500000000, -0.0003894600000000, 0.0001402200000000 ] - [ -0.0008384600000000, 0.0004550400000000, 0.0004085100000000 ] - [ 0.0003258600000000, -0.0005749000000000, 0.0001386600000000 ] - [ -0.0010844500000000, -0.0017657800000000, 0.0002184300000000 ] - [ 0.0001689500000000, 0.0000413000000000, -0.0000029500000000 ] - [ 0.0004076400000000, -0.0006173200000000, -0.0000818400000000 ] - [ 0.0009443600000000, 0.0006890800000000, -0.0019928700000000 ] - [ -0.0038133800000000, 0.0041325300000000, 0.0025224600000000 ] - [ -0.0002765100000000, -0.0005545600000000, 0.0003329600000000 ] - [ 0.0008679200000000, -0.0010020900000000, -0.0004596300000000 ] - [ -0.0008655500000000, 0.0007557200000000, -0.0008558400000000 ] - [ 0.0007104400000000, -0.0013456800000000, 0.0004162900000000 ] - [ 0.0000923700000000, 0.0009034700000000, -0.0000752300000000 ] - [ 0.0000490100000000, -0.0007480200000000, 0.0001925000000000 ] - [ 0.0001394300000000, -0.0003233400000000, -0.0001141500000000 ] - [ -0.0004195300000000, 0.0002946500000000, -0.0003840800000000 ] - [ 0.0001588800000000, -0.0000730400000000, 0.0000362800000000 ] - [ 0.0000911800000000, -0.0000764400000000, -0.0002489200000000 ] - [ -0.0088338800000000, -0.0021780100000000, -0.0029256000000000 ] - [ -0.0001321600000000, 0.0001573700000000, 0.0001971900000000 ] - [ -0.0001208200000000, 0.0005011700000000, -0.0001637900000000 ] - [ 0.0004979500000000, -0.0006478900000000, 0.0002470700000000 ] - [ -0.0010253900000000, -0.0001118100000000, 0.0006208000000000 ] - [ -0.0003068700000000, 0.0005484200000000, -0.0000183900000000 ] - [ 0.0006009600000000, -0.0010063200000000, 0.0005866500000000 ] - [ 0.0007823000000000, 0.0012273300000000, -0.0000110300000000 ] - [ 0.0006318700000000, -0.0025971400000000, 0.0000915000000000 ] - [ -0.0000863100000000, 0.0010806700000000, 0.0004030100000000 ] - [ -0.0011187700000000, 0.0019014200000000, -0.0010170700000000 ] - [ 0.0004222600000000, 0.0004641700000000, -0.0004911000000000 ] - [ -0.0010273200000000, 0.0016973700000000, 0.0001752600000000 ] - [ 0.0427119100000000, -0.0442137300000000, -0.0364737900000000 ] - [ 0.0002838700000000, 0.0013896900000000, -0.0077737200000000 ] - [ 0.0004584900000000, -0.0002047500000000, 0.0005605200000000 ] - [ -0.0004653900000000, 0.0005342800000000, 0.0006888300000000 ] - [ -0.0000019800000000, 0.0041687300000000, -0.0010288200000000 ] - [ 0.0027019300000000, -0.0053187300000000, 0.0053201200000000 ] - [ -0.0052313900000000, 0.0001471600000000, 0.0011105700000000 ] - [ 0.0003617000000000, 0.0002535700000000, -0.0002242200000000 ] - [ 0.0000625700000000, -0.0007071000000000, 0.0000913400000000 ] - [ 0.0006789800000000, 0.0011217700000000, 0.0007607600000000 ] - [ 0.0001422600000000, 0.0013909400000000, -0.0003118500000000 ] - [ 0.0003976900000000, 0.0010099100000000, 0.0005821900000000 ] - [ -0.0001453200000000, -0.0011136900000000, 0.0009275500000000 ] - [ -0.0007442600000000, -0.0007056400000000, -0.0008376000000000 ] - [ 0.0019885500000000, -0.0050152000000000, 0.0028652400000000 ] - [ -0.0018132200000000, 0.0007614600000000, 0.0002698100000000 ] - [ 0.0005582900000000, 0.0007681900000000, -0.0007934300000000 ] - [ -0.0001287800000000, 0.0002487200000000, -0.0001008900000000 ] - [ -0.0002710500000000, 0.0011019600000000, 0.0006338800000000 ] - [ 0.0011736300000000, 0.0011014500000000, 0.0029039600000000 ] - [ 0.0000011200000000, -0.0001654700000000, -0.0000450800000000 ] - [ -0.0002006500000000, 0.0007507300000000, 0.0002632500000000 ] - [ -0.0002767100000000, 0.0003734700000000, -0.0001369800000000 ] - [ 0.0051617800000000, 0.0009419900000000, -0.0018506300000000 ] - [ 0.0000026500000000, 0.0020401200000000, -0.0004809300000000 ] - [ -0.0003326300000000, -0.0071116400000000, 0.0092562800000000 ] - [ -0.0003566800000000, -0.0001151200000000, 0.0002312100000000 ] - [ 0.0013953200000000, 0.0007057400000000, 0.0002909500000000 ] - [ -0.0001636200000000, -0.0004307500000000, 0.0000682100000000 ] - [ 0.0001742300000000, 0.0021547500000000, 0.0008411100000000 ] - [ -0.0000884900000000, 0.0001338900000000, -0.0003746500000000 ] - [ -0.0002738100000000, 0.0003029100000000, 0.0002134300000000 ] - [ 0.0004308800000000, 0.0006468100000000, -0.0008054000000000 ] - [ -0.0000875600000000, -0.0008953900000000, -0.0002592200000000 ] - [ 0.0009495200000000, -0.0001363600000000, 0.0000682100000000 ] - [ -0.0006384800000000, 0.0009031200000000, -0.0000403700000000 ] - [ -0.0123236300000000, -0.0088733900000000, -0.0073876600000000 ] - [ -0.0000926200000000, 0.0012037600000000, 0.0002662700000000 ] - [ -0.0001872900000000, 0.0007903700000000, 0.0000461200000000 ] - [ -0.0009701400000000, -0.0000834000000000, -0.0019228300000000 ] - [ -0.0001702300000000, 0.0001494100000000, 0.0001933800000000 ] - [ 0.0000266300000000, 0.0003951200000000, -0.0000368000000000 ] - [ -0.0009224900000000, 0.0027043900000000, 0.0006076300000000 ] - [ 0.0002476500000000, -0.0001601900000000, 0.0002261700000000 ] - [ -0.0001746600000000, 0.0018322400000000, 0.0002056900000000 ] - [ 0.0000876800000000, -0.0001351300000000, -0.0003287200000000 ] - [ -0.0004151500000000, -0.0097389800000000, -0.0021496200000000 ] - [ -0.0000047300000000, -0.0002676600000000, 0.0002864900000000 ] - [ 0.0001226500000000, -0.0001235500000000, 0.0002299800000000 ] - [ 0.0001945100000000, 0.0018239600000000, -0.0000132800000000 ] - [ 0.0013271800000000, 0.0012822100000000, 0.0005480800000000 ] - [ -0.0018139800000000, -0.0015052100000000, -0.0001265300000000 ] - [ 0.0000594000000000, 0.0008918100000000, -0.0002271300000000 ] - [ -0.0016748500000000, -0.0019409800000000, 0.0010206900000000 ] - [ -0.0005014100000000, -0.0010985000000000, -0.0006088400000000 ] - [ 0.0002033000000000, 0.0003746200000000, -0.0002639200000000 ] - [ 0.0000555200000000, -0.0013135200000000, 0.0004719300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004277900000000, 0.0000133900000000, 0.0007163200000000 ] - [ 0.0001248900000000, -0.0001205500000000, -0.0003094000000000 ] - [ -0.0000435600000000, -0.0010384600000000, 0.0002144400000000 ] - [ -0.0002015400000000, 0.0002378900000000, -0.0007750000000000 ] - [ -0.0000819800000000, 0.0001503300000000, 0.0006555100000000 ] - [ 0.0007188500000000, 0.0025306600000000, 0.0036484600000000 ] - [ 0.0000812800000000, 0.0002339100000000, -0.0000958800000000 ] - [ 0.0053378500000000, -0.0062536900000000, -0.0012393200000000 ] - [ -0.0006694900000000, -0.0006338400000000, -0.0006940800000000 ] - [ -0.0003328400000000, 0.0003394200000000, -0.0004117600000000 ] - [ -0.0004428300000000, 0.0001763300000000, -0.0002202600000000 ] - [ 0.0010310700000000, -0.0076960400000000, -0.0006073400000000 ] - [ -0.0002985700000000, 0.0000225600000000, 0.0001478000000000 ] - [ 0.0002060700000000, 0.0015303100000000, -0.0025911800000000 ] - [ -0.0000124800000000, 0.0002813800000000, -0.0014582400000000 ] - [ -0.0000644600000000, 0.0002403900000000, 0.0001440300000000 ] - [ 0.0002221300000000, -0.0001756500000000, -0.0009322600000000 ] - [ -0.0064401100000000, -0.0029695300000000, 0.0005786000000000 ] - [ 0.0008261600000000, -0.0002493700000000, 0.0006129700000000 ] - [ 0.0001450900000000, 0.0001795700000000, -0.0009827700000000 ] - [ -0.0005207900000000, 0.0002923200000000, -0.0004448200000000 ] - [ 0.0001002000000000, -0.0002945500000000, 0.0001566100000000 ] - [ -0.0002885100000000, 0.0005726500000000, -0.0000001900000000 ] - [ -0.0030256100000000, 0.0019787800000000, -0.0044795800000000 ] - [ -0.0001241600000000, 0.0005049100000000, -0.0011180200000000 ] - [ -0.0001898600000000, -0.0000956200000000, 0.0002440600000000 ] - [ 0.0031279000000000, -0.0012511700000000, 0.0024015300000000 ] - [ -0.0001056100000000, -0.0004673800000000, 0.0009925300000000 ] - [ 0.0003559700000000, -0.0010755200000000, -0.0004338900000000 ] - [ 0.0015343600000000, -0.0006867600000000, -0.0014950700000000 ] - [ -0.0005029200000000, 0.0002002900000000, -0.0003150500000000 ] - [ -0.0000782100000000, 0.0001547200000000, 0.0002129500000000 ] - [ 0.0745188400000000, -0.0471818500000000, -0.1453497000000000 ] - [ -0.0002447700000000, 0.0001161500000000, 0.0004189100000000 ] - [ 0.0001054700000000, 0.0007060100000000, 0.0004153400000000 ] - [ 0.0004262900000000, 0.0002569400000000, 0.0009842400000000 ] - [ 0.0002523900000000, 0.0002411800000000, -0.0005934300000000 ] - [ -0.0000398600000000, -0.0002603500000000, 0.0004400800000000 ] - [ -0.0002651900000000, -0.0014316600000000, -0.0009483800000000 ] - [ -0.0001861000000000, -0.0001820200000000, 0.0001079800000000 ] - [ -0.0004527300000000, 0.0131843500000000, 0.0241812700000000 ] - [ -0.0007276400000000, 0.0003985300000000, -0.0012129400000000 ] - [ 0.0002629200000000, -0.0001992200000000, 0.0005800100000000 ] - [ 0.0000310400000000, -0.0000832700000000, -0.0003283400000000 ] - [ -0.0002662500000000, -0.0001590000000000, -0.0005265400000000 ] - [ 0.0007451300000000, -0.0003997100000000, -0.0001712600000000 ] - [ -0.0004405400000000, -0.0005887700000000, 0.0008764600000000 ] - [ -0.0003294800000000, -0.0000846500000000, -0.0004224400000000 ] - [ -0.0006396700000000, -0.0007356800000000, -0.0017034900000000 ] - [ 0.0007078000000000, -0.0026855300000000, 0.0013377600000000 ] - [ -0.0002635300000000, -0.0002679500000000, -0.0003308500000000 ] - [ -0.0002260100000000, 0.0002945800000000, 0.0007406000000000 ] - [ -0.0001038600000000, -0.0019489500000000, -0.0011546600000000 ] - [ -0.0001712100000000, 0.0000464000000000, -0.0000453700000000 ] - [ 0.0002624400000000, 0.0006531800000000, 0.0006904600000000 ] - [ -0.0000373800000000, -0.0003024100000000, 0.0007061400000000 ] - [ -0.0001662500000000, -0.0001934900000000, 0.0004196400000000 ] - [ 0.0007028800000000, 0.0004315700000000, 0.0017847000000000 ] - [ -0.0003323800000000, 0.0010072600000000, 0.0019554400000000 ] - [ -0.0002117500000000, -0.0002201800000000, 0.0001678400000000 ] - [ 0.0009885400000000, 0.0018732900000000, 0.0004216000000000 ] - [ 0.0001598800000000, -0.0002016900000000, 0.0005443600000000 ] - [ -0.0002837300000000, 0.0002355900000000, 0.0006018500000000 ] - [ -0.0031256300000000, 0.0077053700000000, 0.0087770800000000 ] - [ 0.0004741000000000, 0.0003623300000000, 0.0004373000000000 ] - [ -0.0002222100000000, 0.0001083300000000, 0.0002826700000000 ] - [ 0.0002596400000000, -0.0001549100000000, -0.0003598800000000 ] - [ 0.0000969100000000, 0.0002674900000000, 0.0006802000000000 ] - [ -0.0007689600000000, -0.0003858100000000, 0.0012120800000000 ] - [ 0.0078253000000000, 0.0004010300000000, 0.0038124100000000 ] - [ -0.0009543400000000, 0.0008828600000000, 0.0007037600000000 ] - [ 0.0002136400000000, 0.0000682700000000, 0.0004069900000000 ] - [ 0.0001324700000000, 0.0004658900000000, 0.0006163400000000 ] - [ -0.0017412800000000, 0.0002173000000000, 0.0006876900000000 ] - [ 0.0003777000000000, 0.0000413600000000, 0.0000660300000000 ] - [ 0.0001090800000000, 0.0001046900000000, -0.0006770300000000 ] - [ 0.0002834400000000, -0.0008123400000000, 0.0009223600000000 ] - [ 0.0003789400000000, 0.0000085400000000, 0.0001872300000000 ] - [ -0.0020634700000000, -0.0000415600000000, 0.0032696900000000 ] - [ -0.0086313100000000, -0.0030474800000000, 0.0009352800000000 ] - [ -0.0004542600000000, -0.0002590900000000, 0.0006675400000000 ] - [ -0.0009319900000000, 0.0012693700000000, 0.0007851500000000 ] - [ 0.0005305000000000, 0.0013465200000000, 0.0007898500000000 ] - [ 0.0003042200000000, 0.0003468700000000, -0.0004729600000000 ] - [ 0.0000244100000000, -0.0000033600000000, 0.0012000400000000 ] - [ -0.0000794400000000, 0.0004823600000000, -0.0009485400000000 ] - [ 0.0001867800000000, -0.0006863300000000, 0.0004394800000000 ] - [ -0.0008538400000000, -0.0003094700000000, -0.0008250100000000 ] - [ 0.0000992300000000, 0.0002588600000000, 0.0002975300000000 ] - [ -0.0004991700000000, 0.0006576600000000, 0.0014108300000000 ] - [ 0.0044043700000000, 0.0027044100000000, -0.0028748600000000 ] - [ -0.0001996000000000, -0.0002265200000000, 0.0005857700000000 ] - [ 0.0004743600000000, -0.0001191700000000, 0.0021562900000000 ] - [ 0.0005728300000000, -0.0004029900000000, 0.0003388900000000 ] - [ -0.0004170700000000, -0.0011559800000000, 0.0004436300000000 ] - [ -0.0004353600000000, -0.0000988200000000, 0.0012171000000000 ] - [ 0.0008256300000000, 0.0001411000000000, 0.0019740400000000 ] - [ 0.0017156500000000, 0.0030875500000000, -0.0008211600000000 ] - [ -0.0014300400000000, 0.0009570500000000, -0.0003605500000000 ] - [ -0.0004697000000000, -0.0002734700000000, 0.0013738000000000 ] - [ -0.0004475900000000, -0.0001149300000000, 0.0001230000000000 ] - [ 0.0000048600000000, -0.0008673300000000, -0.0012086800000000 ] - [ 0.0002380600000000, -0.0001005100000000, -0.0003795200000000 ] - [ -0.0727120900000000, 0.0369287600000000, 0.0814831400000000 ] - [ -0.0008658300000000, 0.0049300500000000, -0.0015456100000000 ] - [ 0.0003227600000000, -0.0000583100000000, 0.0010448500000000 ] - [ 0.0003745900000000, -0.0003052800000000, 0.0000877700000000 ] - [ 0.0023266500000000, 0.0018793000000000, 0.0048807500000000 ] - [ -0.0047060700000000, 0.0041240300000000, -0.0117693800000000 ] - [ -0.0020501700000000, 0.0002631100000000, 0.0024781300000000 ] - [ -0.0000953400000000, 0.0003337200000000, -0.0012114800000000 ] - [ 0.0001989500000000, 0.0000072800000000, 0.0004823300000000 ] - [ 0.0004707900000000, 0.0000747000000000, -0.0001260100000000 ] - [ -0.0003719600000000, 0.0012022700000000, 0.0000317000000000 ] - [ -0.0002637800000000, -0.0005026800000000, 0.0009585800000000 ] - [ -0.0005063000000000, -0.0002453300000000, -0.0020737700000000 ] - [ -0.0009942200000000, -0.0001440200000000, -0.0019992700000000 ] - [ -0.0041332600000000, -0.0029111400000000, 0.0011123700000000 ] - [ 0.0021571700000000, -0.0010914100000000, -0.0027476200000000 ] - [ 0.0007615600000000, 0.0001609600000000, -0.0011022700000000 ] - [ 0.0000906600000000, 0.0002165300000000, -0.0003017800000000 ] - [ 0.0005812500000000, -0.0015834400000000, -0.0023427200000000 ] - [ -0.0033161400000000, -0.0035535200000000, -0.0046763400000000 ] - [ 0.0001784500000000, 0.0002239800000000, -0.0008828200000000 ] - [ 0.0001267200000000, -0.0000402400000000, 0.0001860700000000 ] - [ 0.0000918400000000, 0.0000706900000000, -0.0014746800000000 ] - [ 0.0011476000000000, 0.0042790600000000, 0.0055637300000000 ] - [ -0.0001268200000000, 0.0001213200000000, -0.0004892700000000 ] - [ -0.0025340400000000, -0.0078580200000000, 0.0214237600000000 ] - [ 0.0005660700000000, -0.0000827400000000, -0.0009917000000000 ] - [ -0.0004099700000000, -0.0000305900000000, 0.0006605600000000 ] - [ 0.0003950800000000, -0.0000061200000000, -0.0003327000000000 ] - [ -0.0010104700000000, -0.0036159100000000, 0.0001240400000000 ] - [ 0.0001564100000000, -0.0000534200000000, -0.0009061200000000 ] - [ 0.0003081900000000, 0.0000115300000000, 0.0010378300000000 ] - [ 0.0003175500000000, 0.0010076800000000, -0.0010356000000000 ] - [ 0.0002136000000000, -0.0005095300000000, -0.0010365600000000 ] - [ -0.0003153200000000, -0.0005017000000000, -0.0005141500000000 ] - [ -0.0002494600000000, -0.0005302300000000, -0.0005162600000000 ] - [ 0.0106862000000000, 0.0069741700000000, 0.0110195900000000 ] - [ 0.0001193600000000, -0.0000058600000000, -0.0003349200000000 ] - [ -0.0003669100000000, 0.0001960400000000, 0.0002961800000000 ] - [ -0.0014297500000000, 0.0013727600000000, 0.0013436400000000 ] - [ -0.0000437800000000, -0.0005351000000000, 0.0005483200000000 ] - [ 0.0001105200000000, -0.0000180700000000, -0.0001331300000000 ] - [ 0.0003466400000000, -0.0011683900000000, 0.0008465700000000 ] - [ -0.0003640000000000, -0.0002952400000000, -0.0010815200000000 ] - [ 0.0001041500000000, -0.0005786100000000, 0.0002803100000000 ] - [ -0.0001187600000000, -0.0001255200000000, -0.0007413300000000 ] - [ -0.0006302900000000, -0.0004095500000000, 0.0046614400000000 ] - [ -0.0002070500000000, 0.0005685500000000, -0.0015606700000000 ] - [ 0.0002847200000000, 0.0002256000000000, 0.0005891800000000 ] - [ -0.0000402800000000, -0.0003633800000000, 0.0004530200000000 ] - [ -0.0001203900000000, -0.0007353400000000, -0.0000149600000000 ] - [ 0.0022997600000000, -0.0005288100000000, -0.0000315800000000 ] - [ -0.0000357100000000, 0.0005063900000000, -0.0005538000000000 ] - [ 0.0021227300000000, -0.0000648700000000, 0.0014913200000000 ] - [ 0.0005298400000000, 0.0007303300000000, -0.0021414700000000 ] - [ 0.0003628300000000, 0.0001997400000000, -0.0001202500000000 ] - [ -0.0001327500000000, 0.0000682800000000, -0.0028762900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005046700000000, -0.0004712100000000, -0.0014256600000000 ] - [ 0.0003363000000000, 0.0000427700000000, -0.0004044200000000 ] - [ -0.0004153500000000, 0.0011136200000000, -0.0009336400000000 ] - [ 0.0002775200000000, 0.0002250600000000, 0.0000616300000000 ] - [ 0.0001627700000000, 0.0003098900000000, 0.0000602500000000 ] - [ -0.0011694600000000, -0.0024378400000000, -0.0029141800000000 ] - [ 0.0003792900000000, -0.0003106100000000, 0.0008112900000000 ] - [ -0.0053857700000000, 0.0057897300000000, 0.0019108300000000 ] - [ 0.0010548400000000, 0.0008591500000000, 0.0005208900000000 ] - [ 0.0001062400000000, 0.0000421600000000, 0.0002344000000000 ] - [ 0.0006785700000000, -0.0005647400000000, 0.0000376100000000 ] - [ -0.0014278000000000, 0.0075109900000000, 0.0004451900000000 ] - [ -0.0000849300000000, -0.0002506000000000, 0.0000263700000000 ] - [ 0.0000223200000000, -0.0019524500000000, 0.0027619600000000 ] - [ -0.0002127200000000, 0.0000974400000000, 0.0016344600000000 ] - [ 0.0004468100000000, -0.0000135400000000, 0.0000307100000000 ] - [ 0.0004917300000000, 0.0002185400000000, 0.0007808400000000 ] - [ 0.0064349100000000, 0.0036976000000000, -0.0007043300000000 ] - [ -0.0007813800000000, -0.0004645200000000, -0.0007608100000000 ] - [ 0.0001290000000000, 0.0001691200000000, 0.0007379600000000 ] - [ -0.0001943800000000, -0.0003360600000000, 0.0002952300000000 ] - [ -0.0000553700000000, -0.0004186200000000, -0.0000110900000000 ] - [ 0.0002457800000000, 0.0001398100000000, 0.0001488400000000 ] - [ 0.0037765100000000, -0.0019486000000000, 0.0045908300000000 ] - [ 0.0001461200000000, -0.0000440900000000, 0.0013193900000000 ] - [ -0.0002599600000000, 0.0001306400000000, -0.0000464100000000 ] - [ -0.0026630700000000, 0.0012114500000000, -0.0022053600000000 ] - [ 0.0000706500000000, 0.0000148800000000, -0.0007929700000000 ] - [ -0.0003920200000000, 0.0006235800000000, 0.0002374400000000 ] - [ -0.0010878200000000, 0.0006570500000000, 0.0013074200000000 ] - [ 0.0000538200000000, -0.0001677200000000, 0.0001183100000000 ] - [ 0.0001116600000000, 0.0002963700000000, -0.0004092500000000 ] - [ -0.0724082900000000, 0.0439712200000000, 0.1460431000000000 ] - [ 0.0008513700000000, -0.0007580500000000, 0.0003350000000000 ] - [ -0.0007087800000000, -0.0000681000000000, 0.0003319400000000 ] - [ 0.0002117500000000, 0.0003485700000000, -0.0002323100000000 ] - [ 0.0003882600000000, 0.0003619100000000, -0.0001608400000000 ] - [ -0.0005611200000000, 0.0009000300000000, -0.0011955900000000 ] - [ 0.0008710300000000, 0.0007985500000000, 0.0002008800000000 ] - [ -0.0004544700000000, -0.0004234600000000, -0.0008600300000000 ] - [ 0.0007121500000000, -0.0124903500000000, -0.0235244100000000 ] - [ 0.0003813000000000, -0.0001246700000000, 0.0014646600000000 ] - [ 0.0000878200000000, -0.0000758200000000, -0.0003331200000000 ] - [ -0.0003060600000000, -0.0002656900000000, 0.0005763100000000 ] - [ -0.0000082700000000, -0.0001902500000000, 0.0002778500000000 ] - [ -0.0003982100000000, 0.0001245500000000, -0.0000808100000000 ] - [ 0.0000895600000000, 0.0008625900000000, -0.0011223700000000 ] - [ -0.0003851800000000, 0.0000385500000000, 0.0005696300000000 ] - [ 0.0005596900000000, 0.0002738800000000, 0.0009870300000000 ] - [ -0.0002422300000000, 0.0025891100000000, -0.0020355200000000 ] - [ -0.0001978300000000, 0.0003473700000000, -0.0003820800000000 ] - [ 0.0003018800000000, 0.0001679300000000, -0.0014511000000000 ] - [ 0.0001849700000000, 0.0024034800000000, 0.0018540400000000 ] - [ -0.0002897800000000, 0.0000291100000000, 0.0007598900000000 ] - [ 0.0001986000000000, -0.0007257300000000, 0.0000218500000000 ] - [ -0.0000415500000000, -0.0001589800000000, 0.0000099000000000 ] - [ 0.0005494100000000, 0.0004219700000000, -0.0005977100000000 ] - [ -0.0009350900000000, -0.0000485900000000, -0.0019650900000000 ] - [ 0.0005629800000000, -0.0013977000000000, -0.0021405400000000 ] - [ -0.0001725500000000, -0.0000080900000000, -0.0003459900000000 ] - [ -0.0013802000000000, -0.0021125300000000, -0.0002464400000000 ] - [ 0.0000680200000000, -0.0001823500000000, -0.0003675700000000 ] - [ 0.0000559500000000, 0.0001484100000000, -0.0004251800000000 ] - [ 0.0035801200000000, -0.0075619000000000, -0.0087025900000000 ] - [ 0.0002401300000000, -0.0003207200000000, -0.0005846700000000 ] - [ 0.0001785400000000, 0.0006055500000000, -0.0004311100000000 ] - [ -0.0002171200000000, -0.0005612800000000, 0.0002136100000000 ] - [ 0.0001780700000000, 0.0000797900000000, -0.0009307000000000 ] - [ 0.0000547300000000, 0.0003469200000000, -0.0013615300000000 ] - [ -0.0078624800000000, -0.0011173800000000, -0.0037051400000000 ] - [ 0.0009045700000000, -0.0001701300000000, -0.0005623300000000 ] - [ 0.0005014800000000, -0.0000252500000000, -0.0002600300000000 ] - [ -0.0000983600000000, -0.0000150400000000, -0.0004176400000000 ] - [ 0.0012924000000000, -0.0001840700000000, -0.0004915300000000 ] - [ 0.0000730600000000, -0.0000772800000000, 0.0001338900000000 ] - [ -0.0001438000000000, -0.0005551000000000, 0.0008758100000000 ] - [ -0.0003182300000000, 0.0003650400000000, -0.0011201800000000 ] - [ 0.0000710500000000, -0.0000421000000000, -0.0003874600000000 ] - [ 0.0015978400000000, 0.0000757300000000, -0.0034507200000000 ] - [ 0.0085661600000000, 0.0034648700000000, -0.0011251000000000 ] - [ -0.0001844300000000, -0.0003458700000000, 0.0000841000000000 ] - [ 0.0015268800000000, -0.0018998200000000, -0.0000372800000000 ] - [ -0.0011369700000000, -0.0007129400000000, -0.0000342300000000 ] - [ 0.0003354000000000, 0.0002611200000000, 0.0012248300000000 ] - [ 0.0006069800000000, 0.0005980000000000, -0.0019084000000000 ] - [ -0.0005240500000000, 0.0001537800000000, 0.0001998300000000 ] - [ 0.0004146600000000, 0.0000433400000000, -0.0011931000000000 ] - [ 0.0002099500000000, -0.0002938200000000, 0.0000703200000000 ] - [ 0.0001772700000000, 0.0000905600000000, -0.0000459100000000 ] - [ 0.0001488300000000, -0.0003807800000000, -0.0011611600000000 ] - [ -0.0040476400000000, -0.0029764100000000, 0.0031499600000000 ] - [ -0.0000775600000000, -0.0001224800000000, -0.0003353000000000 ] - [ -0.0007449000000000, -0.0002256400000000, -0.0023995600000000 ] - [ -0.0002251400000000, 0.0001286300000000, -0.0005847300000000 ] - [ 0.0000692100000000, 0.0014290200000000, -0.0006938800000000 ] - [ -0.0002819600000000, 0.0000547100000000, -0.0010707900000000 ] - [ 0.0003413400000000, 0.0004178700000000, -0.0004458200000000 ] - [ -0.0022621600000000, -0.0019249700000000, 0.0023475400000000 ] - [ 0.0019814000000000, -0.0021131700000000, 0.0018919200000000 ] - [ -0.0006904800000000, -0.0002821600000000, 0.0001547600000000 ] - [ -0.0007117800000000, -0.0004410400000000, -0.0016489400000000 ] - [ 0.0005525800000000, -0.0002908200000000, -0.0003184800000000 ] - [ -0.0007966200000000, 0.0012651400000000, -0.0011514000000000 ] - [ 0.0706740100000000, -0.0348351000000000, -0.0815295900000000 ] - [ 0.0008346700000000, -0.0048788600000000, 0.0015565100000000 ] - [ -0.0003208200000000, 0.0000569300000000, -0.0010471400000000 ] - [ -0.0003764700000000, 0.0003085300000000, -0.0000810300000000 ] - [ -0.0023375600000000, -0.0018614000000000, -0.0048967600000000 ] - [ 0.0046796000000000, -0.0041058500000000, 0.0117208000000000 ] - [ 0.0020574000000000, -0.0002737000000000, -0.0024848500000000 ] - [ 0.0000923600000000, -0.0003334600000000, 0.0012096700000000 ] - [ -0.0001995000000000, -0.0000086400000000, -0.0004861600000000 ] - [ 0.0006887000000000, 0.0004824700000000, 0.0016540500000000 ] - [ -0.0001850400000000, -0.0000410800000000, 0.0015006900000000 ] - [ 0.0008228000000000, -0.0006542300000000, 0.0005662100000000 ] - [ -0.0006497400000000, -0.0003196100000000, 0.0035950400000000 ] - [ -0.0001611800000000, -0.0004163400000000, 0.0004716100000000 ] - [ 0.0046946700000000, 0.0017645000000000, -0.0026641000000000 ] - [ -0.0026943500000000, 0.0022431700000000, 0.0012189900000000 ] - [ 0.0003976800000000, 0.0003964300000000, -0.0004261200000000 ] - [ -0.0000913400000000, -0.0002162000000000, 0.0002995300000000 ] - [ -0.0005767800000000, 0.0015751900000000, 0.0023363000000000 ] - [ 0.0033284000000000, 0.0035643900000000, 0.0046874300000000 ] - [ -0.0001781600000000, -0.0002234500000000, 0.0008840400000000 ] - [ -0.0001273200000000, 0.0000418000000000, -0.0001869200000000 ] - [ -0.0000913600000000, -0.0000727900000000, 0.0014715800000000 ] - [ -0.0011576600000000, -0.0042750700000000, -0.0055512200000000 ] - [ 0.0001251500000000, -0.0001226800000000, 0.0004927800000000 ] - [ 0.0028457600000000, 0.0085464400000000, -0.0230438400000000 ] - [ -0.0005689200000000, 0.0000831400000000, 0.0009933400000000 ] - [ 0.0004168400000000, 0.0000341700000000, -0.0006587500000000 ] - [ -0.0003939900000000, 0.0000051200000000, 0.0003343600000000 ] - [ 0.0010012200000000, 0.0035949200000000, -0.0010274400000000 ] - [ -0.0001558000000000, 0.0000536100000000, -0.0000102200000000 ] - [ -0.0003098500000000, -0.0000101900000000, -0.0001233600000000 ] - [ -0.0003169100000000, -0.0010047200000000, 0.0019478900000000 ] - [ -0.0002037100000000, -0.0006045800000000, 0.0006750100000000 ] - [ 0.0014246600000000, 0.0005113600000000, 0.0001554800000000 ] - [ -0.0008627000000000, 0.0005188200000000, 0.0001555400000000 ] - [ -0.0104832500000000, -0.0057556100000000, -0.0114437200000000 ] - [ -0.0001306100000000, 0.0011213200000000, 0.0006963600000000 ] - [ -0.0007452600000000, -0.0002047800000000, 0.0000639600000000 ] - [ 0.0025405000000000, -0.0013661900000000, -0.0009965900000000 ] - [ 0.0000549700000000, -0.0005776600000000, -0.0001864300000000 ] - [ -0.0001100200000000, 0.0000186300000000, 0.0001340900000000 ] - [ -0.0003484900000000, 0.0011837100000000, -0.0008395300000000 ] - [ 0.0003663700000000, 0.0002970300000000, 0.0010816600000000 ] - [ -0.0001052200000000, 0.0005825200000000, -0.0002834400000000 ] - [ 0.0001190400000000, 0.0001252900000000, -0.0001763200000000 ] - [ 0.0006463600000000, 0.0004036600000000, -0.0055741700000000 ] - [ 0.0002048700000000, -0.0005633400000000, 0.0024760000000000 ] - [ -0.0002826300000000, -0.0002259300000000, 0.0003289000000000 ] - [ 0.0000497800000000, -0.0007475900000000, -0.0008136600000000 ] - [ 0.0012355800000000, 0.0007456500000000, -0.0003501100000000 ] - [ -0.0034261200000000, 0.0005146300000000, -0.0003332200000000 ] - [ 0.0000260400000000, 0.0006078400000000, 0.0001913000000000 ] - [ -0.0021430400000000, 0.0011650600000000, -0.0011246900000000 ] - [ -0.0016376000000000, -0.0007387600000000, 0.0025035200000000 ] - [ 0.0007501800000000, -0.0001892100000000, 0.0004844000000000 ] - [ 0.0001395500000000, -0.0011853200000000, 0.0032363400000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0003168800000000, -0.0001044200000000, -0.0002908600000000 ] - [ 0.0011281100000000, -0.0012013100000000, -0.0005226700000000 ] - [ -0.0009219300000000, -0.0008892800000000, 0.0005163700000000 ] - [ 0.0102822500000000, -0.0012441300000000, -0.0002319300000000 ] - [ 0.0017626200000000, -0.0001710900000000, 0.0011369300000000 ] - [ -0.0014080900000000, 0.0006850200000000, 0.0012632900000000 ] - [ 0.0032106600000000, 0.0064072200000000, 0.0031693600000000 ] - [ -0.0056737600000000, -0.0032495100000000, 0.0032433400000000 ] - [ -0.0001494300000000, 0.0006018500000000, -0.0008573800000000 ] - [ 0.0049515500000000, 0.0005852600000000, 0.0000346000000000 ] - [ -0.0010218300000000, -0.0070232200000000, -0.0025071000000000 ] - [ -0.0020055000000000, -0.0000343700000000, -0.0008454700000000 ] - [ 0.0049364400000000, -0.0025444800000000, 0.0000556200000000 ] - [ -0.0042808100000000, 0.0029200200000000, -0.0015646600000000 ] - [ -0.0023174800000000, 0.0010379000000000, 0.0003485700000000 ] - [ 0.0006089500000000, -0.0006914700000000, -0.0007378900000000 ] - [ 0.0848793300000000, -0.0715331300000000, -0.0444080500000000 ] - [ -0.0008665600000000, 0.0039305300000000, -0.0068359600000000 ] - [ 0.0055957100000000, -0.0006104400000000, 0.0012061200000000 ] - [ 0.0514828000000000, 0.0312213400000000, -0.0495716600000000 ] - [ -0.0008707700000000, -0.0004639600000000, -0.0001757600000000 ] - [ 0.0011880400000000, 0.0000741300000000, 0.0002767500000000 ] - [ -0.0000414500000000, -0.0004907800000000, -0.0008872700000000 ] - [ -0.0030816200000000, 0.0001776800000000, 0.0000735400000000 ] - [ 0.0612878000000000, 0.0420782700000000, 0.0263991600000000 ] - [ -0.0014731800000000, 0.0003418500000000, 0.0000843800000000 ] - [ -0.0028327700000000, -0.0013269400000000, 0.0050958900000000 ] - [ 0.0004881900000000, -0.0001715600000000, 0.0005065700000000 ] - [ 0.0003876700000000, -0.0013918300000000, 0.0001871800000000 ] - [ -0.0052679700000000, 0.0020681000000000, 0.0035795500000000 ] - [ 0.0016208400000000, -0.0006886300000000, -0.0004184400000000 ] - [ 0.0006983100000000, 0.0003778500000000, -0.0001914500000000 ] - [ -0.0045512700000000, -0.0003185800000000, 0.0006198900000000 ] - [ 0.0023145000000000, -0.0005977400000000, -0.0011625700000000 ] - [ -0.0009538200000000, 0.0036682200000000, 0.0028875700000000 ] - [ 0.0007520600000000, -0.0001326300000000, 0.0003034800000000 ] - [ 0.0010334600000000, 0.0008411200000000, -0.0002439500000000 ] - [ -0.0004847400000000, -0.0003792500000000, 0.0012914900000000 ] - [ 0.0047248700000000, -0.0007880000000000, -0.0027168900000000 ] - [ -0.0009452500000000, -0.0002807100000000, -0.0005576200000000 ] - [ -0.0028188900000000, 0.0001885900000000, 0.0001603500000000 ] - [ -0.0009787700000000, -0.0070524700000000, -0.0042465700000000 ] - [ 0.0011923900000000, -0.0002633600000000, 0.0011058000000000 ] - [ -0.0007849500000000, -0.0000190000000000, 0.0004394800000000 ] - [ 0.0003035000000000, -0.0002645200000000, -0.0001572600000000 ] - [ 0.0050075100000000, -0.0033686900000000, 0.0072905400000000 ] - [ 0.0005398400000000, 0.0009782700000000, -0.0016062100000000 ] - [ 0.0000620600000000, 0.0000802300000000, -0.0001760500000000 ] - [ -0.0029410100000000, 0.0044464500000000, 0.0016935900000000 ] - [ -0.0016449500000000, -0.0003229700000000, 0.0003825600000000 ] - [ -0.0011842200000000, -0.0040304700000000, 0.0045465700000000 ] - [ -0.0011951000000000, 0.0002011600000000, 0.0000034300000000 ] - [ -0.0032382600000000, 0.0001595100000000, -0.0002200200000000 ] - [ 0.0003029800000000, 0.0022992700000000, 0.0009498800000000 ] - [ -0.0004729200000000, 0.0002009900000000, 0.0004794300000000 ] - [ -0.0002642700000000, -0.0009031600000000, 0.0009946900000000 ] - [ -0.0008103700000000, 0.0030871500000000, -0.0047655500000000 ] - [ -0.0012063100000000, 0.0003136900000000, -0.0004292500000000 ] - [ -0.0002144300000000, -0.0003364300000000, -0.0002051700000000 ] - [ 0.0017246400000000, 0.0010875200000000, -0.0000625600000000 ] - [ -0.0013045200000000, -0.0005510600000000, 0.0000737200000000 ] - [ 0.0002187300000000, 0.0005439900000000, -0.0005799200000000 ] - [ 0.0013328200000000, 0.0003328400000000, -0.0002662800000000 ] - [ -0.0014561600000000, -0.0008076800000000, -0.0013643700000000 ] - [ -0.0002666900000000, 0.0001970800000000, -0.0000161900000000 ] - [ -0.0003247600000000, 0.0005370500000000, -0.0001915700000000 ] - [ -0.0009066700000000, -0.0006551800000000, -0.0001497900000000 ] - [ -0.0005297700000000, 0.0000978700000000, 0.0001823000000000 ] - [ 0.0005560100000000, 0.0001960400000000, -0.0003757500000000 ] - [ -0.0026003900000000, -0.0006537100000000, 0.0008496000000000 ] - [ -0.0042952200000000, -0.0016067200000000, -0.0027016700000000 ] - [ 0.0010485300000000, -0.0000961200000000, 0.0001088400000000 ] - [ -0.0006145200000000, -0.0000911500000000, 0.0000702100000000 ] - [ 0.0079882300000000, -0.0001958100000000, 0.0050787600000000 ] - [ -0.0000345800000000, -0.0000140300000000, 0.0002388000000000 ] - [ -0.0010031600000000, 0.0009138100000000, 0.0002391600000000 ] - [ -0.0008042200000000, -0.0006378200000000, 0.0002053800000000 ] - [ 0.0001469300000000, 0.0004161100000000, 0.0004065800000000 ] - [ -0.0028923400000000, 0.0004881400000000, -0.0002902300000000 ] - [ -0.0036412600000000, 0.0007126100000000, -0.0001466200000000 ] - [ 0.0003448800000000, -0.0004001600000000, 0.0002666200000000 ] - [ -0.0012865500000000, -0.0010898600000000, 0.0002968000000000 ] - [ -0.0011120800000000, 0.0012407100000000, 0.0009987000000000 ] - [ -0.0006326900000000, -0.0001915700000000, 0.0002654900000000 ] - [ -0.0003073200000000, 0.0004658400000000, -0.0007897600000000 ] - [ -0.0014153100000000, -0.0007411600000000, 0.0003097800000000 ] - [ -0.0007399600000000, -0.0001881400000000, -0.0006645400000000 ] - [ 0.1069536100000000, -0.0439505200000000, 0.0734157000000000 ] - [ 0.0009076000000000, 0.0002055200000000, 0.0003260200000000 ] - [ -0.0006399700000000, -0.0006093000000000, -0.0005650100000000 ] - [ -0.0020460400000000, 0.0005291900000000, 0.0002976100000000 ] - [ 0.0000470800000000, -0.0001274900000000, 0.0014167600000000 ] - [ -0.0008654100000000, -0.0002045200000000, 0.0012484200000000 ] - [ -0.0005367900000000, -0.0002018700000000, 0.0001647800000000 ] - [ -0.0016515000000000, 0.0013199400000000, -0.0008317700000000 ] - [ -0.0011516000000000, 0.0000382800000000, -0.0002032000000000 ] - [ -0.3739048600000000, 0.0433440200000000, -0.0023917600000000 ] - [ -0.0093142700000000, -0.0013432500000000, 0.0058258200000000 ] - [ -0.0012617300000000, 0.0013435400000000, -0.0076308000000000 ] - [ -0.0008992200000000, -0.0007986200000000, 0.0008453700000000 ] - [ 0.0002614100000000, 0.0004965400000000, -0.0010534700000000 ] - [ -0.0014884000000000, -0.0024538900000000, -0.0025205400000000 ] - [ -0.0032953000000000, 0.0031338400000000, 0.0021729100000000 ] - [ 0.0075979400000000, -0.0000524300000000, -0.0011652500000000 ] - [ 0.0041687400000000, 0.0017022100000000, -0.0021137500000000 ] - [ -0.0046307000000000, -0.0098342600000000, -0.0021834800000000 ] - [ -0.0053561300000000, 0.0045999300000000, 0.0026709200000000 ] - [ 0.0031758300000000, -0.0019303400000000, 0.0022467800000000 ] - [ 0.0054377000000000, -0.0010171800000000, -0.0024329300000000 ] - [ 0.0011556200000000, 0.0265631500000000, -0.0083286400000000 ] - [ -0.0014939400000000, -0.0000852100000000, -0.0002135000000000 ] - [ 0.0055662300000000, -0.0039387500000000, -0.0224692000000000 ] - [ 0.0017777200000000, 0.0003387000000000, 0.0006702900000000 ] - [ 0.0011738200000000, -0.0003901500000000, 0.0013548900000000 ] - [ 0.0013650100000000, 0.0003901000000000, 0.0003291400000000 ] - [ -0.0010105400000000, -0.0003635600000000, 0.0005142900000000 ] - [ 0.0003736700000000, 0.0000524700000000, -0.0014039900000000 ] - [ 0.0044428500000000, -0.0031359200000000, -0.0028715800000000 ] - [ 0.0031172200000000, 0.0024546000000000, 0.0008273900000000 ] - [ -0.0007352400000000, 0.0002946600000000, -0.0008307400000000 ] - [ -0.0020292900000000, 0.0026238100000000, -0.0021099800000000 ] - [ 0.0012451300000000, -0.0004259800000000, -0.0009073100000000 ] - [ 0.0014180900000000, 0.0007037500000000, 0.0011427300000000 ] - [ -0.0025597100000000, -0.0021751700000000, 0.0022607300000000 ] - [ -0.0015580300000000, -0.0001862300000000, -0.0000640400000000 ] - [ 0.0015790300000000, 0.0006140000000000, -0.0000566600000000 ] - [ 0.0058491400000000, -0.0024236000000000, 0.0009257200000000 ] - [ 0.0015387600000000, 0.0002584800000000, -0.0005231100000000 ] - [ 0.0032488400000000, 0.0001881400000000, 0.0014058000000000 ] - [ -0.0008268700000000, 0.0000299500000000, 0.0000735800000000 ] - [ 0.0005577900000000, -0.0111052000000000, 0.0025431300000000 ] - [ -0.0004378500000000, 0.0041540300000000, 0.0128707100000000 ] - [ 0.0023263200000000, -0.0006723700000000, -0.0014646000000000 ] - [ -0.0006589800000000, 0.0005076300000000, -0.0002782100000000 ] - [ -0.0009091600000000, 0.0077448300000000, -0.0005837700000000 ] - [ 0.0006933300000000, -0.0002527900000000, 0.0008912200000000 ] - [ -0.0016213100000000, -0.0007204900000000, -0.0011354600000000 ] - [ -0.0003026800000000, -0.0025882300000000, -0.0095598800000000 ] - [ 0.0001045900000000, 0.0003782500000000, 0.0000345700000000 ] - [ 0.0333236000000000, -0.0032827600000000, -0.0007023200000000 ] - [ 0.0000495300000000, 0.0006572000000000, 0.0002515800000000 ] - [ -0.0012329700000000, -0.0001123500000000, 0.0006449300000000 ] - [ 0.0030706000000000, 0.0011494100000000, -0.0005014800000000 ] - [ -0.0015009300000000, -0.0004830100000000, 0.0001530700000000 ] - [ -0.0006830400000000, -0.0002148500000000, 0.0000371600000000 ] - [ 0.0028283300000000, 0.0013964300000000, -0.0003160900000000 ] - [ 0.0009491000000000, -0.0003513900000000, -0.0000470900000000 ] - [ 0.0008748000000000, 0.0000934000000000, 0.0003351700000000 ] - [ -0.0008813400000000, -0.0012138800000000, -0.0014947500000000 ] - [ 0.0027926200000000, 0.0007949000000000, 0.0004186900000000 ] - [ 0.0009892200000000, 0.0002782800000000, 0.0000090600000000 ] - [ -0.0010749800000000, -0.0117975700000000, 0.0034596000000000 ] - [ 0.0014508300000000, -0.0007205500000000, -0.0002040900000000 ] - [ 0.0015285500000000, -0.0005002300000000, -0.0004511500000000 ] - [ -0.0015234900000000, 0.0010797300000000, 0.0110666200000000 ] - [ 0.0000645900000000, 0.0004285200000000, -0.0002019500000000 ] - [ 0.0301797200000000, 0.0047528400000000, 0.0009872600000000 ] - [ 0.0020654000000000, -0.0008042800000000, 0.0009889800000000 ] - [ -0.0003611400000000, 0.0009976700000000, -0.0008761300000000 ] - [ 0.0014779000000000, -0.0005622900000000, 0.0000765000000000 ]- atom: 97 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0002344300000000, -0.0003564200000000, -0.0004229400000000 ] - [ -0.0006674100000000, 0.0011311400000000, -0.0001910200000000 ] - [ 0.0004588700000000, 0.0009693700000000, -0.0012308000000000 ] - [ -0.0102014500000000, 0.0017076800000000, -0.0004845600000000 ] - [ -0.0016878300000000, 0.0006320800000000, -0.0004248700000000 ] - [ 0.0009440800000000, -0.0006164500000000, -0.0005533900000000 ] - [ -0.0027339000000000, -0.0064898700000000, -0.0024428600000000 ] - [ 0.0055825600000000, 0.0028029000000000, -0.0025206100000000 ] - [ 0.0005296800000000, -0.0003781700000000, 0.0006836400000000 ] - [ -0.0051603100000000, -0.0001950200000000, -0.0002112800000000 ] - [ 0.0012544000000000, 0.0065835700000000, 0.0023191900000000 ] - [ 0.0016215500000000, -0.0002006000000000, 0.0006694600000000 ] - [ -0.0053056100000000, 0.0023196500000000, 0.0001213100000000 ] - [ 0.0045041400000000, -0.0033307100000000, 0.0017418000000000 ] - [ 0.0020907500000000, -0.0006586300000000, -0.0001708600000000 ] - [ -0.0002179600000000, 0.0009184300000000, 0.0009099400000000 ] - [ -0.0860500000000000, 0.0749908500000000, 0.0464225900000000 ] - [ 0.0008157500000000, -0.0032312500000000, 0.0067522100000000 ] - [ -0.0055615500000000, -0.0001072600000000, -0.0013460400000000 ] - [ -0.0503572300000000, -0.0296684100000000, 0.0472227800000000 ] - [ 0.0001608000000000, 0.0004134700000000, 0.0000288800000000 ] - [ -0.0011410600000000, -0.0007853600000000, -0.0001300000000000 ] - [ -0.0000090800000000, 0.0011960000000000, 0.0010265500000000 ] - [ 0.0037877400000000, -0.0001367700000000, 0.0000762900000000 ] - [ -0.0632514000000000, -0.0444041300000000, -0.0275961300000000 ] - [ 0.0010223900000000, -0.0003085200000000, 0.0001124600000000 ] - [ 0.0032858500000000, 0.0012896300000000, -0.0049350700000000 ] - [ -0.0005259400000000, -0.0002818000000000, -0.0003092600000000 ] - [ -0.0004239300000000, 0.0009453300000000, -0.0003845200000000 ] - [ 0.0057360900000000, -0.0021106000000000, -0.0037506400000000 ] - [ -0.0020658200000000, 0.0007196200000000, 0.0002205800000000 ] - [ -0.0006655500000000, 0.0000737700000000, -0.0000061600000000 ] - [ 0.0039247100000000, -0.0002791100000000, 0.0001343600000000 ] - [ -0.0017065700000000, -0.0000419300000000, 0.0019077100000000 ] - [ 0.0003352500000000, -0.0030083200000000, -0.0021245400000000 ] - [ -0.0001090400000000, 0.0007350400000000, 0.0004481400000000 ] - [ -0.0003916300000000, -0.0002353300000000, -0.0005081300000000 ] - [ -0.0001246700000000, 0.0010204800000000, -0.0020442000000000 ] - [ -0.0041339400000000, 0.0001501700000000, 0.0019587500000000 ] - [ 0.0003042300000000, -0.0003237700000000, -0.0001944600000000 ] - [ 0.0030998200000000, 0.0001574200000000, 0.0000781200000000 ] - [ 0.0006196400000000, 0.0072815500000000, 0.0044662800000000 ] - [ -0.0008417600000000, -0.0000113700000000, -0.0008546700000000 ] - [ 0.0005057800000000, -0.0003286900000000, -0.0001911100000000 ] - [ -0.0005751300000000, -0.0000843100000000, -0.0000909100000000 ] - [ -0.0046749700000000, 0.0031088300000000, -0.0075486400000000 ] - [ -0.0008970000000000, -0.0007105800000000, 0.0013665700000000 ] - [ -0.0007784200000000, -0.0001268300000000, 0.0003243500000000 ] - [ 0.0028566400000000, -0.0048718400000000, -0.0024126500000000 ] - [ 0.0021052000000000, 0.0002551100000000, -0.0010962900000000 ] - [ 0.0007402900000000, 0.0041476600000000, -0.0053038800000000 ] - [ 0.0012723900000000, 0.0002587600000000, -0.0007171800000000 ] - [ 0.0033112500000000, 0.0003045800000000, 0.0009311700000000 ] - [ -0.0007595000000000, -0.0022202700000000, -0.0002324000000000 ] - [ 0.0009317200000000, -0.0002801000000000, 0.0002339400000000 ] - [ 0.0001942400000000, 0.0004467100000000, -0.0002893500000000 ] - [ 0.0012072500000000, -0.0028694700000000, 0.0046121500000000 ] - [ 0.0009764600000000, 0.0000724400000000, 0.0002517300000000 ] - [ 0.0004404500000000, -0.0000459700000000, 0.0000286900000000 ] - [ -0.0021123200000000, -0.0013218600000000, -0.0001127700000000 ] - [ 0.0009189600000000, 0.0003242800000000, 0.0001048300000000 ] - [ 0.0000135400000000, -0.0009324300000000, 0.0007639800000000 ] - [ -0.0015639000000000, 0.0000512200000000, 0.0004459300000000 ] - [ 0.0018360200000000, 0.0010440000000000, 0.0015447900000000 ] - [ 0.0009818300000000, -0.0001528100000000, -0.0001304100000000 ] - [ 0.0002816000000000, 0.0001760000000000, 0.0000434600000000 ] - [ 0.0009518900000000, -0.0000585000000000, 0.0000045300000000 ] - [ 0.0008035500000000, 0.0002507300000000, -0.0004311300000000 ] - [ -0.0012745300000000, -0.0002405700000000, 0.0002310900000000 ] - [ 0.0026455000000000, -0.0000575900000000, -0.0006991300000000 ] - [ 0.0042542100000000, 0.0023205400000000, 0.0028312900000000 ] - [ -0.0003349200000000, 0.0001398300000000, 0.0000387700000000 ] - [ 0.0006500800000000, 0.0005427900000000, 0.0001269700000000 ] - [ -0.0084707400000000, 0.0002302200000000, -0.0048932500000000 ] - [ 0.0004880300000000, -0.0000201100000000, -0.0000395800000000 ] - [ 0.0009686700000000, -0.0013571100000000, -0.0000408900000000 ] - [ 0.0007731900000000, 0.0001842300000000, -0.0004026400000000 ] - [ 0.0002987600000000, -0.0004436600000000, -0.0006022900000000 ] - [ 0.0024441700000000, -0.0004557700000000, 0.0000885000000000 ] - [ 0.0036696600000000, -0.0002511000000000, -0.0000565900000000 ] - [ -0.0009839200000000, -0.0002032400000000, 0.0004853000000000 ] - [ 0.0018908700000000, 0.0004507900000000, 0.0004495500000000 ] - [ 0.0005101100000000, -0.0005994300000000, -0.0002434700000000 ] - [ 0.0012668400000000, 0.0007958500000000, 0.0004877000000000 ] - [ 0.0009436000000000, 0.0001375000000000, 0.0000430800000000 ] - [ 0.0008151800000000, 0.0013773000000000, -0.0010550800000000 ] - [ 0.0013463000000000, -0.0004493400000000, -0.0000880800000000 ] - [ -0.1039852500000000, 0.0409114500000000, -0.0699931500000000 ] - [ -0.0006318500000000, 0.0001431300000000, -0.0000770500000000 ] - [ 0.0002931500000000, 0.0008825500000000, 0.0008088900000000 ] - [ 0.0023961000000000, -0.0008028900000000, -0.0000422500000000 ] - [ -0.0003185000000000, -0.0002212700000000, -0.0011621300000000 ] - [ 0.0005894600000000, -0.0001434900000000, -0.0015080400000000 ] - [ 0.0008874200000000, -0.0000738200000000, -0.0004104800000000 ] - [ 0.0013050800000000, -0.0010406600000000, 0.0005751000000000 ] - [ 0.0004409100000000, -0.0000804700000000, 0.0003513500000000 ] - [ 0.3746095700000000, -0.0422625700000000, 0.0010716300000000 ] - [ 0.0088250700000000, 0.0025214700000000, -0.0043027100000000 ] - [ 0.0018515400000000, -0.0025204000000000, 0.0091826800000000 ] - [ -0.0002691600000000, 0.0002384400000000, 0.0006790500000000 ] - [ -0.0014131800000000, -0.0010489900000000, -0.0004747200000000 ] - [ 0.0020401700000000, 0.0012873000000000, 0.0009870300000000 ] - [ 0.0027312000000000, -0.0019673800000000, -0.0036860700000000 ] - [ -0.0064419300000000, 0.0006067500000000, -0.0003521700000000 ] - [ -0.0041714500000000, -0.0017098200000000, 0.0021208000000000 ] - [ 0.0045871300000000, 0.0098172900000000, 0.0021645200000000 ] - [ 0.0053090200000000, -0.0045880900000000, -0.0026482700000000 ] - [ -0.0031807700000000, 0.0019410400000000, -0.0022575500000000 ] - [ -0.0054540900000000, 0.0010219000000000, 0.0024523900000000 ] - [ -0.0011708300000000, -0.0266167500000000, 0.0082793800000000 ] - [ 0.0015016700000000, 0.0000884400000000, 0.0002084800000000 ] - [ -0.0055881700000000, 0.0040051800000000, 0.0224316500000000 ] - [ -0.0006193800000000, 0.0002169500000000, 0.0008573100000000 ] - [ -0.0017295900000000, 0.0015481900000000, 0.0001765700000000 ] - [ -0.0008117100000000, -0.0015480100000000, 0.0011939100000000 ] - [ -0.0001387000000000, -0.0001923400000000, 0.0010119800000000 ] - [ -0.0015388700000000, -0.0006043900000000, -0.0001214000000000 ] - [ -0.0038827300000000, 0.0019657800000000, 0.0013350600000000 ] - [ -0.0036704400000000, -0.0012857300000000, -0.0023454300000000 ] - [ 0.0018960600000000, 0.0002633300000000, -0.0006942900000000 ] - [ 0.0020358700000000, -0.0026355300000000, 0.0021191700000000 ] - [ -0.0012417100000000, 0.0004299500000000, 0.0009093000000000 ] - [ -0.0014186300000000, -0.0007077300000000, -0.0011447300000000 ] - [ 0.0025649700000000, 0.0021822700000000, -0.0022677000000000 ] - [ 0.0015502400000000, 0.0001817900000000, 0.0000620800000000 ] - [ -0.0015860300000000, -0.0006106600000000, 0.0000587800000000 ] - [ -0.0058336000000000, 0.0024052900000000, -0.0009191300000000 ] - [ -0.0015331400000000, -0.0002605600000000, 0.0005250200000000 ] - [ -0.0032598200000000, -0.0001913200000000, -0.0014184500000000 ] - [ 0.0008304100000000, -0.0000309700000000, -0.0000721500000000 ] - [ -0.0005376000000000, 0.0111112400000000, -0.0025224800000000 ] - [ 0.0004267500000000, -0.0041681700000000, -0.0128523800000000 ] - [ -0.0023194000000000, 0.0006799600000000, 0.0005549800000000 ] - [ 0.0006556500000000, -0.0005078100000000, -0.0006362900000000 ] - [ 0.0008896600000000, -0.0077527500000000, 0.0014818100000000 ] - [ -0.0006925100000000, 0.0002563400000000, 0.0000223300000000 ] - [ 0.0016324200000000, -0.0003924100000000, 0.0007748500000000 ] - [ 0.0014250700000000, 0.0026137100000000, 0.0091850100000000 ] - [ -0.0012189200000000, -0.0003858500000000, -0.0003933300000000 ] - [ -0.0338139400000000, 0.0044500100000000, 0.0003487400000000 ] - [ -0.0000573000000000, 0.0004560500000000, 0.0001105800000000 ] - [ 0.0001238800000000, 0.0001043100000000, -0.0002824400000000 ] - [ -0.0019628700000000, -0.0011325400000000, 0.0008537900000000 ] - [ 0.0015096900000000, -0.0006305200000000, 0.0002082600000000 ] - [ 0.0006794700000000, 0.0002169000000000, -0.0000358500000000 ] - [ -0.0028197700000000, -0.0013845400000000, 0.0003138600000000 ] - [ -0.0009524500000000, 0.0003504400000000, 0.0000451300000000 ] - [ -0.0008714200000000, -0.0000916200000000, -0.0003358500000000 ] - [ 0.0008781700000000, 0.0012126800000000, 0.0005747800000000 ] - [ -0.0027844500000000, -0.0008046200000000, -0.0013395100000000 ] - [ -0.0009885900000000, -0.0002807900000000, 0.0009096100000000 ] - [ 0.0010684200000000, 0.0117995300000000, -0.0025187500000000 ] - [ -0.0014379000000000, -0.0003910600000000, -0.0001571300000000 ] - [ -0.0004161500000000, 0.0005083100000000, 0.0000863700000000 ] - [ 0.0004280800000000, -0.0011128900000000, -0.0114327400000000 ] - [ -0.0000777400000000, 0.0006852300000000, -0.0001599800000000 ] - [ -0.0297881400000000, -0.0035881800000000, -0.0005952700000000 ] - [ -0.0031884000000000, 0.0007886600000000, -0.0006199000000000 ] - [ 0.0014772000000000, -0.0009893200000000, 0.0012380000000000 ] - [ -0.0014703200000000, -0.0005511300000000, 0.0002848800000000 ]- atom: 97 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002906600000000, -0.0004552700000000, -0.0003288100000000 ] - [ -0.0000481900000000, -0.0021356300000000, -0.0000806000000000 ] - [ -0.0007461800000000, -0.0012710400000000, 0.0006582300000000 ] - [ 0.0040078100000000, -0.0067889200000000, -0.0019855000000000 ] - [ 0.0002787000000000, 0.0000149600000000, 0.0008161400000000 ] - [ 0.0004474500000000, 0.0002791300000000, -0.0000698900000000 ] - [ 0.0038709500000000, 0.0062380500000000, -0.0050676100000000 ] - [ -0.0067215200000000, -0.0020439400000000, 0.0035082200000000 ] - [ 0.0007259800000000, -0.0008932400000000, 0.0006527000000000 ] - [ -0.0018757300000000, -0.0035668600000000, -0.0009237800000000 ] - [ -0.0035665900000000, -0.0004862200000000, -0.0013087700000000 ] - [ 0.0002045300000000, 0.0001922400000000, 0.0005733500000000 ] - [ -0.0036425700000000, 0.0004953400000000, -0.0035090400000000 ] - [ 0.0043774700000000, -0.0026216800000000, 0.0021861900000000 ] - [ 0.0011072800000000, -0.0010389600000000, -0.0001620100000000 ] - [ -0.0007882900000000, -0.0016189600000000, -0.0009716300000000 ] - [ -0.0695197600000000, 0.1027472500000000, 0.0511542700000000 ] - [ 0.0014513600000000, 0.0065028100000000, 0.0005631000000000 ] - [ -0.0018099700000000, 0.0036293600000000, 0.0002252900000000 ] - [ 0.0274891500000000, 0.0461412900000000, -0.0361802300000000 ] - [ -0.0001045600000000, -0.0013780200000000, -0.0000213400000000 ] - [ -0.0002620500000000, -0.0023110200000000, -0.0000326700000000 ] - [ -0.0006175300000000, -0.0013142400000000, -0.0007151200000000 ] - [ -0.0006373800000000, 0.0011671000000000, -0.0002858100000000 ] - [ 0.0378429200000000, 0.0648428700000000, 0.0225963300000000 ] - [ -0.0001460100000000, -0.0006343900000000, 0.0001451900000000 ] - [ 0.0018847100000000, 0.0051541500000000, -0.0031212300000000 ] - [ 0.0002466600000000, 0.0006523800000000, 0.0000174300000000 ] - [ -0.0016735700000000, -0.0039941300000000, -0.0000509500000000 ] - [ -0.0053113700000000, 0.0046160100000000, 0.0008866000000000 ] - [ 0.0003751900000000, -0.0022124600000000, -0.0007192600000000 ] - [ -0.0000678500000000, -0.0009353000000000, -0.0000246200000000 ] - [ -0.0020313700000000, 0.0009816800000000, 0.0002380900000000 ] - [ 0.0006580900000000, -0.0014996000000000, -0.0013296400000000 ] - [ 0.0007583100000000, -0.0031256500000000, -0.0016109000000000 ] - [ -0.0000708900000000, 0.0011363800000000, 0.0003386100000000 ] - [ 0.0011636400000000, -0.0018731800000000, -0.0002162000000000 ] - [ -0.0018274200000000, 0.0009148100000000, 0.0020403700000000 ] - [ 0.0020249600000000, -0.0030796600000000, 0.0040586700000000 ] - [ -0.0002956900000000, -0.0007920000000000, -0.0002579600000000 ] - [ 0.0011787400000000, 0.0011146400000000, 0.0000787900000000 ] - [ -0.0017684300000000, -0.0053911800000000, -0.0033444600000000 ] - [ 0.0001781700000000, -0.0008010500000000, -0.0006272200000000 ] - [ -0.0001783500000000, -0.0014407600000000, 0.0002939400000000 ] - [ -0.0003123800000000, -0.0016799200000000, -0.0001749700000000 ] - [ -0.0033603400000000, -0.0037575900000000, 0.0105911400000000 ] - [ 0.0008133300000000, 0.0000622800000000, 0.0011477900000000 ] - [ 0.0003212600000000, -0.0029077200000000, -0.0002768900000000 ] - [ 0.0035900500000000, -0.0011228300000000, -0.0003763900000000 ] - [ 0.0002886000000000, 0.0015477000000000, 0.0005727100000000 ] - [ -0.0012177400000000, -0.0028075600000000, 0.0030925400000000 ] - [ 0.0002650300000000, 0.0002109700000000, -0.0004167700000000 ] - [ -0.0014293800000000, -0.0001305300000000, 0.0000671700000000 ] - [ 0.0006106400000000, -0.0017822100000000, -0.0012755600000000 ] - [ 0.0004854300000000, -0.0007266100000000, 0.0003839000000000 ] - [ -0.0007330300000000, -0.0007100300000000, 0.0011420300000000 ] - [ 0.0009266800000000, -0.0009156700000000, 0.0015368800000000 ] - [ -0.0004121400000000, 0.0005253900000000, -0.0003026100000000 ] - [ -0.0001667200000000, -0.0004125000000000, -0.0001038700000000 ] - [ 0.0002314800000000, -0.0011989400000000, 0.0011593400000000 ] - [ -0.0005532700000000, -0.0005039100000000, -0.0000548700000000 ] - [ 0.0004845900000000, -0.0005810900000000, 0.0006752900000000 ] - [ -0.0002225500000000, 0.0007743000000000, 0.0002621800000000 ] - [ -0.0010236000000000, 0.0004560800000000, -0.0009226300000000 ] - [ 0.0004301500000000, -0.0003556400000000, -0.0000733300000000 ] - [ -0.0000269500000000, -0.0004011900000000, 0.0000975900000000 ] - [ -0.0001277500000000, -0.0011547000000000, -0.0001028900000000 ] - [ 0.0000467900000000, -0.0003308200000000, 0.0000886600000000 ] - [ -0.0002326700000000, 0.0012445700000000, -0.0001510800000000 ] - [ -0.0009150900000000, 0.0001691200000000, 0.0005232400000000 ] - [ 0.0021181600000000, 0.0025670000000000, 0.0012088600000000 ] - [ 0.0004466500000000, -0.0008782700000000, 0.0001822400000000 ] - [ -0.0001452900000000, -0.0002698300000000, 0.0001870400000000 ] - [ 0.0033352900000000, 0.0022706200000000, 0.0042900200000000 ] - [ 0.0003174800000000, -0.0009171900000000, 0.0001582500000000 ] - [ 0.0001666400000000, -0.0016208900000000, -0.0001236900000000 ] - [ -0.0000837300000000, 0.0002465800000000, 0.0002266700000000 ] - [ 0.0006362000000000, -0.0013515800000000, -0.0003281400000000 ] - [ 0.0004877600000000, 0.0004267300000000, 0.0000604700000000 ] - [ 0.0013856500000000, 0.0011965400000000, -0.0001474600000000 ] - [ -0.0002324100000000, -0.0011444000000000, 0.0001726700000000 ] - [ 0.0004170700000000, 0.0002656700000000, -0.0001662000000000 ] - [ 0.0001142600000000, 0.0011336700000000, 0.0004680800000000 ] - [ -0.0001036200000000, -0.0010612900000000, 0.0003741000000000 ] - [ 0.0003895500000000, 0.0007300300000000, -0.0002410100000000 ] - [ -0.0010508400000000, -0.0005516000000000, 0.0001429700000000 ] - [ 0.0004431700000000, -0.0005094200000000, -0.0001041000000000 ] - [ -0.0409132600000000, 0.0441591300000000, -0.0360274500000000 ] - [ 0.0001522600000000, -0.0008258700000000, -0.0002457900000000 ] - [ -0.0003831300000000, 0.0006644300000000, 0.0004916200000000 ] - [ 0.0001592600000000, 0.0007657800000000, -0.0009845600000000 ] - [ 0.0001147300000000, 0.0011483200000000, -0.0000445000000000 ] - [ 0.0001454200000000, 0.0005283800000000, -0.0005723200000000 ] - [ 0.0000509500000000, -0.0004061400000000, 0.0001305800000000 ] - [ 0.0004091000000000, -0.0005587400000000, 0.0005929300000000 ] - [ -0.0004195300000000, 0.0005695000000000, 0.0004736200000000 ] - [ 0.0460110800000000, -0.2695363700000000, 0.0001816400000000 ] - [ -0.0061366100000000, -0.0010063000000000, -0.0057803300000000 ] - [ 0.0061119500000000, -0.0096081700000000, -0.0063709800000000 ] - [ -0.0010922100000000, 0.0019817400000000, 0.0011018600000000 ] - [ 0.0001837800000000, 0.0036604500000000, -0.0002417400000000 ] - [ 0.0010514800000000, 0.0028075500000000, 0.0006657000000000 ] - [ -0.0011560800000000, 0.0047477100000000, 0.0023540900000000 ] - [ 0.0002535700000000, -0.0022887200000000, -0.0009579600000000 ] - [ 0.0028939200000000, 0.0002636700000000, -0.0027756100000000 ] - [ -0.0092503100000000, 0.0062968000000000, 0.0086615500000000 ] - [ 0.0040684800000000, 0.0046090900000000, 0.0044825900000000 ] - [ -0.0019436300000000, 0.0011984200000000, -0.0020765000000000 ] - [ -0.0018504800000000, -0.0014201500000000, 0.0005227800000000 ] - [ 0.0144775400000000, 0.0298266800000000, -0.0047548700000000 ] - [ -0.0004201700000000, 0.0006526000000000, -0.0001768700000000 ] - [ 0.0034570400000000, -0.0127587100000000, -0.0137568900000000 ] - [ 0.0006418600000000, 0.0009636400000000, 0.0007314400000000 ] - [ -0.0006121800000000, 0.0016709400000000, 0.0000786600000000 ] - [ 0.0006143100000000, 0.0008668800000000, 0.0002990800000000 ] - [ -0.0006687700000000, -0.0015374900000000, 0.0009306100000000 ] - [ -0.0002509900000000, -0.0011786100000000, -0.0014724400000000 ] - [ 0.0011426500000000, -0.0035874400000000, -0.0010156400000000 ] - [ -0.0010572900000000, -0.0011886600000000, -0.0010611500000000 ] - [ 0.0005954400000000, 0.0018049900000000, -0.0007027700000000 ] - [ -0.0001761600000000, 0.0017847600000000, -0.0021040900000000 ] - [ -0.0006108000000000, 0.0004038100000000, 0.0003945300000000 ] - [ 0.0006489000000000, 0.0003044500000000, 0.0007050600000000 ] - [ 0.0001130800000000, 0.0001647700000000, -0.0018576200000000 ] - [ -0.0003982000000000, 0.0035795100000000, 0.0007303300000000 ] - [ 0.0004427100000000, 0.0000793400000000, -0.0004274800000000 ] - [ -0.0023344600000000, 0.0005656800000000, 0.0002596400000000 ] - [ -0.0001869700000000, 0.0019033600000000, -0.0004090600000000 ] - [ 0.0001034400000000, -0.0013926900000000, 0.0002027800000000 ] - [ 0.0001533700000000, -0.0001531700000000, 0.0001843500000000 ] - [ -0.0056191500000000, 0.0138068600000000, -0.0006448400000000 ] - [ 0.0012235500000000, -0.0051708200000000, -0.0042514600000000 ] - [ -0.0015570500000000, 0.0006575900000000, 0.0004213400000000 ] - [ 0.0006324000000000, 0.0004284700000000, 0.0005299800000000 ] - [ 0.0037943200000000, 0.0062541100000000, -0.0023039800000000 ] - [ -0.0003163300000000, 0.0001527200000000, 0.0001342900000000 ] - [ 0.0001022800000000, -0.0017728500000000, -0.0011515000000000 ] - [ -0.0013643500000000, 0.0012307600000000, 0.0100398200000000 ] - [ -0.0000935700000000, 0.0006650100000000, -0.0000293000000000 ] - [ -0.0045888300000000, -0.0151350800000000, -0.0060839600000000 ] - [ 0.0000541000000000, 0.0013472700000000, 0.0004803700000000 ] - [ -0.0012509800000000, 0.0028966200000000, -0.0006456000000000 ] - [ 0.0013808400000000, -0.0001326900000000, -0.0000885700000000 ] - [ -0.0002051300000000, 0.0040369100000000, -0.0003463500000000 ] - [ -0.0000757600000000, 0.0018111600000000, -0.0000638400000000 ] - [ 0.0011500000000000, 0.0003802200000000, 0.0000801000000000 ] - [ -0.0001532200000000, -0.0000683400000000, -0.0001852600000000 ] - [ 0.0002759200000000, 0.0011036700000000, 0.0000653400000000 ] - [ -0.0007732500000000, 0.0002256000000000, 0.0007275500000000 ] - [ 0.0021032600000000, 0.0003680400000000, 0.0004524000000000 ] - [ 0.0004561700000000, -0.0001643900000000, 0.0001637700000000 ] - [ -0.0052701200000000, 0.0055999700000000, -0.0041789100000000 ] - [ 0.0000909400000000, 0.0006824000000000, -0.0001369800000000 ] - [ 0.0003499900000000, 0.0004904400000000, 0.0001204900000000 ] - [ 0.0017418600000000, -0.0026238500000000, 0.0112665100000000 ] - [ -0.0000393100000000, 0.0013376100000000, -0.0002746300000000 ] - [ 0.0009917700000000, -0.0075413000000000, 0.0060511100000000 ] - [ -0.0014428600000000, -0.0002921700000000, -0.0004003400000000 ] - [ 0.0010876500000000, 0.0028164300000000, -0.0016015200000000 ] - [ -0.0000741000000000, -0.0010759000000000, -0.0000604300000000 ]- atom: 97 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003647100000000, -0.0000025800000000, -0.0003821200000000 ] - [ 0.0005020000000000, 0.0020633200000000, -0.0006249900000000 ] - [ 0.0002878100000000, 0.0013402900000000, -0.0013659800000000 ] - [ -0.0039351300000000, 0.0073225400000000, 0.0012916000000000 ] - [ -0.0002044700000000, 0.0004495800000000, -0.0001036700000000 ] - [ -0.0009105800000000, -0.0001961000000000, 0.0007872600000000 ] - [ -0.0034329900000000, -0.0063381700000000, 0.0058240200000000 ] - [ 0.0066392100000000, 0.0015669100000000, -0.0027734500000000 ] - [ -0.0003361800000000, 0.0011263800000000, -0.0008319900000000 ] - [ 0.0016357700000000, 0.0039302200000000, 0.0007355100000000 ] - [ 0.0037567700000000, 0.0001130600000000, 0.0011313700000000 ] - [ -0.0005897000000000, -0.0004160200000000, -0.0007526300000000 ] - [ 0.0032550300000000, -0.0007140300000000, 0.0036559100000000 ] - [ -0.0041504800000000, 0.0022520100000000, -0.0020159300000000 ] - [ -0.0013402200000000, 0.0014284400000000, 0.0003399100000000 ] - [ 0.0011653900000000, 0.0018459300000000, 0.0011412400000000 ] - [ 0.0665765100000000, -0.1000722400000000, -0.0488253200000000 ] - [ -0.0014904600000000, -0.0057669400000000, -0.0007182400000000 ] - [ 0.0018489900000000, -0.0043604400000000, -0.0003627600000000 ] - [ -0.0264320600000000, -0.0457927600000000, 0.0348781700000000 ] - [ -0.0006173900000000, 0.0013355100000000, -0.0001267300000000 ] - [ 0.0003135100000000, 0.0016025000000000, 0.0001727900000000 ] - [ 0.0005768900000000, 0.0020232900000000, 0.0008587100000000 ] - [ 0.0013510000000000, -0.0011167500000000, 0.0004338700000000 ] - [ -0.0404969000000000, -0.0663748000000000, -0.0237437000000000 ] - [ -0.0003071900000000, 0.0006684500000000, 0.0000527700000000 ] - [ -0.0014297800000000, -0.0052109000000000, 0.0033316000000000 ] - [ -0.0002799100000000, -0.0010990800000000, 0.0001821200000000 ] - [ 0.0016615300000000, 0.0035593100000000, -0.0001436600000000 ] - [ 0.0057844000000000, -0.0046698700000000, -0.0010968700000000 ] - [ -0.0008186200000000, 0.0022470600000000, 0.0005312900000000 ] - [ 0.0001033200000000, 0.0013877200000000, -0.0001716900000000 ] - [ 0.0013774100000000, -0.0015873000000000, 0.0005134800000000 ] - [ -0.0000443200000000, 0.0008561500000000, 0.0020811500000000 ] - [ -0.0013626800000000, 0.0037910100000000, 0.0023643900000000 ] - [ 0.0007095800000000, -0.0005303200000000, 0.0004125300000000 ] - [ -0.0005394600000000, 0.0024848800000000, -0.0005401200000000 ] - [ 0.0012353200000000, -0.0002832100000000, -0.0028119800000000 ] - [ -0.0014018200000000, 0.0024258300000000, -0.0047686500000000 ] - [ -0.0003451100000000, 0.0001878700000000, -0.0004945600000000 ] - [ -0.0009104600000000, -0.0007638400000000, 0.0001718600000000 ] - [ 0.0014336600000000, 0.0056058300000000, 0.0035705600000000 ] - [ 0.0001739400000000, 0.0005282000000000, 0.0008767800000000 ] - [ -0.0000929900000000, 0.0010954000000000, -0.0000483600000000 ] - [ 0.0000325900000000, 0.0013299300000000, -0.0000686100000000 ] - [ 0.0037771800000000, 0.0035137900000000, -0.0109303400000000 ] - [ -0.0011570800000000, 0.0002215500000000, -0.0013896500000000 ] - [ -0.0010255800000000, 0.0028608800000000, 0.0004258300000000 ] - [ -0.0037006300000000, 0.0006453300000000, -0.0003465900000000 ] - [ 0.0001684000000000, -0.0016297500000000, -0.0012829600000000 ] - [ 0.0007620300000000, 0.0029300300000000, -0.0038391400000000 ] - [ -0.0001890300000000, 0.0002512900000000, -0.0002957900000000 ] - [ 0.0014993200000000, 0.0005855300000000, 0.0006441900000000 ] - [ -0.0010796200000000, 0.0018675800000000, 0.0020007100000000 ] - [ -0.0000249500000000, 0.0006540400000000, 0.0003276500000000 ] - [ 0.0006542700000000, 0.0002548800000000, -0.0004317200000000 ] - [ -0.0005422500000000, 0.0011237700000000, -0.0017019000000000 ] - [ 0.0001822200000000, -0.0001436100000000, 0.0001238700000000 ] - [ 0.0003972400000000, 0.0000260400000000, -0.0000756500000000 ] - [ -0.0006239000000000, 0.0009686000000000, -0.0013483600000000 ] - [ 0.0001667400000000, 0.0002716600000000, 0.0002321600000000 ] - [ -0.0002583500000000, 0.0001934500000000, -0.0004964100000000 ] - [ -0.0000062700000000, -0.0003942900000000, -0.0000843200000000 ] - [ 0.0014016500000000, -0.0002335800000000, 0.0010933200000000 ] - [ 0.0002832900000000, 0.0003976600000000, -0.0000738800000000 ] - [ -0.0000196300000000, 0.0011143800000000, -0.0002476800000000 ] - [ 0.0001682900000000, 0.0004409900000000, -0.0000443400000000 ] - [ 0.0002267700000000, 0.0006789900000000, -0.0003369600000000 ] - [ -0.0004820800000000, -0.0012903900000000, 0.0000020800000000 ] - [ 0.0009611800000000, -0.0008847100000000, -0.0003797300000000 ] - [ -0.0021468600000000, -0.0018399200000000, -0.0010501700000000 ] - [ 0.0002690400000000, 0.0009217400000000, -0.0000362800000000 ] - [ 0.0001799400000000, 0.0007246600000000, 0.0000098400000000 ] - [ -0.0037969000000000, -0.0022321800000000, -0.0041074400000000 ] - [ 0.0001287200000000, 0.0008856200000000, 0.0000427700000000 ] - [ -0.0002086100000000, 0.0011662900000000, 0.0003223400000000 ] - [ 0.0000478500000000, -0.0006977100000000, -0.0004253200000000 ] - [ -0.0001828600000000, 0.0013211900000000, 0.0001302900000000 ] - [ -0.0009376700000000, -0.0003915300000000, -0.0002553800000000 ] - [ -0.0013484700000000, -0.0007537300000000, -0.0000512200000000 ] - [ -0.0004078200000000, 0.0005415500000000, 0.0005785000000000 ] - [ 0.0001840800000000, -0.0008984100000000, 0.0009168900000000 ] - [ -0.0007241300000000, -0.0005008100000000, 0.0002822000000000 ] - [ 0.0007473000000000, 0.0016622100000000, 0.0003809200000000 ] - [ 0.0002506900000000, -0.0001233000000000, -0.0005120600000000 ] - [ 0.0004423100000000, 0.0011952600000000, -0.0008916300000000 ] - [ 0.0001587300000000, -0.0001341600000000, -0.0006498600000000 ] - [ 0.0408266300000000, -0.0443422600000000, 0.0357172000000000 ] - [ 0.0001230300000000, 0.0011757000000000, 0.0004981400000000 ] - [ 0.0000328100000000, -0.0003848800000000, -0.0002414200000000 ] - [ 0.0001861100000000, -0.0010480400000000, 0.0012347900000000 ] - [ -0.0003960500000000, -0.0015022300000000, 0.0002984500000000 ] - [ -0.0004192400000000, -0.0008795500000000, 0.0003300200000000 ] - [ 0.0002960400000000, 0.0001338500000000, -0.0003762200000000 ] - [ -0.0007635400000000, 0.0008295800000000, -0.0008429900000000 ] - [ -0.0002975400000000, -0.0006124100000000, -0.0003244300000000 ] - [ -0.0395661200000000, 0.2690345200000000, 0.0009747500000000 ] - [ 0.0055610100000000, 0.0021063800000000, 0.0072758400000000 ] - [ -0.0055852900000000, 0.0085336800000000, 0.0079378100000000 ] - [ -0.0000501800000000, -0.0025401800000000, 0.0004199000000000 ] - [ -0.0013616300000000, -0.0042166200000000, -0.0012907000000000 ] - [ -0.0005061200000000, -0.0039769600000000, -0.0021941900000000 ] - [ 0.0005714300000000, -0.0035780600000000, -0.0038795300000000 ] - [ 0.0009105700000000, 0.0028431600000000, -0.0005703000000000 ] - [ -0.0028980900000000, -0.0002532900000000, 0.0027713200000000 ] - [ 0.0093664700000000, -0.0063351000000000, -0.0087340100000000 ] - [ -0.0040290600000000, -0.0045844500000000, -0.0044317700000000 ] - [ 0.0019403900000000, -0.0012051200000000, 0.0020768200000000 ] - [ 0.0018533200000000, 0.0014201600000000, -0.0005297000000000 ] - [ -0.0147684300000000, -0.0299603700000000, 0.0046538100000000 ] - [ 0.0004186700000000, -0.0006565400000000, 0.0001714800000000 ] - [ -0.0034497900000000, 0.0128247900000000, 0.0137887700000000 ] - [ 0.0005176400000000, -0.0004059100000000, 0.0007975000000000 ] - [ 0.0000575600000000, -0.0005071700000000, 0.0014508900000000 ] - [ -0.0000541300000000, -0.0020318100000000, 0.0012248000000000 ] - [ -0.0004934800000000, 0.0009788600000000, 0.0005944300000000 ] - [ -0.0009064700000000, 0.0006211800000000, -0.0000559000000000 ] - [ -0.0005849900000000, 0.0024433100000000, -0.0005056300000000 ] - [ 0.0004976000000000, 0.0023380400000000, -0.0004673300000000 ] - [ 0.0005616900000000, -0.0012488100000000, -0.0008266400000000 ] - [ 0.0001878200000000, -0.0018002200000000, 0.0021023600000000 ] - [ 0.0006121500000000, -0.0004112300000000, -0.0003962800000000 ] - [ -0.0006497300000000, -0.0002978000000000, -0.0006993800000000 ] - [ -0.0001037900000000, -0.0001525800000000, 0.0018612800000000 ] - [ 0.0003986600000000, -0.0035888000000000, -0.0007424300000000 ] - [ -0.0004429500000000, -0.0000828700000000, 0.0004268000000000 ] - [ 0.0023593800000000, -0.0005549700000000, -0.0002535400000000 ] - [ 0.0001861300000000, -0.0019028200000000, 0.0004123700000000 ] - [ -0.0001010400000000, 0.0013896700000000, -0.0001974400000000 ] - [ -0.0001545600000000, 0.0001561000000000, -0.0001808200000000 ] - [ 0.0055234500000000, -0.0137221400000000, 0.0006758000000000 ] - [ -0.0012293300000000, 0.0051521800000000, 0.0042080600000000 ] - [ 0.0015604100000000, -0.0006650300000000, -0.0013381900000000 ] - [ -0.0006299500000000, -0.0004291800000000, -0.0014380800000000 ] - [ -0.0037507300000000, -0.0062296700000000, 0.0031787900000000 ] - [ 0.0003147500000000, -0.0001555500000000, 0.0007825400000000 ] - [ -0.0000938700000000, 0.0006606500000000, 0.0007902800000000 ] - [ 0.0024518000000000, -0.0012332000000000, -0.0104147400000000 ] - [ -0.0010148500000000, -0.0006773500000000, -0.0003299300000000 ] - [ 0.0046425200000000, 0.0162213000000000, 0.0057181700000000 ] - [ -0.0000667200000000, -0.0002335900000000, -0.0001181800000000 ] - [ 0.0001265300000000, -0.0028956200000000, 0.0009980900000000 ] - [ -0.0002699900000000, 0.0001365400000000, 0.0004520500000000 ] - [ 0.0002088100000000, -0.0051583600000000, 0.0007103200000000 ] - [ 0.0000770300000000, -0.0018118100000000, 0.0000714100000000 ] - [ -0.0011369000000000, -0.0003837800000000, -0.0000827200000000 ] - [ 0.0001544600000000, 0.0000711300000000, 0.0001845500000000 ] - [ -0.0002767700000000, -0.0011019700000000, -0.0000661400000000 ] - [ 0.0007755600000000, -0.0002276000000000, -0.0016580800000000 ] - [ -0.0020979100000000, -0.0003578400000000, -0.0013676500000000 ] - [ -0.0004609300000000, 0.0001676100000000, 0.0007530100000000 ] - [ 0.0053389200000000, -0.0056205700000000, 0.0051567000000000 ] - [ -0.0000776400000000, -0.0017952400000000, -0.0002249600000000 ] - [ 0.0007690800000000, -0.0004776300000000, -0.0004844100000000 ] - [ -0.0028721500000000, 0.0026274400000000, -0.0116097100000000 ] - [ 0.0000307500000000, -0.0002241800000000, -0.0000878400000000 ] - [ -0.0010914200000000, 0.0086216500000000, -0.0056906900000000 ] - [ 0.0003269300000000, 0.0002884400000000, 0.0007573000000000 ] - [ 0.0000188200000000, -0.0028200800000000, 0.0019777200000000 ] - [ 0.0000848300000000, -0.0000375900000000, 0.0004219900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002131700000000, -0.0002857200000000, -0.0012770000000000 ] - [ 0.0002595400000000, 0.0015217500000000, -0.0006604200000000 ] - [ -0.0000566900000000, -0.0001936400000000, 0.0002107700000000 ] - [ 0.0028470800000000, -0.0010324400000000, 0.0038525100000000 ] - [ -0.0006771900000000, 0.0008444400000000, -0.0017215200000000 ] - [ 0.0003275000000000, -0.0006226400000000, -0.0004776000000000 ] - [ 0.0040162400000000, -0.0104551000000000, -0.0036393000000000 ] - [ -0.0030965400000000, -0.0014498800000000, 0.0041735500000000 ] - [ -0.0003186600000000, -0.0001000500000000, 0.0007640800000000 ] - [ -0.0019410100000000, -0.0012252400000000, 0.0021191500000000 ] - [ 0.0000079200000000, -0.0009747700000000, 0.0050200600000000 ] - [ -0.0000084500000000, 0.0005907000000000, 0.0008308700000000 ] - [ -0.0018984400000000, -0.0047981000000000, -0.0022697900000000 ] - [ 0.0036202500000000, -0.0019017900000000, 0.0029922200000000 ] - [ 0.0007215900000000, -0.0004019500000000, 0.0005589600000000 ] - [ -0.0010204600000000, -0.0010409400000000, 0.0002576300000000 ] - [ -0.0424950300000000, 0.0502163400000000, 0.0527855600000000 ] - [ -0.0048844400000000, 0.0015128600000000, -0.0005541100000000 ] - [ 0.0018429100000000, 0.0002980600000000, -0.0049007800000000 ] - [ -0.0428772600000000, -0.0363364800000000, 0.0820393400000000 ] - [ -0.0002918300000000, -0.0001630000000000, 0.0004267500000000 ] - [ -0.0000468300000000, -0.0005975800000000, 0.0000640000000000 ] - [ -0.0005451500000000, -0.0005116500000000, -0.0003997200000000 ] - [ 0.0013510000000000, 0.0000179000000000, 0.0014537600000000 ] - [ 0.0230504000000000, 0.0203144500000000, 0.0379529900000000 ] - [ -0.0003792300000000, 0.0000691700000000, 0.0001192700000000 ] - [ 0.0036994500000000, 0.0003817700000000, -0.0017318000000000 ] - [ 0.0001922600000000, -0.0005183700000000, -0.0018422700000000 ] - [ 0.0006715300000000, 0.0005458400000000, 0.0013022100000000 ] - [ 0.0088927800000000, -0.0039204700000000, -0.0009358400000000 ] - [ -0.0001148600000000, -0.0001961300000000, 0.0002842500000000 ] - [ 0.0000722200000000, 0.0005943000000000, -0.0010330200000000 ] - [ -0.0015926800000000, -0.0001255800000000, 0.0015845900000000 ] - [ -0.0003631500000000, -0.0017587900000000, -0.0007511300000000 ] - [ 0.0004714200000000, -0.0015786000000000, -0.0011987200000000 ] - [ -0.0003930400000000, 0.0004634300000000, -0.0024626600000000 ] - [ 0.0002393300000000, 0.0005546800000000, 0.0005111800000000 ] - [ 0.0007325500000000, 0.0017814200000000, -0.0023658200000000 ] - [ -0.0033236700000000, 0.0042263600000000, 0.0015070900000000 ] - [ -0.0003953500000000, -0.0003323700000000, -0.0007139300000000 ] - [ 0.0011874400000000, 0.0003505000000000, 0.0010873800000000 ] - [ -0.0006117800000000, -0.0028415700000000, -0.0015493500000000 ] - [ 0.0002108000000000, -0.0003722800000000, -0.0015628800000000 ] - [ -0.0000645000000000, -0.0004771000000000, 0.0005440400000000 ] - [ 0.0002172000000000, -0.0001317900000000, 0.0012104500000000 ] - [ 0.0050785200000000, 0.0067840400000000, 0.0038642700000000 ] - [ -0.0009854100000000, 0.0015980900000000, -0.0024315300000000 ] - [ -0.0005968300000000, 0.0000491800000000, 0.0010323400000000 ] - [ -0.0007893100000000, 0.0026196600000000, 0.0051871600000000 ] - [ 0.0004091500000000, 0.0009741400000000, 0.0001616800000000 ] - [ 0.0016570700000000, 0.0048765400000000, -0.0064739500000000 ] - [ 0.0002687000000000, 0.0002443400000000, -0.0010579900000000 ] - [ -0.0008181800000000, 0.0002991000000000, 0.0008044900000000 ] - [ 0.0005784600000000, -0.0022527900000000, 0.0009115000000000 ] - [ 0.0003657800000000, -0.0003088700000000, 0.0000224600000000 ] - [ 0.0008653000000000, 0.0004102200000000, -0.0013440800000000 ] - [ -0.0009679200000000, 0.0018022000000000, -0.0035191900000000 ] - [ -0.0001670700000000, 0.0001472800000000, -0.0008527900000000 ] - [ 0.0001346800000000, -0.0003589300000000, -0.0009099100000000 ] - [ -0.0002087300000000, 0.0008939700000000, -0.0012424600000000 ] - [ -0.0003385000000000, -0.0004740800000000, -0.0000347300000000 ] - [ -0.0002406500000000, 0.0002048300000000, -0.0013814100000000 ] - [ 0.0001210000000000, 0.0003110000000000, -0.0021849700000000 ] - [ -0.0007834400000000, -0.0006797100000000, -0.0005830000000000 ] - [ 0.0004468100000000, -0.0001438400000000, -0.0005195700000000 ] - [ -0.0002010900000000, 0.0004319200000000, -0.0003402400000000 ] - [ 0.0003057800000000, -0.0001534500000000, 0.0001935100000000 ] - [ 0.0002864500000000, 0.0001496500000000, -0.0006172200000000 ] - [ -0.0011878100000000, -0.0000432100000000, -0.0021927900000000 ] - [ 0.0016835200000000, -0.0001461100000000, -0.0008742200000000 ] - [ -0.0031869800000000, -0.0013430400000000, -0.0016125900000000 ] - [ 0.0002656300000000, 0.0003003000000000, -0.0008174600000000 ] - [ 0.0000558500000000, 0.0001578900000000, -0.0004099200000000 ] - [ -0.0041474500000000, 0.0014801100000000, -0.0073293900000000 ] - [ 0.0006543800000000, -0.0000633500000000, -0.0000733400000000 ] - [ -0.0003313600000000, 0.0000430300000000, 0.0007770100000000 ] - [ 0.0003624300000000, -0.0000090900000000, -0.0012851900000000 ] - [ 0.0006310400000000, -0.0004845100000000, -0.0005259200000000 ] - [ -0.0010377000000000, 0.0002629300000000, -0.0008308500000000 ] - [ -0.0017543100000000, 0.0007590800000000, 0.0008001900000000 ] - [ -0.0002479400000000, -0.0002983400000000, -0.0005134200000000 ] - [ 0.0001190600000000, -0.0009297100000000, 0.0005756600000000 ] - [ 0.0007689800000000, -0.0007516700000000, -0.0003603900000000 ] - [ 0.0003362200000000, -0.0000581100000000, 0.0009869200000000 ] - [ 0.0003090200000000, 0.0003760000000000, -0.0016122800000000 ] - [ 0.0006356500000000, 0.0010671200000000, 0.0000092300000000 ] - [ 0.0000306000000000, -0.0001901800000000, -0.0008190100000000 ] - [ 0.0706381200000000, -0.0369987400000000, 0.0818648500000000 ] - [ 0.0000278000000000, 0.0000870600000000, -0.0008500100000000 ] - [ -0.0003502600000000, -0.0005575600000000, -0.0013302400000000 ] - [ 0.0003140700000000, -0.0011360300000000, 0.0017220700000000 ] - [ 0.0016017500000000, 0.0001783000000000, -0.0033332900000000 ] - [ -0.0001352300000000, -0.0001776400000000, -0.0021008100000000 ] - [ 0.0004595600000000, -0.0000784400000000, -0.0005411800000000 ] - [ -0.0009043600000000, 0.0006542600000000, 0.0001419900000000 ] - [ -0.0002393700000000, -0.0002725500000000, -0.0013552200000000 ] - [ -0.0036619400000000, -0.0009607100000000, -0.2688268600000000 ] - [ 0.0068582500000000, -0.0077906700000000, 0.0073707300000000 ] - [ -0.0063012900000000, -0.0056656600000000, 0.0074149800000000 ] - [ -0.0006616200000000, -0.0006184000000000, -0.0007388100000000 ] - [ -0.0008710000000000, 0.0002472800000000, -0.0017831400000000 ] - [ 0.0005718000000000, 0.0010076400000000, 0.0004952600000000 ] - [ -0.0005386200000000, 0.0026818200000000, -0.0004121500000000 ] - [ 0.0009853700000000, 0.0004710700000000, -0.0032399200000000 ] - [ 0.0006692900000000, -0.0002421700000000, -0.0018692200000000 ] - [ -0.0061938400000000, 0.0079198500000000, -0.0083986700000000 ] - [ 0.0042219800000000, 0.0044892500000000, -0.0029150100000000 ] - [ -0.0009213000000000, 0.0005512600000000, -0.0028357000000000 ] - [ -0.0025758900000000, -0.0000721900000000, 0.0012744700000000 ] - [ -0.0022890900000000, 0.0099175100000000, -0.0145537800000000 ] - [ 0.0004988900000000, -0.0004631100000000, 0.0032955100000000 ] - [ -0.0159616100000000, 0.0030917700000000, 0.0311925100000000 ] - [ 0.0004863400000000, 0.0002446800000000, 0.0014270200000000 ] - [ 0.0001844600000000, 0.0001491700000000, 0.0010500300000000 ] - [ -0.0004103500000000, -0.0011712600000000, 0.0010554800000000 ] - [ -0.0003394500000000, -0.0004454600000000, 0.0033910800000000 ] - [ -0.0012132100000000, -0.0009843000000000, 0.0032058200000000 ] - [ -0.0028374700000000, 0.0023538200000000, -0.0004179000000000 ] - [ 0.0011540000000000, 0.0023346600000000, 0.0004961000000000 ] - [ 0.0006489800000000, 0.0002152400000000, 0.0006997400000000 ] - [ 0.0008720500000000, -0.0034044400000000, 0.0038541900000000 ] - [ -0.0003023600000000, 0.0005262100000000, 0.0014129500000000 ] - [ 0.0004344200000000, 0.0006938400000000, 0.0012644200000000 ] - [ -0.0007899600000000, -0.0014144400000000, 0.0036996000000000 ] - [ -0.0003504300000000, 0.0000038700000000, 0.0000015800000000 ] - [ -0.0007468500000000, 0.0000224500000000, 0.0017511800000000 ] - [ 0.0015313700000000, -0.0008068000000000, -0.0017727000000000 ] - [ -0.0003076200000000, 0.0003599800000000, 0.0001910200000000 ] - [ 0.0015007000000000, -0.0000879400000000, 0.0000618200000000 ] - [ 0.0001330700000000, -0.0000574000000000, 0.0020393600000000 ] - [ -0.0002146600000000, 0.0064220000000000, -0.0049316100000000 ] - [ 0.0065138100000000, 0.0020181500000000, 0.0136308900000000 ] - [ -0.0009239200000000, 0.0005327200000000, -0.0003937800000000 ] - [ 0.0006477800000000, 0.0009398400000000, 0.0021559500000000 ] - [ -0.0023770800000000, -0.0100003600000000, -0.0017912500000000 ] - [ 0.0003584100000000, -0.0002905600000000, 0.0008757400000000 ] - [ 0.0002909800000000, 0.0001084000000000, 0.0049207100000000 ] - [ -0.0031227800000000, 0.0040117700000000, 0.0061991200000000 ] - [ -0.0002676300000000, 0.0002287200000000, 0.0000065000000000 ] - [ -0.0021807600000000, -0.0056158000000000, -0.0092798000000000 ] - [ 0.0000914000000000, 0.0006332200000000, 0.0009831600000000 ] - [ 0.0002845500000000, -0.0010077500000000, 0.0001710000000000 ] - [ -0.0013620100000000, -0.0009942600000000, 0.0002919800000000 ] - [ 0.0000267100000000, 0.0000511200000000, -0.0009507000000000 ] - [ 0.0001924300000000, -0.0001958700000000, 0.0002478800000000 ] - [ -0.0002673900000000, -0.0000243300000000, -0.0010276900000000 ] - [ 0.0000606000000000, 0.0001605800000000, 0.0011203000000000 ] - [ 0.0002116800000000, 0.0002279700000000, -0.0001139700000000 ] - [ -0.0006467000000000, 0.0019317100000000, 0.0028670600000000 ] - [ 0.0008520100000000, 0.0003552600000000, -0.0009440400000000 ] - [ -0.0004673400000000, -0.0002558100000000, 0.0012110800000000 ] - [ 0.0024916000000000, -0.0102850000000000, 0.0015694100000000 ] - [ 0.0000238300000000, -0.0003278100000000, -0.0006377200000000 ] - [ 0.0001996400000000, 0.0004103600000000, -0.0004369200000000 ] - [ 0.0049571200000000, 0.0043274200000000, 0.0065538000000000 ] - [ -0.0000277800000000, 0.0002626900000000, 0.0005645600000000 ] - [ 0.0035124000000000, 0.0067271100000000, -0.0134735500000000 ] - [ 0.0009770700000000, -0.0005837200000000, 0.0010098400000000 ] - [ 0.0000196000000000, -0.0014608100000000, 0.0009116400000000 ] - [ -0.0001441000000000, -0.0005955900000000, 0.0014096600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001421200000000, -0.0001784700000000, 0.0005652800000000 ] - [ 0.0001960500000000, -0.0015914100000000, -0.0000545500000000 ] - [ -0.0004016000000000, 0.0002666800000000, -0.0009149100000000 ] - [ -0.0027603200000000, 0.0014719600000000, -0.0045711300000000 ] - [ 0.0007399700000000, -0.0003893400000000, 0.0024275500000000 ] - [ -0.0007841900000000, 0.0006977900000000, 0.0011963000000000 ] - [ -0.0036126600000000, 0.0104518200000000, 0.0043994400000000 ] - [ 0.0030033400000000, 0.0009770500000000, -0.0034359000000000 ] - [ 0.0007050100000000, 0.0003300100000000, -0.0009457600000000 ] - [ 0.0017159200000000, 0.0016179400000000, -0.0022837000000000 ] - [ 0.0002189300000000, 0.0006052900000000, -0.0051744300000000 ] - [ -0.0003721900000000, -0.0008225900000000, -0.0010144600000000 ] - [ 0.0014941000000000, 0.0045248300000000, 0.0024368400000000 ] - [ -0.0034082600000000, 0.0015275700000000, -0.0028259900000000 ] - [ -0.0009532000000000, 0.0007908300000000, -0.0003811100000000 ] - [ 0.0013937200000000, 0.0012595600000000, -0.0000709700000000 ] - [ 0.0422146300000000, -0.0490907400000000, -0.0530972800000000 ] - [ 0.0048893800000000, -0.0007968500000000, 0.0004014900000000 ] - [ -0.0017756400000000, -0.0010055100000000, 0.0047069300000000 ] - [ 0.0462399700000000, 0.0390699100000000, -0.0854957500000000 ] - [ -0.0004239800000000, 0.0001222900000000, -0.0005716900000000 ] - [ 0.0000896100000000, -0.0001152300000000, 0.0000870900000000 ] - [ 0.0005042100000000, 0.0012257300000000, 0.0005415500000000 ] - [ -0.0006282900000000, 0.0000274300000000, -0.0013048100000000 ] - [ -0.0234658500000000, -0.0202682100000000, -0.0375615400000000 ] - [ -0.0000680900000000, -0.0000366800000000, 0.0000822900000000 ] - [ -0.0032187000000000, -0.0004270600000000, 0.0019497800000000 ] - [ -0.0002199900000000, 0.0000613200000000, 0.0020350900000000 ] - [ -0.0006969700000000, -0.0009838400000000, -0.0014884400000000 ] - [ -0.0084291900000000, 0.0038612000000000, 0.0007232400000000 ] - [ -0.0003348400000000, 0.0002307600000000, -0.0004860200000000 ] - [ -0.0000403100000000, -0.0001488400000000, 0.0008331300000000 ] - [ 0.0009490000000000, -0.0004791600000000, -0.0008356100000000 ] - [ 0.0009758600000000, 0.0011300400000000, 0.0014994900000000 ] - [ -0.0010761100000000, 0.0022250500000000, 0.0019697900000000 ] - [ 0.0010215400000000, 0.0001372800000000, 0.0032062800000000 ] - [ 0.0004016800000000, 0.0000475000000000, -0.0012596200000000 ] - [ -0.0013232100000000, -0.0011305100000000, 0.0016040500000000 ] - [ 0.0039282400000000, -0.0048904900000000, -0.0022697800000000 ] - [ -0.0002426200000000, -0.0002726900000000, -0.0000385200000000 ] - [ -0.0009095100000000, -0.0000021800000000, -0.0008269900000000 ] - [ 0.0002574700000000, 0.0030713900000000, 0.0017602100000000 ] - [ 0.0001420200000000, 0.0000896500000000, 0.0018164200000000 ] - [ -0.0002096600000000, 0.0001302900000000, -0.0002901800000000 ] - [ -0.0004909900000000, -0.0002132000000000, -0.0014595200000000 ] - [ -0.0046883800000000, -0.0069739000000000, -0.0040827700000000 ] - [ 0.0006413000000000, -0.0013322900000000, 0.0021840400000000 ] - [ -0.0001169800000000, -0.0000912200000000, -0.0008825600000000 ] - [ 0.0007103000000000, -0.0030861500000000, -0.0059188400000000 ] - [ 0.0000544200000000, -0.0010471700000000, -0.0008669100000000 ] - [ -0.0021147500000000, -0.0047536700000000, 0.0056920500000000 ] - [ -0.0001882400000000, 0.0002156800000000, 0.0003437200000000 ] - [ 0.0008918900000000, 0.0001585500000000, -0.0000893400000000 ] - [ -0.0010416700000000, 0.0023431300000000, -0.0002056200000000 ] - [ 0.0000970500000000, 0.0002307000000000, 0.0006943600000000 ] - [ -0.0009390300000000, -0.0008644700000000, 0.0020456800000000 ] - [ 0.0013437600000000, -0.0015691200000000, 0.0033640200000000 ] - [ -0.0000594800000000, 0.0002370300000000, 0.0006750800000000 ] - [ 0.0000972600000000, -0.0000235000000000, 0.0007315000000000 ] - [ -0.0001820800000000, -0.0011183800000000, 0.0010671700000000 ] - [ -0.0000433000000000, 0.0002477300000000, 0.0002081100000000 ] - [ 0.0004639100000000, -0.0005867000000000, 0.0015589700000000 ] - [ -0.0003564500000000, 0.0000814600000000, 0.0023627300000000 ] - [ 0.0011728200000000, 0.0009129500000000, 0.0007552800000000 ] - [ 0.0002670100000000, 0.0001879800000000, 0.0003727500000000 ] - [ 0.0001553000000000, 0.0002807300000000, 0.0001960700000000 ] - [ -0.0002604500000000, -0.0005583600000000, -0.0003412400000000 ] - [ -0.0000097600000000, 0.0001991200000000, 0.0003672900000000 ] - [ 0.0004834700000000, 0.0000011400000000, 0.0020468200000000 ] - [ -0.0016317300000000, -0.0005663900000000, 0.0010140900000000 ] - [ 0.0031431700000000, 0.0020620700000000, 0.0017740700000000 ] - [ 0.0004478100000000, -0.0002532200000000, 0.0009634200000000 ] - [ -0.0000214400000000, 0.0002931300000000, 0.0006068700000000 ] - [ 0.0036826300000000, -0.0014645300000000, 0.0075582500000000 ] - [ -0.0002063300000000, 0.0000334200000000, 0.0002700000000000 ] - [ 0.0002965200000000, -0.0004975100000000, -0.0005784900000000 ] - [ -0.0003978600000000, -0.0004459800000000, 0.0010842400000000 ] - [ -0.0001796700000000, 0.0004538400000000, 0.0003303900000000 ] - [ 0.0005900900000000, -0.0002304100000000, 0.0006374500000000 ] - [ 0.0017977000000000, -0.0003129800000000, -0.0009940000000000 ] - [ -0.0003929300000000, -0.0003063500000000, 0.0012651300000000 ] - [ 0.0004855000000000, 0.0002892500000000, 0.0001832000000000 ] - [ -0.0013817300000000, 0.0013857600000000, 0.0011060000000000 ] - [ 0.0003049800000000, 0.0006609200000000, -0.0002326000000000 ] - [ 0.0003378900000000, 0.0002268700000000, 0.0008603500000000 ] - [ -0.0012354600000000, -0.0004232000000000, -0.0007641800000000 ] - [ 0.0005748300000000, -0.0004476600000000, 0.0000714000000000 ] - [ -0.0681249900000000, 0.0348769100000000, -0.0811423100000000 ] - [ 0.0002463500000000, 0.0002656400000000, 0.0010972100000000 ] - [ -0.0000008000000000, 0.0008328400000000, 0.0015822700000000 ] - [ 0.0000396800000000, 0.0008549900000000, -0.0014741800000000 ] - [ -0.0018935000000000, -0.0005348600000000, 0.0035884900000000 ] - [ -0.0001320200000000, -0.0001722300000000, 0.0018560000000000 ] - [ -0.0001080300000000, -0.0001986900000000, 0.0002869800000000 ] - [ 0.0005571100000000, -0.0003821800000000, -0.0003870100000000 ] - [ -0.0004804100000000, 0.0002313800000000, 0.0015046000000000 ] - [ -0.0002453800000000, -0.0002522300000000, 0.2720446700000000 ] - [ -0.0074529000000000, 0.0090242600000000, -0.0058853100000000 ] - [ 0.0067571000000000, 0.0044646000000000, -0.0058402800000000 ] - [ -0.0004974500000000, 0.0000622600000000, 0.0022655100000000 ] - [ -0.0002932300000000, -0.0008038000000000, 0.0002496300000000 ] - [ -0.0000218200000000, -0.0021658900000000, -0.0020288600000000 ] - [ -0.0000307400000000, -0.0015241300000000, -0.0010898200000000 ] - [ 0.0001707300000000, 0.0000846900000000, 0.0017067700000000 ] - [ -0.0006708200000000, 0.0002451900000000, 0.0018565400000000 ] - [ 0.0062041800000000, -0.0079576600000000, 0.0084892400000000 ] - [ -0.0041982500000000, -0.0044667800000000, 0.0028615600000000 ] - [ 0.0009225800000000, -0.0005540400000000, 0.0028478100000000 ] - [ 0.0025553000000000, 0.0000757000000000, -0.0012798000000000 ] - [ 0.0022942700000000, -0.0098478200000000, 0.0144429200000000 ] - [ -0.0004952600000000, 0.0004751400000000, -0.0032936900000000 ] - [ 0.0161820000000000, -0.0029251100000000, -0.0313066800000000 ] - [ 0.0006724700000000, 0.0003121700000000, 0.0001022400000000 ] - [ -0.0007425400000000, 0.0010120000000000, 0.0004729000000000 ] - [ 0.0009643300000000, 0.0000055000000000, 0.0004790500000000 ] - [ -0.0008378100000000, -0.0001081500000000, -0.0018648400000000 ] - [ 0.0000688300000000, 0.0004305600000000, -0.0047270400000000 ] - [ 0.0033980100000000, -0.0035054700000000, -0.0010946200000000 ] - [ -0.0017081000000000, -0.0011730700000000, -0.0020275100000000 ] - [ 0.0005145700000000, 0.0003400100000000, -0.0022237800000000 ] - [ -0.0008494600000000, 0.0033920900000000, -0.0038331800000000 ] - [ 0.0002991800000000, -0.0005259600000000, -0.0014150200000000 ] - [ -0.0004404900000000, -0.0006963300000000, -0.0012581000000000 ] - [ 0.0008025900000000, 0.0014094100000000, -0.0037013900000000 ] - [ 0.0003495500000000, -0.0000145600000000, 0.0000015600000000 ] - [ 0.0007423300000000, -0.0000185500000000, -0.0017463400000000 ] - [ -0.0015335400000000, 0.0008157000000000, 0.0017725500000000 ] - [ 0.0003046000000000, -0.0003591100000000, -0.0001931700000000 ] - [ -0.0015181400000000, 0.0000832800000000, -0.0000557700000000 ] - [ -0.0001348100000000, 0.0000491200000000, -0.0020340800000000 ] - [ 0.0002175400000000, -0.0064491300000000, 0.0049403100000000 ] - [ -0.0063977400000000, -0.0020202600000000, -0.0135342000000000 ] - [ 0.0009259000000000, -0.0005359800000000, -0.0005297500000000 ] - [ -0.0006393100000000, -0.0009285900000000, -0.0030590700000000 ] - [ 0.0023887700000000, 0.0099771100000000, 0.0027110000000000 ] - [ -0.0003624300000000, 0.0002935900000000, 0.0000448400000000 ] - [ -0.0002736900000000, -0.0012192700000000, -0.0052748800000000 ] - [ 0.0041818800000000, -0.0039455800000000, -0.0065354000000000 ] - [ -0.0008434600000000, -0.0002402600000000, -0.0003683900000000 ] - [ 0.0022770300000000, 0.0067064000000000, 0.0089094000000000 ] - [ -0.0001037200000000, 0.0004790600000000, -0.0006190800000000 ] - [ -0.0013997100000000, 0.0010042900000000, 0.0001930800000000 ] - [ 0.0024676100000000, 0.0010035200000000, 0.0000769700000000 ] - [ -0.0000136800000000, -0.0011641000000000, 0.0013107800000000 ] - [ -0.0001904800000000, 0.0001955700000000, -0.0002502200000000 ] - [ 0.0002642200000000, 0.0000203000000000, 0.0010254800000000 ] - [ -0.0000587900000000, -0.0001614800000000, -0.0011193000000000 ] - [ -0.0002120900000000, -0.0002280800000000, 0.0001170700000000 ] - [ 0.0006556300000000, -0.0019482500000000, -0.0037974900000000 ] - [ -0.0008481000000000, -0.0003517700000000, 0.0000342600000000 ] - [ 0.0004595700000000, 0.0002536800000000, -0.0002945000000000 ] - [ -0.0024608800000000, 0.0102875900000000, -0.0006732200000000 ] - [ -0.0000140200000000, -0.0007860100000000, 0.0002755300000000 ] - [ 0.0009152300000000, -0.0004006400000000, 0.0000787900000000 ] - [ -0.0061283800000000, -0.0043906700000000, -0.0069378400000000 ] - [ 0.0000195700000000, 0.0008481100000000, -0.0009243000000000 ] - [ -0.0035815800000000, -0.0056220400000000, 0.0138233900000000 ] - [ -0.0020910200000000, 0.0005739200000000, -0.0006563500000000 ] - [ 0.0010913000000000, 0.0014537700000000, -0.0005448500000000 ] - [ 0.0001512400000000, -0.0005181100000000, -0.0010453100000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0005595800000000, 0.0000056800000000, -0.0002704100000000 ] - [ -0.0002680500000000, 0.0001184400000000, -0.0003450600000000 ] - [ 0.0284605500000000, -0.0242347900000000, 0.0221024400000000 ] - [ -0.0041779200000000, 0.0001629800000000, 0.0011112800000000 ] - [ -0.0004682400000000, 0.0002963500000000, 0.0002072600000000 ] - [ 0.0007682100000000, 0.0001140900000000, 0.0001670500000000 ] - [ -0.0011150700000000, -0.0001184000000000, 0.0005588100000000 ] - [ 0.0943503700000000, 0.0265257100000000, -0.0581604800000000 ] - [ 0.0008628700000000, 0.0004356300000000, -0.0001347600000000 ] - [ -0.0010387700000000, 0.0003366200000000, -0.0001438200000000 ] - [ -0.0008129700000000, -0.0000480700000000, -0.0000283500000000 ] - [ 0.0004777500000000, 0.0002108400000000, -0.0000394300000000 ] - [ -0.0010689500000000, -0.0004504100000000, 0.0001464800000000 ] - [ 0.0011734300000000, -0.0003607400000000, 0.0001941100000000 ] - [ 0.0009439100000000, 0.0000210600000000, -0.0000189800000000 ] - [ -0.0006863100000000, -0.0002221200000000, 0.0000287400000000 ] - [ -0.0004819400000000, -0.0012713300000000, -0.0003662700000000 ] - [ 0.0002755500000000, -0.0003328200000000, 0.0006276400000000 ] - [ -0.0015881600000000, -0.0022375700000000, -0.0011385100000000 ] - [ -0.0013990700000000, -0.0003995000000000, 0.0006651300000000 ] - [ -0.0011999700000000, -0.0013163800000000, 0.0002267700000000 ] - [ -0.0010029400000000, 0.0008239600000000, -0.0004962200000000 ] - [ 0.0006335100000000, 0.0013910000000000, 0.0008413500000000 ] - [ 0.0009735700000000, 0.0018673400000000, -0.0012795200000000 ] - [ -0.0052094600000000, -0.0036929100000000, 0.0023089000000000 ] - [ 0.0047827000000000, -0.0035974300000000, 0.0042452300000000 ] - [ 0.0052623500000000, -0.0036591200000000, -0.0040584100000000 ] - [ 0.0005707900000000, -0.0000334900000000, -0.0001105800000000 ] - [ -0.0045348000000000, 0.0083770600000000, 0.0013697500000000 ] - [ -0.0015065900000000, 0.0010222500000000, -0.0007291000000000 ] - [ -0.0019552900000000, 0.0010543600000000, 0.0005338600000000 ] - [ -0.0001771300000000, 0.0005998400000000, -0.0001391300000000 ] - [ 0.0068791400000000, -0.0005893400000000, -0.0004737400000000 ] - [ -0.0007943400000000, -0.0006954000000000, 0.0019521300000000 ] - [ -0.0000984500000000, 0.0006476900000000, 0.0003182500000000 ] - [ -0.0004910900000000, 0.0004285800000000, 0.0002853200000000 ] - [ -0.0023210400000000, -0.0001525900000000, -0.0000499100000000 ] - [ -0.0016937100000000, -0.0005214800000000, -0.0053083000000000 ] - [ 0.0000544200000000, -0.0003180200000000, -0.0001602500000000 ] - [ 0.0001710400000000, -0.0000333800000000, -0.0009538500000000 ] - [ 0.0021326600000000, 0.0026757000000000, -0.0014844600000000 ] - [ -0.0036031200000000, 0.0042904700000000, 0.0075725200000000 ] - [ -0.0000915400000000, 0.0004153500000000, -0.0004658900000000 ] - [ 0.0018699300000000, 0.0023054000000000, 0.0017180900000000 ] - [ -0.0016782100000000, -0.0007535600000000, -0.0009103300000000 ] - [ -0.0064849400000000, -0.0020065100000000, -0.0035422300000000 ] - [ -0.0000688900000000, 0.0000447700000000, 0.0001316800000000 ] - [ 0.0002702500000000, 0.0018353200000000, 0.0014334000000000 ] - [ -0.0042496200000000, -0.0002949900000000, -0.0018119700000000 ] - [ 0.0293507500000000, -0.0242292400000000, -0.0227554900000000 ] - [ -0.0007269300000000, 0.0001974500000000, -0.0003709800000000 ] - [ 0.0006407000000000, 0.0004670700000000, -0.0004481400000000 ] - [ 0.0909658500000000, 0.0253472300000000, 0.0550431500000000 ] - [ -0.0015776600000000, -0.0000317500000000, 0.0001617300000000 ] - [ 0.0012271200000000, 0.0000371300000000, 0.0005472800000000 ] - [ -0.0005471000000000, -0.0001631500000000, 0.0005060200000000 ] - [ -0.0019624400000000, 0.0000654700000000, 0.0005761200000000 ] - [ 0.0012467300000000, 0.0000302300000000, 0.0010681200000000 ] - [ 0.0014818200000000, -0.0003520900000000, -0.0012457400000000 ] - [ -0.0023516700000000, -0.0001579700000000, -0.0007563800000000 ] - [ 0.0012144200000000, -0.0003524900000000, -0.0016501700000000 ] - [ -0.0013710800000000, -0.0002265100000000, -0.0000023200000000 ] - [ -0.0015993200000000, 0.0001543000000000, 0.0001695200000000 ] - [ 0.0016005700000000, -0.0001248600000000, 0.0018141000000000 ] - [ 0.0010995300000000, -0.0008392900000000, -0.0002815300000000 ] - [ -0.0016248800000000, -0.0015099600000000, 0.0009857700000000 ] - [ 0.0003134700000000, -0.0010523300000000, -0.0007782200000000 ] - [ 0.0039247300000000, 0.0019410800000000, -0.0034841100000000 ] - [ 0.0003918100000000, -0.0008873800000000, 0.0001317600000000 ] - [ 0.0006720400000000, 0.0006796100000000, -0.0006989200000000 ] - [ -0.0010504000000000, 0.0015266300000000, 0.0006365800000000 ] - [ -0.0003488800000000, 0.0007362500000000, -0.0005646900000000 ] - [ 0.0006011400000000, 0.0004184400000000, 0.0003067000000000 ] - [ -0.0007810000000000, -0.0000275500000000, 0.0003341300000000 ] - [ -0.0003299500000000, -0.0000630500000000, -0.0001384200000000 ] - [ -0.0052996500000000, -0.0041766500000000, -0.0021094700000000 ] - [ -0.0002149600000000, 0.0001450200000000, -0.0000610300000000 ] - [ -0.0004996300000000, 0.0015253000000000, -0.0007269400000000 ] - [ -0.0009844300000000, 0.0015823800000000, 0.0005389000000000 ] - [ -0.0044606500000000, 0.0087805800000000, -0.0015270900000000 ] - [ -0.0011316600000000, -0.0001732300000000, 0.0004664500000000 ] - [ 0.0005030600000000, 0.0000080500000000, 0.0004346200000000 ] - [ -0.0014037100000000, -0.0000558000000000, -0.0012065200000000 ] - [ 0.0075335100000000, 0.0000078300000000, 0.0012265400000000 ] - [ 0.0008138200000000, 0.0005736800000000, 0.0002022700000000 ] - [ -0.0005513600000000, 0.0003224400000000, -0.0005928100000000 ] - [ -0.0010910500000000, -0.0011593900000000, 0.0045022000000000 ] - [ -0.0029582300000000, -0.0007643900000000, -0.0006935400000000 ] - [ -0.0006180400000000, 0.0001972900000000, 0.0000398500000000 ] - [ -0.0004463700000000, 0.0006909100000000, 0.0007137300000000 ] - [ -0.0032724500000000, 0.0040444700000000, -0.0073410300000000 ] - [ -0.0008913600000000, -0.0001536500000000, 0.0002036200000000 ] - [ 0.0036752500000000, 0.0016028800000000, 0.0032603300000000 ] - [ 0.0002785600000000, -0.0002295900000000, -0.0003810100000000 ] - [ -0.0067983800000000, -0.0017153800000000, 0.0033058400000000 ] - [ -0.0010654400000000, 0.0006872500000000, 0.0007061600000000 ] - [ 0.0047422300000000, 0.0031731900000000, 0.0014224800000000 ] - [ 0.0001254700000000, 0.0010070200000000, 0.0002403000000000 ] - [ 0.0066184700000000, 0.0092915500000000, 0.0087310100000000 ] - [ 0.0035975800000000, 0.0026193900000000, 0.0000806500000000 ] - [ -0.0052251900000000, -0.0096085000000000, -0.0069736500000000 ] - [ 0.0005313600000000, -0.0022876600000000, -0.0005163100000000 ] - [ 0.0015091600000000, -0.0020492800000000, -0.0041615100000000 ] - [ -0.0039931900000000, -0.0090095300000000, 0.0054262700000000 ] - [ -0.2675079600000000, -0.0000218700000000, 0.0039694500000000 ] - [ 0.0047490400000000, 0.0006160400000000, -0.0000069100000000 ] - [ 0.0013545000000000, 0.0000138500000000, -0.0000013300000000 ] - [ -0.0013628900000000, -0.0000177300000000, -0.0000001200000000 ] - [ -0.0080440600000000, -0.0105262000000000, -0.0001090800000000 ] - [ 0.0306801800000000, -0.0030804100000000, -0.0125645300000000 ] - [ -0.0000452400000000, -0.0003883500000000, 0.0002201000000000 ] - [ 0.0022221700000000, -0.0002042800000000, -0.0003435500000000 ] - [ -0.0014478500000000, 0.0000978300000000, 0.0016241900000000 ] - [ 0.0060133200000000, 0.0103588900000000, -0.0071466200000000 ] - [ 0.0006886200000000, -0.0001505900000000, 0.0012910900000000 ] - [ -0.0026191700000000, -0.0004618100000000, -0.0000994700000000 ] - [ 0.0006647000000000, -0.0008891800000000, -0.0010625600000000 ] - [ 0.0020778900000000, -0.0032100300000000, 0.0026346600000000 ] - [ -0.0000121700000000, -0.0011246500000000, -0.0010023500000000 ] - [ 0.0018222000000000, -0.0003338000000000, -0.0004601000000000 ] - [ 0.0006926000000000, 0.0000007100000000, 0.0000002300000000 ] - [ -0.0007823200000000, -0.0006171300000000, 0.0000009800000000 ] - [ -0.0029088900000000, -0.0003023200000000, 0.0000047600000000 ] - [ 0.0024835300000000, 0.0004213300000000, 0.0000057800000000 ] - [ 0.0022233500000000, -0.0002089500000000, 0.0003467400000000 ] - [ -0.0000434200000000, -0.0003870300000000, -0.0002191700000000 ] - [ 0.0306168800000000, -0.0031829800000000, 0.0123438400000000 ] - [ -0.0079913500000000, -0.0104739600000000, 0.0001056700000000 ] - [ -0.0013037900000000, 0.0002087600000000, -0.0001742700000000 ] - [ 0.0005007900000000, 0.0000057000000000, 0.0016525100000000 ] - [ 0.0001160700000000, -0.0000288600000000, -0.0001539500000000 ] - [ 0.0019310300000000, 0.0001121600000000, 0.0001240400000000 ] - [ -0.0013080200000000, -0.0009711900000000, -0.0004599400000000 ] - [ 0.0007090000000000, -0.0000902800000000, -0.0004584000000000 ] - [ 0.0008132000000000, 0.0002565800000000, 0.0004584200000000 ] - [ -0.0004878100000000, -0.0003114200000000, 0.0004592700000000 ] - [ 0.0006434400000000, -0.0002386200000000, 0.0002709900000000 ] - [ 0.0009496500000000, 0.0010116600000000, 0.0003747900000000 ] - [ -0.0001639800000000, 0.0009926100000000, -0.0007362800000000 ] - [ -0.0014089300000000, 0.0094679000000000, -0.0024655400000000 ] - [ -0.0004021300000000, 0.0001905900000000, 0.0006924200000000 ] - [ -0.0005541100000000, -0.0005032800000000, -0.0002051800000000 ] - [ 0.0005614600000000, -0.0004939700000000, 0.0005655300000000 ] - [ 0.0030938400000000, -0.0022822100000000, -0.0004193200000000 ] - [ 0.0019298100000000, 0.0001052000000000, -0.0001237900000000 ] - [ 0.0001186100000000, -0.0000261300000000, 0.0001530500000000 ] - [ 0.0005014000000000, 0.0000100800000000, -0.0016299400000000 ] - [ -0.0013042300000000, 0.0002135800000000, 0.0001789700000000 ] - [ 0.0015069200000000, 0.0000472100000000, -0.0004553700000000 ] - [ -0.0192094500000000, -0.0041684400000000, -0.0004278600000000 ] - [ -0.0084042300000000, 0.0045362700000000, 0.0003990400000000 ] - [ 0.0049968600000000, -0.0007322200000000, 0.0004557100000000 ] - [ -0.0013880900000000, 0.0083662400000000, 0.0020895400000000 ] - [ 0.0008077800000000, 0.0010285900000000, 0.0018482300000000 ] - [ -0.0003118900000000, 0.0010166100000000, -0.0022016700000000 ] - [ 0.0006331500000000, 0.0008708600000000, -0.0006278600000000 ] - [ 0.0030716200000000, -0.0011540800000000, 0.0007718300000000 ] - [ 0.0041979300000000, -0.0037679100000000, -0.0040290200000000 ] - [ 0.0053390300000000, -0.0038015300000000, 0.0044312200000000 ] - [ -0.0003867600000000, -0.0009234300000000, -0.0003312300000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003669600000000, -0.0000088100000000, -0.0011476000000000 ] - [ 0.0002701300000000, -0.0003738700000000, -0.0010116600000000 ] - [ 0.0250425700000000, -0.0628406700000000, 0.0687725900000000 ] - [ 0.0009958200000000, 0.0000057800000000, -0.0000907000000000 ] - [ -0.0002998100000000, 0.0001905900000000, -0.0002968700000000 ] - [ -0.0004551100000000, -0.0009228000000000, 0.0006268500000000 ] - [ 0.0004540700000000, 0.0002911800000000, -0.0004378200000000 ] - [ -0.0595770600000000, -0.0243155400000000, 0.0676947100000000 ] - [ 0.0003045600000000, -0.0005838700000000, -0.0006792100000000 ] - [ 0.0000069800000000, -0.0000003000000000, 0.0005616100000000 ] - [ -0.0000069800000000, 0.0000003000000000, 0.0005616100000000 ] - [ -0.0003045600000000, 0.0005838700000000, -0.0006792100000000 ] - [ -0.0003844500000000, -0.0002357900000000, 0.0007394900000000 ] - [ -0.0000261600000000, 0.0003781300000000, 0.0009441200000000 ] - [ 0.0000261600000000, -0.0003781300000000, 0.0009441200000000 ] - [ 0.0003844500000000, 0.0002357900000000, 0.0007394900000000 ] - [ 0.0000410300000000, 0.0012511300000000, 0.0014644800000000 ] - [ 0.0007079600000000, 0.0014475500000000, -0.0012484600000000 ] - [ -0.0017366500000000, -0.0011767300000000, 0.0005218600000000 ] - [ 0.0005977400000000, 0.0008765800000000, -0.0003642900000000 ] - [ -0.0000410300000000, -0.0012511300000000, 0.0014644800000000 ] - [ -0.0012008500000000, -0.0006744700000000, 0.0016094400000000 ] - [ 0.0000424100000000, -0.0004953800000000, -0.0018433800000000 ] - [ -0.0004544000000000, 0.0017784000000000, 0.0006598900000000 ] - [ 0.0051901300000000, 0.0041644800000000, -0.0013535900000000 ] - [ 0.0064457400000000, 0.0016376000000000, 0.0049177000000000 ] - [ -0.0064457400000000, -0.0016376000000000, 0.0049177000000000 ] - [ -0.0007855600000000, -0.0009791700000000, -0.0005446400000000 ] - [ 0.0015995000000000, -0.0069079300000000, 0.0047091800000000 ] - [ -0.0005261600000000, 0.0007494900000000, -0.0007474400000000 ] - [ 0.0005261600000000, -0.0007494900000000, -0.0007474400000000 ] - [ -0.0000614700000000, 0.0004247700000000, -0.0009488400000000 ] - [ -0.0028137500000000, 0.0074204100000000, -0.0011757700000000 ] - [ 0.0009309500000000, 0.0001091700000000, -0.0019647600000000 ] - [ -0.0008625400000000, 0.0008746400000000, 0.0014203900000000 ] - [ 0.0004342600000000, 0.0002012900000000, 0.0000755600000000 ] - [ -0.0002368300000000, -0.0002591600000000, 0.0006709500000000 ] - [ -0.0080972600000000, -0.0021867300000000, -0.0019275400000000 ] - [ 0.0004016300000000, -0.0002048800000000, -0.0006779700000000 ] - [ -0.0007492300000000, 0.0003300700000000, -0.0027135000000000 ] - [ 0.0017118400000000, -0.0042365800000000, 0.0088921100000000 ] - [ 0.0035553900000000, -0.0028994000000000, -0.0051376300000000 ] - [ -0.0005232100000000, 0.0003145200000000, -0.0001060200000000 ] - [ -0.0017118400000000, 0.0042365800000000, 0.0088921100000000 ] - [ -0.0005977400000000, -0.0008765800000000, -0.0003642900000000 ] - [ 0.0045915800000000, 0.0014415000000000, 0.0086756700000000 ] - [ -0.0002996200000000, 0.0004950300000000, -0.0014230400000000 ] - [ 0.0004544000000000, -0.0017784000000000, 0.0006598900000000 ] - [ -0.0009958200000000, -0.0000057800000000, -0.0000907000000000 ] - [ -0.0250425700000000, 0.0628406700000000, 0.0687725900000000 ] - [ -0.0002701300000000, 0.0003738700000000, -0.0010116600000000 ] - [ 0.0003669600000000, 0.0000088100000000, -0.0011476000000000 ] - [ 0.0595770600000000, 0.0243155400000000, 0.0676947100000000 ] - [ -0.0004540700000000, -0.0002911800000000, -0.0004378200000000 ] - [ 0.0004551100000000, 0.0009228000000000, 0.0006268500000000 ] - [ 0.0002998100000000, -0.0001905900000000, -0.0002968700000000 ] - [ 0.0007650400000000, 0.0002529400000000, 0.0007728400000000 ] - [ -0.0001304600000000, 0.0000966300000000, -0.0040328800000000 ] - [ 0.0001304600000000, -0.0000966300000000, -0.0040328800000000 ] - [ -0.0007650400000000, -0.0002529400000000, 0.0007728400000000 ] - [ -0.0002782200000000, -0.0000899200000000, -0.0038450200000000 ] - [ 0.0008176800000000, -0.0000781200000000, -0.0005021100000000 ] - [ -0.0008176800000000, 0.0000781200000000, -0.0005021100000000 ] - [ 0.0002782200000000, 0.0000899200000000, -0.0038450200000000 ] - [ 0.0012098600000000, 0.0000944200000000, -0.0019873800000000 ] - [ 0.0017366500000000, 0.0011767300000000, 0.0005218600000000 ] - [ -0.0007079600000000, -0.0014475500000000, -0.0012484600000000 ] - [ 0.0031566800000000, 0.0039163200000000, -0.0053550000000000 ] - [ -0.0012098600000000, -0.0000944200000000, -0.0019873800000000 ] - [ -0.0000424100000000, 0.0004953800000000, -0.0018433800000000 ] - [ 0.0012008500000000, 0.0006744700000000, 0.0016094400000000 ] - [ -0.0007381600000000, 0.0007615000000000, -0.0011004900000000 ] - [ 0.0007855600000000, 0.0009791700000000, -0.0005446400000000 ] - [ -0.0000266000000000, 0.0000945500000000, -0.0007518300000000 ] - [ 0.0000266000000000, -0.0000945500000000, -0.0007518300000000 ] - [ -0.0051901300000000, -0.0041644800000000, -0.0013535900000000 ] - [ 0.0000614700000000, -0.0004247700000000, -0.0009488400000000 ] - [ -0.0036768800000000, 0.0051137300000000, -0.0015321400000000 ] - [ 0.0036768800000000, -0.0051137300000000, -0.0015321400000000 ] - [ -0.0015995000000000, 0.0069079300000000, 0.0047091800000000 ] - [ -0.0004342600000000, -0.0002012900000000, 0.0000755600000000 ] - [ 0.0008625400000000, -0.0008746400000000, 0.0014203900000000 ] - [ -0.0009309500000000, -0.0001091700000000, -0.0019647600000000 ] - [ 0.0028137500000000, -0.0074204100000000, -0.0011757700000000 ] - [ 0.0007492300000000, -0.0003300700000000, -0.0027135000000000 ] - [ -0.0004016300000000, 0.0002048800000000, -0.0006779700000000 ] - [ 0.0080972600000000, 0.0021867300000000, -0.0019275400000000 ] - [ 0.0002368300000000, 0.0002591600000000, 0.0006709500000000 ] - [ -0.0002190500000000, 0.0000502300000000, -0.0011710500000000 ] - [ 0.0005232100000000, -0.0003145200000000, -0.0001060200000000 ] - [ -0.0035553900000000, 0.0028994000000000, -0.0051376300000000 ] - [ 0.0002190500000000, -0.0000502300000000, -0.0011710500000000 ] - [ -0.0031566800000000, -0.0039163200000000, -0.0053550000000000 ] - [ 0.0002996200000000, -0.0004950300000000, -0.0014230400000000 ] - [ -0.0045915800000000, -0.0014415000000000, 0.0086756700000000 ] - [ 0.0007381600000000, -0.0007615000000000, -0.0011004900000000 ] - [ -0.0015433900000000, -0.0025015300000000, -0.0011039800000000 ] - [ -0.0006720200000000, -0.0003287100000000, 0.0021767200000000 ] - [ 0.0089767000000000, 0.0016106200000000, -0.0077195200000000 ] - [ 0.0015433900000000, 0.0025015300000000, -0.0011039800000000 ] - [ -0.0027363300000000, 0.0084173600000000, -0.0091669900000000 ] - [ 0.0030460800000000, -0.0026909500000000, -0.0026217600000000 ] - [ -0.0023789000000000, 0.0026916600000000, 0.0030809500000000 ] - [ 0.0027363300000000, -0.0084173600000000, -0.0091669900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3471361300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011409700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013249400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004017700000000 ] - [ 0.0059189600000000, 0.0250142300000000, 0.0039674900000000 ] - [ -0.0250290900000000, 0.0059812200000000, 0.0039600400000000 ] - [ 0.0006070400000000, 0.0001357500000000, 0.0016144400000000 ] - [ 0.0001335800000000, -0.0006060100000000, 0.0016222400000000 ] - [ -0.0015359700000000, -0.0018277800000000, 0.0046035100000000 ] - [ -0.0089767000000000, -0.0016106200000000, -0.0077195200000000 ] - [ 0.0006720200000000, 0.0003287100000000, 0.0021767200000000 ] - [ 0.0015359700000000, 0.0018277800000000, 0.0046035100000000 ] - [ -0.0014883100000000, 0.0001191300000000, 0.0006508600000000 ] - [ 0.0023789000000000, -0.0026916600000000, 0.0030809500000000 ] - [ -0.0030460800000000, 0.0026909500000000, -0.0026217600000000 ] - [ 0.0014883100000000, -0.0001191300000000, 0.0006508600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004097700000000 ] - [ -0.0001335800000000, 0.0006060100000000, 0.0016222400000000 ] - [ -0.0006070400000000, -0.0001357500000000, 0.0016144400000000 ] - [ 0.0250290900000000, -0.0059812200000000, 0.0039600400000000 ] - [ -0.0059189600000000, -0.0250142300000000, 0.0039674900000000 ] - [ -0.0003436200000000, -0.0015768300000000, 0.0032778900000000 ] - [ 0.0015921200000000, -0.0003452800000000, 0.0032916700000000 ] - [ 0.0000787900000000, -0.0000114500000000, -0.0008465800000000 ] - [ -0.0000090800000000, -0.0000771300000000, -0.0008508900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004646200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004541700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018986300000000 ] - [ 0.0005431800000000, -0.0003118800000000, 0.0006205500000000 ] - [ 0.0015275800000000, 0.0006171000000000, -0.0007955200000000 ] - [ -0.0015275800000000, -0.0006171000000000, -0.0007955200000000 ] - [ -0.0016078800000000, -0.0075281000000000, -0.0019463000000000 ] - [ 0.0009061200000000, -0.0000687700000000, 0.0027554100000000 ] - [ -0.0007981200000000, 0.0005295800000000, 0.0009839200000000 ] - [ 0.0007981200000000, -0.0005295800000000, 0.0009839200000000 ] - [ -0.0006055100000000, 0.0004171600000000, -0.0004292800000000 ] - [ 0.0000090800000000, 0.0000771300000000, -0.0008508900000000 ] - [ -0.0000787900000000, 0.0000114500000000, -0.0008465800000000 ] - [ -0.0015921200000000, 0.0003452800000000, 0.0032916700000000 ] - [ 0.0003436200000000, 0.0015768300000000, 0.0032778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0344540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010460300000000 ] - [ 0.0016078800000000, 0.0075281000000000, -0.0019463000000000 ] - [ 0.0011689600000000, 0.0009125700000000, 0.0024030900000000 ] - [ -0.0011689600000000, -0.0009125700000000, 0.0024030900000000 ] - [ -0.0005431800000000, 0.0003118800000000, 0.0006205500000000 ] - [ 0.0006055100000000, -0.0004171600000000, -0.0004292800000000 ] - [ -0.0086388100000000, 0.0016204100000000, -0.0016054600000000 ] - [ 0.0086388100000000, -0.0016204100000000, -0.0016054600000000 ] - [ -0.0009061200000000, 0.0000687700000000, 0.0027554100000000 ]- atom: 107 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0016390900000000, -0.0001921100000000, -0.0003660700000000 ] - [ 0.0013259100000000, 0.0001867100000000, -0.0017800500000000 ] - [ -0.0010638200000000, 0.0002050600000000, -0.0003951000000000 ] - [ 0.0011333900000000, 0.0003508200000000, -0.0005786200000000 ] - [ 0.0011338100000000, 0.0005157900000000, 0.0017992000000000 ] - [ -0.0018807500000000, -0.0001709000000000, 0.0005186000000000 ] - [ 0.0007202200000000, 0.0002630200000000, 0.0004970000000000 ] - [ -0.0010388000000000, -0.0001832300000000, 0.0004738700000000 ] - [ -0.0010605700000000, -0.0000325700000000, -0.0001640600000000 ] - [ 0.0758902600000000, -0.0424658500000000, 0.0528377300000000 ] - [ 0.0775090800000000, -0.0447447200000000, -0.0556556100000000 ] - [ -0.0014405700000000, -0.0002568500000000, -0.0000057900000000 ] - [ 0.0580560900000000, 0.0423336700000000, -0.0421481400000000 ] - [ -0.0024187700000000, 0.0000937700000000, -0.0007208000000000 ] - [ -0.0026530800000000, 0.0004757200000000, 0.0009077800000000 ] - [ 0.0586281100000000, 0.0437682300000000, 0.0436805700000000 ] - [ -0.0017508700000000, -0.0054846700000000, -0.0025153600000000 ] - [ -0.0006514300000000, -0.0003689700000000, -0.0005608900000000 ] - [ -0.0019231900000000, -0.0028144900000000, 0.0006262500000000 ] - [ 0.0044125000000000, 0.0019320800000000, 0.0002883200000000 ] - [ -0.0024767400000000, -0.0055803200000000, 0.0023928700000000 ] - [ 0.0008496600000000, 0.0039094200000000, 0.0033379200000000 ] - [ -0.0004744900000000, 0.0004908100000000, -0.0002768200000000 ] - [ -0.0033142200000000, 0.0020754800000000, 0.0010143000000000 ] - [ 0.0003340000000000, -0.0011360300000000, -0.0007782600000000 ] - [ -0.0020688100000000, -0.0004101800000000, -0.0001515100000000 ] - [ -0.0016222600000000, -0.0004356100000000, 0.0003436500000000 ] - [ -0.0008393600000000, -0.0008194800000000, 0.0009642300000000 ] - [ -0.0005210100000000, 0.0009225700000000, -0.0001959700000000 ] - [ 0.0005904000000000, 0.0007351400000000, 0.0011665200000000 ] - [ 0.0001331900000000, 0.0007769100000000, -0.0013709500000000 ] - [ 0.0006448600000000, 0.0010517600000000, 0.0000883500000000 ] - [ -0.0018195000000000, 0.0001608400000000, 0.0007517600000000 ] - [ 0.0004651600000000, -0.0001254100000000, 0.0001525800000000 ] - [ -0.0044688000000000, 0.0014874000000000, 0.0022368000000000 ] - [ 0.0031972900000000, -0.0008781000000000, 0.0037068500000000 ] - [ 0.0039259500000000, 0.0003079100000000, 0.0019541800000000 ] - [ -0.0008370200000000, -0.0004312600000000, -0.0000712700000000 ] - [ -0.0008108300000000, -0.0022829900000000, -0.0039349800000000 ] - [ -0.0011042000000000, -0.0003039900000000, -0.0005560500000000 ] - [ -0.0015820900000000, 0.0005443700000000, -0.0004213200000000 ] - [ -0.0003719700000000, 0.0002422200000000, -0.0001837100000000 ] - [ -0.0006706800000000, 0.0004659900000000, 0.0032180500000000 ] - [ -0.0018599500000000, 0.0001875600000000, 0.0006805600000000 ] - [ 0.0041575000000000, 0.0015955400000000, -0.0005358000000000 ] - [ 0.0004077000000000, -0.0004132500000000, -0.0004441900000000 ] - [ -0.0008009200000000, 0.0003260100000000, -0.0009998700000000 ] - [ -0.0040528700000000, 0.0020258900000000, -0.0008630500000000 ] - [ 0.0010607700000000, -0.0001113700000000, -0.0001351100000000 ] - [ -0.0006027200000000, 0.0001339700000000, -0.0003186200000000 ] - [ 0.0008660000000000, 0.0002611000000000, 0.0010562300000000 ] - [ -0.0015586800000000, 0.0002682000000000, -0.0003549300000000 ] - [ -0.0009611400000000, 0.0002759800000000, 0.0002415300000000 ] - [ 0.0002609300000000, 0.0003435500000000, 0.0002187100000000 ] - [ -0.0014211400000000, -0.0002521400000000, 0.0001860000000000 ] - [ 0.0010659800000000, 0.0000549600000000, -0.0010792100000000 ] - [ 0.0011714300000000, 0.0003464300000000, -0.0004776700000000 ] - [ -0.0005108700000000, 0.0002051200000000, -0.0001736300000000 ] - [ -0.0002845700000000, -0.0001788700000000, -0.0000029700000000 ] - [ 0.0007838800000000, 0.0001174500000000, 0.0002992000000000 ] - [ -0.0006697400000000, -0.0002477300000000, 0.0001426300000000 ] - [ 0.0006827600000000, -0.0006812200000000, 0.0000367500000000 ] - [ 0.0004545200000000, -0.0002995500000000, 0.0001375400000000 ] - [ -0.0002864500000000, -0.0000201800000000, 0.0000339600000000 ] - [ 0.0001086100000000, -0.0002827200000000, -0.0002979200000000 ] - [ -0.0019447500000000, -0.0020851700000000, -0.0007760500000000 ] - [ -0.0006025700000000, -0.0010798200000000, 0.0004202900000000 ] - [ -0.0007761500000000, 0.0000496200000000, -0.0001340000000000 ] - [ -0.0006097200000000, -0.0003239000000000, 0.0001495400000000 ] - [ -0.0004269500000000, -0.0002227200000000, 0.0004232900000000 ] - [ 0.0008111600000000, 0.0046677800000000, -0.0032031400000000 ] - [ 0.0011166800000000, -0.0001354200000000, 0.0004380100000000 ] - [ -0.0007980200000000, -0.0003700500000000, -0.0007685100000000 ] - [ 0.0006835700000000, -0.0005773600000000, 0.0003773900000000 ] - [ 0.0011399700000000, -0.0006111300000000, -0.0001799100000000 ] - [ 0.0003061600000000, -0.0015993100000000, 0.0009848300000000 ] - [ 0.0006165800000000, 0.0006016700000000, -0.0002903300000000 ] - [ -0.0017542800000000, 0.0010229100000000, 0.0004857200000000 ] - [ -0.0022073200000000, 0.0010653100000000, -0.0006936400000000 ] - [ -0.0004859600000000, 0.0013751500000000, 0.0000032400000000 ] - [ 0.0025434200000000, -0.0014696100000000, -0.0029377000000000 ] - [ -0.0038973900000000, 0.0008574700000000, -0.0015029100000000 ] - [ -0.0001365600000000, 0.0005135000000000, 0.0006001600000000 ] - [ -0.0011831500000000, 0.0007663600000000, 0.0000027600000000 ] - [ -0.0004640000000000, 0.0003006900000000, -0.0001990900000000 ] - [ -0.0013968500000000, -0.0016374200000000, 0.0031835400000000 ] - [ -0.0002285800000000, -0.0010700000000000, -0.0006838400000000 ] - [ 0.0032717400000000, -0.0003067800000000, -0.0027087900000000 ] - [ 0.0005985900000000, -0.0000452500000000, -0.0009856000000000 ] - [ -0.0010001200000000, 0.0007293600000000, -0.0029942900000000 ] - [ -0.0000206900000000, -0.0000356500000000, 0.0004372600000000 ] - [ 0.0003247900000000, -0.0003979800000000, 0.0012383200000000 ] - [ -0.0010549500000000, -0.0002955100000000, -0.0001232600000000 ] - [ -0.0004470400000000, 0.0000500400000000, 0.0007464800000000 ] - [ 0.0000624800000000, -0.0001381900000000, 0.0001930500000000 ] - [ 0.0004084900000000, -0.0001793800000000, -0.0002941900000000 ] - [ -0.0047237000000000, 0.0043161000000000, 0.0049623300000000 ] - [ -0.0001151900000000, 0.0027583300000000, 0.0021750800000000 ] - [ 0.0014870300000000, 0.0013527100000000, 0.0013220700000000 ] - [ -0.0059428500000000, 0.0037809200000000, -0.0034582000000000 ] - [ 0.0026007800000000, -0.0022185700000000, -0.0016918300000000 ] - [ 0.0048652600000000, -0.0051523600000000, -0.0052097500000000 ] - [ 0.0000268700000000, -0.0001273800000000, -0.0000688900000000 ] - [ 0.0037553500000000, -0.0016638000000000, 0.0001518600000000 ] - [ 0.0013542700000000, -0.0000126300000000, -0.0000010700000000 ] - [ -0.0013623500000000, -0.0004219100000000, -0.0000012700000000 ] - [ -0.2753135700000000, 0.0000122500000000, 0.0013603700000000 ] - [ 0.0031333300000000, -0.0006462100000000, -0.0000103300000000 ] - [ 0.0032782100000000, -0.0003536700000000, 0.0000269300000000 ] - [ 0.0001570000000000, -0.0003372700000000, 0.0003216900000000 ] - [ 0.0007115500000000, -0.0001714700000000, -0.0020911900000000 ] - [ -0.0017122600000000, -0.0005890400000000, -0.0014456700000000 ] - [ 0.0019954400000000, 0.0009273500000000, 0.0012047700000000 ] - [ 0.0009184200000000, 0.0025165900000000, 0.0002164200000000 ] - [ 0.0004349000000000, 0.0015980100000000, -0.0006492000000000 ] - [ 0.0008408300000000, 0.0003696200000000, 0.0003287400000000 ] - [ -0.0031498200000000, -0.0001677800000000, -0.0015583500000000 ] - [ 0.0005753300000000, -0.0012833200000000, -0.0014590200000000 ] - [ 0.0043285600000000, -0.0040354100000000, 0.0037455700000000 ] - [ -0.0019758500000000, 0.0003855800000000, 0.0000330900000000 ] - [ -0.0029097600000000, 0.0003026900000000, -0.0000002100000000 ] - [ 0.0024839900000000, 0.0000173000000000, 0.0000100500000000 ] - [ 0.0006061100000000, -0.0000000500000000, -0.0000000900000000 ] - [ -0.0009852500000000, 0.0006460400000000, 0.0000021400000000 ] - [ -0.0017163100000000, -0.0005962600000000, 0.0014485200000000 ] - [ 0.0006998000000000, -0.0001644900000000, 0.0021073100000000 ] - [ 0.0001521000000000, -0.0003328700000000, -0.0003234000000000 ] - [ 0.0032751300000000, -0.0003415700000000, -0.0000252900000000 ] - [ 0.0009750000000000, 0.0000455500000000, -0.0001883500000000 ] - [ 0.0000221100000000, 0.0002114700000000, -0.0001895400000000 ] - [ 0.0146747000000000, 0.0015906100000000, 0.0071392100000000 ] - [ -0.0065669000000000, 0.0059426900000000, 0.0006223800000000 ] - [ 0.0042586700000000, 0.0004297700000000, -0.0004617400000000 ] - [ -0.0109897100000000, -0.0084340800000000, -0.0005096100000000 ] - [ -0.0150982200000000, 0.0081786900000000, 0.0004973200000000 ] - [ 0.0010749500000000, -0.0000364500000000, 0.0004588200000000 ] - [ -0.0000898400000000, 0.0000889400000000, -0.0014025700000000 ] - [ 0.0085482700000000, 0.0042280800000000, -0.0044661600000000 ] - [ 0.0074623400000000, 0.0042791000000000, 0.0041712800000000 ] - [ 0.0024656200000000, 0.0015754600000000, 0.0004817800000000 ] - [ 0.0005471600000000, 0.0003442500000000, -0.0001076500000000 ] - [ 0.0001989300000000, -0.0006219600000000, 0.0017919200000000 ] - [ 0.0013025500000000, -0.0006120000000000, -0.0014279000000000 ] - [ 0.0010535000000000, -0.0113710900000000, 0.0017909000000000 ] - [ -0.0065495300000000, 0.0059033800000000, -0.0006273300000000 ] - [ 0.0147925000000000, 0.0015736500000000, -0.0072617500000000 ] - [ 0.0000195300000000, 0.0002112100000000, 0.0001907200000000 ] - [ 0.0009756400000000, 0.0000471100000000, 0.0001863600000000 ] - [ -0.0005336400000000, 0.0001258700000000, -0.0004580900000000 ] - [ 0.0007260400000000, -0.0003101900000000, -0.0004607900000000 ] - [ 0.0008294000000000, 0.0001062900000000, 0.0004609700000000 ] - [ -0.0008712500000000, 0.0001668600000000, 0.0004577100000000 ] - [ 0.0024871000000000, 0.0004723100000000, -0.0008517100000000 ] - [ 0.0005355000000000, 0.0001782800000000, -0.0004249300000000 ] - [ -0.0005750700000000, 0.0001682500000000, 0.0000598900000000 ] - [ -0.0001075900000000, 0.0011970700000000, 0.0010366300000000 ] - [ 0.0010250300000000, -0.0102459100000000, -0.0014574400000000 ] - [ -0.0004706900000000, -0.0011517300000000, 0.0008865900000000 ] - [ 0.0006435400000000, -0.0011298800000000, -0.0005199100000000 ] - [ 0.0005544400000000, -0.0007708800000000, 0.0004749900000000 ]- atom: 107 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008652200000000, -0.0002029000000000, -0.0010863100000000 ] - [ 0.0001824700000000, 0.0001737800000000, -0.0038799500000000 ] - [ -0.0002522200000000, -0.0001441900000000, 0.0002937900000000 ] - [ 0.0000001600000000, 0.0004857700000000, 0.0000033400000000 ] - [ 0.0002615100000000, 0.0002821400000000, -0.0031732800000000 ] - [ 0.0000248400000000, 0.0000786900000000, 0.0007223100000000 ] - [ 0.0002569100000000, -0.0009334000000000, -0.0003734300000000 ] - [ -0.0002207000000000, -0.0002081300000000, 0.0010070000000000 ] - [ -0.0002574400000000, 0.0002096400000000, -0.0008051200000000 ] - [ 0.0572278000000000, -0.0453920400000000, 0.0824343500000000 ] - [ -0.0572278000000000, 0.0453920400000000, 0.0824343500000000 ] - [ 0.0002574400000000, -0.0002096400000000, -0.0008051200000000 ] - [ -0.0482090600000000, -0.0605534900000000, 0.0849057500000000 ] - [ -0.0002723700000000, -0.0004413800000000, 0.0006045700000000 ] - [ 0.0002723700000000, 0.0004413800000000, 0.0006045700000000 ] - [ 0.0482090600000000, 0.0605534900000000, 0.0849057500000000 ] - [ -0.0007569600000000, -0.0024638700000000, 0.0043842900000000 ] - [ -0.0006036600000000, -0.0004732500000000, -0.0005513600000000 ] - [ 0.0031005600000000, 0.0042990500000000, -0.0006111800000000 ] - [ -0.0018403600000000, -0.0039273800000000, -0.0022941700000000 ] - [ 0.0007569600000000, 0.0024638700000000, 0.0043842900000000 ] - [ 0.0025098400000000, -0.0014768000000000, 0.0045440700000000 ] - [ -0.0004245100000000, 0.0003954900000000, -0.0008615400000000 ] - [ 0.0050383000000000, -0.0030646300000000, -0.0004741900000000 ] - [ -0.0005403300000000, -0.0007759300000000, 0.0003281400000000 ] - [ -0.0013162200000000, 0.0000548200000000, 0.0013945800000000 ] - [ 0.0013162200000000, -0.0000548200000000, 0.0013945800000000 ] - [ 0.0012660300000000, 0.0004372600000000, -0.0015872200000000 ] - [ 0.0000214000000000, 0.0008692500000000, 0.0011984000000000 ] - [ 0.0008799400000000, -0.0012982000000000, -0.0017950900000000 ] - [ -0.0008799400000000, 0.0012982000000000, -0.0017950900000000 ] - [ 0.0007495700000000, -0.0000813700000000, -0.0021196700000000 ] - [ 0.0005582700000000, -0.0009928400000000, 0.0004573600000000 ] - [ 0.0002570600000000, 0.0000049900000000, -0.0005077300000000 ] - [ 0.0007243900000000, -0.0008786700000000, 0.0052698500000000 ] - [ -0.0015667600000000, 0.0032149500000000, -0.0043076000000000 ] - [ 0.0015256200000000, 0.0013359000000000, 0.0045091500000000 ] - [ 0.0003841300000000, 0.0011899500000000, -0.0002907900000000 ] - [ -0.0025855100000000, -0.0022050800000000, -0.0050568400000000 ] - [ -0.0006448300000000, -0.0003487800000000, -0.0012594300000000 ] - [ 0.0007800800000000, 0.0002249800000000, 0.0019619000000000 ] - [ -0.0003133400000000, 0.0003077000000000, -0.0000591100000000 ] - [ 0.0043064700000000, -0.0021157700000000, -0.0020467500000000 ] - [ -0.0007800800000000, -0.0002249800000000, 0.0019619000000000 ] - [ 0.0018403600000000, 0.0039273800000000, -0.0022941700000000 ] - [ 0.0001224300000000, 0.0005042500000000, 0.0017093800000000 ] - [ -0.0005168500000000, 0.0005674900000000, -0.0031150000000000 ] - [ -0.0050383000000000, 0.0030646300000000, -0.0004741900000000 ] - [ -0.0000001600000000, -0.0004857700000000, 0.0000033400000000 ] - [ 0.0002522200000000, 0.0001441900000000, 0.0002937900000000 ] - [ -0.0001824700000000, -0.0001737800000000, -0.0038799500000000 ] - [ -0.0008652200000000, 0.0002029000000000, -0.0010863100000000 ] - [ 0.0002207000000000, 0.0002081300000000, 0.0010070000000000 ] - [ -0.0002569100000000, 0.0009334000000000, -0.0003734300000000 ] - [ -0.0000248400000000, -0.0000786900000000, 0.0007223100000000 ] - [ -0.0002615100000000, -0.0002821400000000, -0.0031732800000000 ] - [ -0.0000579600000000, 0.0005023800000000, 0.0004308100000000 ] - [ -0.0002810500000000, 0.0002584600000000, -0.0006695100000000 ] - [ 0.0002810500000000, -0.0002584600000000, -0.0006695100000000 ] - [ 0.0000579600000000, -0.0005023800000000, 0.0004308100000000 ] - [ -0.0001263000000000, 0.0000521200000000, -0.0004933500000000 ] - [ 0.0000175300000000, -0.0006427000000000, -0.0006244600000000 ] - [ -0.0000175300000000, 0.0006427000000000, -0.0006244600000000 ] - [ 0.0001263000000000, -0.0000521200000000, -0.0004933500000000 ] - [ 0.0003186500000000, -0.0003825900000000, -0.0010067600000000 ] - [ -0.0031005600000000, -0.0042990500000000, -0.0006111800000000 ] - [ 0.0006036600000000, 0.0004732500000000, -0.0005513600000000 ] - [ -0.0000342200000000, 0.0000331400000000, -0.0003033800000000 ] - [ -0.0003186500000000, 0.0003825900000000, -0.0010067600000000 ] - [ 0.0004245100000000, -0.0003954900000000, -0.0008615400000000 ] - [ -0.0025098400000000, 0.0014768000000000, 0.0045440700000000 ] - [ 0.0011937900000000, -0.0005662700000000, -0.0004012400000000 ] - [ -0.0012660300000000, -0.0004372600000000, -0.0015872200000000 ] - [ -0.0005253300000000, -0.0007130400000000, -0.0019192900000000 ] - [ 0.0005253300000000, 0.0007130400000000, -0.0019192900000000 ] - [ 0.0005403300000000, 0.0007759300000000, 0.0003281400000000 ] - [ -0.0007495700000000, 0.0000813700000000, -0.0021196700000000 ] - [ 0.0012299100000000, -0.0005765000000000, 0.0001349600000000 ] - [ -0.0012299100000000, 0.0005765000000000, 0.0001349600000000 ] - [ -0.0000214000000000, -0.0008692500000000, 0.0011984000000000 ] - [ 0.0015667600000000, -0.0032149500000000, -0.0043076000000000 ] - [ -0.0007243900000000, 0.0008786700000000, 0.0052698500000000 ] - [ -0.0002570600000000, -0.0000049900000000, -0.0005077300000000 ] - [ -0.0005582700000000, 0.0009928400000000, 0.0004573600000000 ] - [ 0.0006448300000000, 0.0003487800000000, -0.0012594300000000 ] - [ 0.0025855100000000, 0.0022050800000000, -0.0050568400000000 ] - [ -0.0003841300000000, -0.0011899500000000, -0.0002907900000000 ] - [ -0.0015256200000000, -0.0013359000000000, 0.0045091500000000 ] - [ -0.0002916200000000, -0.0001744500000000, -0.0028690600000000 ] - [ -0.0043064700000000, 0.0021157700000000, -0.0020467500000000 ] - [ 0.0003133400000000, -0.0003077000000000, -0.0000591100000000 ] - [ 0.0002916200000000, 0.0001744500000000, -0.0028690600000000 ] - [ 0.0000342200000000, -0.0000331400000000, -0.0003033800000000 ] - [ 0.0005168500000000, -0.0005674900000000, -0.0031150000000000 ] - [ -0.0001224300000000, -0.0005042500000000, 0.0017093800000000 ] - [ -0.0011937900000000, 0.0005662700000000, -0.0004012400000000 ] - [ 0.0032352500000000, 0.0047272700000000, -0.0021085100000000 ] - [ 0.0015757000000000, 0.0028367700000000, 0.0044592500000000 ] - [ -0.0017929700000000, -0.0028295700000000, -0.0020759400000000 ] - [ -0.0032352500000000, -0.0047272700000000, -0.0021085100000000 ] - [ 0.0016749300000000, -0.0023582100000000, -0.0036065600000000 ] - [ -0.0041860300000000, 0.0020838800000000, -0.0036669100000000 ] - [ 0.0004222100000000, -0.0005625000000000, 0.0005006400000000 ] - [ -0.0016749300000000, 0.0023582100000000, -0.0036065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013250700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4069365200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004983900000000 ] - [ -0.0003131300000000, -0.0001677000000000, -0.0012251300000000 ] - [ 0.0001655900000000, -0.0003161500000000, -0.0012189700000000 ] - [ -0.0021844900000000, -0.0008133900000000, 0.0048792500000000 ] - [ -0.0008040400000000, 0.0021636500000000, 0.0048719700000000 ] - [ 0.0017241900000000, 0.0009827900000000, 0.0020219200000000 ] - [ 0.0017929700000000, 0.0028295700000000, -0.0020759400000000 ] - [ -0.0015757000000000, -0.0028367700000000, 0.0044592500000000 ] - [ -0.0017241900000000, -0.0009827900000000, 0.0020219200000000 ] - [ 0.0016924200000000, -0.0021429500000000, 0.0029395400000000 ] - [ -0.0004222100000000, 0.0005625000000000, 0.0005006400000000 ] - [ 0.0041860300000000, -0.0020838800000000, -0.0036669100000000 ] - [ -0.0016924200000000, 0.0021429500000000, 0.0029395400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073055300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004922000000000 ] - [ 0.0008040400000000, -0.0021636500000000, 0.0048719700000000 ] - [ 0.0021844900000000, 0.0008133900000000, 0.0048792500000000 ] - [ -0.0001655900000000, 0.0003161500000000, -0.0012189700000000 ] - [ 0.0003131300000000, 0.0001677000000000, -0.0012251300000000 ] - [ -0.0000771500000000, 0.0002684100000000, 0.0008293400000000 ] - [ -0.0002698600000000, -0.0000748300000000, 0.0008266900000000 ] - [ 0.0127290700000000, 0.0036991900000000, -0.0000619200000000 ] - [ 0.0036827300000000, -0.0127569000000000, -0.0000831500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0366638400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0370324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019091900000000 ] - [ -0.0009176700000000, -0.0014850000000000, 0.0024513500000000 ] - [ -0.0106879400000000, -0.0026685600000000, -0.0008361900000000 ] - [ 0.0106879400000000, 0.0026685600000000, -0.0008361900000000 ] - [ 0.0004055300000000, 0.0010454800000000, -0.0009420400000000 ] - [ -0.0003428200000000, 0.0008376700000000, 0.0009671500000000 ] - [ 0.0003640000000000, -0.0009191800000000, 0.0028216700000000 ] - [ -0.0003640000000000, 0.0009191800000000, 0.0028216700000000 ] - [ 0.0026638700000000, -0.0118095500000000, -0.0004688300000000 ] - [ -0.0036827300000000, 0.0127569000000000, -0.0000831500000000 ] - [ -0.0127290700000000, -0.0036991900000000, -0.0000619200000000 ] - [ 0.0002698600000000, 0.0000748300000000, 0.0008266900000000 ] - [ 0.0000771500000000, -0.0002684100000000, 0.0008293400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009899600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003365600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011834200000000 ] - [ -0.0004055300000000, -0.0010454800000000, -0.0009420400000000 ] - [ 0.0002786500000000, -0.0003289700000000, 0.0006061100000000 ] - [ -0.0002786500000000, 0.0003289700000000, 0.0006061100000000 ] - [ 0.0009176700000000, 0.0014850000000000, 0.0024513500000000 ] - [ -0.0026638700000000, 0.0118095500000000, -0.0004688300000000 ] - [ -0.0000664700000000, -0.0004190600000000, -0.0005835300000000 ] - [ 0.0000664700000000, 0.0004190600000000, -0.0005835300000000 ] - [ 0.0003428200000000, -0.0008376700000000, 0.0009671500000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0008554000000000, -0.0019118400000000, -0.0018292200000000 ] - [ -0.0004003700000000, 0.0000194700000000, -0.0002821100000000 ] - [ 0.0023906000000000, -0.0052123300000000, 0.0009776700000000 ] - [ -0.0019427000000000, 0.0007095700000000, 0.0011055200000000 ] - [ -0.0020709800000000, -0.0001829300000000, -0.0003922200000000 ] - [ 0.0205257000000000, 0.0063350600000000, -0.0001596200000000 ] - [ -0.0006427400000000, -0.0001210500000000, 0.0005921600000000 ] - [ 0.0059546900000000, 0.0024118700000000, 0.0001033600000000 ] - [ 0.0009005000000000, 0.0001961100000000, -0.0005416900000000 ] - [ -0.0016443100000000, 0.0000367100000000, -0.0001609700000000 ] - [ -0.0020339600000000, 0.0005523300000000, -0.0004172600000000 ] - [ 0.0008246300000000, 0.0000188400000000, -0.0006988700000000 ] - [ -0.0035726900000000, -0.0012551000000000, 0.0005487200000000 ] - [ 0.0031180300000000, -0.0000035500000000, 0.0001206900000000 ] - [ 0.0012674900000000, 0.0005839400000000, -0.0010812900000000 ] - [ -0.0018744000000000, 0.0000180400000000, -0.0004801100000000 ] - [ -0.0046976200000000, -0.0019124600000000, 0.0043157700000000 ] - [ 0.0004685800000000, 0.0002456600000000, 0.0000655800000000 ] - [ -0.0115769400000000, -0.0004149900000000, -0.0054713200000000 ] - [ -0.0018089600000000, 0.0000645500000000, 0.0012351900000000 ] - [ -0.0010752000000000, 0.0008797900000000, -0.0006574000000000 ] - [ -0.0008161600000000, -0.0008716000000000, 0.0002313600000000 ] - [ 0.0002012400000000, 0.0005353100000000, -0.0000759900000000 ] - [ -0.0009842700000000, 0.0008405500000000, -0.0023108800000000 ] - [ -0.0008748400000000, 0.0012686800000000, 0.0019717000000000 ] - [ 0.0008605000000000, -0.0008459900000000, 0.0002079700000000 ] - [ 0.0487100600000000, -0.0038627400000000, -0.0178602300000000 ] - [ -0.0020283400000000, -0.0033005500000000, -0.0034420900000000 ] - [ 0.0009076200000000, 0.0011616200000000, 0.0005900100000000 ] - [ -0.0008717800000000, 0.0000275000000000, -0.0004070500000000 ] - [ -0.0006888000000000, 0.0002889900000000, -0.0000734000000000 ] - [ -0.0004158400000000, 0.0000085900000000, -0.0004704500000000 ] - [ 0.0035387000000000, -0.0030101800000000, -0.0043324500000000 ] - [ 0.0000511100000000, 0.0001008200000000, 0.0000428800000000 ] - [ -0.0004431900000000, -0.0027288000000000, 0.0006415600000000 ] - [ -0.0030885200000000, 0.0002403300000000, 0.0001715900000000 ] - [ -0.0007342500000000, 0.0005033600000000, -0.0002479600000000 ] - [ -0.0012631300000000, 0.0087169700000000, -0.0046625000000000 ] - [ -0.0000687300000000, -0.0007229000000000, -0.0003042800000000 ] - [ 0.0006571000000000, -0.0003043900000000, -0.0002501700000000 ] - [ 0.0238848000000000, -0.0046412700000000, 0.0161772900000000 ] - [ 0.0001268800000000, 0.0004671700000000, 0.0003382700000000 ] - [ -0.0005051100000000, -0.0013429800000000, -0.0001428700000000 ] - [ 0.0007246500000000, -0.0007966900000000, 0.0001426500000000 ] - [ -0.0007806400000000, -0.0001379100000000, -0.0003855400000000 ] - [ -0.0050007600000000, 0.0071761500000000, 0.0046694700000000 ] - [ -0.0003159100000000, -0.0002528800000000, -0.0014513700000000 ] - [ -0.0001144100000000, 0.0000807400000000, 0.0003757700000000 ] - [ -0.0021480200000000, -0.0006426500000000, -0.0011037100000000 ] - [ 0.0211061100000000, 0.0063032800000000, -0.0008529100000000 ] - [ -0.0011040500000000, -0.0000438100000000, -0.0001226400000000 ] - [ 0.0060059400000000, 0.0028606500000000, -0.0006106300000000 ] - [ 0.0009119600000000, -0.0014663500000000, -0.0011451600000000 ] - [ -0.0008619900000000, 0.0000974300000000, 0.0004332900000000 ] - [ 0.0028335800000000, -0.0052517500000000, 0.0016825700000000 ] - [ -0.0020223700000000, 0.0002470700000000, 0.0018186700000000 ] - [ -0.0031821200000000, -0.0010163900000000, 0.0003675400000000 ] - [ 0.0028805300000000, 0.0003762000000000, -0.0000512100000000 ] - [ 0.0015006600000000, 0.0001971700000000, -0.0012594900000000 ] - [ -0.0022585800000000, -0.0002045000000000, -0.0006562800000000 ] - [ 0.0005155200000000, -0.0000338500000000, -0.0003653700000000 ] - [ -0.0014186400000000, -0.0003442600000000, 0.0000117900000000 ] - [ -0.0022619400000000, 0.0009373500000000, -0.0002474300000000 ] - [ 0.0012106900000000, 0.0002433200000000, -0.0005239300000000 ] - [ 0.0005969300000000, 0.0001234700000000, 0.0002277900000000 ] - [ -0.0008629300000000, -0.0001587200000000, 0.0000851200000000 ] - [ 0.0002427000000000, -0.0001791800000000, -0.0002231400000000 ] - [ 0.0009965900000000, -0.0004490300000000, -0.0001072200000000 ] - [ -0.0016622900000000, 0.0007901800000000, -0.0024423600000000 ] - [ 0.0005067100000000, -0.0004689900000000, 0.0002106100000000 ] - [ -0.0115934900000000, 0.0002818100000000, -0.0053390600000000 ] - [ -0.0003605100000000, 0.0009272000000000, -0.0005131300000000 ] - [ 0.0009386300000000, 0.0016120100000000, 0.0007862600000000 ] - [ -0.0013178500000000, 0.0000612600000000, -0.0002082700000000 ] - [ -0.0002417200000000, 0.0002546300000000, 0.0001245200000000 ] - [ -0.0004554600000000, -0.0004428700000000, -0.0002693400000000 ] - [ -0.0009152200000000, 0.0008136100000000, 0.0017714200000000 ] - [ 0.0013152900000000, -0.0008819000000000, 0.0000072900000000 ] - [ 0.0442224600000000, -0.0028736500000000, -0.0162348800000000 ] - [ -0.0020075200000000, -0.0028508300000000, -0.0036239300000000 ] - [ -0.0013740400000000, -0.0001016800000000, 0.0005033800000000 ] - [ -0.0006562700000000, 0.0080360500000000, -0.0038896500000000 ] - [ -0.0006757900000000, -0.0000837200000000, 0.0004475700000000 ] - [ 0.0012996800000000, 0.0002993300000000, 0.0005021300000000 ] - [ 0.0041700000000000, -0.0023839000000000, -0.0050546500000000 ] - [ -0.0005562100000000, 0.0007402000000000, -0.0007091300000000 ] - [ 0.0001462400000000, -0.0033558900000000, -0.0001042900000000 ] - [ -0.0037278500000000, -0.0003634800000000, -0.0005730900000000 ] - [ -0.0005058900000000, 0.0002111500000000, -0.0001378800000000 ] - [ -0.0053629600000000, 0.0074642700000000, 0.0049117800000000 ] - [ 0.0000259500000000, -0.0005252800000000, -0.0011978600000000 ] - [ -0.0020826100000000, -0.0002835000000000, 0.0014786300000000 ] - [ 0.0235447000000000, -0.0050607700000000, 0.0161294900000000 ] - [ 0.0004741000000000, 0.0001920900000000, 0.0000897300000000 ] - [ -0.0008582700000000, -0.0010614800000000, -0.0003917700000000 ] - [ -0.0054048700000000, -0.0019646900000000, 0.0044496800000000 ] - [ 0.0060255400000000, -0.0015773300000000, -0.0018056500000000 ] - [ 0.0003739500000000, 0.0006656100000000, 0.0012334000000000 ] - [ 0.0303227600000000, -0.0272529500000000, 0.0106028200000000 ] - [ 0.0009565100000000, -0.0004643100000000, 0.0010675800000000 ] - [ -0.0021375300000000, -0.0006767900000000, -0.0011128800000000 ] - [ 0.0008358800000000, 0.0018378100000000, 0.0000507600000000 ] - [ -0.0001966000000000, -0.0000330800000000, -0.0007431000000000 ] - [ 0.0061849600000000, 0.0037468300000000, 0.0152748300000000 ] - [ -0.0080468900000000, 0.0031476800000000, 0.0059643700000000 ] - [ 0.0022238800000000, 0.0003870400000000, -0.0001365700000000 ] - [ 0.0032783400000000, 0.0003401800000000, -0.0003199600000000 ] - [ -0.0017138400000000, 0.0001656000000000, 0.0008089800000000 ] - [ -0.2248063000000000, 0.0124632800000000, -0.0072856700000000 ] - [ -0.0019488000000000, -0.0034721000000000, -0.0052107500000000 ] - [ 0.0018444600000000, 0.0034763400000000, 0.0023097200000000 ] - [ 0.0024361700000000, -0.0004049900000000, -0.0010448700000000 ] - [ -0.0009712800000000, -0.0001207700000000, 0.0004128500000000 ] - [ 0.0002850600000000, 0.0029918100000000, 0.0015715900000000 ] - [ 0.0003610800000000, -0.0011931600000000, 0.0007842300000000 ] - [ 0.0049709200000000, 0.0031592600000000, 0.0168671800000000 ] - [ 0.0048671800000000, -0.0021266000000000, -0.0033235000000000 ] - [ 0.0009361800000000, -0.0004933500000000, -0.0002933400000000 ] - [ 0.0294650200000000, -0.0259259500000000, 0.0091612200000000 ] - [ 0.0021158400000000, 0.0000904800000000, -0.0004559600000000 ] - [ 0.0022222700000000, 0.0003898300000000, -0.0001316100000000 ] - [ -0.0079876100000000, 0.0031160600000000, 0.0059355500000000 ] - [ -0.0017130000000000, 0.0001710900000000, 0.0008086800000000 ] - [ 0.0032772800000000, 0.0003305100000000, -0.0003096500000000 ] - [ 0.0010384600000000, -0.0003239700000000, 0.0002147800000000 ] - [ -0.0019394300000000, -0.0034651800000000, -0.0052019300000000 ] - [ 0.0018621100000000, 0.0034604300000000, 0.0023064700000000 ] - [ -0.0009325000000000, 0.0034340100000000, -0.0011414700000000 ] - [ -0.0016571700000000, -0.0006174300000000, 0.0016668800000000 ] - [ 0.0010492600000000, -0.0015236700000000, 0.0024014300000000 ] - [ -0.0001894900000000, 0.0018188500000000, -0.0015073100000000 ] - [ 0.0078353800000000, 0.0012629900000000, -0.0009383400000000 ] - [ -0.0065504400000000, -0.0021789100000000, -0.0035283200000000 ] - [ 0.0031904200000000, -0.0002843700000000, -0.0004195900000000 ] - [ 0.0011791000000000, 0.0001154100000000, 0.0006078900000000 ] - [ -0.0016106100000000, 0.0006913100000000, 0.0008483000000000 ] - [ 0.0033922100000000, -0.0002218100000000, 0.0023998000000000 ] - [ 0.0142881300000000, 0.0132337900000000, 0.0014884300000000 ] - [ -0.0002538600000000, -0.0029048200000000, -0.0006274900000000 ] - [ -0.0061674500000000, 0.0035215000000000, -0.0137038800000000 ] - [ -0.0006696700000000, 0.0005808200000000, 0.0004926200000000 ] - [ -0.0006212500000000, 0.0002633500000000, 0.0003793300000000 ] - [ 0.0004869800000000, -0.0003781500000000, 0.0003728900000000 ] - [ 0.0007211600000000, -0.0007767500000000, -0.0000782200000000 ] - [ 0.0013239300000000, -0.0004564000000000, -0.0000886300000000 ] - [ 0.0010527900000000, -0.0015246800000000, 0.0023868800000000 ] - [ -0.0001846100000000, 0.0018145800000000, -0.0015019400000000 ] - [ -0.0005773400000000, -0.0000792700000000, 0.0001307500000000 ] - [ 0.0011794800000000, 0.0001137100000000, -0.0003063200000000 ] - [ -0.0016146900000000, 0.0006958600000000, -0.0000664500000000 ] - [ -0.0065578200000000, -0.0021389300000000, -0.0026351900000000 ] - [ 0.0031909200000000, -0.0002900600000000, 0.0004922600000000 ] - [ -0.0006555600000000, -0.0005296200000000, 0.0001306200000000 ] - [ 0.0004953800000000, 0.0002735200000000, 0.0000173300000000 ] - [ -0.0006312900000000, -0.0003878100000000, 0.0000069500000000 ] - [ 0.0007130100000000, 0.0003369300000000, -0.0004391200000000 ] - [ 0.0033841700000000, 0.0008935900000000, 0.0027480700000000 ] - [ 0.0130416600000000, 0.0131092100000000, 0.0018453600000000 ] - [ 0.0008581200000000, -0.0029077300000000, -0.0002721000000000 ] - [ -0.0061291000000000, 0.0023995300000000, -0.0132777200000000 ]- atom: 109 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0059795800000000, -0.0055528000000000, -0.0096918100000000 ] - [ 0.0002571900000000, -0.0004865000000000, -0.0006463500000000 ] - [ 0.0028140900000000, -0.0154217800000000, 0.0019197800000000 ] - [ 0.0007105600000000, 0.0000814000000000, -0.0007559000000000 ] - [ -0.0002191800000000, 0.0004163900000000, 0.0000716500000000 ] - [ 0.0110582400000000, 0.0347046300000000, 0.0014199300000000 ] - [ 0.0004354700000000, 0.0004173100000000, 0.0000920500000000 ] - [ 0.0083250100000000, -0.0021275700000000, -0.0081141200000000 ] - [ -0.0000388000000000, -0.0007135200000000, 0.0001971300000000 ] - [ -0.0002896100000000, -0.0001769200000000, 0.0002495100000000 ] - [ 0.0008829600000000, -0.0000925200000000, 0.0001700900000000 ] - [ -0.0002153700000000, 0.0005114300000000, 0.0006076900000000 ] - [ -0.0004275100000000, 0.0004958900000000, 0.0001279600000000 ] - [ -0.0006436200000000, -0.0002674100000000, 0.0028109900000000 ] - [ 0.0000610200000000, -0.0009513800000000, 0.0013632900000000 ] - [ 0.0007589300000000, -0.0004657600000000, 0.0001237100000000 ] - [ 0.0009864900000000, 0.0022249500000000, -0.0007887100000000 ] - [ -0.0001947500000000, 0.0013923200000000, 0.0000452600000000 ] - [ 0.0029728900000000, 0.0016650300000000, 0.0011579200000000 ] - [ 0.0006062500000000, 0.0007421800000000, -0.0003971500000000 ] - [ 0.0000749800000000, -0.0015990900000000, 0.0003461600000000 ] - [ -0.0009008700000000, -0.0025550000000000, 0.0002733600000000 ] - [ -0.0001385900000000, -0.0007408500000000, -0.0002287100000000 ] - [ 0.0028680700000000, 0.0008948100000000, 0.0026090100000000 ] - [ 0.0014040300000000, 0.0018360400000000, -0.0005453600000000 ] - [ -0.0001515900000000, -0.0039936900000000, 0.0005330200000000 ] - [ -0.0052019800000000, 0.0209163000000000, 0.0002350900000000 ] - [ -0.0005018900000000, 0.0054340600000000, -0.0017913800000000 ] - [ 0.0006265400000000, -0.0027625000000000, -0.0004698400000000 ] - [ 0.0002763200000000, 0.0007701500000000, 0.0000220100000000 ] - [ 0.0000859400000000, -0.0006790600000000, -0.0002016400000000 ] - [ -0.0014163200000000, -0.0014820300000000, -0.0006666500000000 ] - [ -0.0023985500000000, 0.0049916700000000, 0.0044795600000000 ] - [ 0.0006633000000000, -0.0007021000000000, 0.0002833600000000 ] - [ -0.0055381600000000, -0.0038532800000000, 0.0024278800000000 ] - [ 0.0007977600000000, 0.0010101100000000, 0.0003715000000000 ] - [ 0.0002245600000000, -0.0004480200000000, -0.0004180600000000 ] - [ 0.0048291300000000, -0.0012925500000000, 0.0007791100000000 ] - [ 0.0000251100000000, -0.0000658600000000, -0.0004679100000000 ] - [ 0.0003231100000000, -0.0023389800000000, -0.0005007700000000 ] - [ -0.0038222300000000, 0.0283081100000000, -0.0176967300000000 ] - [ 0.0008336400000000, -0.0011164900000000, -0.0016721400000000 ] - [ -0.0013631400000000, -0.0006784700000000, -0.0006282200000000 ] - [ -0.0007414700000000, -0.0043135300000000, 0.0007674500000000 ] - [ -0.0001882000000000, -0.0007768400000000, -0.0002346200000000 ] - [ 0.0015660100000000, 0.0000433200000000, -0.0008049000000000 ] - [ -0.0008853700000000, 0.0012370000000000, -0.0015364100000000 ] - [ -0.0001566000000000, -0.0016705600000000, 0.0002363200000000 ] - [ -0.0002924500000000, -0.0000474100000000, -0.0006415100000000 ] - [ 0.0104909900000000, 0.0306409200000000, -0.0004203500000000 ] - [ -0.0000259600000000, 0.0004968900000000, -0.0006221500000000 ] - [ 0.0084533500000000, -0.0016771300000000, -0.0088716600000000 ] - [ -0.0058997200000000, -0.0050899400000000, -0.0089894400000000 ] - [ -0.0002030000000000, -0.0004119800000000, 0.0000675700000000 ] - [ 0.0032528500000000, -0.0154900800000000, 0.0026163700000000 ] - [ 0.0006348700000000, -0.0003769000000000, -0.0000404800000000 ] - [ -0.0000408300000000, 0.0007167400000000, -0.0000480300000000 ] - [ -0.0008723300000000, 0.0001027000000000, 0.0026261800000000 ] - [ 0.0002874500000000, -0.0013395200000000, 0.0011792700000000 ] - [ 0.0003722200000000, -0.0006971500000000, -0.0000532100000000 ] - [ -0.0004227000000000, -0.0009442400000000, 0.0003727000000000 ] - [ -0.0000604300000000, -0.0005643400000000, 0.0004260800000000 ] - [ 0.0006553500000000, 0.0002856100000000, 0.0003461500000000 ] - [ 0.0001672000000000, 0.0007324100000000, 0.0007820600000000 ] - [ 0.0005605200000000, -0.0016287300000000, 0.0000872600000000 ] - [ -0.0009428500000000, -0.0018412100000000, 0.0001286300000000 ] - [ -0.0000916700000000, -0.0014534100000000, -0.0003741100000000 ] - [ -0.0004620400000000, -0.0039606800000000, 0.0005102400000000 ] - [ 0.0021854200000000, 0.0008405200000000, 0.0024871100000000 ] - [ -0.0001526600000000, 0.0006747500000000, 0.0001928300000000 ] - [ 0.0028901300000000, 0.0023788600000000, 0.0012788900000000 ] - [ 0.0007861100000000, -0.0015548900000000, 0.0004913800000000 ] - [ 0.0006678100000000, -0.0023112800000000, -0.0002722200000000 ] - [ -0.0001738100000000, 0.0008073800000000, 0.0002229600000000 ] - [ 0.0005378000000000, -0.0007127700000000, -0.0000044000000000 ] - [ -0.0014483200000000, -0.0019321700000000, -0.0004648300000000 ] - [ 0.0013723500000000, 0.0013932400000000, -0.0007399200000000 ] - [ 0.0002903800000000, -0.0040285700000000, 0.0003330700000000 ] - [ -0.0053959400000000, 0.0209127800000000, -0.0000579700000000 ] - [ -0.0004655900000000, 0.0058542400000000, -0.0019805400000000 ] - [ -0.0004169900000000, -0.0010512000000000, 0.0003351600000000 ] - [ 0.0054717900000000, -0.0019160100000000, 0.0015272300000000 ] - [ -0.0005781600000000, 0.0005720900000000, 0.0002855200000000 ] - [ 0.0009635600000000, -0.0017329500000000, 0.0002564400000000 ] - [ -0.0017660500000000, 0.0056244100000000, 0.0037502900000000 ] - [ 0.0000601200000000, -0.0000589400000000, -0.0004720400000000 ] - [ -0.0049070400000000, -0.0044733300000000, 0.0016830600000000 ] - [ 0.0001565800000000, 0.0004032700000000, -0.0003855900000000 ] - [ 0.0000853800000000, -0.0004284000000000, 0.0000127300000000 ] - [ 0.0012057400000000, 0.0003511100000000, -0.0005447200000000 ] - [ -0.0005379100000000, 0.0009583600000000, -0.0012833300000000 ] - [ 0.0003306900000000, 0.0003931300000000, -0.0001454300000000 ] - [ -0.0040680000000000, 0.0281434900000000, -0.0178039600000000 ] - [ 0.0011902500000000, -0.0013951100000000, -0.0019299300000000 ] - [ -0.0017079400000000, -0.0004052700000000, -0.0008767300000000 ] - [ 0.0002625200000000, 0.0021699400000000, -0.0006342800000000 ] - [ -0.0004420200000000, -0.0011392800000000, 0.0006924500000000 ] - [ 0.0001430800000000, -0.0009215400000000, 0.0012610900000000 ] - [ -0.0143194200000000, 0.0006359800000000, 0.0030344100000000 ] - [ -0.0003222300000000, 0.0016267500000000, 0.0004038600000000 ] - [ -0.0007591000000000, 0.0033076100000000, -0.0007595900000000 ] - [ 0.0026298100000000, 0.0052660700000000, 0.0007733100000000 ] - [ -0.0007187700000000, 0.0021637800000000, -0.0000208700000000 ] - [ -0.0033757500000000, -0.0124768300000000, -0.0037537400000000 ] - [ -0.0105333400000000, 0.0305022100000000, 0.0249681900000000 ] - [ -0.0002068200000000, -0.0000427000000000, 0.0006060200000000 ] - [ -0.0003482100000000, 0.0001522500000000, -0.0001668300000000 ] - [ -0.0005941800000000, 0.0007033800000000, -0.0021775900000000 ] - [ 0.0124147500000000, -0.1937619600000000, 0.0263920000000000 ] - [ -0.0062915800000000, 0.0018568600000000, 0.0020951900000000 ] - [ 0.0063208900000000, -0.0019479900000000, 0.0026309700000000 ] - [ -0.0004054500000000, -0.0008276800000000, 0.0004430700000000 ] - [ 0.0003916200000000, 0.0038629200000000, 0.0007777100000000 ] - [ 0.0020628300000000, 0.0064182500000000, 0.0022917600000000 ] - [ -0.0001671400000000, 0.0010023700000000, 0.0015114200000000 ] - [ -0.0045665900000000, -0.0131039100000000, -0.0022630100000000 ] - [ -0.0015971500000000, -0.0016975200000000, -0.0008425500000000 ] - [ 0.0006978900000000, -0.0020732900000000, -0.0002680000000000 ] - [ -0.0149257100000000, 0.0016916800000000, 0.0015492400000000 ] - [ 0.0008415400000000, 0.0021824000000000, -0.0011235100000000 ] - [ -0.0002065600000000, -0.0000452300000000, 0.0006067400000000 ] - [ -0.0104645100000000, 0.0307957300000000, 0.0250749300000000 ] - [ -0.0005914600000000, 0.0007100400000000, -0.0021700900000000 ] - [ -0.0003473800000000, 0.0001590800000000, -0.0001667500000000 ] - [ -0.0003237900000000, 0.0009806800000000, 0.0004405100000000 ] - [ -0.0063368100000000, 0.0018508000000000, 0.0020921000000000 ] - [ 0.0063070400000000, -0.0019390200000000, 0.0026220400000000 ] - [ 0.0034333200000000, 0.0169081400000000, -0.0037010400000000 ] - [ 0.0003802900000000, -0.0008851300000000, -0.0009587200000000 ] - [ -0.0013185500000000, 0.0010459400000000, -0.0017122600000000 ] - [ 0.0015584600000000, -0.0002469000000000, -0.0016437800000000 ] - [ -0.0013304200000000, -0.0014309000000000, 0.0002489900000000 ] - [ -0.0012123500000000, 0.0142593700000000, -0.0153697000000000 ] - [ -0.0001130400000000, 0.0000205400000000, -0.0002682600000000 ] - [ -0.0002244000000000, 0.0000050700000000, 0.0002169200000000 ] - [ 0.0001955100000000, -0.0007535800000000, 0.0035735400000000 ] - [ -0.0006479400000000, -0.0021930200000000, -0.0004286300000000 ] - [ 0.0103522900000000, -0.0053747200000000, -0.0026773400000000 ] - [ -0.0028041200000000, 0.0031500700000000, -0.0002754300000000 ] - [ 0.0029556000000000, -0.0047415700000000, 0.0013530000000000 ] - [ 0.0001754800000000, 0.0037802800000000, 0.0004581000000000 ] - [ -0.0002417200000000, 0.0007337100000000, 0.0005208400000000 ] - [ 0.0002882400000000, -0.0006123300000000, -0.0000939200000000 ] - [ -0.0001433500000000, 0.0005801700000000, 0.0000170400000000 ] - [ 0.0003685100000000, 0.0011557600000000, 0.0000399100000000 ] - [ -0.0013224600000000, 0.0010364700000000, -0.0017201300000000 ] - [ 0.0015515500000000, -0.0002398800000000, -0.0016379800000000 ] - [ 0.0001218800000000, 0.0014436300000000, 0.0005872000000000 ] - [ -0.0002239100000000, 0.0000076200000000, -0.0007006300000000 ] - [ 0.0001889300000000, -0.0007463000000000, 0.0026451800000000 ] - [ -0.0012018300000000, 0.0141041400000000, -0.0143091000000000 ] - [ -0.0001162700000000, 0.0000255800000000, 0.0006490700000000 ] - [ 0.0001819300000000, 0.0026658300000000, 0.0000919100000000 ] - [ 0.0008704800000000, 0.0007464900000000, 0.0001588200000000 ] - [ -0.0008251200000000, -0.0006173200000000, -0.0004602000000000 ] - [ -0.0001564000000000, 0.0016948300000000, -0.0003436500000000 ] - [ -0.0006554200000000, -0.0010756800000000, -0.0000622300000000 ] - [ 0.0091925200000000, -0.0053408600000000, -0.0023059400000000 ] - [ -0.0016818400000000, 0.0031580100000000, 0.0000837400000000 ] - [ 0.0029853900000000, -0.0058525700000000, 0.0016644100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006714900000000, -0.0017371000000000, -0.0006183500000000 ] - [ 0.0001879300000000, -0.0003894100000000, -0.0010937700000000 ] - [ 0.0009236400000000, -0.0045687900000000, 0.0015826600000000 ] - [ 0.0003049300000000, -0.0001175200000000, -0.0009386300000000 ] - [ -0.0014662500000000, -0.0004696600000000, -0.0006039900000000 ] - [ 0.0002341000000000, 0.0020123700000000, 0.0195101600000000 ] - [ -0.0000135100000000, 0.0001832500000000, -0.0006411400000000 ] - [ 0.0017605400000000, -0.0031187100000000, -0.0013072900000000 ] - [ 0.0004234300000000, 0.0007972100000000, -0.0020416900000000 ] - [ -0.0001224300000000, 0.0004423700000000, 0.0000792100000000 ] - [ -0.0006315500000000, 0.0002798100000000, 0.0007290900000000 ] - [ 0.0001495900000000, -0.0000922500000000, -0.0033935400000000 ] - [ 0.0000772700000000, 0.0000981300000000, 0.0009362100000000 ] - [ 0.0017738000000000, 0.0040359900000000, -0.0035221300000000 ] - [ -0.0009293900000000, 0.0017856100000000, -0.0009341500000000 ] - [ 0.0002239100000000, 0.0001161100000000, 0.0008612100000000 ] - [ 0.0028701900000000, 0.0006654200000000, -0.0010803300000000 ] - [ 0.0008043100000000, 0.0006953900000000, -0.0030956600000000 ] - [ 0.0051876300000000, 0.0005447300000000, 0.0059929100000000 ] - [ 0.0005555900000000, 0.0003368800000000, -0.0015858200000000 ] - [ -0.0005992000000000, -0.0000246700000000, 0.0001099800000000 ] - [ -0.0001482900000000, -0.0009036800000000, 0.0007631300000000 ] - [ -0.0001378100000000, 0.0003635000000000, -0.0007273000000000 ] - [ -0.0082292900000000, 0.0033168100000000, -0.0073314500000000 ] - [ 0.0012824800000000, -0.0001459000000000, -0.0009879800000000 ] - [ -0.0001544500000000, -0.0006643300000000, 0.0009598100000000 ] - [ -0.0133679100000000, -0.0011323500000000, 0.0294640600000000 ] - [ -0.0070553800000000, -0.0073070500000000, -0.0013641200000000 ] - [ 0.0002933700000000, -0.0014524700000000, 0.0000097200000000 ] - [ -0.0003236400000000, -0.0005077000000000, -0.0018733900000000 ] - [ -0.0002228600000000, -0.0000061600000000, -0.0006601900000000 ] - [ -0.0003899700000000, -0.0004158700000000, -0.0003872600000000 ] - [ 0.0013933600000000, -0.0056056000000000, -0.0113506200000000 ] - [ 0.0000776000000000, 0.0005309200000000, -0.0008349300000000 ] - [ -0.0014075700000000, 0.0003081000000000, 0.0028519500000000 ] - [ 0.0011234700000000, 0.0003927800000000, 0.0008621900000000 ] - [ 0.0001292900000000, 0.0000400200000000, -0.0001901000000000 ] - [ -0.0021489800000000, 0.0006262200000000, 0.0051906600000000 ] - [ 0.0004386800000000, -0.0004978600000000, -0.0018513300000000 ] - [ -0.0002102600000000, -0.0007814800000000, -0.0008661100000000 ] - [ 0.0154379700000000, -0.0194296500000000, 0.0595240700000000 ] - [ 0.0003437100000000, -0.0006590600000000, -0.0016241700000000 ] - [ -0.0002045400000000, -0.0017262000000000, 0.0018915600000000 ] - [ -0.0002836700000000, -0.0006279100000000, 0.0008672900000000 ] - [ -0.0003902700000000, -0.0002569700000000, -0.0005872300000000 ] - [ 0.0024790900000000, -0.0028128000000000, 0.0002988000000000 ] - [ -0.0010091400000000, -0.0002851500000000, -0.0027129700000000 ] - [ -0.0000468600000000, 0.0000594700000000, -0.0001319400000000 ] - [ -0.0015378800000000, -0.0009259600000000, -0.0013167800000000 ] - [ 0.0007177100000000, 0.0020556900000000, 0.0187787500000000 ] - [ -0.0004745500000000, 0.0002588900000000, -0.0013541400000000 ] - [ 0.0018284500000000, -0.0026688200000000, -0.0020017300000000 ] - [ -0.0006109700000000, -0.0012852100000000, 0.0000589200000000 ] - [ -0.0002729700000000, -0.0003129800000000, -0.0003805200000000 ] - [ 0.0013691700000000, -0.0045997400000000, 0.0022858500000000 ] - [ 0.0002256800000000, -0.0005802600000000, -0.0002206900000000 ] - [ 0.0004608600000000, 0.0003266100000000, 0.0007602600000000 ] - [ 0.0015431600000000, 0.0044451100000000, -0.0037110300000000 ] - [ -0.0007076900000000, 0.0014063700000000, -0.0011056100000000 ] - [ -0.0001590700000000, -0.0001113400000000, 0.0006855100000000 ] - [ 0.0000397800000000, 0.0005752600000000, -0.0018684200000000 ] - [ 0.0001059900000000, 0.0000591500000000, 0.0002580000000000 ] - [ -0.0008593900000000, 0.0006641800000000, 0.0009082200000000 ] - [ 0.0005306400000000, 0.0001449300000000, -0.0032148900000000 ] - [ 0.0006666700000000, 0.0001049600000000, -0.0002758500000000 ] - [ -0.0001939800000000, -0.0001898600000000, 0.0006162900000000 ] - [ -0.0000922200000000, -0.0003502500000000, -0.0008742000000000 ] - [ -0.0000101000000000, -0.0002763000000000, 0.0006255000000000 ] - [ -0.0089182800000000, 0.0032793100000000, -0.0074596800000000 ] - [ 0.0008587500000000, -0.0000156200000000, -0.0029541900000000 ] - [ 0.0051340500000000, 0.0012565500000000, 0.0061212700000000 ] - [ 0.0001148400000000, 0.0000192600000000, 0.0002593200000000 ] - [ 0.0003277100000000, -0.0010020000000000, 0.0002116700000000 ] - [ -0.0007777000000000, -0.0004715200000000, -0.0016726800000000 ] - [ 0.0002247700000000, -0.0000396500000000, -0.0004606300000000 ] - [ -0.0004241700000000, -0.0008648900000000, -0.0001922800000000 ] - [ 0.0012532500000000, -0.0006023500000000, -0.0011812500000000 ] - [ 0.0003026100000000, -0.0007017800000000, 0.0007626100000000 ] - [ -0.0142700900000000, -0.0010347500000000, 0.0292889700000000 ] - [ -0.0069925500000000, -0.0068179900000000, -0.0015538900000000 ] - [ -0.0005100800000000, -0.0005652600000000, 0.0005633700000000 ] - [ -0.0015392400000000, -0.0000203100000000, 0.0059228400000000 ] - [ -0.0001620000000000, 0.0001453000000000, -0.0010972300000000 ] - [ 0.0004290700000000, -0.0001764000000000, -0.0001180200000000 ] - [ 0.0020178400000000, -0.0049983600000000, -0.0121400800000000 ] - [ -0.0005270400000000, 0.0011678800000000, -0.0015874400000000 ] - [ -0.0008089800000000, -0.0003373700000000, 0.0021100000000000 ] - [ 0.0004827700000000, -0.0002111500000000, 0.0001064400000000 ] - [ -0.0001133800000000, 0.0000919300000000, -0.0003325300000000 ] - [ 0.0021158900000000, -0.0025170100000000, 0.0005584900000000 ] - [ -0.0006583900000000, -0.0005501300000000, -0.0024658100000000 ] - [ 0.0002804700000000, -0.0000124900000000, -0.0013339300000000 ] - [ 0.0171381300000000, -0.0214537900000000, 0.0638998200000000 ] - [ 0.0006946200000000, -0.0009365300000000, -0.0018714400000000 ] - [ -0.0005567200000000, -0.0014458500000000, 0.0016375300000000 ] - [ 0.0021602800000000, 0.0006181900000000, -0.0009200600000000 ] - [ -0.0018608200000000, 0.0008034300000000, 0.0020419000000000 ] - [ -0.0001006200000000, 0.0003708800000000, 0.0040574900000000 ] - [ -0.0044413700000000, 0.0077320000000000, -0.0137549900000000 ] - [ -0.0000563400000000, 0.0001318500000000, 0.0009558100000000 ] - [ -0.0006435800000000, 0.0004583700000000, -0.0007605600000000 ] - [ 0.0000171600000000, 0.0003428500000000, -0.0025375700000000 ] - [ -0.0007066500000000, 0.0006369600000000, 0.0009841100000000 ] - [ 0.0229461500000000, 0.0140908300000000, 0.0303412200000000 ] - [ -0.0001233200000000, 0.0124346800000000, 0.0039967800000000 ] - [ 0.0003442100000000, 0.0002181200000000, 0.0016185900000000 ] - [ 0.0000264000000000, -0.0003227900000000, -0.0012205900000000 ] - [ 0.0014414200000000, -0.0020931300000000, 0.0048733500000000 ] - [ -0.0073633700000000, 0.0264568300000000, -0.2516871300000000 ] - [ -0.0026231200000000, 0.0023062500000000, 0.0022737200000000 ] - [ 0.0020898300000000, 0.0052251000000000, 0.0022670700000000 ] - [ 0.0010445000000000, -0.0004439600000000, 0.0024707500000000 ] - [ 0.0005178100000000, 0.0010147500000000, 0.0007599200000000 ] - [ -0.0005303700000000, 0.0015023500000000, -0.0010084000000000 ] - [ -0.0001490200000000, -0.0005222800000000, 0.0025115900000000 ] - [ 0.0219568700000000, 0.0134524200000000, 0.0321561600000000 ] - [ -0.0030248600000000, 0.0002506900000000, 0.0005118200000000 ] - [ 0.0004467400000000, -0.0007930700000000, 0.0025316900000000 ] - [ -0.0049662900000000, 0.0088755100000000, -0.0152413500000000 ] - [ 0.0011035500000000, 0.0006902000000000, -0.0005717100000000 ] - [ 0.0003467800000000, 0.0002217600000000, 0.0016167800000000 ] - [ -0.0000908900000000, 0.0124716900000000, 0.0039313100000000 ] - [ 0.0014529300000000, -0.0021062900000000, 0.0048772100000000 ] - [ 0.0000261000000000, -0.0003236000000000, -0.0012236700000000 ] - [ 0.0002153000000000, 0.0004407400000000, 0.0009403400000000 ] - [ -0.0026281800000000, 0.0023088000000000, 0.0022616400000000 ] - [ 0.0020978700000000, 0.0051884900000000, 0.0022668200000000 ] - [ 0.0011418100000000, 0.0036980400000000, -0.0027535000000000 ] - [ -0.0011937500000000, -0.0015711500000000, 0.0076525000000000 ] - [ 0.0017867300000000, -0.0028141800000000, -0.0004840000000000 ] - [ -0.0014787000000000, -0.0015257400000000, -0.0002099100000000 ] - [ -0.0015788700000000, -0.0005888700000000, -0.0007090100000000 ] - [ -0.0025920500000000, -0.0115732800000000, -0.0060292200000000 ] - [ -0.0003302900000000, 0.0003350100000000, -0.0012542400000000 ] - [ 0.0002118500000000, -0.0002215500000000, 0.0010769100000000 ] - [ -0.0003431400000000, 0.0028593500000000, 0.0035087700000000 ] - [ 0.0030790200000000, -0.0010423200000000, -0.0012116000000000 ] - [ 0.0005176400000000, -0.0042703600000000, -0.0065615300000000 ] - [ -0.0007830300000000, 0.0003936800000000, -0.0014794000000000 ] - [ -0.0119119300000000, 0.0004926300000000, 0.0133129200000000 ] - [ 0.0002742000000000, 0.0005288900000000, 0.0001694600000000 ] - [ -0.0007605800000000, 0.0001736900000000, 0.0012203000000000 ] - [ 0.0008163400000000, -0.0005040100000000, 0.0037615300000000 ] - [ -0.0002116000000000, -0.0002819400000000, 0.0001734900000000 ] - [ 0.0001648800000000, 0.0002117200000000, -0.0005270000000000 ] - [ 0.0017841900000000, -0.0028131000000000, -0.0004813200000000 ] - [ -0.0014853400000000, -0.0015317300000000, -0.0002166400000000 ] - [ 0.0000986100000000, -0.0002451900000000, 0.0011091700000000 ] - [ 0.0002108700000000, -0.0002231300000000, 0.0001575500000000 ] - [ -0.0003435600000000, 0.0028437500000000, 0.0025961000000000 ] - [ -0.0025971400000000, -0.0116326300000000, -0.0051485600000000 ] - [ -0.0003331000000000, 0.0003339900000000, -0.0003343000000000 ] - [ 0.0002853300000000, -0.0005801800000000, -0.0001873100000000 ] - [ 0.0003513200000000, 0.0001810800000000, 0.0008581300000000 ] - [ -0.0002909100000000, -0.0005183700000000, 0.0033973800000000 ] - [ -0.0002213100000000, 0.0008320300000000, -0.0001907000000000 ] - [ 0.0030626800000000, 0.0000775600000000, -0.0008478900000000 ] - [ -0.0005584300000000, -0.0042671900000000, -0.0061938500000000 ] - [ 0.0003267300000000, 0.0004024800000000, -0.0011195900000000 ] - [ -0.0120201500000000, -0.0006177500000000, 0.0138035500000000 ]- atom: 129 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0010702500000000, -0.0005719700000000, 0.0004779500000000 ] - [ -0.0005976100000000, -0.0002119500000000, -0.0001106000000000 ] - [ 0.0001298300000000, 0.0000158800000000, -0.0001982200000000 ] - [ -0.0012132200000000, 0.0005820900000000, -0.0002457700000000 ] - [ -0.0014920600000000, -0.0000998300000000, 0.0005307700000000 ] - [ 0.0002808100000000, 0.0000606500000000, 0.0006461300000000 ] - [ -0.0016529900000000, 0.0002255100000000, 0.0001938200000000 ] - [ 0.0013855100000000, -0.0003347100000000, -0.0000895000000000 ] - [ 0.0031652800000000, 0.0018443500000000, -0.0004431400000000 ] - [ -0.0008372600000000, 0.0001187700000000, -0.0005407400000000 ] - [ -0.0008917700000000, 0.0001482100000000, 0.0002282500000000 ] - [ 0.0092236900000000, -0.0124247000000000, -0.0013798100000000 ] - [ -0.0007276400000000, -0.0002223200000000, 0.0000653200000000 ] - [ 0.0028537900000000, -0.0017351500000000, -0.0001072100000000 ] - [ 0.0007755800000000, 0.0009384200000000, 0.0013178500000000 ] - [ -0.0002032200000000, 0.0000828900000000, 0.0000492400000000 ] - [ -0.0006151900000000, -0.0004422900000000, -0.0013543100000000 ] - [ 0.0284600800000000, 0.0059896800000000, 0.0091532500000000 ] - [ -0.0002692500000000, -0.0002895800000000, 0.0001671600000000 ] - [ -0.0023470000000000, 0.0003784600000000, -0.0001251200000000 ] - [ -0.0005535500000000, -0.0000501800000000, 0.0001106300000000 ] - [ -0.0001278400000000, -0.0004675800000000, 0.0001093600000000 ] - [ 0.0002981600000000, 0.0008739500000000, 0.0000569700000000 ] - [ -0.0006284700000000, 0.0004986600000000, 0.0030572300000000 ] - [ -0.0013406000000000, 0.0017617400000000, -0.0022855300000000 ] - [ 0.0000295700000000, -0.0000995300000000, 0.0002134000000000 ] - [ 0.0008081000000000, -0.0000773100000000, 0.0000764300000000 ] - [ -0.0000755900000000, -0.0006989400000000, 0.0010155800000000 ] - [ 0.0001062400000000, -0.0001046400000000, -0.0003187500000000 ] - [ -0.0061063700000000, 0.0007159500000000, 0.0020383600000000 ] - [ -0.0008573500000000, 0.0001611800000000, -0.0001710300000000 ] - [ -0.0005454200000000, -0.0007605200000000, 0.0002882500000000 ] - [ 0.0038782800000000, 0.0000549900000000, -0.0023329900000000 ] - [ -0.0003997500000000, 0.0005846300000000, 0.0004092500000000 ] - [ -0.0001863000000000, 0.0001163400000000, 0.0002940700000000 ] - [ -0.0008960500000000, 0.0004648800000000, -0.0000156900000000 ] - [ -0.0001452700000000, 0.0002766000000000, -0.0002657700000000 ] - [ -0.0001413000000000, 0.0005091300000000, -0.0000807200000000 ] - [ -0.0024023200000000, -0.0046162900000000, -0.0015553400000000 ] - [ 0.0001930900000000, -0.0001267200000000, -0.0004828400000000 ] - [ 0.0012471900000000, 0.0006461800000000, 0.0015034700000000 ] - [ -0.0004399900000000, 0.0011506900000000, -0.0004309200000000 ] - [ 0.0000615000000000, -0.0003935600000000, 0.0004083200000000 ] - [ 0.0002334000000000, -0.0001236000000000, 0.0000791700000000 ] - [ -0.0006995800000000, -0.0002695700000000, -0.0002188700000000 ] - [ 0.0000760400000000, 0.0001641600000000, -0.0006310600000000 ] - [ -0.0007966200000000, -0.0037554400000000, 0.0040832500000000 ] - [ -0.0000251800000000, -0.0003062200000000, -0.0000719900000000 ] - [ -0.0015704100000000, -0.0005572700000000, -0.0001882500000000 ] - [ 0.0007410400000000, -0.0000156400000000, -0.0000668500000000 ] - [ -0.0021128300000000, 0.0002945100000000, -0.0005174800000000 ] - [ 0.0014505800000000, 0.0001304500000000, -0.0008070400000000 ] - [ 0.0011391400000000, -0.0001162000000000, 0.0011907000000000 ] - [ -0.0010574400000000, -0.0001296300000000, 0.0006037100000000 ] - [ 0.0005906100000000, -0.0000573600000000, 0.0005142500000000 ] - [ -0.0012922700000000, 0.0001169700000000, 0.0004707100000000 ] - [ -0.0003445300000000, 0.0000063000000000, -0.0001097600000000 ] - [ 0.0026044000000000, -0.0013468600000000, -0.0002838600000000 ] - [ 0.0010062400000000, 0.0005461500000000, 0.0011237100000000 ] - [ -0.0005856700000000, -0.0001432400000000, -0.0001261000000000 ] - [ 0.0027592800000000, 0.0016025900000000, -0.0002658700000000 ] - [ -0.0006102100000000, -0.0002627400000000, -0.0003629300000000 ] - [ -0.0011185900000000, 0.0005341300000000, 0.0004064100000000 ] - [ 0.0095575300000000, -0.0124846200000000, -0.0012563800000000 ] - [ 0.0006853600000000, -0.0002632900000000, -0.0002200100000000 ] - [ -0.0001727900000000, 0.0002461300000000, -0.0000376500000000 ] - [ 0.0003348800000000, 0.0001590700000000, -0.0000909400000000 ] - [ 0.0005071900000000, 0.0002232900000000, -0.0001728400000000 ] - [ -0.0013280000000000, 0.0004543700000000, 0.0029338300000000 ] - [ 0.0266024400000000, 0.0047480700000000, 0.0087083500000000 ] - [ -0.0003158100000000, 0.0004241000000000, 0.0003130700000000 ] - [ 0.0001639900000000, -0.0000077000000000, 0.0002587300000000 ] - [ 0.0001375600000000, 0.0003465900000000, -0.0001210900000000 ] - [ -0.0065793400000000, 0.0007431100000000, 0.0022371900000000 ] - [ -0.0004094500000000, 0.0001265600000000, 0.0000272600000000 ] - [ -0.0005790400000000, -0.0012050400000000, 0.0004834100000000 ] - [ -0.0013693400000000, 0.0012997600000000, -0.0024638800000000 ] - [ 0.0004812000000000, -0.0001338500000000, 0.0000143100000000 ] - [ 0.0003532400000000, -0.0000425200000000, -0.0001217700000000 ] - [ -0.0000578000000000, -0.0002496100000000, 0.0008182800000000 ] - [ -0.0007840500000000, -0.0003291100000000, 0.0004876500000000 ] - [ 0.0004595900000000, -0.0001311300000000, 0.0006729400000000 ] - [ -0.0030009200000000, -0.0039673600000000, -0.0007986400000000 ] - [ 0.0008365500000000, 0.0004754500000000, 0.0002736800000000 ] - [ 0.0044809800000000, 0.0006302800000000, -0.0030404200000000 ] - [ -0.0010107900000000, 0.0012215900000000, -0.0003440300000000 ] - [ 0.0004158100000000, -0.0005234900000000, -0.0004585600000000 ] - [ -0.0015391100000000, -0.0001387200000000, -0.0007742100000000 ] - [ -0.0004247100000000, 0.0000801200000000, 0.0000314000000000 ] - [ -0.0002765900000000, 0.0004375800000000, -0.0003771700000000 ] - [ -0.0004449600000000, -0.0039981100000000, 0.0042953100000000 ] - [ -0.0026240500000000, 0.0000306400000000, 0.0001310500000000 ] - [ 0.0009746200000000, 0.0002895000000000, 0.0012342000000000 ] - [ -0.0001020000000000, 0.0008736600000000, -0.0006833000000000 ] - [ -0.0002904600000000, -0.0001190600000000, 0.0001590500000000 ] - [ -0.0013303600000000, -0.0004799700000000, -0.0011990900000000 ] - [ 0.0038364500000000, 0.0003822500000000, 0.0022788700000000 ] - [ 0.0135522800000000, 0.0117227800000000, -0.0056655200000000 ] - [ 0.0001191200000000, -0.0006102200000000, 0.0007106800000000 ] - [ 0.0002940900000000, -0.0000020900000000, 0.0005523300000000 ] - [ -0.0012645500000000, -0.0003534400000000, -0.0005728000000000 ] - [ 0.0002043300000000, -0.0002279900000000, -0.0009239400000000 ] - [ 0.0001000000000000, -0.0008123200000000, -0.0007856900000000 ] - [ 0.0001857100000000, 0.0014881600000000, -0.0072172300000000 ] - [ -0.0013033400000000, -0.0000040200000000, -0.0003493000000000 ] - [ 0.0019313400000000, 0.0000227400000000, 0.0000129400000000 ] - [ 0.0009755700000000, -0.0002106600000000, -0.0000746800000000 ] - [ -0.0065805800000000, -0.0016058200000000, -0.0037159700000000 ] - [ -0.0016565500000000, 0.0003801500000000, -0.0011933500000000 ] - [ -0.0002522800000000, -0.0018241300000000, 0.0015315600000000 ] - [ 0.0010371400000000, 0.0015252600000000, -0.0028259500000000 ] - [ 0.0078352300000000, -0.0013300300000000, 0.0015794800000000 ] - [ -0.0000997600000000, 0.0002008000000000, 0.0009553700000000 ] - [ -0.0003473000000000, 0.0009297300000000, 0.0006020200000000 ] - [ 0.0006648000000000, -0.0019705900000000, 0.0007381700000000 ] - [ -0.0010490000000000, 0.0009646700000000, -0.0056935800000000 ] - [ 0.0026728900000000, -0.0001780000000000, 0.0007420800000000 ] - [ 0.0139764500000000, 0.0104921800000000, -0.0072039700000000 ] - [ -0.0004278200000000, 0.0005505100000000, -0.0008166700000000 ] - [ 0.0014528700000000, 0.0005561400000000, -0.0009758400000000 ] - [ 0.0019310700000000, 0.0000327700000000, 0.0000066900000000 ] - [ -0.0013035400000000, -0.0000127700000000, -0.0003409200000000 ] - [ -0.0065366900000000, -0.0015580800000000, -0.0036660700000000 ] - [ 0.0009751200000000, -0.0002122200000000, -0.0000774000000000 ] - [ 0.0013217600000000, 0.0003686000000000, 0.0001656400000000 ] - [ -0.0002366200000000, -0.0018091700000000, 0.0015242000000000 ] - [ 0.0010432400000000, 0.0015220600000000, -0.0028004000000000 ] - [ -0.0005774800000000, 0.0001217700000000, -0.0000981400000000 ] - [ -0.1013494400000000, 0.0199153500000000, -0.0107951700000000 ] - [ 0.0005214100000000, -0.0011309200000000, -0.0007939000000000 ] - [ -0.0001632500000000, 0.0011304100000000, 0.0013194600000000 ] - [ 0.0007432700000000, 0.0000486600000000, 0.0001767400000000 ] - [ -0.0009156600000000, 0.0000248800000000, -0.0005290200000000 ] - [ 0.0006558400000000, -0.0000834800000000, -0.0005132900000000 ] - [ 0.0019409700000000, 0.0001707100000000, 0.0006525800000000 ] - [ -0.0037420100000000, 0.0001875500000000, 0.0024681300000000 ] - [ 0.0018364500000000, -0.0005409300000000, -0.0015268100000000 ] - [ 0.0005914500000000, 0.0002042300000000, -0.0001527300000000 ] - [ -0.0004938600000000, -0.0001768700000000, -0.0002401800000000 ] - [ -0.0023173700000000, -0.0004150800000000, 0.0087928300000000 ] - [ -0.0003783700000000, 0.0003908500000000, 0.0000671800000000 ] - [ -0.0012851100000000, 0.0014531700000000, 0.0002969500000000 ] - [ 0.0114071900000000, -0.0094088900000000, -0.0008723300000000 ] - [ 0.0003625600000000, -0.0004771000000000, 0.0003283800000000 ] - [ 0.0003203100000000, 0.0000461300000000, -0.0000697000000000 ] - [ 0.0005285600000000, -0.0011247400000000, -0.0007936800000000 ] - [ -0.0001572200000000, 0.0011249800000000, 0.0013145000000000 ] - [ -0.0004528200000000, -0.0006355400000000, 0.0001639700000000 ] - [ 0.0019378400000000, 0.0001668300000000, -0.0002663600000000 ] - [ -0.0037343200000000, 0.0002368400000000, 0.0015252100000000 ] - [ -0.0009140900000000, 0.0000267100000000, 0.0003897700000000 ] - [ 0.0006563800000000, -0.0000857800000000, 0.0004056600000000 ] - [ -0.0003634400000000, -0.0007256900000000, -0.0002954700000000 ] - [ -0.0001623900000000, 0.0014549200000000, -0.0000672800000000 ] - [ 0.0104155400000000, -0.0095513300000000, -0.0012527500000000 ] - [ 0.0003551300000000, 0.0006364100000000, -0.0000344400000000 ] - [ 0.0018270400000000, 0.0005718300000000, -0.0011553200000000 ] - [ -0.0005185500000000, 0.0001926400000000, 0.0002070600000000 ] - [ 0.0006172500000000, -0.0001673500000000, 0.0001215600000000 ] - [ -0.0022555400000000, -0.0015182500000000, 0.0091071300000000 ]- atom: 129 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003267300000000, -0.0007275300000000, 0.0005159900000000 ] - [ 0.0001925000000000, -0.0005515100000000, -0.0003573400000000 ] - [ -0.0001719300000000, -0.0007254300000000, -0.0001133100000000 ] - [ 0.0003408300000000, 0.0001974400000000, -0.0001183500000000 ] - [ -0.0006083700000000, 0.0001704000000000, 0.0005691000000000 ] - [ -0.0001749100000000, 0.0007002000000000, 0.0009145900000000 ] - [ 0.0002100500000000, 0.0004280500000000, 0.0003135900000000 ] - [ 0.0006116600000000, -0.0005904500000000, 0.0016571900000000 ] - [ -0.0031697100000000, -0.0053061500000000, -0.0001375000000000 ] - [ -0.0002504200000000, 0.0000304000000000, -0.0002693000000000 ] - [ 0.0001949400000000, -0.0000344600000000, -0.0002775900000000 ] - [ -0.0144789800000000, 0.0331719400000000, 0.0055849700000000 ] - [ -0.0002899700000000, 0.0000215700000000, 0.0000152000000000 ] - [ -0.0024815100000000, -0.0003852000000000, -0.0042708600000000 ] - [ 0.0010368500000000, -0.0026794300000000, -0.0036770100000000 ] - [ 0.0001936700000000, -0.0000522200000000, -0.0000036300000000 ] - [ -0.0003142600000000, 0.0008725200000000, -0.0002848900000000 ] - [ 0.0047375900000000, 0.0049036800000000, 0.0010016300000000 ] - [ 0.0000887000000000, 0.0001295800000000, -0.0000639800000000 ] - [ -0.0002535000000000, 0.0007203200000000, -0.0001695300000000 ] - [ 0.0001366600000000, -0.0007985200000000, -0.0001321700000000 ] - [ -0.0000717500000000, -0.0008066500000000, 0.0000704000000000 ] - [ -0.0000268900000000, -0.0015935500000000, 0.0002152600000000 ] - [ 0.0003512700000000, 0.0028289300000000, -0.0014275700000000 ] - [ 0.0006745100000000, 0.0017256200000000, 0.0001026100000000 ] - [ -0.0001287100000000, -0.0005825700000000, -0.0000190000000000 ] - [ 0.0002811700000000, 0.0004681400000000, 0.0005005800000000 ] - [ -0.0009249100000000, 0.0006248700000000, 0.0008478800000000 ] - [ 0.0000001100000000, -0.0012806700000000, 0.0002935900000000 ] - [ -0.0013496200000000, 0.0011016500000000, 0.0006059100000000 ] - [ 0.0002107800000000, -0.0009024100000000, -0.0000030700000000 ] - [ -0.0004595700000000, -0.0009436400000000, 0.0001415200000000 ] - [ -0.0000859000000000, 0.0067858600000000, -0.0077229800000000 ] - [ 0.0016971900000000, -0.0015055300000000, -0.0000354300000000 ] - [ -0.0006595200000000, -0.0001242000000000, -0.0001936800000000 ] - [ 0.0001582200000000, 0.0007333600000000, 0.0003806100000000 ] - [ 0.0003732400000000, -0.0000932500000000, -0.0003958100000000 ] - [ -0.0000549300000000, 0.0007128400000000, -0.0007407000000000 ] - [ -0.0006189700000000, -0.0004974200000000, -0.0007227400000000 ] - [ -0.0001613400000000, -0.0021349000000000, 0.0002096900000000 ] - [ 0.0003846100000000, 0.0020805600000000, 0.0021500300000000 ] - [ 0.0015803700000000, -0.0012198300000000, 0.0013231000000000 ] - [ -0.0000544100000000, -0.0003808100000000, 0.0002170200000000 ] - [ -0.0003834500000000, -0.0010514100000000, 0.0001127000000000 ] - [ -0.0000248700000000, -0.0007186400000000, -0.0001660700000000 ] - [ 0.0004478400000000, 0.0000008100000000, 0.0000045400000000 ] - [ -0.0020862200000000, -0.0006504500000000, 0.0012305800000000 ] - [ -0.0004891300000000, -0.0012357500000000, -0.0003369400000000 ] - [ -0.0006853100000000, -0.0002934500000000, -0.0001456700000000 ] - [ 0.0002851400000000, 0.0006162600000000, 0.0002012800000000 ] - [ -0.0002496300000000, 0.0005115900000000, -0.0004006400000000 ] - [ 0.0006873900000000, -0.0001204200000000, 0.0009509900000000 ] - [ -0.0002480300000000, -0.0002733100000000, 0.0012260300000000 ] - [ -0.0002684400000000, -0.0004750700000000, 0.0003573200000000 ] - [ 0.0002896300000000, -0.0007974600000000, 0.0005981400000000 ] - [ 0.0002633800000000, -0.0002605800000000, 0.0005967000000000 ] - [ 0.0000939500000000, 0.0002482900000000, -0.0001612600000000 ] - [ -0.0026906600000000, -0.0000053100000000, -0.0044147700000000 ] - [ 0.0012599300000000, -0.0030613400000000, -0.0038486200000000 ] - [ -0.0001905200000000, -0.0002819900000000, -0.0001805800000000 ] - [ -0.0035449900000000, -0.0055036300000000, 0.0000500700000000 ] - [ -0.0000207500000000, -0.0003559900000000, -0.0000923100000000 ] - [ -0.0000324900000000, 0.0003472900000000, -0.0001012800000000 ] - [ -0.0131745800000000, 0.0314202500000000, 0.0052787000000000 ] - [ 0.0002283000000000, -0.0011905000000000, -0.0004804200000000 ] - [ -0.0001134600000000, -0.0000931000000000, -0.0000765800000000 ] - [ 0.0000234900000000, -0.0023051100000000, 0.0000665200000000 ] - [ -0.0001065400000000, -0.0007031100000000, -0.0001361800000000 ] - [ -0.0003606800000000, 0.0027672500000000, -0.0015702000000000 ] - [ 0.0047921500000000, 0.0042699200000000, 0.0011695000000000 ] - [ 0.0000439200000000, 0.0008446800000000, 0.0000830500000000 ] - [ 0.0008498900000000, -0.0007557500000000, 0.0000173200000000 ] - [ 0.0000352100000000, -0.0008266500000000, 0.0004927900000000 ] - [ -0.0017821700000000, 0.0011333200000000, 0.0007936800000000 ] - [ 0.0006689000000000, -0.0009378500000000, 0.0001932300000000 ] - [ -0.0004914600000000, -0.0013960000000000, 0.0003377600000000 ] - [ 0.0006401500000000, 0.0012862900000000, -0.0000975700000000 ] - [ 0.0003177700000000, -0.0006151400000000, -0.0002180700000000 ] - [ -0.0001715500000000, 0.0005026000000000, 0.0003024000000000 ] - [ -0.0009051600000000, 0.0010683800000000, 0.0006541000000000 ] - [ -0.0002668700000000, -0.0006965800000000, 0.0003574600000000 ] - [ 0.0005508100000000, 0.0000788600000000, 0.0000092400000000 ] - [ -0.0012266200000000, 0.0001215900000000, 0.0000268000000000 ] - [ 0.0004722700000000, -0.0015267300000000, 0.0009511500000000 ] - [ 0.0005823700000000, 0.0073486100000000, -0.0086673800000000 ] - [ 0.0010990600000000, -0.0008651900000000, -0.0007914700000000 ] - [ -0.0000522200000000, -0.0007631200000000, -0.0009409600000000 ] - [ -0.0004791400000000, 0.0001270200000000, -0.0003693100000000 ] - [ 0.0002481700000000, -0.0003684800000000, 0.0000808500000000 ] - [ 0.0000981400000000, 0.0002785200000000, 0.0002526800000000 ] - [ -0.0017285900000000, -0.0009397800000000, 0.0014831400000000 ] - [ -0.0005305700000000, 0.0003700900000000, 0.0000791000000000 ] - [ 0.0001059200000000, 0.0017175800000000, 0.0018831000000000 ] - [ 0.0019416200000000, -0.0014980300000000, 0.0010805200000000 ] - [ -0.0004019900000000, -0.0001084000000000, -0.0000319200000000 ] - [ -0.0010273200000000, 0.0008240400000000, -0.0001417700000000 ] - [ 0.0007677200000000, -0.0011113000000000, 0.0006744500000000 ] - [ 0.0052881800000000, 0.0010990200000000, 0.0005630400000000 ] - [ 0.0001239800000000, -0.0014065900000000, 0.0006289900000000 ] - [ -0.0004888600000000, 0.0008246900000000, 0.0005364500000000 ] - [ -0.0007916800000000, 0.0015348400000000, -0.0009558600000000 ] - [ 0.0004325300000000, 0.0003705800000000, -0.0007038300000000 ] - [ -0.0014169900000000, 0.0034038400000000, -0.0004982000000000 ] - [ 0.0047630700000000, -0.0048962300000000, -0.0028027500000000 ] - [ 0.0002086900000000, 0.0005074100000000, -0.0015845300000000 ] - [ 0.0001097600000000, 0.0001187800000000, 0.0000770400000000 ] - [ 0.0000465500000000, 0.0000187800000000, 0.0002690200000000 ] - [ 0.0059104300000000, 0.0148127200000000, 0.0127929600000000 ] - [ -0.0006175100000000, -0.0008852300000000, -0.0015705800000000 ] - [ -0.0015515500000000, -0.0001814800000000, -0.0014767100000000 ] - [ 0.0013206800000000, 0.0010448500000000, -0.0017883600000000 ] - [ 0.0012628800000000, -0.0014310900000000, 0.0005886300000000 ] - [ 0.0003609200000000, 0.0020916600000000, 0.0005641800000000 ] - [ -0.0001268100000000, 0.0015311600000000, 0.0008235500000000 ] - [ -0.0008706900000000, 0.0022428100000000, 0.0010304000000000 ] - [ 0.0035588200000000, -0.0054265000000000, -0.0012354400000000 ] - [ -0.0003881400000000, -0.0016697600000000, -0.0008469300000000 ] - [ 0.0058534900000000, -0.0000023600000000, -0.0009947400000000 ] - [ -0.0004309900000000, -0.0002520300000000, -0.0008971100000000 ] - [ 0.0006738600000000, 0.0013813500000000, -0.0009921700000000 ] - [ 0.0001079200000000, 0.0001149300000000, 0.0000794500000000 ] - [ 0.0002134400000000, 0.0004946100000000, -0.0015853500000000 ] - [ 0.0059348300000000, 0.0146555400000000, 0.0126938800000000 ] - [ 0.0000463800000000, 0.0000217600000000, 0.0002688800000000 ] - [ -0.0004559500000000, 0.0011537600000000, 0.0002118800000000 ] - [ -0.0015586800000000, -0.0001944600000000, -0.0014857300000000 ] - [ 0.0013201000000000, 0.0010549700000000, -0.0017818200000000 ] - [ -0.0000789000000000, 0.0014414500000000, 0.0002445700000000 ] - [ 0.0199388600000000, -0.1095080900000000, 0.0072548300000000 ] - [ -0.0013819300000000, -0.0001572200000000, 0.0011655500000000 ] - [ 0.0013896700000000, 0.0005226500000000, 0.0006929100000000 ] - [ 0.0000487000000000, -0.0003571400000000, 0.0000078500000000 ] - [ -0.0002739100000000, -0.0001480300000000, 0.0013010700000000 ] - [ 0.0000644600000000, 0.0000241800000000, -0.0006329000000000 ] - [ -0.0000700900000000, -0.0000150800000000, 0.0006667800000000 ] - [ 0.0013155400000000, 0.0103305600000000, -0.0083578700000000 ] - [ 0.0000055100000000, -0.0013677500000000, -0.0003165400000000 ] - [ 0.0007346100000000, -0.0004375500000000, -0.0002879600000000 ] - [ -0.0007048900000000, 0.0003912900000000, -0.0001411100000000 ] - [ -0.0017082000000000, -0.0040486900000000, 0.0003800200000000 ] - [ -0.0001530400000000, 0.0025492700000000, 0.0002909700000000 ] - [ 0.0010327700000000, 0.0017343200000000, 0.0000281900000000 ] - [ -0.0091092700000000, -0.0028570000000000, -0.0008019000000000 ] - [ 0.0000660200000000, 0.0000530400000000, 0.0001150200000000 ] - [ 0.0000460600000000, 0.0003303500000000, 0.0000287900000000 ] - [ -0.0013868400000000, -0.0001627000000000, 0.0011691900000000 ] - [ 0.0013790300000000, 0.0005273300000000, 0.0006933400000000 ] - [ -0.0006357800000000, 0.0042589100000000, -0.0005535400000000 ] - [ -0.0000665800000000, -0.0000101200000000, -0.0002482200000000 ] - [ 0.0012993600000000, 0.0102195400000000, -0.0091636600000000 ] - [ -0.0002703000000000, -0.0001433300000000, 0.0022079800000000 ] - [ 0.0000648700000000, 0.0000265700000000, 0.0002842100000000 ] - [ -0.0001470100000000, 0.0014386400000000, -0.0000661000000000 ] - [ 0.0021316800000000, 0.0017476200000000, -0.0003327700000000 ] - [ -0.0101751600000000, -0.0028236200000000, -0.0011570100000000 ] - [ 0.0000531000000000, 0.0011668900000000, -0.0002482000000000 ] - [ -0.0000040600000000, -0.0002561500000000, 0.0000419600000000 ] - [ -0.0003794400000000, -0.0004450700000000, 0.0000729500000000 ] - [ 0.0004096000000000, 0.0004036500000000, 0.0002209400000000 ] - [ -0.0016709000000000, -0.0051502200000000, 0.0007924300000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006102300000000, 0.0010511100000000, -0.0012526500000000 ] - [ 0.0002084900000000, 0.0000186300000000, 0.0000775200000000 ] - [ -0.0002955100000000, 0.0006091400000000, -0.0013317200000000 ] - [ -0.0000707600000000, 0.0004801000000000, -0.0002169300000000 ] - [ 0.0007128900000000, 0.0004858600000000, 0.0006944700000000 ] - [ -0.0004443700000000, -0.0000856700000000, -0.0018683500000000 ] - [ 0.0000688800000000, -0.0000361700000000, 0.0008472400000000 ] - [ -0.0015257200000000, 0.0017446800000000, -0.0009537400000000 ] - [ -0.0006164600000000, -0.0010661800000000, 0.0012252900000000 ] - [ -0.0000918300000000, 0.0000058600000000, -0.0002411700000000 ] - [ 0.0007297500000000, -0.0005924500000000, -0.0005028600000000 ] - [ -0.0017047000000000, 0.0046584300000000, 0.0044698000000000 ] - [ -0.0000812800000000, -0.0000668300000000, -0.0004907200000000 ] - [ -0.0006376300000000, -0.0034618600000000, -0.0009601200000000 ] - [ 0.0004840900000000, -0.0007303600000000, -0.0000247500000000 ] - [ 0.0002151800000000, 0.0000383600000000, -0.0003030300000000 ] - [ -0.0004454500000000, -0.0000569800000000, -0.0005777900000000 ] - [ 0.0078118000000000, 0.0011972100000000, 0.0056947900000000 ] - [ -0.0001003500000000, -0.0006659100000000, -0.0011034700000000 ] - [ -0.0004142100000000, 0.0001912300000000, 0.0005211300000000 ] - [ -0.0001699500000000, -0.0001485800000000, -0.0001827700000000 ] - [ 0.0000694500000000, -0.0002880800000000, -0.0003135500000000 ] - [ 0.0000580300000000, 0.0001330900000000, 0.0005598700000000 ] - [ 0.0049524600000000, -0.0024428000000000, -0.0005612800000000 ] - [ -0.0013183000000000, 0.0008631200000000, 0.0000299200000000 ] - [ -0.0002393900000000, 0.0001243700000000, -0.0003844600000000 ] - [ -0.0002149800000000, 0.0003096400000000, -0.0024081000000000 ] - [ 0.0033693300000000, 0.0014724100000000, -0.0016819000000000 ] - [ -0.0003328000000000, 0.0001292300000000, -0.0002474300000000 ] - [ -0.0013047500000000, 0.0004432900000000, 0.0016753700000000 ] - [ -0.0002187400000000, -0.0001243700000000, 0.0002376600000000 ] - [ 0.0002660500000000, 0.0005047200000000, 0.0000432100000000 ] - [ -0.0025423100000000, -0.0099491200000000, 0.0233972700000000 ] - [ 0.0005973400000000, -0.0008922300000000, 0.0010334100000000 ] - [ -0.0005340300000000, 0.0000586300000000, -0.0006166600000000 ] - [ 0.0000694600000000, 0.0003702600000000, 0.0000426600000000 ] - [ 0.0004455100000000, 0.0003386300000000, -0.0005091600000000 ] - [ -0.0000782700000000, 0.0001653000000000, -0.0014572000000000 ] - [ -0.0003035600000000, -0.0010389900000000, 0.0004666100000000 ] - [ -0.0003941300000000, -0.0000982000000000, -0.0000965100000000 ] - [ -0.0002352000000000, -0.0019935300000000, -0.0060183300000000 ] - [ -0.0001856600000000, 0.0004828500000000, 0.0013977500000000 ] - [ 0.0003863000000000, 0.0005421300000000, -0.0007837000000000 ] - [ -0.0000960200000000, -0.0002530800000000, -0.0003804900000000 ] - [ -0.0000040500000000, -0.0002352000000000, 0.0001398900000000 ] - [ -0.0001663500000000, -0.0002061200000000, -0.0012130500000000 ] - [ 0.0015495900000000, 0.0004910600000000, 0.0023070800000000 ] - [ -0.0005311500000000, -0.0003813800000000, 0.0001141800000000 ] - [ 0.0006364100000000, 0.0000276400000000, -0.0000145800000000 ] - [ 0.0000144900000000, -0.0001562300000000, -0.0025790300000000 ] - [ -0.0003921400000000, 0.0000439900000000, 0.0001322100000000 ] - [ -0.0014422500000000, 0.0021883700000000, -0.0016610900000000 ] - [ 0.0006936800000000, 0.0015152000000000, -0.0005389400000000 ] - [ -0.0002511800000000, 0.0000955000000000, 0.0007934400000000 ] - [ 0.0001652800000000, 0.0005310500000000, -0.0006182100000000 ] - [ -0.0001485200000000, 0.0000199000000000, 0.0004926600000000 ] - [ 0.0003033300000000, 0.0001620400000000, -0.0006669000000000 ] - [ -0.0008673500000000, -0.0030478200000000, -0.0011528400000000 ] - [ 0.0007095500000000, -0.0011192400000000, -0.0002214800000000 ] - [ -0.0001689100000000, -0.0001871000000000, -0.0004787800000000 ] - [ -0.0010174200000000, -0.0013120300000000, 0.0013977600000000 ] - [ 0.0001341500000000, -0.0003763300000000, -0.0000690500000000 ] - [ 0.0004984600000000, -0.0002055200000000, -0.0003283600000000 ] - [ -0.0013581900000000, 0.0049263100000000, 0.0047244400000000 ] - [ 0.0001844000000000, -0.0003395200000000, -0.0000383300000000 ] - [ 0.0000316200000000, 0.0004306900000000, -0.0004637000000000 ] - [ 0.0000965800000000, -0.0005823400000000, 0.0004126700000000 ] - [ 0.0001795900000000, 0.0000954600000000, -0.0006363600000000 ] - [ 0.0041956300000000, -0.0024618300000000, -0.0007123000000000 ] - [ 0.0077698400000000, 0.0004638900000000, 0.0059302000000000 ] - [ -0.0001387000000000, 0.0000474000000000, -0.0009570700000000 ] - [ 0.0005465000000000, -0.0001071900000000, -0.0000366100000000 ] - [ -0.0002976000000000, 0.0005794500000000, -0.0000544800000000 ] - [ -0.0017375300000000, 0.0004743600000000, 0.0018586400000000 ] - [ 0.0002322200000000, -0.0001580700000000, 0.0004334700000000 ] - [ 0.0002314000000000, 0.0000509700000000, 0.0002437900000000 ] - [ -0.0013452500000000, 0.0004098900000000, -0.0001795700000000 ] - [ 0.0002102200000000, 0.0000887400000000, -0.0005849700000000 ] - [ -0.0006591700000000, 0.0003399700000000, -0.0026011500000000 ] - [ 0.0034127000000000, 0.0019347100000000, -0.0018796800000000 ] - [ -0.0001955600000000, -0.0002660100000000, 0.0002427900000000 ] - [ 0.0005292700000000, -0.0004787300000000, -0.0007046300000000 ] - [ -0.0009164700000000, -0.0004138400000000, 0.0012165300000000 ] - [ 0.0002467800000000, 0.0005079300000000, 0.0006621800000000 ] - [ -0.0015752300000000, -0.0086691700000000, 0.0210727000000000 ] - [ -0.0000124200000000, -0.0002494200000000, 0.0002839400000000 ] - [ 0.0000719500000000, -0.0005804700000000, -0.0013705000000000 ] - [ -0.0005723800000000, -0.0002340400000000, -0.0007079700000000 ] - [ 0.0002690300000000, 0.0001142600000000, 0.0003844200000000 ] - [ -0.0005135700000000, 0.0000659800000000, -0.0009681900000000 ] - [ 0.0019113500000000, 0.0002167300000000, 0.0025787900000000 ] - [ -0.0006862300000000, -0.0001573500000000, 0.0007604600000000 ] - [ -0.0005113600000000, -0.0023423300000000, -0.0062397500000000 ] - [ 0.0001600300000000, 0.0002120300000000, 0.0011402500000000 ] - [ 0.0000386200000000, 0.0008171100000000, -0.0010279500000000 ] - [ -0.0011567600000000, -0.0000977400000000, -0.0004353700000000 ] - [ 0.0019944700000000, 0.0004816200000000, 0.0008169200000000 ] - [ 0.0003584800000000, 0.0030895900000000, -0.0041483200000000 ] - [ 0.0004675200000000, -0.0006594300000000, 0.0028014500000000 ] - [ -0.0009164600000000, -0.0003462400000000, 0.0006486800000000 ] - [ -0.0005443400000000, -0.0003482200000000, -0.0005191600000000 ] - [ 0.0004663800000000, -0.0006244600000000, 0.0003546300000000 ] - [ -0.0002028200000000, 0.0008989800000000, -0.0017914000000000 ] - [ -0.0123290200000000, 0.0044980100000000, 0.0128874700000000 ] - [ -0.0001788000000000, -0.0016465800000000, 0.0032862000000000 ] - [ -0.0001238800000000, -0.0001531800000000, -0.0008524800000000 ] - [ -0.0001878500000000, 0.0001914300000000, 0.0008271200000000 ] - [ -0.0006467300000000, 0.0071987200000000, -0.0001140000000000 ] - [ 0.0016667200000000, -0.0009588100000000, 0.0076524800000000 ] - [ 0.0016458700000000, -0.0015078200000000, -0.0002198900000000 ] - [ -0.0017114000000000, -0.0023882700000000, -0.0004762600000000 ] - [ 0.0009378700000000, -0.0002490300000000, -0.0007072400000000 ] - [ 0.0006165900000000, 0.0002133900000000, 0.0010171200000000 ] - [ -0.0000960900000000, 0.0005322600000000, 0.0018853600000000 ] - [ 0.0003646200000000, -0.0002690300000000, -0.0002592000000000 ] - [ -0.0133948000000000, 0.0039610600000000, 0.0142753900000000 ] - [ 0.0008294600000000, -0.0000827900000000, -0.0006990400000000 ] - [ 0.0009620700000000, 0.0019748300000000, -0.0057230600000000 ] - [ -0.0001034400000000, 0.0005133100000000, 0.0012723700000000 ] - [ 0.0002451300000000, 0.0002149400000000, -0.0008776400000000 ] - [ -0.0001241800000000, -0.0001545300000000, -0.0008450700000000 ] - [ -0.0001746300000000, -0.0016355500000000, 0.0032850400000000 ] - [ -0.0006029400000000, 0.0072014000000000, -0.0000302500000000 ] - [ -0.0001870600000000, 0.0001882600000000, 0.0008291900000000 ] - [ -0.0000889200000000, 0.0000404100000000, -0.0005266800000000 ] - [ 0.0016356500000000, -0.0014996600000000, -0.0002067300000000 ] - [ -0.0017190600000000, -0.0023988600000000, -0.0004889500000000 ] - [ -0.0001301700000000, -0.0005873100000000, 0.0011106000000000 ] - [ -0.0107779700000000, 0.0072744300000000, -0.0858884800000000 ] - [ -0.0006934000000000, 0.0013115200000000, 0.0004398900000000 ] - [ 0.0011706900000000, 0.0007947200000000, 0.0004329600000000 ] - [ -0.0001768400000000, -0.0000082700000000, 0.0007177400000000 ] - [ -0.0001124800000000, 0.0011486500000000, 0.0014300900000000 ] - [ -0.0000890900000000, -0.0001606200000000, -0.0000296300000000 ] - [ 0.0000346300000000, 0.0001261000000000, 0.0001039900000000 ] - [ 0.0012770400000000, -0.0080763600000000, -0.0023061600000000 ] - [ -0.0015578200000000, -0.0006875300000000, -0.0002650800000000 ] - [ 0.0004622600000000, 0.0000620200000000, 0.0015990300000000 ] - [ -0.0005277700000000, 0.0000304800000000, 0.0004109400000000 ] - [ 0.0098490400000000, 0.0022735700000000, 0.0102165600000000 ] - [ -0.0001655900000000, 0.0006362900000000, 0.0001955000000000 ] - [ -0.0003774700000000, 0.0001186100000000, -0.0006725700000000 ] - [ -0.0005048300000000, -0.0012582900000000, -0.0036422100000000 ] - [ 0.0001522500000000, -0.0005194600000000, 0.0001890700000000 ] - [ -0.0000695200000000, 0.0000291200000000, 0.0003175900000000 ] - [ -0.0006928800000000, 0.0013221500000000, 0.0004333200000000 ] - [ 0.0011641700000000, 0.0007926400000000, 0.0004402600000000 ] - [ -0.0001640200000000, 0.0005533800000000, -0.0007890500000000 ] - [ 0.0000366300000000, 0.0001279100000000, -0.0008070200000000 ] - [ 0.0012879700000000, -0.0081158100000000, -0.0032725100000000 ] - [ -0.0001102500000000, 0.0011379900000000, 0.0023490400000000 ] - [ -0.0000888800000000, -0.0001621900000000, 0.0008856700000000 ] - [ -0.0001548100000000, -0.0004807500000000, -0.0001707400000000 ] - [ 0.0007399400000000, 0.0001311300000000, -0.0010366900000000 ] - [ -0.0016762200000000, -0.0012416400000000, -0.0039964300000000 ] - [ 0.0001416000000000, 0.0005944500000000, -0.0001700900000000 ] - [ -0.0015786200000000, 0.0004232300000000, 0.0000900700000000 ] - [ -0.0006574600000000, 0.0000474100000000, 0.0019644000000000 ] - [ 0.0005876900000000, 0.0000385500000000, 0.0007730900000000 ] - [ 0.0097280000000000, 0.0011356400000000, 0.0104661000000000 ]- atom: 133 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0020024200000000, -0.0005705000000000, -0.0004372800000000 ] - [ -0.0003727900000000, -0.0001149900000000, -0.0002992200000000 ] - [ 0.0006447800000000, -0.0012181900000000, -0.0005219800000000 ] - [ -0.0006722300000000, 0.0001946900000000, -0.0001438900000000 ] - [ -0.0012160800000000, 0.0004011000000000, -0.0004335400000000 ] - [ 0.0048247300000000, -0.0010998800000000, 0.0016233900000000 ] - [ -0.0001289300000000, -0.0000087700000000, 0.0003887000000000 ] - [ 0.0007593400000000, -0.0003006900000000, 0.0002852000000000 ] - [ 0.0026040400000000, -0.0007817700000000, -0.0002664400000000 ] - [ -0.0030284700000000, 0.0003744800000000, -0.0000020700000000 ] - [ -0.0027914800000000, -0.0000058900000000, -0.0001712700000000 ] - [ 0.0022118200000000, -0.0010209700000000, 0.0000777400000000 ] - [ -0.0031377200000000, -0.0000596900000000, 0.0002924600000000 ] - [ 0.0113451000000000, -0.0055818900000000, -0.0054650600000000 ] - [ 0.0110439800000000, -0.0050539800000000, 0.0053123500000000 ] - [ -0.0027485600000000, 0.0001663400000000, -0.0001169100000000 ] - [ -0.0015907900000000, 0.0023985300000000, 0.0009575800000000 ] - [ -0.0001438600000000, 0.0010716300000000, 0.0008295700000000 ] - [ -0.0003935100000000, 0.0000156400000000, -0.0003120000000000 ] - [ -0.0008538700000000, 0.0002230600000000, 0.0003628000000000 ] - [ -0.0023024400000000, 0.0023373500000000, -0.0010924900000000 ] - [ -0.0028907800000000, -0.0042110900000000, -0.0003107800000000 ] - [ 0.0001511700000000, 0.0002235100000000, 0.0001978200000000 ] - [ -0.0000436900000000, -0.0021738400000000, -0.0014207800000000 ] - [ -0.0001075100000000, 0.0010570700000000, 0.0003862500000000 ] - [ 0.0008639300000000, 0.0012938300000000, 0.0002609000000000 ] - [ 0.0013278500000000, 0.0012595800000000, -0.0000651100000000 ] - [ 0.0003696400000000, 0.0005842700000000, -0.0009366600000000 ] - [ -0.0001378700000000, -0.0013448600000000, 0.0001438600000000 ] - [ -0.0003978700000000, -0.0001296400000000, -0.0004158000000000 ] - [ -0.0008462800000000, -0.0000979500000000, 0.0002203900000000 ] - [ -0.0001174400000000, -0.0002569500000000, -0.0008146000000000 ] - [ 0.0012872900000000, -0.0004758700000000, -0.0006339100000000 ] - [ 0.0001698400000000, -0.0003983800000000, 0.0004300000000000 ] - [ 0.0094465400000000, -0.0002829500000000, 0.0001392900000000 ] - [ -0.0005860900000000, 0.0002164900000000, 0.0004916000000000 ] - [ -0.0010046800000000, 0.0005735100000000, -0.0000666500000000 ] - [ -0.0001783800000000, 0.0004411700000000, -0.0006024300000000 ] - [ -0.0003425500000000, -0.0001254200000000, 0.0006326200000000 ] - [ 0.0003877600000000, -0.0002958600000000, -0.0001705400000000 ] - [ 0.0039096100000000, -0.0012997100000000, 0.0004761900000000 ] - [ -0.0000815700000000, 0.0000972900000000, 0.0003834800000000 ] - [ -0.0018858300000000, 0.0003092500000000, -0.0054484300000000 ] - [ 0.0036695300000000, -0.0016167200000000, -0.0002319900000000 ] - [ -0.0011275600000000, -0.0001271100000000, -0.0006057800000000 ] - [ -0.0000160100000000, -0.0001162900000000, -0.0000925900000000 ] - [ 0.0000551900000000, -0.0000281400000000, 0.0000300200000000 ] - [ -0.0007480800000000, -0.0022352200000000, 0.0015760000000000 ] - [ -0.0007522100000000, -0.0002659500000000, -0.0005695700000000 ] - [ 0.0011052900000000, -0.0012985000000000, -0.0001849800000000 ] - [ -0.0008339600000000, -0.0000378800000000, -0.0004129000000000 ] - [ 0.0020568500000000, -0.0001144500000000, -0.0002635500000000 ] - [ 0.0008312100000000, 0.0001598900000000, 0.0004266500000000 ] - [ -0.0005903200000000, 0.0000675600000000, 0.0003258100000000 ] - [ 0.0052853000000000, -0.0011581700000000, -0.0008827600000000 ] - [ -0.0012936500000000, -0.0000610200000000, 0.0011438200000000 ] - [ -0.0005763000000000, -0.0004974700000000, 0.0001814600000000 ] - [ 0.0003008100000000, 0.0000941600000000, 0.0000427400000000 ] - [ 0.0005315400000000, -0.0002900800000000, -0.0002201500000000 ] - [ -0.0009601900000000, -0.0007282100000000, -0.0003603200000000 ] - [ 0.0002023200000000, 0.0000023600000000, 0.0000578300000000 ] - [ -0.0002959600000000, -0.0002126200000000, 0.0000873100000000 ] - [ -0.0005235200000000, 0.0001715000000000, 0.0000887500000000 ] - [ 0.0005872600000000, 0.0002302300000000, 0.0001189800000000 ] - [ 0.0004627900000000, 0.0003146200000000, 0.0000221100000000 ] - [ -0.0004415300000000, 0.0007264700000000, 0.0001644900000000 ] - [ -0.0001087000000000, 0.0003619600000000, -0.0009819700000000 ] - [ 0.0010019700000000, 0.0009123700000000, 0.0001415800000000 ] - [ -0.0002487100000000, 0.0002710700000000, -0.0001699600000000 ] - [ 0.0001904800000000, -0.0004920200000000, -0.0000498800000000 ] - [ -0.0029291700000000, -0.0034845900000000, 0.0004527100000000 ] - [ 0.0000080600000000, -0.0002128000000000, -0.0003060600000000 ] - [ 0.0003929500000000, 0.0010318200000000, 0.0011328900000000 ] - [ -0.0008189600000000, 0.0003073400000000, 0.0002406500000000 ] - [ -0.0003732100000000, 0.0002736300000000, -0.0000420400000000 ] - [ -0.0001458700000000, 0.0006006400000000, -0.0001855800000000 ] - [ -0.0001547500000000, -0.0007066000000000, 0.0006141600000000 ] - [ 0.0025004800000000, -0.0024657600000000, -0.0018290300000000 ] - [ 0.0020300200000000, -0.0024134300000000, 0.0016269700000000 ] - [ -0.0001147000000000, -0.0008973800000000, -0.0003436900000000 ] - [ -0.0012227200000000, -0.0003912900000000, 0.0002547800000000 ] - [ 0.0089856200000000, -0.0010998600000000, 0.0009454700000000 ] - [ -0.0004359200000000, 0.0002405100000000, 0.0003223400000000 ] - [ 0.0019307700000000, 0.0001334000000000, 0.0013786300000000 ] - [ 0.0010291600000000, 0.0003055500000000, -0.0005820600000000 ] - [ -0.0009519200000000, 0.0005114400000000, -0.0013797300000000 ] - [ 0.0004227300000000, -0.0001977700000000, -0.0001496100000000 ] - [ -0.0016437700000000, -0.0000268000000000, -0.0006842000000000 ] - [ -0.0003284400000000, 0.0000934700000000, -0.0000485900000000 ] - [ -0.0022258500000000, 0.0005867600000000, 0.0056758400000000 ] - [ 0.0002638800000000, -0.0001774700000000, -0.0001349300000000 ] - [ -0.0006040700000000, -0.0002551400000000, 0.0002980600000000 ] - [ 0.0007266500000000, 0.0005529400000000, -0.0003863200000000 ] - [ 0.0003974600000000, -0.0003019600000000, -0.0002791400000000 ] - [ -0.0003672000000000, 0.0001576000000000, -0.0001546100000000 ] - [ -0.0007058000000000, -0.0002574900000000, 0.0004502700000000 ] - [ 0.0029029000000000, -0.0012858000000000, -0.0001632600000000 ] - [ 0.0001453000000000, 0.0000695100000000, -0.0001679000000000 ] - [ 0.0006376700000000, -0.0013807000000000, 0.0011167800000000 ] - [ 0.0017425400000000, -0.0018321200000000, 0.0016848600000000 ] - [ -0.0014991100000000, 0.0034983700000000, -0.0031348800000000 ] - [ 0.0059235000000000, 0.0112577800000000, 0.0095565200000000 ] - [ -0.0001257800000000, 0.0008345700000000, -0.0010584200000000 ] - [ -0.0002995500000000, 0.0040459800000000, 0.0016307900000000 ] - [ -0.0013077600000000, 0.0007326400000000, 0.0000006800000000 ] - [ 0.0008139700000000, 0.0000899100000000, 0.0000004400000000 ] - [ 0.0042596000000000, -0.0001669100000000, 0.0000014900000000 ] - [ -0.0150973400000000, 0.0084340500000000, 0.0000641000000000 ] - [ -0.0065474800000000, -0.0011732500000000, -0.0026066800000000 ] - [ 0.0000188800000000, 0.0002857300000000, -0.0003336100000000 ] - [ -0.0007616400000000, -0.0006954800000000, 0.0028592000000000 ] - [ 0.0011783700000000, -0.0002253100000000, -0.0002137600000000 ] - [ -0.0002953800000000, -0.0004982500000000, 0.0001105400000000 ] - [ 0.0000886700000000, -0.0002199400000000, 0.0004097900000000 ] - [ 0.0007135000000000, -0.0010860800000000, 0.0016991600000000 ] - [ -0.0014656600000000, -0.0010502900000000, 0.0014136100000000 ] - [ 0.0004117400000000, 0.0001798800000000, -0.0012261200000000 ] - [ 0.0004337700000000, -0.0003257500000000, -0.0004732100000000 ] - [ 0.0052990500000000, 0.0123394900000000, -0.0110141400000000 ] - [ 0.0015668300000000, 0.0007366400000000, -0.0002983000000000 ] - [ 0.0015057400000000, 0.0003124900000000, 0.0000011200000000 ] - [ -0.0084029000000000, 0.0041683800000000, -0.0000602500000000 ] - [ -0.0005335400000000, 0.0000365600000000, 0.0000006800000000 ] - [ 0.0008292200000000, 0.0003104900000000, 0.0000029100000000 ] - [ 0.0011791700000000, -0.0002231300000000, 0.0002088900000000 ] - [ -0.0007412700000000, -0.0006919100000000, -0.0028432000000000 ] - [ 0.0000240700000000, 0.0002891900000000, 0.0003359100000000 ] - [ -0.0065629700000000, -0.0012412700000000, 0.0025819300000000 ] - [ -0.0009141100000000, -0.0002694600000000, -0.0001095900000000 ] - [ 0.0000240300000000, 0.0000854100000000, 0.0001619500000000 ] - [ 0.0103295000000000, -0.0002165600000000, -0.0081578500000000 ] - [ 0.0019383100000000, -0.0000705000000000, -0.0000347100000000 ] - [ -0.0614441100000000, 0.0100914900000000, -0.0004724700000000 ] - [ 0.0024128100000000, -0.0002285100000000, -0.0004546800000000 ] - [ 0.0015998700000000, -0.0001182300000000, 0.0004537100000000 ] - [ -0.0008138000000000, -0.0000001300000000, 0.0004595200000000 ] - [ 0.0006953700000000, -0.0007609700000000, -0.0000396300000000 ] - [ 0.0052694800000000, -0.0061848100000000, 0.0033390400000000 ] - [ 0.0041222600000000, -0.0061404000000000, -0.0036603500000000 ] - [ -0.0009034600000000, -0.0037538600000000, -0.0007868300000000 ] - [ -0.0006908400000000, 0.0008054100000000, 0.0008695100000000 ] - [ -0.0006223200000000, 0.0001873800000000, -0.0006255800000000 ] - [ 0.0004977800000000, 0.0001996300000000, 0.0009845400000000 ] - [ 0.0015901900000000, 0.0002879100000000, -0.0004752000000000 ] - [ 0.0019406200000000, -0.0000663700000000, 0.0000363900000000 ] - [ 0.0102205600000000, -0.0002077700000000, 0.0080357500000000 ] - [ 0.0000266600000000, 0.0000841700000000, -0.0001607000000000 ] - [ -0.0009157900000000, -0.0002745500000000, 0.0001131000000000 ] - [ 0.0003780800000000, 0.0000766900000000, -0.0004579900000000 ] - [ -0.0005149100000000, 0.0002288100000000, -0.0004579600000000 ] - [ -0.0007354300000000, 0.0000301000000000, 0.0004578900000000 ] - [ 0.0006942100000000, -0.0000000600000000, 0.0004579800000000 ] - [ -0.0008695300000000, -0.0048761100000000, 0.0004184800000000 ] - [ 0.0005893100000000, -0.0002728200000000, 0.0000322700000000 ] - [ -0.0005270600000000, -0.0002811800000000, -0.0003946000000000 ] - [ 0.0006882300000000, 0.0003529600000000, -0.0003195500000000 ] - [ 0.0015799400000000, 0.0013923500000000, 0.0008331000000000 ] - [ -0.0004457600000000, 0.0011980400000000, -0.0001593900000000 ] - [ 0.0006629300000000, 0.0012140000000000, 0.0005202700000000 ] - [ -0.0006749600000000, -0.0003056800000000, -0.0005047700000000 ]- atom: 133 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007534500000000, 0.0021317400000000, -0.0005906800000000 ] - [ 0.0002552800000000, 0.0004092200000000, -0.0002200300000000 ] - [ 0.0001901600000000, -0.0050605700000000, -0.0009564200000000 ] - [ -0.0004741300000000, -0.0003786400000000, -0.0001271400000000 ] - [ 0.0000614500000000, 0.0005834200000000, 0.0002978800000000 ] - [ -0.0014651600000000, 0.0099137800000000, -0.0002521900000000 ] - [ 0.0001760300000000, -0.0005117000000000, 0.0004223700000000 ] - [ 0.0003217700000000, -0.0018025900000000, 0.0003052800000000 ] - [ -0.0007326200000000, 0.0021000400000000, -0.0002727500000000 ] - [ -0.0007048500000000, 0.0008766100000000, -0.0001399700000000 ] - [ -0.0004815500000000, 0.0004888800000000, -0.0000384400000000 ] - [ -0.0011255500000000, 0.0018599600000000, 0.0000831200000000 ] - [ -0.0004962600000000, 0.0005067200000000, 0.0000879600000000 ] - [ -0.0042743900000000, 0.0081803200000000, 0.0034888000000000 ] - [ -0.0045724300000000, 0.0085709400000000, -0.0034675900000000 ] - [ -0.0001170500000000, 0.0007374900000000, 0.0000873900000000 ] - [ 0.0015731000000000, 0.0000428400000000, -0.0001374700000000 ] - [ 0.0006026300000000, 0.0002745600000000, -0.0008670400000000 ] - [ 0.0009640800000000, -0.0006807000000000, 0.0003727300000000 ] - [ 0.0002839200000000, 0.0002132100000000, -0.0004524300000000 ] - [ 0.0008547100000000, 0.0000161400000000, -0.0000105500000000 ] - [ -0.0010472700000000, -0.0002343400000000, 0.0000250500000000 ] - [ -0.0002105000000000, 0.0001494300000000, 0.0003062100000000 ] - [ -0.0021629700000000, 0.0011497800000000, -0.0020260900000000 ] - [ 0.0002651100000000, -0.0005374500000000, -0.0000558300000000 ] - [ 0.0031860700000000, -0.0026703700000000, -0.0009965700000000 ] - [ 0.0036093100000000, -0.0026952300000000, 0.0011808500000000 ] - [ 0.0008900900000000, 0.0004591800000000, 0.0007996300000000 ] - [ -0.0023960200000000, -0.0034374900000000, 0.0007091300000000 ] - [ -0.0000861700000000, -0.0002494000000000, -0.0004746000000000 ] - [ -0.0005390100000000, -0.0002122100000000, 0.0002774500000000 ] - [ -0.0000048500000000, 0.0005121300000000, -0.0002680900000000 ] - [ 0.0001869400000000, -0.0024479000000000, -0.0032148900000000 ] - [ 0.0002141300000000, -0.0007698100000000, 0.0005341900000000 ] - [ -0.0007919900000000, 0.0053801200000000, 0.0010205300000000 ] - [ 0.0002578000000000, 0.0004339800000000, 0.0005047000000000 ] - [ 0.0003998900000000, 0.0000012200000000, -0.0003664800000000 ] - [ -0.0001805900000000, -0.0011248900000000, -0.0000965300000000 ] - [ 0.0007349600000000, 0.0003405000000000, -0.0006967200000000 ] - [ -0.0003980800000000, -0.0000332300000000, -0.0009439300000000 ] - [ -0.0021809300000000, -0.0026139000000000, -0.0016808100000000 ] - [ -0.0003303200000000, -0.0006200500000000, 0.0004462300000000 ] - [ -0.0002782800000000, 0.0007402700000000, -0.0009771300000000 ] - [ -0.0023636000000000, -0.0025655900000000, 0.0019307900000000 ] - [ 0.0000099600000000, -0.0001305700000000, 0.0002032000000000 ] - [ 0.0005204900000000, -0.0014812500000000, -0.0006750800000000 ] - [ -0.0002574700000000, 0.0007640800000000, -0.0003690900000000 ] - [ -0.0028997400000000, 0.0011251300000000, 0.0021891900000000 ] - [ -0.0005492200000000, -0.0008388200000000, -0.0005869100000000 ] - [ 0.0006511400000000, -0.0051194100000000, 0.0002328500000000 ] - [ -0.0002050600000000, 0.0004831700000000, -0.0004952700000000 ] - [ -0.0006761700000000, 0.0025897900000000, -0.0001233300000000 ] - [ 0.0004043100000000, -0.0013435400000000, 0.0004130400000000 ] - [ -0.0002853400000000, -0.0004334100000000, 0.0002953100000000 ] - [ -0.0010726500000000, 0.0100069500000000, 0.0012571600000000 ] - [ -0.0000218000000000, 0.0001235300000000, 0.0004216900000000 ] - [ 0.0000379600000000, -0.0004701300000000, 0.0000600800000000 ] - [ -0.0000933600000000, -0.0004770500000000, 0.0001699900000000 ] - [ 0.0001333300000000, -0.0008594900000000, -0.0003450100000000 ] - [ -0.0003460700000000, -0.0006948700000000, -0.0002347800000000 ] - [ -0.0001650600000000, -0.0009556000000000, 0.0005214500000000 ] - [ 0.0002007700000000, -0.0005769200000000, 0.0000738900000000 ] - [ -0.0000262400000000, -0.0001943600000000, 0.0001002600000000 ] - [ 0.0002164900000000, -0.0007299800000000, -0.0003426800000000 ] - [ 0.0006857600000000, -0.0003225900000000, -0.0003163600000000 ] - [ 0.0009323900000000, 0.0000413800000000, -0.0005260900000000 ] - [ 0.0006400900000000, -0.0004327000000000, 0.0007153400000000 ] - [ 0.0006325700000000, -0.0012238000000000, -0.0017371700000000 ] - [ -0.0000306400000000, -0.0003666400000000, 0.0001678100000000 ] - [ -0.0001702800000000, -0.0005708100000000, -0.0001554100000000 ] - [ -0.0010924400000000, 0.0004593700000000, 0.0001221400000000 ] - [ -0.0000550900000000, -0.0003052300000000, -0.0002682300000000 ] - [ 0.0009262100000000, 0.0009192600000000, -0.0005993800000000 ] - [ 0.0000391200000000, 0.0000641100000000, 0.0000177800000000 ] - [ 0.0004875000000000, 0.0000305200000000, 0.0001821200000000 ] - [ 0.0002326400000000, -0.0009851500000000, 0.0002575100000000 ] - [ -0.0000445900000000, 0.0000508000000000, 0.0000712800000000 ] - [ -0.0025831200000000, -0.0006357400000000, -0.0026122400000000 ] - [ -0.0030161300000000, -0.0006129400000000, 0.0023936800000000 ] - [ -0.0023473500000000, -0.0029759400000000, -0.0009010800000000 ] - [ -0.0003871400000000, -0.0001657400000000, 0.0002539700000000 ] - [ -0.0001923200000000, 0.0047144300000000, -0.0002548300000000 ] - [ -0.0003890300000000, -0.0001267000000000, 0.0002229100000000 ] - [ 0.0008312300000000, -0.0018512900000000, 0.0039954600000000 ] - [ 0.0002453200000000, 0.0005664000000000, 0.0001872200000000 ] - [ 0.0001278500000000, 0.0009848200000000, -0.0000625400000000 ] - [ 0.0004266700000000, -0.0017696300000000, -0.0006646900000000 ] - [ -0.0002450200000000, -0.0006054200000000, -0.0003900900000000 ] - [ 0.0000301700000000, 0.0001129900000000, 0.0000767700000000 ] - [ -0.0006332500000000, 0.0010118700000000, 0.0012457300000000 ] - [ 0.0000215500000000, -0.0008936700000000, -0.0001914500000000 ] - [ -0.0002421000000000, -0.0002345000000000, 0.0001736700000000 ] - [ 0.0003565500000000, -0.0015852800000000, 0.0014813400000000 ] - [ 0.0000907100000000, 0.0004924000000000, 0.0001230500000000 ] - [ 0.0001776200000000, -0.0012073400000000, 0.0004258800000000 ] - [ -0.0007698800000000, -0.0003466000000000, 0.0004165000000000 ] - [ -0.0000958400000000, 0.0009443600000000, 0.0013000600000000 ] - [ -0.0009133300000000, -0.0000754600000000, 0.0014114600000000 ] - [ -0.0018136700000000, 0.0022062800000000, -0.0000815300000000 ] - [ -0.0012566900000000, 0.0003788400000000, 0.0002314900000000 ] - [ 0.0072070600000000, 0.0059941100000000, -0.0108007700000000 ] - [ 0.0055953100000000, -0.0016893900000000, 0.0017011500000000 ] - [ 0.0000362900000000, 0.0012717200000000, -0.0011281600000000 ] - [ 0.0082904700000000, 0.0064890500000000, 0.0091768300000000 ] - [ -0.0009714600000000, 0.0049981500000000, -0.0000040700000000 ] - [ 0.0002566600000000, 0.0007080100000000, -0.0000008700000000 ] - [ 0.0004298100000000, -0.0008709700000000, 0.0000011200000000 ] - [ 0.0081784200000000, -0.0109890000000000, 0.0000689700000000 ] - [ -0.0021415100000000, 0.0141215100000000, -0.0115080000000000 ] - [ 0.0001195700000000, 0.0031954300000000, -0.0003357500000000 ] - [ -0.0001915200000000, -0.0016112000000000, 0.0003385500000000 ] - [ 0.0001139000000000, 0.0000072300000000, 0.0002212600000000 ] - [ -0.0006344400000000, 0.0005001700000000, 0.0027041000000000 ] - [ -0.0023868000000000, 0.0033709200000000, 0.0016192200000000 ] - [ -0.0003500900000000, -0.0012411000000000, 0.0001230000000000 ] - [ -0.0017926300000000, -0.0000467200000000, -0.0011768600000000 ] - [ -0.0002998400000000, -0.0004414300000000, -0.0010182700000000 ] - [ 0.0005931500000000, 0.0001141200000000, -0.0004069700000000 ] - [ 0.0050138100000000, -0.0004546700000000, -0.0032508800000000 ] - [ 0.0008592600000000, 0.0001105400000000, -0.0005094300000000 ] - [ 0.0000473300000000, -0.0004870600000000, -0.0000014500000000 ] - [ 0.0045368000000000, -0.0192090800000000, -0.0000491100000000 ] - [ 0.0001260300000000, 0.0010740100000000, -0.0000010100000000 ] - [ 0.0001063000000000, 0.0007263400000000, 0.0000016400000000 ] - [ 0.0001167600000000, 0.0000016800000000, -0.0002232900000000 ] - [ -0.0001924100000000, -0.0016134500000000, -0.0003478800000000 ] - [ 0.0001096800000000, 0.0031854500000000, 0.0003274500000000 ] - [ -0.0021752600000000, 0.0142412200000000, 0.0116994700000000 ] - [ 0.0000269000000000, -0.0001398500000000, 0.0011403300000000 ] - [ -0.0000639000000000, 0.0006561900000000, -0.0000880000000000 ] - [ -0.0013312100000000, -0.0037433300000000, -0.0012683400000000 ] - [ 0.0001699600000000, -0.0000092900000000, -0.0001278100000000 ] - [ 0.0100927800000000, -0.0407842200000000, -0.0006926300000000 ] - [ 0.0003434200000000, -0.0005146600000000, -0.0004594500000000 ] - [ -0.0001184600000000, -0.0005550200000000, 0.0004595800000000 ] - [ 0.0000003000000000, -0.0008142000000000, 0.0004604900000000 ] - [ -0.0002225400000000, -0.0004618500000000, -0.0003672600000000 ] - [ -0.0027640600000000, -0.0017372800000000, -0.0006161500000000 ] - [ -0.0038775600000000, -0.0017793800000000, 0.0002515600000000 ] - [ -0.0045252600000000, 0.0048125000000000, 0.0031844700000000 ] - [ 0.0003103700000000, 0.0007672200000000, 0.0012875600000000 ] - [ -0.0003529800000000, -0.0008003900000000, -0.0003759600000000 ] - [ 0.0007640100000000, -0.0007829300000000, 0.0007341200000000 ] - [ 0.0011316400000000, -0.0005691300000000, -0.0000095500000000 ] - [ 0.0001675400000000, -0.0000161300000000, 0.0001260300000000 ] - [ -0.0012838400000000, -0.0037330100000000, 0.0012965300000000 ] - [ -0.0000651800000000, 0.0006559600000000, 0.0000903800000000 ] - [ 0.0000244600000000, -0.0001518100000000, -0.0011463000000000 ] - [ 0.0000770900000000, 0.0003505100000000, -0.0004585700000000 ] - [ -0.0003441000000000, 0.0024132100000000, -0.0004623300000000 ] - [ 0.0000298700000000, 0.0019520900000000, 0.0004637300000000 ] - [ 0.0000004200000000, 0.0006938800000000, 0.0004591600000000 ] - [ -0.0045644900000000, 0.0037079100000000, -0.0035926600000000 ] - [ 0.0003499200000000, 0.0006442300000000, -0.0002726000000000 ] - [ -0.0007624500000000, 0.0006382900000000, -0.0000909700000000 ] - [ -0.0002331100000000, 0.0006481300000000, 0.0000067000000000 ] - [ 0.0011135800000000, 0.0005505300000000, 0.0003746100000000 ] - [ 0.0004101800000000, 0.0015414000000000, -0.0004385400000000 ] - [ 0.0015334400000000, 0.0015488800000000, 0.0008058800000000 ] - [ 0.0003208900000000, -0.0003423800000000, -0.0009219700000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0035867900000000, -0.0008599000000000, -0.0050125200000000 ] - [ 0.0002727900000000, -0.0000261900000000, -0.0009718300000000 ] - [ -0.0003165300000000, -0.0001210300000000, 0.0006421200000000 ] - [ 0.0001197900000000, 0.0002381100000000, -0.0002015300000000 ] - [ -0.0003271300000000, 0.0002091300000000, -0.0004187200000000 ] - [ 0.0021495400000000, -0.0023521800000000, 0.0123679100000000 ] - [ 0.0002720700000000, -0.0001469000000000, 0.0002201500000000 ] - [ -0.0000703000000000, -0.0003028100000000, 0.0010921900000000 ] - [ 0.0018195200000000, 0.0027421700000000, -0.0053577900000000 ] - [ -0.0000981400000000, 0.0001133900000000, 0.0008198100000000 ] - [ 0.0000981400000000, -0.0001133900000000, 0.0008198100000000 ] - [ -0.0018195200000000, -0.0027421700000000, -0.0053577900000000 ] - [ -0.0006124400000000, -0.0000528900000000, 0.0007498600000000 ] - [ -0.0051765700000000, 0.0053072900000000, 0.0174756400000000 ] - [ 0.0051765700000000, -0.0053072900000000, 0.0174756400000000 ] - [ 0.0006124400000000, 0.0000528900000000, 0.0007498600000000 ] - [ 0.0020934000000000, -0.0008892800000000, 0.0013315200000000 ] - [ 0.0011880800000000, -0.0007875200000000, -0.0020396900000000 ] - [ -0.0003220100000000, -0.0000042200000000, 0.0001402800000000 ] - [ 0.0003454900000000, 0.0000019300000000, -0.0001883000000000 ] - [ -0.0020934000000000, 0.0008892800000000, 0.0013315200000000 ] - [ -0.0012092300000000, -0.0015232600000000, 0.0008511700000000 ] - [ 0.0002642300000000, 0.0008561000000000, -0.0005995200000000 ] - [ -0.0009000600000000, -0.0019731700000000, 0.0008043400000000 ] - [ 0.0003031600000000, -0.0002909900000000, 0.0003149800000000 ] - [ 0.0008170600000000, -0.0017811000000000, 0.0019128900000000 ] - [ -0.0008170600000000, 0.0017811000000000, 0.0019128900000000 ] - [ -0.0012086800000000, 0.0004116700000000, -0.0014304800000000 ] - [ 0.0003521800000000, 0.0003937700000000, 0.0007811900000000 ] - [ -0.0000475300000000, -0.0002379300000000, -0.0004462700000000 ] - [ 0.0000475300000000, 0.0002379300000000, -0.0004462700000000 ] - [ -0.0004826100000000, -0.0001284200000000, -0.0010372800000000 ] - [ -0.0012508900000000, -0.0016044500000000, 0.0009477900000000 ] - [ 0.0003848300000000, -0.0000925700000000, -0.0000706900000000 ] - [ 0.0012544900000000, 0.0009298900000000, 0.0054917300000000 ] - [ 0.0003849700000000, 0.0004305500000000, 0.0000957500000000 ] - [ -0.0002441200000000, 0.0005474300000000, 0.0002053900000000 ] - [ -0.0005305100000000, 0.0005029900000000, -0.0002452600000000 ] - [ 0.0015681100000000, -0.0005873200000000, -0.0018664700000000 ] - [ -0.0005122800000000, -0.0004758000000000, -0.0023934200000000 ] - [ 0.0010486300000000, -0.0000846000000000, 0.0067521200000000 ] - [ 0.0000227900000000, 0.0002286400000000, 0.0000435900000000 ] - [ -0.0007217100000000, -0.0002965200000000, -0.0002316400000000 ] - [ -0.0010486300000000, 0.0000846000000000, 0.0067521200000000 ] - [ -0.0003454900000000, -0.0000019300000000, -0.0001883000000000 ] - [ -0.0000036800000000, 0.0002361400000000, 0.0007462300000000 ] - [ -0.0003248200000000, 0.0006332300000000, -0.0026210500000000 ] - [ 0.0009000600000000, 0.0019731700000000, 0.0008043400000000 ] - [ -0.0001197900000000, -0.0002381100000000, -0.0002015300000000 ] - [ 0.0003165300000000, 0.0001210300000000, 0.0006421200000000 ] - [ -0.0002727900000000, 0.0000261900000000, -0.0009718300000000 ] - [ 0.0035867900000000, 0.0008599000000000, -0.0050125200000000 ] - [ 0.0000703000000000, 0.0003028100000000, 0.0010921900000000 ] - [ -0.0002720700000000, 0.0001469000000000, 0.0002201500000000 ] - [ -0.0021495400000000, 0.0023521800000000, 0.0123679100000000 ] - [ 0.0003271300000000, -0.0002091300000000, -0.0004187200000000 ] - [ 0.0002882600000000, 0.0002354000000000, 0.0000118800000000 ] - [ -0.0000682900000000, 0.0003776200000000, -0.0008185200000000 ] - [ 0.0000682900000000, -0.0003776200000000, -0.0008185200000000 ] - [ -0.0002882600000000, -0.0002354000000000, 0.0000118800000000 ] - [ -0.0001128800000000, 0.0001206400000000, -0.0005912900000000 ] - [ 0.0001732600000000, -0.0002288600000000, -0.0001108800000000 ] - [ -0.0001732600000000, 0.0002288600000000, -0.0001108800000000 ] - [ 0.0001128800000000, -0.0001206400000000, -0.0005912900000000 ] - [ 0.0007928000000000, -0.0004726800000000, -0.0010073200000000 ] - [ 0.0003220100000000, 0.0000042200000000, 0.0001402800000000 ] - [ -0.0011880800000000, 0.0007875200000000, -0.0020396900000000 ] - [ 0.0007099700000000, -0.0025480600000000, -0.0022170400000000 ] - [ -0.0007928000000000, 0.0004726800000000, -0.0010073200000000 ] - [ -0.0002642300000000, -0.0008561000000000, -0.0005995200000000 ] - [ 0.0012092300000000, 0.0015232600000000, 0.0008511700000000 ] - [ -0.0000167700000000, -0.0001188700000000, -0.0003932300000000 ] - [ 0.0012086800000000, -0.0004116700000000, -0.0014304800000000 ] - [ 0.0003467900000000, -0.0003163300000000, -0.0006137200000000 ] - [ -0.0003467900000000, 0.0003163300000000, -0.0006137200000000 ] - [ -0.0003031600000000, 0.0002909900000000, 0.0003149800000000 ] - [ 0.0004826100000000, 0.0001284200000000, -0.0010372800000000 ] - [ -0.0020329900000000, -0.0020086900000000, 0.0002603000000000 ] - [ 0.0020329900000000, 0.0020086900000000, 0.0002603000000000 ] - [ -0.0003521800000000, -0.0003937700000000, 0.0007811900000000 ] - [ -0.0003849700000000, -0.0004305500000000, 0.0000957500000000 ] - [ -0.0012544900000000, -0.0009298900000000, 0.0054917300000000 ] - [ -0.0003848300000000, 0.0000925700000000, -0.0000706900000000 ] - [ 0.0012508900000000, 0.0016044500000000, 0.0009477900000000 ] - [ 0.0005122800000000, 0.0004758000000000, -0.0023934200000000 ] - [ -0.0015681100000000, 0.0005873200000000, -0.0018664700000000 ] - [ 0.0005305100000000, -0.0005029900000000, -0.0002452600000000 ] - [ 0.0002441200000000, -0.0005474300000000, 0.0002053900000000 ] - [ -0.0001523100000000, 0.0001386600000000, -0.0006166900000000 ] - [ 0.0007217100000000, 0.0002965200000000, -0.0002316400000000 ] - [ -0.0000227900000000, -0.0002286400000000, 0.0000435900000000 ] - [ 0.0001523100000000, -0.0001386600000000, -0.0006166900000000 ] - [ -0.0007099700000000, 0.0025480600000000, -0.0022170400000000 ] - [ 0.0003248200000000, -0.0006332300000000, -0.0026210500000000 ] - [ 0.0000036800000000, -0.0002361400000000, 0.0007462300000000 ] - [ 0.0000167700000000, 0.0001188700000000, -0.0003932300000000 ] - [ -0.0004288100000000, 0.0011563500000000, 0.0008322100000000 ] - [ -0.0012611800000000, 0.0007561600000000, 0.0033731200000000 ] - [ 0.0011894500000000, -0.0014607700000000, 0.0002756700000000 ] - [ 0.0004288100000000, -0.0011563500000000, 0.0008322100000000 ] - [ -0.0016184500000000, -0.0030183500000000, -0.0029937000000000 ] - [ 0.0049590600000000, 0.0024004800000000, 0.0003375900000000 ] - [ -0.0006022900000000, 0.0001468800000000, -0.0003480600000000 ] - [ 0.0016184500000000, 0.0030183500000000, -0.0029937000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000023200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0365461800000000 ] - [ -0.0030899300000000, -0.0148741000000000, -0.0056107100000000 ] - [ -0.0001911500000000, 0.0000350700000000, -0.0007920500000000 ] - [ 0.0031202500000000, -0.0003913600000000, 0.0030513800000000 ] - [ -0.0001513200000000, 0.0002421100000000, 0.0006173600000000 ] - [ -0.0004556100000000, 0.0014738800000000, 0.0040961500000000 ] - [ -0.0011894500000000, 0.0014607700000000, 0.0002756700000000 ] - [ 0.0012611800000000, -0.0007561600000000, 0.0033731200000000 ] - [ 0.0004556100000000, -0.0014738800000000, 0.0040961500000000 ] - [ -0.0010318600000000, -0.0005734800000000, -0.0000125500000000 ] - [ 0.0006022900000000, -0.0001468800000000, -0.0003480600000000 ] - [ -0.0049590600000000, -0.0024004800000000, 0.0003375900000000 ] - [ 0.0010318600000000, 0.0005734800000000, -0.0000125500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014437700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0340345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014506500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001213700000000 ] - [ 0.0001513200000000, -0.0002421100000000, 0.0006173600000000 ] - [ -0.0031202500000000, 0.0003913600000000, 0.0030513800000000 ] - [ 0.0001911500000000, -0.0000350700000000, -0.0007920500000000 ] - [ 0.0030899300000000, 0.0148741000000000, -0.0056107100000000 ] - [ -0.0000683100000000, 0.0017512900000000, 0.0018899700000000 ] - [ 0.0001743200000000, -0.0000537400000000, 0.0004273800000000 ] - [ -0.0087440500000000, -0.0019937500000000, -0.0027761500000000 ] - [ -0.0001920200000000, -0.0002080100000000, -0.0003529800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1247289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002736900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002285900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053026900000000 ] - [ 0.0004274000000000, -0.0008294500000000, 0.0004553400000000 ] - [ 0.0049866200000000, -0.0019649200000000, -0.0013923700000000 ] - [ -0.0049866200000000, 0.0019649200000000, -0.0013923700000000 ] - [ -0.0021629400000000, 0.0073793500000000, -0.0019388400000000 ] - [ 0.0005198300000000, 0.0014643100000000, 0.0017920900000000 ] - [ -0.0020744300000000, -0.0007678100000000, 0.0016231600000000 ] - [ 0.0020744300000000, 0.0007678100000000, 0.0016231600000000 ] - [ -0.0004735900000000, -0.0007078000000000, -0.0006570800000000 ] - [ 0.0001920200000000, 0.0002080100000000, -0.0003529800000000 ] - [ 0.0087440500000000, 0.0019937500000000, -0.0027761500000000 ] - [ -0.0001743200000000, 0.0000537400000000, 0.0004273800000000 ] - [ 0.0000683100000000, -0.0017512900000000, 0.0018899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002715300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003928800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000705900000000 ] - [ 0.0021629400000000, -0.0073793500000000, -0.0019388400000000 ] - [ 0.0007571400000000, -0.0005129000000000, 0.0004852700000000 ] - [ -0.0007571400000000, 0.0005129000000000, 0.0004852700000000 ] - [ -0.0004274000000000, 0.0008294500000000, 0.0004553400000000 ] - [ 0.0004735900000000, 0.0007078000000000, -0.0006570800000000 ] - [ -0.0009136800000000, -0.0006879400000000, -0.0004588200000000 ] - [ 0.0009136800000000, 0.0006879400000000, -0.0004588200000000 ] - [ -0.0005198300000000, -0.0014643100000000, 0.0017920900000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0034991000000000, 0.0003985200000000, 0.0042825400000000 ] - [ 0.0001876900000000, -0.0000490600000000, 0.0002588200000000 ] - [ -0.0001455300000000, 0.0001995900000000, -0.0013484500000000 ] - [ -0.0000418300000000, 0.0002243200000000, -0.0005149900000000 ] - [ 0.0004015600000000, 0.0002515000000000, 0.0011349000000000 ] - [ -0.0023912000000000, 0.0018925600000000, -0.0108806200000000 ] - [ 0.0001896200000000, 0.0000701900000000, 0.0004957200000000 ] - [ -0.0000014300000000, -0.0001571300000000, -0.0003804900000000 ] - [ -0.0014359200000000, -0.0025163800000000, 0.0051928300000000 ] - [ -0.0001285000000000, 0.0002712000000000, -0.0009996000000000 ] - [ 0.0001285000000000, -0.0002712000000000, -0.0009996000000000 ] - [ 0.0014359200000000, 0.0025163800000000, 0.0051928300000000 ] - [ 0.0002318000000000, -0.0001768800000000, -0.0005730900000000 ] - [ 0.0060499600000000, -0.0062097200000000, -0.0183875200000000 ] - [ -0.0060499600000000, 0.0062097200000000, -0.0183875200000000 ] - [ -0.0002318000000000, 0.0001768800000000, -0.0005730900000000 ] - [ -0.0013861500000000, 0.0009367600000000, -0.0014805200000000 ] - [ -0.0012324600000000, 0.0014992200000000, 0.0018912600000000 ] - [ 0.0003658900000000, -0.0007087700000000, -0.0002857700000000 ] - [ -0.0000692600000000, 0.0003458100000000, -0.0000648700000000 ] - [ 0.0013861500000000, -0.0009367600000000, -0.0014805200000000 ] - [ 0.0012603900000000, 0.0008234100000000, -0.0007029400000000 ] - [ -0.0003092100000000, -0.0001439200000000, 0.0007468700000000 ] - [ 0.0016201000000000, 0.0020279500000000, -0.0006647400000000 ] - [ -0.0002707600000000, 0.0007385700000000, -0.0001161300000000 ] - [ -0.0012656500000000, 0.0018094300000000, -0.0017094300000000 ] - [ 0.0012656500000000, -0.0018094300000000, -0.0017094300000000 ] - [ 0.0011724300000000, -0.0008578300000000, 0.0016314400000000 ] - [ -0.0003808900000000, -0.0008377900000000, -0.0009854800000000 ] - [ 0.0004976800000000, 0.0002047600000000, 0.0002479900000000 ] - [ -0.0004976800000000, -0.0002047600000000, 0.0002479900000000 ] - [ 0.0005122100000000, 0.0005761500000000, 0.0008412700000000 ] - [ 0.0006124700000000, 0.0010029300000000, -0.0002034700000000 ] - [ 0.0002192200000000, -0.0005477500000000, 0.0008243400000000 ] - [ -0.0017917000000000, -0.0002882300000000, -0.0047446400000000 ] - [ 0.0002550100000000, 0.0001736000000000, 0.0006593900000000 ] - [ 0.0008840800000000, 0.0000572100000000, -0.0009580900000000 ] - [ -0.0000734700000000, 0.0001361000000000, -0.0005052100000000 ] - [ -0.0009653300000000, -0.0000503600000000, 0.0011160200000000 ] - [ -0.0001242500000000, -0.0001332500000000, 0.0016433800000000 ] - [ -0.0007663300000000, 0.0004263400000000, -0.0064992500000000 ] - [ -0.0003698000000000, 0.0000459500000000, 0.0002058900000000 ] - [ 0.0010691000000000, 0.0000171000000000, 0.0005053000000000 ] - [ 0.0007663300000000, -0.0004263400000000, -0.0064992500000000 ] - [ 0.0000692600000000, -0.0003458100000000, -0.0000648700000000 ] - [ 0.0003507300000000, -0.0005104500000000, -0.0009978700000000 ] - [ -0.0000275500000000, -0.0003541300000000, 0.0023673100000000 ] - [ -0.0016201000000000, -0.0020279500000000, -0.0006647400000000 ] - [ 0.0000418300000000, -0.0002243200000000, -0.0005149900000000 ] - [ 0.0001455300000000, -0.0001995900000000, -0.0013484500000000 ] - [ -0.0001876900000000, 0.0000490600000000, 0.0002588200000000 ] - [ -0.0034991000000000, -0.0003985200000000, 0.0042825400000000 ] - [ 0.0000014300000000, 0.0001571300000000, -0.0003804900000000 ] - [ -0.0001896200000000, -0.0000701900000000, 0.0004957200000000 ] - [ 0.0023912000000000, -0.0018925600000000, -0.0108806200000000 ] - [ -0.0004015600000000, -0.0002515000000000, 0.0011349000000000 ] - [ 0.0000951700000000, -0.0000083900000000, -0.0001870000000000 ] - [ -0.0001595500000000, 0.0000070800000000, 0.0006430000000000 ] - [ 0.0001595500000000, -0.0000070800000000, 0.0006430000000000 ] - [ -0.0000951700000000, 0.0000083900000000, -0.0001870000000000 ] - [ -0.0002705800000000, -0.0003492100000000, 0.0007676600000000 ] - [ 0.0000551500000000, -0.0001550500000000, 0.0002888300000000 ] - [ -0.0000551500000000, 0.0001550500000000, 0.0002888300000000 ] - [ 0.0002705800000000, 0.0003492100000000, 0.0007676600000000 ] - [ -0.0000774000000000, 0.0005156500000000, 0.0008609600000000 ] - [ -0.0003658900000000, 0.0007087700000000, -0.0002857700000000 ] - [ 0.0012324600000000, -0.0014992200000000, 0.0018912600000000 ] - [ -0.0004338500000000, 0.0028947900000000, 0.0019656200000000 ] - [ 0.0000774000000000, -0.0005156500000000, 0.0008609600000000 ] - [ 0.0003092100000000, 0.0001439200000000, 0.0007468700000000 ] - [ -0.0012603900000000, -0.0008234100000000, -0.0007029400000000 ] - [ 0.0007301300000000, 0.0001619200000000, 0.0005414900000000 ] - [ -0.0011724300000000, 0.0008578300000000, 0.0016314400000000 ] - [ -0.0007952200000000, 0.0003502900000000, 0.0008124500000000 ] - [ 0.0007952200000000, -0.0003502900000000, 0.0008124500000000 ] - [ 0.0002707600000000, -0.0007385700000000, -0.0001161300000000 ] - [ -0.0005122100000000, -0.0005761500000000, 0.0008412700000000 ] - [ 0.0024672200000000, 0.0019686700000000, -0.0004495700000000 ] - [ -0.0024672200000000, -0.0019686700000000, -0.0004495700000000 ] - [ 0.0003808900000000, 0.0008377900000000, -0.0009854800000000 ] - [ -0.0002550100000000, -0.0001736000000000, 0.0006593900000000 ] - [ 0.0017917000000000, 0.0002882300000000, -0.0047446400000000 ] - [ -0.0002192200000000, 0.0005477500000000, 0.0008243400000000 ] - [ -0.0006124700000000, -0.0010029300000000, -0.0002034700000000 ] - [ 0.0001242500000000, 0.0001332500000000, 0.0016433800000000 ] - [ 0.0009653300000000, 0.0000503600000000, 0.0011160200000000 ] - [ 0.0000734700000000, -0.0001361000000000, -0.0005052100000000 ] - [ -0.0008840800000000, -0.0000572100000000, -0.0009580900000000 ] - [ 0.0004274600000000, 0.0002087800000000, 0.0008684600000000 ] - [ -0.0010691000000000, -0.0000171000000000, 0.0005053000000000 ] - [ 0.0003698000000000, -0.0000459500000000, 0.0002058900000000 ] - [ -0.0004274600000000, -0.0002087800000000, 0.0008684600000000 ] - [ 0.0004338500000000, -0.0028947900000000, 0.0019656200000000 ] - [ 0.0000275500000000, 0.0003541300000000, 0.0023673100000000 ] - [ -0.0003507300000000, 0.0005104500000000, -0.0009978700000000 ] - [ -0.0007301300000000, -0.0001619200000000, 0.0005414900000000 ] - [ 0.0015899500000000, -0.0006030100000000, 0.0006952300000000 ] - [ 0.0007061900000000, 0.0003986300000000, -0.0018440700000000 ] - [ -0.0006324100000000, 0.0002998800000000, 0.0012524600000000 ] - [ -0.0015899500000000, 0.0006030100000000, 0.0006952300000000 ] - [ 0.0004466400000000, 0.0024658500000000, 0.0015090900000000 ] - [ -0.0043786300000000, -0.0035771800000000, -0.0019036000000000 ] - [ 0.0000474500000000, 0.0010149900000000, -0.0011765400000000 ] - [ -0.0004466400000000, -0.0024658500000000, 0.0015090900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000041200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0371504400000000 ] - [ 0.0030733200000000, 0.0148052000000000, 0.0055664000000000 ] - [ 0.0001901600000000, -0.0000382900000000, 0.0007957400000000 ] - [ -0.0030984100000000, 0.0003909800000000, -0.0030547800000000 ] - [ 0.0001505700000000, -0.0002422500000000, -0.0006166200000000 ] - [ 0.0016118000000000, -0.0009140600000000, -0.0025700600000000 ] - [ 0.0006324100000000, -0.0002998800000000, 0.0012524600000000 ] - [ -0.0007061900000000, -0.0003986300000000, -0.0018440700000000 ] - [ -0.0016118000000000, 0.0009140600000000, -0.0025700600000000 ] - [ -0.0001297400000000, 0.0000169200000000, -0.0015170500000000 ] - [ -0.0000474500000000, -0.0010149900000000, -0.0011765400000000 ] - [ 0.0043786300000000, 0.0035771800000000, -0.0019036000000000 ] - [ 0.0001297400000000, -0.0000169200000000, -0.0015170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334980400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014504700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001233600000000 ] - [ -0.0001505700000000, 0.0002422500000000, -0.0006166200000000 ] - [ 0.0030984100000000, -0.0003909800000000, -0.0030547800000000 ] - [ -0.0001901600000000, 0.0000382900000000, 0.0007957400000000 ] - [ -0.0030733200000000, -0.0148052000000000, 0.0055664000000000 ] - [ 0.0000706900000000, -0.0017583400000000, -0.0018890200000000 ] - [ -0.0001740400000000, 0.0000536000000000, -0.0004281900000000 ] - [ 0.0087763400000000, 0.0019997700000000, 0.0028029600000000 ] - [ 0.0001942000000000, 0.0002109900000000, 0.0003507100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1244747900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006458600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006909100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043855500000000 ] - [ -0.0004158600000000, -0.0002844300000000, -0.0008182100000000 ] - [ -0.0038613800000000, 0.0019838400000000, 0.0010187900000000 ] - [ 0.0038613800000000, -0.0019838400000000, 0.0010187900000000 ] - [ 0.0021557800000000, -0.0062846700000000, 0.0015857800000000 ] - [ -0.0005279200000000, -0.0003459200000000, -0.0014295300000000 ] - [ 0.0009671400000000, 0.0007600500000000, -0.0012621000000000 ] - [ -0.0009671400000000, -0.0007600500000000, -0.0012621000000000 ] - [ 0.0004845900000000, -0.0004050200000000, 0.0010241700000000 ] - [ -0.0001942000000000, -0.0002109900000000, 0.0003507100000000 ] - [ -0.0087763400000000, -0.0019997700000000, 0.0028029600000000 ] - [ 0.0001740400000000, -0.0000536000000000, -0.0004281900000000 ] - [ -0.0000706900000000, 0.0017583400000000, -0.0018890200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009883700000000 ] - [ -0.0021557800000000, 0.0062846700000000, 0.0015857800000000 ] - [ 0.0003561900000000, 0.0005238300000000, -0.0008460900000000 ] - [ -0.0003561900000000, -0.0005238300000000, -0.0008460900000000 ] - [ 0.0004158600000000, 0.0002844300000000, -0.0008182100000000 ] - [ -0.0004845900000000, 0.0004050200000000, 0.0010241700000000 ] - [ -0.0002006600000000, 0.0006787000000000, 0.0008177300000000 ] - [ 0.0002006600000000, -0.0006787000000000, 0.0008177300000000 ] - [ 0.0005279200000000, 0.0003459200000000, -0.0014295300000000 ]- atom: 137 displacement: [ 0.0100000000000000, 0.0000000000160552, 0.0000000000000000 ] forces: - [ -0.0025088500000000, 0.0021262700000000, -0.0006317600000000 ] - [ 0.0007909400000000, -0.0009046200000000, -0.0007982900000000 ] - [ -0.0006321100000000, -0.0002791800000000, -0.0005633300000000 ] - [ 0.0010149000000000, 0.0003699900000000, -0.0008775800000000 ] - [ 0.0063209400000000, -0.0004016900000000, 0.0009292300000000 ] - [ -0.0018267900000000, 0.0008593200000000, -0.0006440000000000 ] - [ 0.0014762700000000, 0.0010912700000000, -0.0014342400000000 ] - [ -0.0002504500000000, -0.0003866100000000, 0.0002564400000000 ] - [ -0.0001672800000000, 0.0002987100000000, 0.0002867800000000 ] - [ 0.0004827100000000, -0.0000572000000000, 0.0003516200000000 ] - [ 0.0002120900000000, -0.0003656200000000, 0.0000240000000000 ] - [ -0.0010006600000000, 0.0000041000000000, 0.0002632400000000 ] - [ 0.0016679400000000, -0.0007382300000000, 0.0016382900000000 ] - [ -0.0001420600000000, -0.0000083700000000, 0.0000864800000000 ] - [ -0.0006240100000000, 0.0002823200000000, 0.0002884300000000 ] - [ 0.0003123200000000, -0.0002643700000000, 0.0005830400000000 ] - [ 0.0011192700000000, 0.0000867900000000, -0.0004442000000000 ] - [ 0.0005742200000000, 0.0009581800000000, 0.0010949500000000 ] - [ 0.0040944900000000, -0.0005323200000000, -0.0006155900000000 ] - [ 0.0011461400000000, 0.0002001600000000, -0.0000124600000000 ] - [ -0.0005442200000000, -0.0000683000000000, -0.0000316700000000 ] - [ 0.0007084600000000, 0.0001631900000000, -0.0002243800000000 ] - [ 0.0001136200000000, 0.0002361600000000, 0.0002320100000000 ] - [ -0.0004499900000000, -0.0000161800000000, -0.0000965200000000 ] - [ 0.0006725400000000, 0.0002646400000000, 0.0002031200000000 ] - [ -0.0009000200000000, 0.0002329300000000, 0.0000915700000000 ] - [ -0.0000896400000000, -0.0002249900000000, -0.0010286100000000 ] - [ 0.0064854200000000, 0.0012029200000000, 0.0015087800000000 ] - [ 0.0000639400000000, -0.0004542600000000, -0.0002062400000000 ] - [ -0.0014630600000000, 0.0001127900000000, -0.0027625900000000 ] - [ 0.0005183800000000, -0.0003734900000000, -0.0000368600000000 ] - [ 0.0011490700000000, 0.0004423000000000, -0.0001206200000000 ] - [ -0.0010312200000000, -0.0002101500000000, 0.0005857600000000 ] - [ 0.0017982300000000, -0.0015630900000000, 0.0008994200000000 ] - [ -0.0001595000000000, 0.0009101200000000, -0.0001281000000000 ] - [ 0.0305603100000000, 0.0131762600000000, -0.0106029400000000 ] - [ 0.0004311800000000, 0.0003893200000000, -0.0002530100000000 ] - [ -0.0002153700000000, -0.0011915500000000, -0.0017413800000000 ] - [ 0.0013913700000000, 0.0000953000000000, 0.0003592400000000 ] - [ -0.0011366000000000, -0.0001287000000000, -0.0003273000000000 ] - [ -0.0007186000000000, 0.0001575500000000, -0.0002340100000000 ] - [ 0.0000562700000000, -0.0001214000000000, 0.0003826000000000 ] - [ 0.0016621300000000, 0.0021012500000000, -0.0009589600000000 ] - [ -0.0003038200000000, -0.0001403400000000, 0.0000071300000000 ] - [ -0.0000229000000000, -0.0001986400000000, -0.0002156800000000 ] - [ 0.0007696200000000, -0.0012309100000000, -0.0016039300000000 ] - [ 0.0005446900000000, 0.0020308400000000, 0.0027408000000000 ] - [ -0.0002013900000000, -0.0000006500000000, 0.0000678900000000 ] - [ -0.0000584700000000, -0.0000264000000000, -0.0005229100000000 ] - [ -0.0005368600000000, -0.0006410400000000, -0.0010940300000000 ] - [ 0.0007508300000000, -0.0019726600000000, -0.0020037300000000 ] - [ -0.0024860500000000, 0.0002539600000000, -0.0000699200000000 ] - [ -0.0007349700000000, 0.0001699800000000, 0.0000423300000000 ] - [ 0.0000587800000000, 0.0004557500000000, 0.0001340700000000 ] - [ -0.0003833100000000, 0.0004941500000000, -0.0000332900000000 ] - [ 0.0000170000000000, -0.0016464700000000, -0.0004598400000000 ] - [ 0.0001476000000000, 0.0018639900000000, 0.0014203500000000 ] - [ -0.0020710300000000, 0.0001300800000000, -0.0003135700000000 ] - [ -0.0013601300000000, -0.0014640700000000, 0.0001280400000000 ] - [ 0.0007948100000000, 0.0010647100000000, 0.0011231600000000 ] - [ -0.0011973400000000, -0.0006926400000000, 0.0004059000000000 ] - [ -0.0003026200000000, 0.0008052900000000, 0.0002190600000000 ] - [ 0.0044712800000000, -0.0035360700000000, -0.0005382100000000 ] - [ -0.0015820000000000, -0.0009320700000000, 0.0013612900000000 ] - [ -0.0003580200000000, 0.0001959000000000, -0.0000700300000000 ] - [ -0.0003184800000000, 0.0004055400000000, 0.0000927000000000 ] - [ -0.0004988400000000, -0.0006279300000000, -0.0001945200000000 ] - [ -0.0004459800000000, 0.0000820000000000, -0.0000844400000000 ] - [ 0.0231551600000000, 0.0070829500000000, -0.0066636200000000 ] - [ -0.0017959400000000, -0.0004243500000000, -0.0000978200000000 ] - [ -0.0017443100000000, 0.0000761200000000, 0.0012409100000000 ] - [ 0.0012509000000000, 0.0001735800000000, 0.0000929800000000 ] - [ -0.0007617700000000, -0.0001994700000000, 0.0000457700000000 ] - [ 0.0065617600000000, -0.0014870300000000, -0.0011746300000000 ] - [ 0.0001187900000000, -0.0000928700000000, -0.0000582700000000 ] - [ -0.0001914500000000, -0.0001320600000000, 0.0000543800000000 ] - [ -0.0043482100000000, -0.0029585000000000, -0.0012054400000000 ] - [ 0.0001737500000000, 0.0001783100000000, -0.0002673500000000 ] - [ -0.0029066300000000, 0.0005264200000000, -0.0000410400000000 ] - [ -0.0005829000000000, 0.0002695000000000, 0.0000151100000000 ] - [ 0.0005108100000000, -0.0004893300000000, 0.0003331700000000 ] - [ -0.0006033600000000, -0.0006999100000000, 0.0009007200000000 ] - [ -0.0015806800000000, 0.0014985900000000, -0.0003650500000000 ] - [ 0.0001508400000000, 0.0002383600000000, 0.0004063900000000 ] - [ -0.0047877400000000, 0.0019681200000000, 0.0017540400000000 ] - [ -0.0006708300000000, -0.0000626200000000, -0.0005727300000000 ] - [ -0.0004926300000000, 0.0000393800000000, -0.0001755300000000 ] - [ 0.0006793500000000, -0.0003527400000000, -0.0002396600000000 ] - [ 0.0007598100000000, 0.0003259800000000, 0.0001038700000000 ] - [ -0.0024517200000000, -0.0011429600000000, 0.0010509700000000 ] - [ -0.0005038100000000, 0.0002321100000000, -0.0004211200000000 ] - [ -0.0005979200000000, 0.0005325700000000, -0.0067960300000000 ] - [ -0.0046861400000000, -0.0007276300000000, -0.0042204600000000 ] - [ -0.0005685900000000, -0.0007693200000000, -0.0004960900000000 ] - [ -0.0005608500000000, 0.0003651400000000, 0.0000853100000000 ] - [ -0.0054954000000000, 0.0026662700000000, 0.0008181300000000 ] - [ -0.0010461600000000, 0.0003791900000000, 0.0010465400000000 ] - [ -0.0028782600000000, -0.0005275200000000, -0.0035905400000000 ] - [ 0.0015317400000000, 0.0020296300000000, 0.0047341100000000 ] - [ -0.0005116300000000, -0.0003141100000000, 0.0007869600000000 ] - [ -0.0005266300000000, -0.0002185100000000, -0.0006674300000000 ] - [ 0.0001449900000000, -0.0017189400000000, 0.0002331100000000 ] - [ -0.0005695600000000, 0.0013767900000000, -0.0013421600000000 ] - [ 0.0020532100000000, 0.0002004300000000, -0.0006187400000000 ] - [ 0.0006384000000000, 0.0004981700000000, 0.0005361300000000 ] - [ -0.0003937100000000, -0.0010244800000000, 0.0009085400000000 ] - [ -0.0000983800000000, 0.0006176200000000, -0.0009185000000000 ] - [ 0.0005519200000000, -0.0001728200000000, -0.0003347200000000 ] - [ 0.0033889300000000, -0.0006495100000000, 0.0030591800000000 ] - [ -0.0006143600000000, 0.0003841000000000, 0.0005140600000000 ] - [ -0.0053397100000000, -0.0131453900000000, -0.0042598600000000 ] - [ -0.0061852600000000, 0.0029837800000000, 0.0120011600000000 ] - [ 0.0020225900000000, 0.0003629800000000, 0.0007830800000000 ] - [ 0.0003915500000000, 0.0001958800000000, 0.0005294300000000 ] - [ 0.0007607600000000, -0.0000753000000000, 0.0011676300000000 ] - [ 0.0327196600000000, -0.0048764100000000, 0.0029963600000000 ] - [ 0.0296238700000000, 0.0008106200000000, 0.0027680600000000 ] - [ 0.0031012200000000, -0.0015765600000000, 0.0006962600000000 ] - [ 0.0026162600000000, 0.0006930700000000, -0.0017702700000000 ] - [ -0.0009234400000000, 0.0000719900000000, -0.0007828000000000 ] - [ -0.0014173600000000, 0.0037901100000000, 0.0016091100000000 ] - [ 0.0030837000000000, -0.0010006600000000, 0.0006099800000000 ] - [ 0.0024790000000000, 0.0011410500000000, -0.0004105400000000 ] - [ 0.0010165200000000, -0.0042592400000000, -0.0026548000000000 ] - [ -0.0006649500000000, 0.0001768200000000, 0.0002789600000000 ] - [ 0.0031514600000000, 0.0029131300000000, -0.0004016800000000 ] - [ 0.0007384300000000, -0.0002690900000000, 0.0001778200000000 ] - [ 0.0007174100000000, -0.0001497900000000, 0.0002158600000000 ] - [ 0.0018331400000000, 0.0000002800000000, -0.0015652500000000 ] - [ -0.0028232600000000, 0.0094596500000000, 0.0012473700000000 ] - [ -0.0004407900000000, -0.0001987600000000, 0.0000544600000000 ] - [ -0.0023020500000000, -0.0016928500000000, -0.0098068500000000 ] - [ 0.0006921900000000, -0.0002276400000000, -0.0000374900000000 ] - [ -0.0017616700000000, 0.0061687500000000, -0.0024320500000000 ] - [ -0.0006846900000000, 0.0003159400000000, 0.0009827200000000 ] - [ 0.0015448000000000, -0.0012036000000000, -0.0002236700000000 ] - [ -0.1163119300000000, -0.0162752600000000, 0.0230455600000000 ] - [ -0.0009329300000000, -0.0019781700000000, 0.0053241100000000 ] - [ 0.0000074900000000, 0.0004184300000000, -0.0004435800000000 ] - [ 0.0001972800000000, 0.0005380300000000, -0.0001014000000000 ] - [ -0.0001970300000000, 0.0006388200000000, 0.0001283100000000 ] - [ -0.0011083200000000, -0.0005592200000000, -0.0001589100000000 ] - [ 0.0019927800000000, 0.0005613300000000, 0.0013102400000000 ] - [ -0.0005283100000000, -0.0005123300000000, 0.0002050800000000 ] - [ -0.0003716200000000, -0.0001486800000000, -0.0001596700000000 ] - [ 0.0003971900000000, 0.0001727800000000, -0.0000342300000000 ] - [ 0.0017404700000000, -0.0014594000000000, 0.0001245600000000 ] - [ 0.0003593000000000, 0.0000593000000000, -0.0001468100000000 ] - [ -0.0008961000000000, -0.0045540400000000, 0.0016960400000000 ] - [ 0.0006420300000000, 0.0002770400000000, -0.0009762500000000 ] - [ 0.0015849600000000, 0.0011197300000000, 0.0009365700000000 ] - [ -0.0007937800000000, -0.0001941400000000, -0.0003050800000000 ] - [ 0.0004704000000000, -0.0005626100000000, -0.0001566300000000 ] - [ 0.0013012400000000, -0.0004188100000000, 0.0000140300000000 ] - [ -0.0020293200000000, 0.0019748000000000, -0.0061136600000000 ] - [ 0.0001776500000000, 0.0004020500000000, -0.0001812800000000 ] - [ -0.0001375400000000, 0.0005746800000000, 0.0003050900000000 ] - [ 0.0010896900000000, -0.0005816600000000, -0.0010174700000000 ] - [ -0.0004584100000000, 0.0005803800000000, 0.0003025600000000 ] - [ 0.0044995500000000, -0.0002902900000000, 0.0003474100000000 ]- atom: 137 displacement: [ -0.0100000000000000, -0.0000000000160552, 0.0000000000000000 ] forces: - [ 0.0024299500000000, -0.0025868300000000, -0.0000813600000000 ] - [ -0.0003284000000000, 0.0008277800000000, 0.0000892500000000 ] - [ 0.0001708300000000, 0.0003572700000000, -0.0001491700000000 ] - [ -0.0009326700000000, 0.0000895100000000, 0.0001608800000000 ] - [ -0.0062316800000000, 0.0008865600000000, -0.0002221500000000 ] - [ 0.0013654000000000, -0.0007832800000000, 0.0013613300000000 ] - [ -0.0010074000000000, -0.0011683500000000, 0.0021412400000000 ] - [ 0.0001669400000000, -0.0000733300000000, 0.0004576900000000 ] - [ 0.0005501000000000, -0.0000721900000000, -0.0004635200000000 ] - [ -0.0007096000000000, 0.0004405300000000, -0.0005260800000000 ] - [ 0.0000170400000000, -0.0000181900000000, -0.0001993600000000 ] - [ 0.0006160200000000, -0.0002322400000000, -0.0004409600000000 ] - [ -0.0020481600000000, 0.0005086600000000, -0.0014592600000000 ] - [ 0.0003679000000000, -0.0003745700000000, 0.0000885500000000 ] - [ 0.0003962500000000, 0.0001013300000000, -0.0001137100000000 ] - [ 0.0000718100000000, 0.0004913700000000, -0.0004080900000000 ] - [ -0.0004051100000000, -0.0000456800000000, 0.0002937000000000 ] - [ -0.0006288100000000, -0.0002437600000000, -0.0012447200000000 ] - [ -0.0040641800000000, -0.0001841600000000, 0.0004226500000000 ] - [ -0.0008635800000000, 0.0001498400000000, -0.0002242500000000 ] - [ -0.0001712900000000, 0.0000287500000000, -0.0001175700000000 ] - [ -0.0006716000000000, -0.0008820400000000, 0.0003745700000000 ] - [ -0.0001536600000000, 0.0004808400000000, -0.0000826300000000 ] - [ 0.0011655900000000, 0.0000552500000000, 0.0002437600000000 ] - [ -0.0006392700000000, 0.0001879300000000, -0.0000088400000000 ] - [ 0.0004498600000000, -0.0001983300000000, 0.0001066000000000 ] - [ 0.0005219800000000, 0.0001940700000000, 0.0012279300000000 ] - [ -0.0069819000000000, -0.0012894700000000, -0.0014914700000000 ] - [ -0.0001012700000000, -0.0000030300000000, 0.0000102600000000 ] - [ 0.0019102600000000, -0.0001460400000000, 0.0025540100000000 ] - [ -0.0009742300000000, 0.0004099400000000, -0.0001593900000000 ] - [ -0.0011192800000000, 0.0000123200000000, -0.0000775500000000 ] - [ 0.0003885500000000, -0.0003946600000000, 0.0001678000000000 ] - [ -0.0011988000000000, 0.0009220200000000, -0.0001432300000000 ] - [ -0.0004457200000000, -0.0002696000000000, 0.0008836600000000 ] - [ -0.0283062400000000, -0.0117053100000000, 0.0105774600000000 ] - [ 0.0002110900000000, 0.0002149000000000, -0.0005022400000000 ] - [ -0.0003979900000000, 0.0018331500000000, 0.0009995700000000 ] - [ -0.0007907400000000, -0.0007262300000000, -0.0011086100000000 ] - [ 0.0004955200000000, -0.0004773800000000, -0.0004261700000000 ] - [ 0.0009885300000000, 0.0001915100000000, 0.0004828200000000 ] - [ -0.0004070100000000, 0.0003946500000000, -0.0001351900000000 ] - [ -0.0013194500000000, -0.0023813000000000, 0.0012079800000000 ] - [ 0.0000294000000000, -0.0002081600000000, 0.0002425000000000 ] - [ -0.0002485900000000, -0.0001507900000000, -0.0000299100000000 ] - [ -0.0004225100000000, 0.0009455000000000, 0.0013454100000000 ] - [ -0.0009038500000000, -0.0017652400000000, -0.0030068900000000 ] - [ -0.0005168200000000, -0.0000377400000000, 0.0000817000000000 ] - [ -0.0000175300000000, -0.0004331000000000, -0.0001906600000000 ] - [ 0.0009956900000000, 0.0005642700000000, 0.0003839700000000 ] - [ -0.0011992900000000, 0.0020371600000000, 0.0012836800000000 ] - [ 0.0025651000000000, 0.0002023600000000, -0.0006422400000000 ] - [ 0.0008122800000000, 0.0002904000000000, 0.0006715500000000 ] - [ -0.0005166300000000, -0.0003745000000000, 0.0005799900000000 ] - [ 0.0008447500000000, -0.0005738400000000, 0.0007476600000000 ] - [ -0.0000864400000000, 0.0011829700000000, 0.0011729300000000 ] - [ 0.0002454300000000, -0.0016221000000000, -0.0015939200000000 ] - [ 0.0018401100000000, 0.0002579900000000, 0.0001348400000000 ] - [ 0.0015884800000000, 0.0010833900000000, -0.0003043800000000 ] - [ -0.0011744600000000, -0.0012979400000000, -0.0013106200000000 ] - [ 0.0008128200000000, 0.0004661800000000, -0.0002322300000000 ] - [ 0.0005525000000000, -0.0011950800000000, -0.0000409300000000 ] - [ -0.0047588500000000, 0.0039077500000000, 0.0007226400000000 ] - [ 0.0019638700000000, 0.0011590400000000, -0.0011840200000000 ] - [ 0.0010757800000000, -0.0001557000000000, -0.0000779300000000 ] - [ 0.0002795800000000, 0.0003095000000000, -0.0002413400000000 ] - [ 0.0005383800000000, -0.0000886000000000, 0.0000451600000000 ] - [ 0.0007197200000000, 0.0002673100000000, -0.0001643000000000 ] - [ -0.0253482000000000, -0.0078296400000000, 0.0070848200000000 ] - [ 0.0018355200000000, -0.0002897000000000, 0.0002426500000000 ] - [ 0.0017024600000000, 0.0006364300000000, -0.0010905200000000 ] - [ -0.0005369800000000, -0.0001380300000000, 0.0000562200000000 ] - [ 0.0007979500000000, 0.0006526600000000, 0.0001507000000000 ] - [ -0.0069939100000000, 0.0015031100000000, 0.0013506500000000 ] - [ 0.0003382000000000, 0.0000575100000000, 0.0002544800000000 ] - [ 0.0001575500000000, -0.0003191400000000, 0.0001431600000000 ] - [ 0.0043107000000000, 0.0024945700000000, 0.0010160000000000 ] - [ 0.0002778800000000, -0.0002151100000000, 0.0000679100000000 ] - [ 0.0024587700000000, -0.0004970700000000, -0.0001504700000000 ] - [ 0.0006178900000000, 0.0001830200000000, -0.0002122100000000 ] - [ -0.0011522200000000, -0.0001139700000000, 0.0004206400000000 ] - [ 0.0012092500000000, 0.0000589400000000, -0.0001473900000000 ] - [ 0.0009731700000000, -0.0008531400000000, 0.0011159300000000 ] - [ 0.0004901300000000, 0.0003660300000000, 0.0003475000000000 ] - [ 0.0054364300000000, -0.0013621700000000, -0.0025113100000000 ] - [ 0.0000673100000000, 0.0007027100000000, -0.0001832900000000 ] - [ 0.0010990100000000, -0.0006757700000000, -0.0005754700000000 ] - [ -0.0013156100000000, -0.0002539900000000, -0.0005124100000000 ] - [ -0.0004871100000000, 0.0000222200000000, 0.0001434300000000 ] - [ 0.0021087600000000, 0.0014206300000000, -0.0008014500000000 ] - [ 0.0008522100000000, -0.0005044600000000, 0.0006667200000000 ] - [ 0.0005240500000000, -0.0009232300000000, 0.0071269100000000 ] - [ 0.0044317600000000, 0.0003786000000000, 0.0039878300000000 ] - [ 0.0009188100000000, 0.0004928300000000, 0.0002480300000000 ] - [ 0.0002117700000000, -0.0000896400000000, -0.0003344100000000 ] - [ 0.0047575000000000, -0.0027054200000000, -0.0006644000000000 ] - [ 0.0022065800000000, 0.0001847700000000, 0.0004825700000000 ] - [ 0.0023715600000000, 0.0016652400000000, 0.0051265200000000 ] - [ -0.0009327900000000, -0.0031751800000000, -0.0032216900000000 ] - [ -0.0006515000000000, -0.0002455000000000, 0.0007410500000000 ] - [ -0.0006308600000000, -0.0003409200000000, -0.0008610000000000 ] - [ 0.0004154700000000, 0.0005635600000000, -0.0017651000000000 ] - [ 0.0000101100000000, -0.0002159600000000, -0.0001841400000000 ] - [ -0.0008927400000000, 0.0003606400000000, -0.0009108300000000 ] - [ -0.0006378900000000, -0.0004982000000000, -0.0005371000000000 ] - [ 0.0003939800000000, 0.0010205300000000, -0.0009085500000000 ] - [ 0.0000987300000000, -0.0006160800000000, 0.0009174300000000 ] - [ -0.0005501500000000, 0.0001732100000000, 0.0003369200000000 ] - [ -0.0033864800000000, 0.0006531700000000, -0.0030834200000000 ] - [ 0.0006172300000000, -0.0003805500000000, -0.0005081000000000 ] - [ 0.0053754900000000, 0.0131977900000000, 0.0042780700000000 ] - [ 0.0061087900000000, -0.0029568200000000, -0.0119315900000000 ] - [ -0.0008636700000000, 0.0001976400000000, 0.0007450200000000 ] - [ -0.0009532400000000, 0.0009612400000000, 0.0009986500000000 ] - [ -0.0002050700000000, -0.0010841600000000, 0.0003591800000000 ] - [ -0.0344188200000000, 0.0043553300000000, -0.0014622700000000 ] - [ -0.0303438900000000, -0.0012736300000000, -0.0043262600000000 ] - [ -0.0025340000000000, 0.0004111800000000, -0.0022187400000000 ] - [ -0.0031798900000000, 0.0004775800000000, 0.0002424300000000 ] - [ 0.0020860400000000, 0.0004863100000000, -0.0007429000000000 ] - [ 0.0013799300000000, -0.0037781500000000, -0.0016197100000000 ] - [ -0.0030829400000000, 0.0010035200000000, -0.0006131400000000 ] - [ -0.0024750000000000, -0.0011411800000000, 0.0004143100000000 ] - [ -0.0010622100000000, 0.0042470100000000, 0.0026773100000000 ] - [ 0.0006621200000000, -0.0001802600000000, -0.0002813700000000 ] - [ -0.0031547300000000, -0.0029008400000000, 0.0003955000000000 ] - [ -0.0007401400000000, 0.0002667200000000, -0.0001762000000000 ] - [ -0.0007166900000000, 0.0001503100000000, -0.0002171700000000 ] - [ -0.0018307500000000, -0.0000014000000000, 0.0015711200000000 ] - [ 0.0028575100000000, -0.0094994700000000, -0.0012529500000000 ] - [ 0.0004415800000000, 0.0001983700000000, -0.0000555500000000 ] - [ 0.0022708500000000, 0.0016862300000000, 0.0097695500000000 ] - [ -0.0006916500000000, 0.0002279800000000, -0.0008807400000000 ] - [ 0.0017545000000000, -0.0061563100000000, 0.0015164700000000 ] - [ 0.0006808200000000, -0.0003152700000000, -0.0000654400000000 ] - [ -0.0015456100000000, 0.0012082600000000, 0.0011427400000000 ] - [ 0.1166082600000000, 0.0145521400000000, -0.0230461700000000 ] - [ 0.0020593000000000, 0.0019801800000000, -0.0057036100000000 ] - [ -0.0011230600000000, -0.0004276200000000, 0.0000814500000000 ] - [ -0.0002046800000000, 0.0005757200000000, -0.0002597700000000 ] - [ 0.0001898900000000, 0.0004736900000000, 0.0002331600000000 ] - [ -0.0000017100000000, 0.0005491000000000, 0.0005219900000000 ] - [ -0.0008776200000000, -0.0005468200000000, -0.0009444900000000 ] - [ 0.0005387200000000, -0.0006012600000000, 0.0001566500000000 ] - [ 0.0003703200000000, 0.0001511400000000, 0.0001608700000000 ] - [ -0.0003979900000000, -0.0001717900000000, 0.0000346500000000 ] - [ -0.0017418400000000, 0.0014485900000000, -0.0001255900000000 ] - [ -0.0003585600000000, -0.0000593900000000, 0.0001473600000000 ] - [ 0.0008765600000000, 0.0045352100000000, -0.0026223000000000 ] - [ -0.0006409500000000, -0.0002770700000000, 0.0000602500000000 ] - [ -0.0015854900000000, -0.0011251900000000, -0.0000218700000000 ] - [ 0.0007893800000000, 0.0001929700000000, 0.0012225300000000 ] - [ -0.0004600200000000, -0.0005507200000000, -0.0002049000000000 ] - [ -0.0001872400000000, 0.0004272600000000, -0.0003747900000000 ] - [ 0.0009304700000000, -0.0019840100000000, 0.0057698300000000 ] - [ -0.0001909500000000, 0.0007136900000000, -0.0001812200000000 ] - [ 0.0001229900000000, 0.0005392100000000, 0.0000577800000000 ] - [ -0.0022026700000000, 0.0005680200000000, 0.0013725600000000 ] - [ 0.0015764100000000, -0.0005692100000000, 0.0000592100000000 ] - [ -0.0044876000000000, -0.0008225800000000, 0.0000164000000000 ]- atom: 137 displacement: [ -0.0000000000160552, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019596000000000, -0.0017192000000000, -0.0000912900000000 ] - [ -0.0003633800000000, -0.0032620600000000, -0.0028727800000000 ] - [ -0.0004719000000000, -0.0004982000000000, -0.0004866000000000 ] - [ 0.0000128700000000, 0.0001375300000000, -0.0004100300000000 ] - [ -0.0029874000000000, -0.0052567400000000, -0.0018912900000000 ] - [ 0.0006275400000000, 0.0005318000000000, 0.0012846500000000 ] - [ 0.0002650600000000, 0.0011511500000000, 0.0012245000000000 ] - [ -0.0002918400000000, -0.0001722800000000, 0.0003168500000000 ] - [ 0.0005135100000000, -0.0002777000000000, -0.0004191000000000 ] - [ -0.0000874400000000, -0.0002446800000000, 0.0000507900000000 ] - [ -0.0002050700000000, -0.0000762500000000, 0.0000898900000000 ] - [ -0.0001115700000000, 0.0000182900000000, -0.0001979600000000 ] - [ -0.0002928300000000, -0.0001396900000000, 0.0017782500000000 ] - [ 0.0002444900000000, -0.0000592400000000, 0.0000673000000000 ] - [ -0.0000389900000000, 0.0000382600000000, 0.0000051500000000 ] - [ -0.0001295900000000, -0.0005325000000000, 0.0004370500000000 ] - [ 0.0003939900000000, 0.0006896200000000, -0.0002757400000000 ] - [ 0.0009479300000000, 0.0015787100000000, -0.0005020400000000 ] - [ 0.0001448700000000, 0.0046197300000000, -0.0003490500000000 ] - [ 0.0000405200000000, 0.0008983600000000, -0.0013713400000000 ] - [ -0.0003129400000000, -0.0004356800000000, -0.0001010700000000 ] - [ -0.0004182200000000, -0.0017347600000000, 0.0004313200000000 ] - [ -0.0003882700000000, -0.0009148300000000, 0.0000709900000000 ] - [ 0.0002596200000000, 0.0003777600000000, 0.0000413700000000 ] - [ 0.0001057400000000, 0.0010008700000000, -0.0000400300000000 ] - [ 0.0000034200000000, -0.0004256800000000, 0.0000279800000000 ] - [ -0.0008502600000000, 0.0010520100000000, -0.0002279700000000 ] - [ 0.0019234200000000, 0.0069383200000000, -0.0010611500000000 ] - [ -0.0002306600000000, -0.0008849700000000, -0.0001762900000000 ] - [ 0.0003173900000000, 0.0008013800000000, 0.0004491400000000 ] - [ 0.0001172900000000, -0.0012302400000000, 0.0001501100000000 ] - [ 0.0006758200000000, -0.0037272800000000, -0.0001661200000000 ] - [ -0.0003431400000000, 0.0000356200000000, 0.0004252300000000 ] - [ -0.0009454100000000, -0.0022838000000000, 0.0032290400000000 ] - [ 0.0000906200000000, -0.0001449600000000, 0.0012498300000000 ] - [ 0.0106323100000000, 0.0097054200000000, -0.0060474900000000 ] - [ 0.0005826700000000, -0.0003448100000000, -0.0009404600000000 ] - [ -0.0018280200000000, 0.0002040900000000, -0.0023530300000000 ] - [ 0.0003578200000000, -0.0004227600000000, -0.0014593200000000 ] - [ -0.0000125200000000, -0.0010078500000000, -0.0003993100000000 ] - [ 0.0000758400000000, 0.0005710100000000, 0.0002280200000000 ] - [ -0.0005721700000000, 0.0000393100000000, 0.0010199800000000 ] - [ 0.0012065400000000, -0.0028716300000000, 0.0027277700000000 ] - [ -0.0001137900000000, -0.0005828900000000, 0.0001984600000000 ] - [ -0.0004148800000000, -0.0009135900000000, -0.0006759700000000 ] - [ 0.0001075200000000, -0.0001381800000000, -0.0010535100000000 ] - [ 0.0019446900000000, -0.0004820600000000, -0.0031712000000000 ] - [ -0.0002334100000000, -0.0005891500000000, -0.0000198700000000 ] - [ 0.0002752100000000, -0.0001689400000000, -0.0003291500000000 ] - [ 0.0000289300000000, 0.0002701000000000, -0.0003987400000000 ] - [ -0.0017637100000000, 0.0017545400000000, -0.0026409000000000 ] - [ 0.0002424900000000, 0.0003083000000000, -0.0004975200000000 ] - [ 0.0000224000000000, 0.0002067100000000, 0.0002667700000000 ] - [ -0.0000167800000000, -0.0005522000000000, 0.0007187800000000 ] - [ 0.0004233200000000, -0.0006652600000000, 0.0007353800000000 ] - [ -0.0036037800000000, -0.0013204900000000, 0.0006803000000000 ] - [ 0.0027820700000000, 0.0016323200000000, -0.0034162500000000 ] - [ -0.0005486400000000, 0.0005942200000000, -0.0002173600000000 ] - [ -0.0008589800000000, -0.0007107400000000, 0.0001606600000000 ] - [ 0.0001506700000000, -0.0032176100000000, -0.0037831100000000 ] - [ -0.0003610200000000, -0.0004367000000000, 0.0003166400000000 ] - [ 0.0057626200000000, -0.0041943600000000, 0.0003770700000000 ] - [ -0.0032924600000000, 0.0229098300000000, 0.0014518800000000 ] - [ -0.0005604800000000, 0.0002344500000000, 0.0006797500000000 ] - [ 0.0010770200000000, -0.0008978400000000, 0.0000105900000000 ] - [ 0.0003299500000000, -0.0004272000000000, -0.0003693800000000 ] - [ -0.0000769600000000, -0.0008155400000000, -0.0001561500000000 ] - [ 0.0001221600000000, -0.0003457500000000, -0.0001565300000000 ] - [ 0.0074065700000000, 0.0115954600000000, -0.0048145300000000 ] - [ 0.0001976200000000, 0.0002933500000000, -0.0000267000000000 ] - [ -0.0003727000000000, 0.0011580400000000, 0.0006028900000000 ] - [ 0.0001553300000000, -0.0033156800000000, 0.0003842900000000 ] - [ -0.0004866700000000, -0.0008321400000000, 0.0002173500000000 ] - [ -0.0010305700000000, 0.0040930100000000, -0.0006818300000000 ] - [ 0.0001194300000000, -0.0008717000000000, 0.0001516100000000 ] - [ -0.0000042100000000, -0.0006377700000000, 0.0000168600000000 ] - [ -0.0008915700000000, 0.0008151500000000, -0.0009455000000000 ] - [ 0.0005248200000000, -0.0010586200000000, 0.0000072300000000 ] - [ -0.0004750300000000, 0.0006070400000000, -0.0000488800000000 ] - [ 0.0001762800000000, 0.0006973600000000, -0.0001282300000000 ] - [ -0.0004874200000000, -0.0026840700000000, 0.0005705300000000 ] - [ 0.0002214000000000, -0.0002950800000000, 0.0006814800000000 ] - [ 0.0004660000000000, 0.0007458400000000, 0.0010549200000000 ] - [ 0.0002843700000000, -0.0000317200000000, 0.0004255400000000 ] - [ 0.0000938100000000, 0.0028107000000000, -0.0009903600000000 ] - [ -0.0006554400000000, -0.0000427600000000, -0.0005725900000000 ] - [ 0.0006708400000000, -0.0004832600000000, -0.0005676500000000 ] - [ -0.0003913300000000, 0.0004524500000000, -0.0010064700000000 ] - [ 0.0000137300000000, -0.0017020500000000, 0.0004988600000000 ] - [ -0.0011587800000000, -0.0000115700000000, 0.0008089600000000 ] - [ 0.0002833500000000, -0.0000129900000000, 0.0003255500000000 ] - [ 0.0017199100000000, 0.0049502100000000, 0.0000539900000000 ] - [ -0.0004332900000000, 0.0017887400000000, -0.0009276800000000 ] - [ -0.0002415300000000, -0.0004990700000000, -0.0005470400000000 ] - [ 0.0001878400000000, -0.0001078200000000, -0.0004319900000000 ] - [ -0.0014463300000000, 0.0025865400000000, -0.0002097900000000 ] - [ 0.0004163700000000, -0.0009342400000000, 0.0014275600000000 ] - [ -0.0025760900000000, -0.0004286500000000, 0.0063182600000000 ] - [ 0.0022012200000000, -0.0014196400000000, 0.0044108200000000 ] - [ -0.0007075000000000, 0.0005018200000000, 0.0010583200000000 ] - [ -0.0004793200000000, 0.0005122200000000, -0.0006866200000000 ] - [ -0.0005488500000000, 0.0019382200000000, -0.0026871300000000 ] - [ 0.0006028300000000, 0.0032062400000000, -0.0022915900000000 ] - [ 0.0005760600000000, -0.0002376300000000, -0.0007251800000000 ] - [ 0.0003148300000000, 0.0000065400000000, 0.0002413900000000 ] - [ -0.0003667500000000, 0.0002518600000000, -0.0006167900000000 ] - [ 0.0006426500000000, 0.0007487100000000, -0.0009251000000000 ] - [ -0.0002138100000000, -0.0000225800000000, 0.0002802400000000 ] - [ 0.0003380500000000, -0.0016367400000000, -0.0004805300000000 ] - [ 0.0002696100000000, -0.0000685200000000, 0.0002656900000000 ] - [ -0.0098572500000000, 0.0137253700000000, 0.0000100600000000 ] - [ 0.0029401700000000, -0.0053063100000000, 0.0000326400000000 ] - [ 0.0004157500000000, 0.0015181300000000, 0.0009924800000000 ] - [ -0.0007385900000000, 0.0012429600000000, 0.0010522900000000 ] - [ 0.0004929800000000, 0.0003900100000000, 0.0011211200000000 ] - [ -0.0044007100000000, -0.0160032900000000, 0.0069442400000000 ] - [ 0.0035342000000000, -0.0083601300000000, 0.0053959400000000 ] - [ -0.0002567600000000, -0.0014945100000000, -0.0013028300000000 ] - [ 0.0004072700000000, -0.0001004000000000, -0.0016028200000000 ] - [ 0.0006577900000000, 0.0048850900000000, -0.0013710400000000 ] - [ 0.0089704300000000, 0.0047873400000000, 0.0081260300000000 ] - [ -0.0017208600000000, 0.0003882800000000, -0.0009715600000000 ] - [ 0.0010250600000000, 0.0000933700000000, -0.0004879500000000 ] - [ -0.0107808800000000, 0.0079605400000000, 0.0112235500000000 ] - [ 0.0000287900000000, 0.0032293700000000, -0.0000204500000000 ] - [ 0.0022496600000000, 0.0002897200000000, -0.0002317000000000 ] - [ -0.0003129200000000, -0.0000625900000000, 0.0002034500000000 ] - [ -0.0002219300000000, 0.0011361800000000, -0.0002761100000000 ] - [ 0.0000179600000000, -0.0008128600000000, -0.0001337000000000 ] - [ 0.0095746100000000, 0.0108519200000000, -0.0010833000000000 ] - [ -0.0001778600000000, 0.0000345900000000, 0.0000974600000000 ] - [ -0.0009802200000000, -0.0045949800000000, -0.0016771900000000 ] - [ -0.0002050700000000, 0.0000914700000000, -0.0007309100000000 ] - [ 0.0033468400000000, 0.0047018600000000, -0.0049076500000000 ] - [ 0.0002494000000000, 0.0002101000000000, 0.0013668200000000 ] - [ -0.0009744100000000, 0.0001057200000000, 0.0008145000000000 ] - [ -0.0154923300000000, -0.0645607000000000, 0.0073251800000000 ] - [ 0.0000195300000000, -0.0014884200000000, -0.0047470100000000 ] - [ -0.0004267200000000, 0.0007376000000000, -0.0003632600000000 ] - [ -0.0000235600000000, 0.0000452500000000, 0.0001393700000000 ] - [ 0.0000719300000000, 0.0022410200000000, 0.0001179200000000 ] - [ -0.0009746300000000, 0.0014296900000000, 0.0010435500000000 ] - [ 0.0009734300000000, -0.0005507000000000, 0.0005865700000000 ] - [ 0.0000496100000000, 0.0001672500000000, 0.0001719900000000 ] - [ -0.0001653400000000, 0.0019930800000000, 0.0000746000000000 ] - [ 0.0001482800000000, 0.0000605300000000, 0.0000307700000000 ] - [ -0.0015789500000000, -0.0007191300000000, -0.0001805900000000 ] - [ 0.0000784200000000, 0.0006107300000000, -0.0000370300000000 ] - [ -0.0042918700000000, 0.0042432100000000, -0.0072623000000000 ] - [ 0.0002059300000000, 0.0000336500000000, -0.0006597700000000 ] - [ 0.0008389400000000, -0.0000060500000000, 0.0006108100000000 ] - [ -0.0002067200000000, -0.0000597900000000, 0.0019755000000000 ] - [ -0.0000007700000000, -0.0001994100000000, -0.0000997100000000 ] - [ 0.0004287000000000, 0.0005724900000000, -0.0004005300000000 ] - [ -0.0000199200000000, -0.0014858200000000, -0.0036604100000000 ] - [ -0.0001567000000000, 0.0031739700000000, -0.0004850100000000 ] - [ 0.0000115400000000, -0.0000994100000000, 0.0001254800000000 ] - [ -0.0014634100000000, -0.0010192700000000, 0.0001949900000000 ] - [ 0.0014631000000000, 0.0016524100000000, 0.0010638900000000 ] - [ 0.0002709400000000, -0.0012776800000000, 0.0001851000000000 ]- atom: 137 displacement: [ 0.0000000000160552, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020307300000000, 0.0012664200000000, -0.0006191700000000 ] - [ 0.0008148500000000, 0.0031682200000000, 0.0021377200000000 ] - [ 0.0000142500000000, 0.0005764300000000, -0.0002246800000000 ] - [ 0.0000683000000000, 0.0003195300000000, -0.0003066400000000 ] - [ 0.0030538800000000, 0.0058692000000000, 0.0026200700000000 ] - [ -0.0010850200000000, -0.0004465400000000, -0.0005692500000000 ] - [ 0.0001933100000000, -0.0012504700000000, -0.0005074400000000 ] - [ 0.0002119500000000, -0.0002899000000000, 0.0003966000000000 ] - [ -0.0001274200000000, 0.0005061200000000, 0.0002419200000000 ] - [ -0.0001394800000000, 0.0006307500000000, -0.0002262700000000 ] - [ 0.0004297300000000, -0.0003042100000000, -0.0002633500000000 ] - [ -0.0002716400000000, -0.0002396800000000, 0.0000246900000000 ] - [ -0.0000939700000000, -0.0000748800000000, -0.0016013500000000 ] - [ -0.0000185100000000, -0.0003199900000000, 0.0001076800000000 ] - [ -0.0001871400000000, 0.0003470100000000, 0.0001685700000000 ] - [ 0.0005115600000000, 0.0007634000000000, -0.0002592000000000 ] - [ 0.0003237400000000, -0.0006494400000000, 0.0001234700000000 ] - [ -0.0009999900000000, -0.0008554600000000, 0.0003606400000000 ] - [ -0.0001201400000000, -0.0053534600000000, 0.0001822700000000 ] - [ 0.0002371500000000, -0.0005455700000000, 0.0011403500000000 ] - [ -0.0004064100000000, 0.0003992100000000, -0.0000486400000000 ] - [ 0.0004594700000000, 0.0010183200000000, -0.0002784300000000 ] - [ 0.0003543400000000, 0.0016316500000000, 0.0000744900000000 ] - [ 0.0004567900000000, -0.0003379000000000, 0.0001070400000000 ] - [ -0.0000704800000000, -0.0005499200000000, 0.0002379800000000 ] - [ -0.0004577000000000, 0.0004595800000000, 0.0001695900000000 ] - [ 0.0012858600000000, -0.0010832100000000, 0.0004201100000000 ] - [ -0.0021672400000000, -0.0072033900000000, 0.0011833700000000 ] - [ 0.0001975000000000, 0.0004291900000000, -0.0000187100000000 ] - [ 0.0001412500000000, -0.0008346600000000, -0.0006371600000000 ] - [ -0.0005686000000000, 0.0012653800000000, -0.0003522900000000 ] - [ -0.0006281500000000, 0.0041641600000000, -0.0000353600000000 ] - [ -0.0002999500000000, -0.0006408000000000, 0.0003302900000000 ] - [ 0.0015625700000000, 0.0016474400000000, -0.0024959300000000 ] - [ -0.0006939900000000, 0.0007895700000000, -0.0004913400000000 ] - [ -0.0096937400000000, -0.0090960100000000, 0.0066809900000000 ] - [ 0.0000585100000000, 0.0009488000000000, 0.0001865500000000 ] - [ 0.0012286500000000, 0.0004213400000000, 0.0016172200000000 ] - [ 0.0002464900000000, -0.0002014900000000, 0.0007069700000000 ] - [ -0.0006287200000000, 0.0004033400000000, -0.0003559100000000 ] - [ 0.0001959800000000, -0.0002193500000000, 0.0000196900000000 ] - [ 0.0002264500000000, 0.0002295500000000, -0.0007802900000000 ] - [ -0.0008403200000000, 0.0025879900000000, -0.0024590700000000 ] - [ -0.0001601800000000, 0.0002311200000000, 0.0000512000000000 ] - [ 0.0001378500000000, 0.0005619800000000, 0.0004232400000000 ] - [ 0.0002423800000000, -0.0001530700000000, 0.0007932900000000 ] - [ -0.0022786800000000, 0.0007674100000000, 0.0028981200000000 ] - [ -0.0004803900000000, 0.0005491100000000, 0.0001660300000000 ] - [ -0.0003570500000000, -0.0002931700000000, -0.0003860100000000 ] - [ 0.0004294700000000, -0.0003547400000000, -0.0003168400000000 ] - [ 0.0012975900000000, -0.0016428500000000, 0.0019054300000000 ] - [ -0.0001608000000000, 0.0001563700000000, -0.0002173800000000 ] - [ 0.0000574200000000, 0.0002500500000000, 0.0004475400000000 ] - [ -0.0004448900000000, 0.0006261000000000, -0.0000080900000000 ] - [ 0.0000371800000000, 0.0005884100000000, -0.0000210000000000 ] - [ 0.0034908600000000, 0.0008628100000000, 0.0000407800000000 ] - [ -0.0024137300000000, -0.0014202900000000, 0.0032659500000000 ] - [ 0.0003223000000000, -0.0002166100000000, 0.0000431500000000 ] - [ 0.0010895900000000, 0.0003198000000000, -0.0003372800000000 ] - [ -0.0005381500000000, 0.0029961100000000, 0.0036155400000000 ] - [ -0.0000234200000000, 0.0002052700000000, -0.0001423500000000 ] - [ -0.0055461700000000, 0.0038223200000000, -0.0001963100000000 ] - [ 0.0035913400000000, -0.0243495700000000, -0.0015998400000000 ] - [ 0.0009381800000000, -0.0000172700000000, -0.0004987600000000 ] - [ -0.0003624300000000, 0.0009348800000000, -0.0001600000000000 ] - [ -0.0003734800000000, 0.0011426700000000, 0.0002236600000000 ] - [ 0.0001147800000000, 0.0000999000000000, 0.0000076400000000 ] - [ 0.0001516700000000, 0.0006948700000000, -0.0000904600000000 ] - [ -0.0084340800000000, -0.0116322800000000, 0.0047612600000000 ] - [ -0.0001601300000000, -0.0010129300000000, 0.0001784300000000 ] - [ 0.0003378100000000, -0.0004424800000000, -0.0004590600000000 ] - [ 0.0005653300000000, 0.0033599200000000, -0.0002321600000000 ] - [ 0.0005187700000000, 0.0012871700000000, -0.0000183500000000 ] - [ 0.0005708100000000, -0.0040456200000000, 0.0008609300000000 ] - [ 0.0003262300000000, 0.0008371500000000, 0.0000432800000000 ] - [ -0.0000330800000000, 0.0001814100000000, 0.0001803400000000 ] - [ 0.0008732700000000, -0.0012497800000000, 0.0007581800000000 ] - [ -0.0000651900000000, 0.0010219200000000, -0.0001999200000000 ] - [ 0.0000228300000000, -0.0005711200000000, -0.0001497700000000 ] - [ -0.0001429800000000, -0.0002461500000000, -0.0000683200000000 ] - [ -0.0001593800000000, 0.0020716200000000, 0.0001879300000000 ] - [ 0.0003842900000000, -0.0003435900000000, 0.0000717100000000 ] - [ -0.0010712000000000, -0.0001113000000000, -0.0002999200000000 ] - [ 0.0003557300000000, 0.0006375200000000, 0.0003260200000000 ] - [ 0.0005375700000000, -0.0021871300000000, 0.0002402700000000 ] - [ 0.0000472600000000, 0.0006862100000000, -0.0001832900000000 ] - [ -0.0000671400000000, -0.0001604700000000, -0.0001867100000000 ] - [ -0.0002502000000000, -0.0010597800000000, 0.0002484400000000 ] - [ 0.0002556600000000, 0.0020511400000000, -0.0002560100000000 ] - [ 0.0008153000000000, 0.0002994200000000, -0.0005614600000000 ] - [ 0.0000660900000000, -0.0002617900000000, -0.0000779000000000 ] - [ -0.0019592500000000, -0.0053316700000000, 0.0002223900000000 ] - [ 0.0001507500000000, -0.0021356200000000, 0.0006640400000000 ] - [ 0.0005886400000000, 0.0002298500000000, 0.0002981800000000 ] - [ -0.0005413700000000, 0.0003805800000000, 0.0001855000000000 ] - [ 0.0007450800000000, -0.0026443100000000, 0.0003522400000000 ] - [ 0.0007448800000000, 0.0014961100000000, 0.0000995300000000 ] - [ 0.0020405600000000, 0.0015220100000000, -0.0047656900000000 ] - [ -0.0016133200000000, 0.0003093300000000, -0.0028935200000000 ] - [ -0.0004497300000000, -0.0010597000000000, 0.0004718600000000 ] - [ -0.0006821500000000, -0.0010717200000000, -0.0008424600000000 ] - [ 0.0011034500000000, -0.0030961000000000, 0.0011424100000000 ] - [ -0.0011676400000000, -0.0020478500000000, 0.0007772600000000 ] - [ 0.0005874200000000, 0.0007986900000000, -0.0008030400000000 ] - [ -0.0003176100000000, 0.0000002400000000, -0.0002443500000000 ] - [ 0.0003668400000000, -0.0002449200000000, 0.0006199500000000 ] - [ -0.0006426900000000, -0.0007532400000000, 0.0009238200000000 ] - [ 0.0002121200000000, 0.0000173500000000, -0.0002787500000000 ] - [ -0.0003328700000000, 0.0016331900000000, 0.0004835300000000 ] - [ -0.0002670100000000, 0.0000774800000000, -0.0002585700000000 ] - [ 0.0096902200000000, -0.0136055400000000, -0.0000308100000000 ] - [ -0.0029805600000000, 0.0052906900000000, -0.0000928600000000 ] - [ 0.0007446600000000, -0.0009598700000000, 0.0005349400000000 ] - [ 0.0001804500000000, -0.0000789500000000, 0.0004763000000000 ] - [ 0.0000713600000000, -0.0015535100000000, 0.0004077300000000 ] - [ 0.0033324900000000, 0.0153530200000000, -0.0053784700000000 ] - [ -0.0048075400000000, 0.0078022200000000, -0.0069547400000000 ] - [ 0.0008129500000000, 0.0003432600000000, -0.0002312600000000 ] - [ -0.0009714400000000, 0.0012567100000000, 0.0000806500000000 ] - [ 0.0005102700000000, -0.0043140000000000, -0.0001546200000000 ] - [ -0.0088645300000000, -0.0047498000000000, -0.0080394700000000 ] - [ 0.0017158800000000, -0.0003965100000000, 0.0009708600000000 ] - [ -0.0010225400000000, -0.0000793200000000, 0.0004902300000000 ] - [ 0.0108367000000000, -0.0080503800000000, -0.0112741800000000 ] - [ -0.0000212700000000, -0.0032168900000000, 0.0000304300000000 ] - [ -0.0022364200000000, -0.0003139900000000, 0.0002253100000000 ] - [ 0.0003151400000000, 0.0000671600000000, -0.0002049600000000 ] - [ 0.0002183200000000, -0.0011361500000000, 0.0002735600000000 ] - [ -0.0000129700000000, 0.0008108300000000, 0.0001302100000000 ] - [ -0.0097112700000000, -0.0109711100000000, 0.0010978100000000 ] - [ 0.0001773700000000, -0.0000386100000000, -0.0000982800000000 ] - [ 0.0009534400000000, 0.0046042900000000, 0.0017318300000000 ] - [ 0.0002032000000000, -0.0000949800000000, -0.0001862400000000 ] - [ -0.0032951500000000, -0.0046902000000000, 0.0039403800000000 ] - [ -0.0002504500000000, -0.0002154900000000, -0.0004432900000000 ] - [ 0.0009691900000000, -0.0001116500000000, 0.0001017300000000 ] - [ 0.0152952000000000, 0.0650955300000000, -0.0072968800000000 ] - [ 0.0010964100000000, 0.0014713300000000, 0.0043741300000000 ] - [ -0.0006862600000000, -0.0007509900000000, 0.0000006800000000 ] - [ 0.0000146300000000, 0.0010679100000000, -0.0005016100000000 ] - [ -0.0000926300000000, -0.0011250600000000, 0.0002437600000000 ] - [ -0.0001431900000000, -0.0014406900000000, -0.0006710900000000 ] - [ 0.0001421700000000, 0.0005556200000000, -0.0002281400000000 ] - [ -0.0000395300000000, -0.0012807100000000, 0.0001901100000000 ] - [ 0.0001691900000000, -0.0019950000000000, -0.0000807800000000 ] - [ -0.0001473900000000, -0.0000631000000000, -0.0000293400000000 ] - [ 0.0015855500000000, 0.0007282000000000, 0.0001819800000000 ] - [ -0.0000813400000000, -0.0006093200000000, 0.0000379700000000 ] - [ 0.0043382600000000, -0.0042770500000000, 0.0064010500000000 ] - [ -0.0002067300000000, -0.0000291400000000, -0.0002590900000000 ] - [ -0.0008415400000000, 0.0000121600000000, 0.0003079400000000 ] - [ 0.0002042900000000, 0.0000645800000000, -0.0010658000000000 ] - [ 0.0000107400000000, -0.0009139700000000, -0.0002621000000000 ] - [ 0.0006880400000000, -0.0005577900000000, 0.0000396100000000 ] - [ -0.0010966700000000, 0.0015069800000000, 0.0032850600000000 ] - [ 0.0001547600000000, -0.0020603300000000, 0.0001236400000000 ] - [ -0.0000237800000000, 0.0012123200000000, 0.0002361800000000 ] - [ 0.0003537600000000, 0.0010163700000000, 0.0001699500000000 ] - [ -0.0003539100000000, -0.0016400000000000, -0.0007102000000000 ] - [ -0.0002616900000000, 0.0001642400000000, 0.0001769200000000 ]- atom: 137 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005550500000000, 0.0006368000000000, 0.0005608800000000 ] - [ 0.0000709800000000, -0.0012150600000000, -0.0004123400000000 ] - [ -0.0005574300000000, -0.0002807600000000, -0.0006396600000000 ] - [ 0.0007246200000000, 0.0004710700000000, -0.0018093900000000 ] - [ -0.0001011000000000, -0.0019431400000000, 0.0041748700000000 ] - [ -0.0009198100000000, 0.0006219000000000, 0.0005724200000000 ] - [ -0.0010255100000000, 0.0033843500000000, -0.0020763200000000 ] - [ -0.0003843200000000, -0.0003725200000000, -0.0004327300000000 ] - [ 0.0006200100000000, -0.0000893000000000, -0.0003824200000000 ] - [ -0.0003666300000000, 0.0005213200000000, -0.0013835800000000 ] - [ 0.0003978100000000, -0.0002521500000000, -0.0013837000000000 ] - [ 0.0000773600000000, -0.0003851200000000, -0.0002624300000000 ] - [ 0.0011634700000000, 0.0025550900000000, -0.0020497400000000 ] - [ 0.0002791100000000, -0.0002991000000000, -0.0007232000000000 ] - [ 0.0000093600000000, 0.0000799400000000, -0.0003223800000000 ] - [ 0.0007753900000000, 0.0009753700000000, -0.0001638100000000 ] - [ 0.0006447300000000, 0.0001025700000000, -0.0026635400000000 ] - [ 0.0045182600000000, 0.0004389200000000, -0.0025484700000000 ] - [ -0.0022667900000000, -0.0014771000000000, 0.0035434400000000 ] - [ -0.0006014200000000, 0.0002999300000000, -0.0059364700000000 ] - [ -0.0003527500000000, 0.0000402600000000, -0.0004332000000000 ] - [ 0.0000438900000000, -0.0002994400000000, -0.0001107800000000 ] - [ 0.0002780900000000, 0.0005532800000000, 0.0001295600000000 ] - [ 0.0000804100000000, 0.0000426900000000, -0.0005608300000000 ] - [ 0.0000873300000000, 0.0007937300000000, -0.0020172500000000 ] - [ -0.0002317200000000, -0.0000606800000000, -0.0000075500000000 ] - [ -0.0048331700000000, 0.0006848300000000, -0.0016836300000000 ] - [ -0.0000466700000000, -0.0009645800000000, 0.0058818600000000 ] - [ -0.0003793300000000, -0.0009890200000000, -0.0008126000000000 ] - [ -0.0012355200000000, 0.0002792000000000, -0.0014580000000000 ] - [ -0.0002372200000000, 0.0000316400000000, -0.0003792000000000 ] - [ 0.0000432400000000, -0.0006900400000000, 0.0006692400000000 ] - [ 0.0000304600000000, -0.0002231900000000, -0.0004797500000000 ] - [ 0.0003562900000000, 0.0012665800000000, 0.0005334200000000 ] - [ -0.0005507400000000, 0.0007948500000000, 0.0000372100000000 ] - [ -0.0103180200000000, -0.0068771100000000, 0.0116272600000000 ] - [ 0.0004619500000000, 0.0002174600000000, -0.0008920200000000 ] - [ -0.0023988800000000, -0.0026560700000000, 0.0007856400000000 ] - [ 0.0010990900000000, -0.0035521400000000, -0.0027015200000000 ] - [ -0.0002211700000000, -0.0002902200000000, -0.0000056000000000 ] - [ -0.0007234400000000, 0.0002804800000000, -0.0009273900000000 ] - [ -0.0000030200000000, 0.0003208700000000, -0.0006456800000000 ] - [ 0.0002456500000000, 0.0007230100000000, 0.0008102200000000 ] - [ -0.0001375300000000, -0.0002152100000000, -0.0002966100000000 ] - [ -0.0003583300000000, -0.0002482800000000, -0.0007528500000000 ] - [ -0.0002461100000000, -0.0033479700000000, -0.0045808700000000 ] - [ 0.0018551300000000, -0.0025637600000000, 0.0026413700000000 ] - [ -0.0001537400000000, -0.0005024100000000, -0.0005587400000000 ] - [ -0.0004787000000000, -0.0000854100000000, -0.0014600700000000 ] - [ -0.0002805800000000, -0.0004195000000000, -0.0005107200000000 ] - [ -0.0025893800000000, -0.0034457200000000, -0.0006278400000000 ] - [ -0.0000598900000000, 0.0001884500000000, 0.0002132700000000 ] - [ -0.0001880500000000, 0.0001924900000000, -0.0000868300000000 ] - [ -0.0003946500000000, 0.0009883600000000, 0.0002265300000000 ] - [ 0.0001586700000000, 0.0001662400000000, 0.0004098300000000 ] - [ -0.0008552400000000, -0.0001890300000000, 0.0016916500000000 ] - [ 0.0016143600000000, -0.0017803900000000, -0.0004763000000000 ] - [ 0.0001404600000000, 0.0001828200000000, 0.0005193400000000 ] - [ 0.0003452000000000, 0.0002150800000000, 0.0006204300000000 ] - [ -0.0001354600000000, -0.0008913400000000, 0.0000527300000000 ] - [ -0.0000820100000000, 0.0001584300000000, 0.0001671400000000 ] - [ 0.0011021400000000, -0.0009239400000000, 0.0009101100000000 ] - [ -0.0013507700000000, 0.0027930200000000, 0.0047128600000000 ] - [ 0.0010121300000000, 0.0008270100000000, 0.0002081000000000 ] - [ 0.0003823300000000, 0.0000946600000000, 0.0002697500000000 ] - [ 0.0001292600000000, 0.0003087000000000, -0.0000476000000000 ] - [ -0.0000546500000000, -0.0004720800000000, -0.0001349400000000 ] - [ 0.0000127300000000, 0.0001299900000000, 0.0002623200000000 ] - [ -0.0063904300000000, -0.0044713500000000, 0.0077946100000000 ] - [ -0.0004736300000000, -0.0004704100000000, 0.0002823000000000 ] - [ 0.0010004200000000, 0.0005946000000000, -0.0003804800000000 ] - [ 0.0003994300000000, -0.0005832100000000, 0.0007434200000000 ] - [ 0.0000349400000000, 0.0003033600000000, 0.0004368500000000 ] - [ 0.0009647400000000, -0.0000943300000000, 0.0068447200000000 ] - [ -0.0000112800000000, -0.0000240200000000, 0.0002708500000000 ] - [ -0.0000485700000000, -0.0001641600000000, -0.0002610800000000 ] - [ 0.0005556000000000, -0.0007496800000000, 0.0018879700000000 ] - [ -0.0000079300000000, 0.0000190800000000, 0.0000038300000000 ] - [ 0.0000101100000000, -0.0001216000000000, 0.0001333100000000 ] - [ 0.0000627400000000, 0.0001515300000000, -0.0006714000000000 ] - [ -0.0004488400000000, -0.0004678300000000, 0.0010100200000000 ] - [ 0.0004425900000000, -0.0000168100000000, 0.0000371100000000 ] - [ -0.0010303100000000, 0.0012451800000000, 0.0005475300000000 ] - [ 0.0002724400000000, 0.0002551400000000, 0.0000032800000000 ] - [ 0.0005941500000000, -0.0005347600000000, 0.0009370200000000 ] - [ -0.0007466000000000, -0.0000737600000000, -0.0006784400000000 ] - [ 0.0004375600000000, -0.0004811800000000, -0.0002626700000000 ] - [ -0.0001955900000000, -0.0000106900000000, -0.0034272500000000 ] - [ 0.0001397000000000, 0.0000809500000000, 0.0008463100000000 ] - [ 0.0006356900000000, 0.0008303200000000, 0.0004610600000000 ] - [ -0.0000269300000000, 0.0001503400000000, -0.0004371700000000 ] - [ -0.0064812100000000, -0.0007167500000000, 0.0045637700000000 ] - [ 0.0000135900000000, -0.0005805700000000, 0.0024630600000000 ] - [ 0.0000888100000000, -0.0001187900000000, 0.0001857900000000 ] - [ -0.0000098800000000, 0.0000612900000000, -0.0006537200000000 ] - [ 0.0002275500000000, -0.0006897100000000, 0.0020733600000000 ] - [ -0.0003777700000000, -0.0006960700000000, 0.0058629500000000 ] - [ -0.0117629100000000, 0.0118744900000000, 0.0075487700000000 ] - [ 0.0104630500000000, 0.0087550600000000, 0.0070998000000000 ] - [ -0.0005585400000000, -0.0001848200000000, 0.0015079500000000 ] - [ -0.0005117200000000, 0.0000220900000000, 0.0000359900000000 ] - [ 0.0005489900000000, -0.0012547300000000, -0.0006510900000000 ] - [ -0.0008577200000000, -0.0002253500000000, 0.0000660700000000 ] - [ 0.0006828800000000, 0.0005199700000000, 0.0004638100000000 ] - [ 0.0004458800000000, 0.0003852300000000, 0.0008053000000000 ] - [ 0.0005158100000000, -0.0020333100000000, 0.0025816500000000 ] - [ -0.0012140200000000, -0.0016036000000000, 0.0026350300000000 ] - [ -0.0002940100000000, 0.0002429800000000, 0.0007853200000000 ] - [ 0.0025658400000000, -0.0002438700000000, -0.0010175500000000 ] - [ 0.0002724700000000, 0.0001835800000000, 0.0035759200000000 ] - [ -0.0024759100000000, -0.0016931400000000, -0.0063905700000000 ] - [ 0.0135718300000000, -0.0015152600000000, 0.0136279600000000 ] - [ 0.0005547900000000, 0.0003214200000000, 0.0003077400000000 ] - [ -0.0004270600000000, 0.0007924300000000, 0.0009538600000000 ] - [ 0.0005805700000000, -0.0003112800000000, 0.0005029800000000 ] - [ 0.0000114900000000, 0.0056048100000000, -0.0083146000000000 ] - [ 0.0001603000000000, 0.0056089400000000, -0.0144553700000000 ] - [ 0.0020710500000000, -0.0016373700000000, -0.0000397600000000 ] - [ -0.0011010500000000, 0.0001179000000000, -0.0007688900000000 ] - [ 0.0006071600000000, 0.0008070500000000, -0.0018961700000000 ] - [ 0.0022682400000000, 0.0042406100000000, -0.0018008700000000 ] - [ 0.0005973500000000, -0.0005578300000000, -0.0006102000000000 ] - [ -0.0006638800000000, -0.0006999400000000, -0.0007668300000000 ] - [ -0.0016394800000000, 0.0043173000000000, -0.0006181100000000 ] - [ 0.0003108600000000, 0.0002726700000000, -0.0000124400000000 ] - [ 0.0000918500000000, -0.0004527800000000, -0.0013009800000000 ] - [ 0.0003425700000000, -0.0001995000000000, 0.0010393800000000 ] - [ 0.0002572100000000, 0.0001623700000000, -0.0000046600000000 ] - [ -0.0013440600000000, -0.0001386500000000, -0.0000938200000000 ] - [ 0.0009933700000000, -0.0010331100000000, -0.0038164200000000 ] - [ -0.0001094500000000, -0.0000234400000000, 0.0017838600000000 ] - [ -0.0088800800000000, -0.0005787100000000, 0.0102915600000000 ] - [ 0.0001387800000000, -0.0001864800000000, 0.0001798700000000 ] - [ -0.0004309900000000, -0.0035077500000000, -0.0016499200000000 ] - [ 0.0006898700000000, 0.0011095700000000, 0.0020694300000000 ] - [ -0.0006239900000000, 0.0003378000000000, -0.0001828400000000 ] - [ 0.0230540400000000, 0.0066302600000000, -0.0527334100000000 ] - [ 0.0040070100000000, -0.0059043200000000, 0.0043743700000000 ] - [ -0.0007764300000000, -0.0001999600000000, -0.0001293900000000 ] - [ -0.0000883100000000, 0.0002364300000000, 0.0023779000000000 ] - [ -0.0000570400000000, 0.0004947100000000, -0.0004265400000000 ] - [ -0.0009644100000000, 0.0011261700000000, 0.0001676700000000 ] - [ 0.0014163100000000, 0.0003460300000000, 0.0001672400000000 ] - [ -0.0000185900000000, -0.0005473900000000, 0.0008374800000000 ] - [ -0.0001143000000000, 0.0001139000000000, 0.0000144400000000 ] - [ -0.0000387700000000, -0.0000586600000000, 0.0005923000000000 ] - [ -0.0001540800000000, -0.0001139500000000, -0.0008557900000000 ] - [ -0.0001474500000000, 0.0000675500000000, 0.0000078600000000 ] - [ 0.0006004700000000, -0.0033909400000000, -0.0022375300000000 ] - [ -0.0000918300000000, -0.0002137300000000, 0.0002047600000000 ] - [ 0.0006525900000000, 0.0001934400000000, -0.0003784100000000 ] - [ -0.0005521400000000, 0.0008000500000000, 0.0019027400000000 ] - [ 0.0000292000000000, -0.0004757100000000, 0.0001518700000000 ] - [ 0.0007401800000000, -0.0002569400000000, -0.0001324600000000 ] - [ -0.0051465300000000, -0.0055460800000000, 0.0043971500000000 ] - [ -0.0000058400000000, 0.0008625500000000, -0.0006590000000000 ] - [ 0.0001232600000000, 0.0005018400000000, 0.0019063800000000 ] - [ -0.0014425900000000, 0.0001171200000000, 0.0002737200000000 ] - [ 0.0005712300000000, 0.0011968300000000, 0.0002735000000000 ] - [ -0.0001595300000000, -0.0005602400000000, -0.0005778300000000 ]- atom: 137 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004719900000000, -0.0010881300000000, -0.0012715900000000 ] - [ 0.0003890100000000, 0.0011388200000000, -0.0002899300000000 ] - [ 0.0001010000000000, 0.0003652300000000, -0.0000754400000000 ] - [ -0.0006469700000000, -0.0000053600000000, 0.0010955600000000 ] - [ 0.0001888900000000, 0.0024246000000000, -0.0034270400000000 ] - [ 0.0004588700000000, -0.0005440600000000, 0.0001329900000000 ] - [ 0.0014724200000000, -0.0034389900000000, 0.0027810100000000 ] - [ 0.0003129200000000, -0.0000848000000000, 0.0011460000000000 ] - [ -0.0002335400000000, 0.0003154900000000, 0.0002086700000000 ] - [ 0.0001379600000000, -0.0001429100000000, 0.0012089400000000 ] - [ -0.0001758000000000, -0.0001342400000000, 0.0012089600000000 ] - [ -0.0004583400000000, 0.0001586400000000, 0.0000914500000000 ] - [ -0.0015630700000000, -0.0028072400000000, 0.0022303000000000 ] - [ -0.0000470800000000, -0.0000869000000000, 0.0008983000000000 ] - [ -0.0002339700000000, 0.0003024200000000, 0.0004971000000000 ] - [ -0.0003986500000000, -0.0007551700000000, 0.0003322100000000 ] - [ 0.0000724600000000, -0.0000632400000000, 0.0025212300000000 ] - [ -0.0045329600000000, 0.0002765500000000, 0.0023928500000000 ] - [ 0.0020951000000000, 0.0006176400000000, -0.0044381400000000 ] - [ 0.0008714700000000, 0.0000481000000000, 0.0056745700000000 ] - [ -0.0003627000000000, -0.0000822800000000, 0.0002848900000000 ] - [ -0.0000030700000000, -0.0004162500000000, 0.0002549000000000 ] - [ -0.0003178400000000, 0.0001627100000000, 0.0000214400000000 ] - [ 0.0006327900000000, -0.0000003400000000, 0.0007079500000000 ] - [ -0.0000505500000000, -0.0003366800000000, 0.0022120700000000 ] - [ -0.0002239800000000, 0.0000957800000000, 0.0002012900000000 ] - [ 0.0053159500000000, -0.0007205900000000, 0.0018886000000000 ] - [ -0.0000306000000000, 0.0005403900000000, -0.0057034000000000 ] - [ 0.0003482000000000, 0.0005418200000000, 0.0006157600000000 ] - [ 0.0016798300000000, -0.0003120900000000, 0.0012647000000000 ] - [ -0.0002152800000000, 0.0000019300000000, 0.0001853200000000 ] - [ -0.0000126400000000, 0.0011484400000000, -0.0008632600000000 ] - [ -0.0006659600000000, -0.0003812200000000, 0.0012321400000000 ] - [ 0.0002505700000000, -0.0019029800000000, 0.0002325600000000 ] - [ -0.0000529600000000, -0.0001586600000000, 0.0007091900000000 ] - [ 0.0112703700000000, 0.0076179600000000, -0.0108358600000000 ] - [ 0.0001773400000000, 0.0003877900000000, 0.0001371700000000 ] - [ 0.0018084100000000, 0.0033228300000000, -0.0015573200000000 ] - [ -0.0004885100000000, 0.0028965400000000, 0.0019437400000000 ] - [ -0.0004175700000000, -0.0003157200000000, -0.0007444600000000 ] - [ 0.0010016800000000, 0.0000681900000000, 0.0011738500000000 ] - [ -0.0003459800000000, -0.0000428400000000, 0.0008990500000000 ] - [ 0.0001057800000000, -0.0009903300000000, -0.0005752600000000 ] - [ -0.0001326000000000, -0.0001357100000000, 0.0005366600000000 ] - [ 0.0000835100000000, -0.0001020000000000, 0.0005062000000000 ] - [ 0.0006024500000000, 0.0030894300000000, 0.0043464700000000 ] - [ -0.0021949800000000, 0.0028167100000000, -0.0028643000000000 ] - [ -0.0005596500000000, 0.0004594000000000, 0.0007062000000000 ] - [ 0.0003935600000000, -0.0003714400000000, 0.0007431700000000 ] - [ 0.0007441000000000, 0.0003411400000000, -0.0002077400000000 ] - [ 0.0021094600000000, 0.0034973300000000, -0.0000773300000000 ] - [ 0.0001380000000000, 0.0002744300000000, -0.0009286700000000 ] - [ 0.0002663900000000, 0.0002675200000000, 0.0008002100000000 ] - [ -0.0000664100000000, -0.0009017000000000, 0.0004935800000000 ] - [ 0.0003012600000000, -0.0002487600000000, 0.0003024100000000 ] - [ 0.0007862400000000, -0.0002672000000000, -0.0009706600000000 ] - [ -0.0012361500000000, 0.0020245900000000, 0.0002834800000000 ] - [ -0.0003689100000000, 0.0001978700000000, -0.0006930900000000 ] - [ -0.0001228200000000, -0.0006043900000000, -0.0007961900000000 ] - [ -0.0002476900000000, 0.0006595800000000, -0.0002468900000000 ] - [ -0.0003024700000000, -0.0003873400000000, 0.0000109900000000 ] - [ -0.0008539200000000, 0.0005280100000000, -0.0007353300000000 ] - [ 0.0011103100000000, -0.0023460200000000, -0.0045253000000000 ] - [ -0.0006313300000000, -0.0006014900000000, -0.0000186200000000 ] - [ 0.0003335800000000, -0.0000531700000000, -0.0004153800000000 ] - [ -0.0001697400000000, 0.0004062800000000, -0.0001039000000000 ] - [ 0.0000936700000000, -0.0002458600000000, -0.0000121400000000 ] - [ 0.0002605400000000, 0.0002228100000000, -0.0005083200000000 ] - [ 0.0055154600000000, 0.0043708200000000, -0.0079684800000000 ] - [ 0.0005081600000000, -0.0002497300000000, -0.0001267000000000 ] - [ -0.0010466000000000, 0.0001176200000000, 0.0005200400000000 ] - [ 0.0003175500000000, 0.0006146500000000, -0.0005947200000000 ] - [ 0.0000000600000000, 0.0001490600000000, -0.0002395800000000 ] - [ -0.0014679100000000, 0.0003143000000000, -0.0056329200000000 ] - [ 0.0004653500000000, -0.0000108600000000, -0.0000701000000000 ] - [ 0.0000144400000000, -0.0002853500000000, 0.0004598400000000 ] - [ -0.0005793400000000, 0.0003019300000000, -0.0020712900000000 ] - [ 0.0004649100000000, -0.0000531500000000, -0.0002028400000000 ] - [ -0.0004645100000000, 0.0001562900000000, -0.0003359600000000 ] - [ -0.0000305100000000, 0.0002989400000000, 0.0004730500000000 ] - [ -0.0001952700000000, -0.0001336100000000, -0.0002556400000000 ] - [ 0.0001624700000000, -0.0006234100000000, 0.0007113800000000 ] - [ 0.0004250000000000, -0.0005991800000000, 0.0002131100000000 ] - [ 0.0003697100000000, 0.0003495800000000, 0.0007508200000000 ] - [ 0.0000291900000000, 0.0011518500000000, -0.0016797800000000 ] - [ 0.0001394900000000, 0.0007126800000000, -0.0000746000000000 ] - [ 0.0001673200000000, -0.0001592800000000, -0.0004944500000000 ] - [ -0.0004501300000000, -0.0005907300000000, 0.0026828600000000 ] - [ 0.0001319700000000, 0.0002655900000000, -0.0005964400000000 ] - [ -0.0009742200000000, -0.0005479300000000, -0.0002200200000000 ] - [ 0.0003734700000000, -0.0004225200000000, 0.0006867500000000 ] - [ 0.0062457400000000, 0.0003505500000000, -0.0042032300000000 ] - [ -0.0002951000000000, 0.0002281100000000, -0.0027345600000000 ] - [ 0.0002595500000000, -0.0001519200000000, -0.0004275000000000 ] - [ -0.0003412600000000, 0.0002156800000000, 0.0004006300000000 ] - [ -0.0009317300000000, 0.0006363000000000, -0.0019199100000000 ] - [ 0.0015351200000000, 0.0012533200000000, -0.0043322000000000 ] - [ 0.0111127400000000, -0.0106237000000000, -0.0059456100000000 ] - [ -0.0099894400000000, -0.0099895000000000, -0.0056356800000000 ] - [ -0.0006012300000000, -0.0003757800000000, 0.0000216400000000 ] - [ -0.0006535700000000, -0.0005808000000000, -0.0015658100000000 ] - [ 0.0000114900000000, 0.0000987600000000, -0.0008669600000000 ] - [ 0.0002973700000000, 0.0013848300000000, -0.0015997700000000 ] - [ 0.0004764400000000, 0.0000406500000000, -0.0019911200000000 ] - [ -0.0004532700000000, -0.0003858700000000, -0.0008001800000000 ] - [ -0.0005077800000000, 0.0020165300000000, -0.0025783600000000 ] - [ 0.0012249400000000, 0.0016164700000000, -0.0026387300000000 ] - [ 0.0002888000000000, -0.0002413600000000, -0.0007884400000000 ] - [ -0.0025820200000000, 0.0002470400000000, 0.0010400300000000 ] - [ -0.0002813000000000, -0.0001968100000000, -0.0035853600000000 ] - [ 0.0025072100000000, 0.0016408900000000, 0.0063637900000000 ] - [ -0.0134119000000000, 0.0015013600000000, -0.0134892900000000 ] - [ 0.0006037400000000, 0.0002369200000000, 0.0012219000000000 ] - [ -0.0001304300000000, 0.0003656800000000, 0.0005784800000000 ] - [ -0.0000204700000000, -0.0008479500000000, 0.0010185100000000 ] - [ -0.0010405500000000, -0.0062013400000000, 0.0098755600000000 ] - [ -0.0014269400000000, -0.0061386700000000, 0.0128415800000000 ] - [ -0.0015059000000000, 0.0004760600000000, -0.0014968800000000 ] - [ 0.0005386700000000, 0.0010469500000000, -0.0007459200000000 ] - [ 0.0005537900000000, -0.0002469900000000, 0.0003665200000000 ] - [ -0.0022867000000000, -0.0042209000000000, 0.0017495100000000 ] - [ -0.0005940500000000, 0.0005536100000000, 0.0006164900000000 ] - [ 0.0006704900000000, 0.0007059300000000, 0.0007580800000000 ] - [ 0.0016085700000000, -0.0043197000000000, 0.0006856600000000 ] - [ -0.0003119700000000, -0.0002772200000000, 0.0000058200000000 ] - [ -0.0000996800000000, 0.0004458100000000, 0.0012967700000000 ] - [ -0.0003379000000000, 0.0001973800000000, -0.0010386200000000 ] - [ -0.0002594500000000, -0.0001646100000000, 0.0000102000000000 ] - [ 0.0013385000000000, 0.0001357700000000, 0.0000816600000000 ] - [ -0.0009653500000000, 0.0010919100000000, 0.0038228500000000 ] - [ 0.0001049500000000, 0.0000308900000000, -0.0017793600000000 ] - [ 0.0090202400000000, 0.0005939000000000, -0.0103905200000000 ] - [ -0.0001412000000000, 0.0001871100000000, -0.0010927000000000 ] - [ 0.0004366200000000, 0.0034909500000000, 0.0007615300000000 ] - [ -0.0006847100000000, -0.0011002700000000, -0.0011523500000000 ] - [ 0.0006204200000000, -0.0003418200000000, 0.0010930500000000 ] - [ -0.0230131000000000, -0.0079925700000000, 0.0519495600000000 ] - [ -0.0029389200000000, 0.0059792800000000, -0.0047634900000000 ] - [ -0.0003365900000000, 0.0001893900000000, -0.0002287100000000 ] - [ 0.0000700500000000, 0.0008769800000000, -0.0027403300000000 ] - [ 0.0000478900000000, 0.0006198000000000, 0.0007881100000000 ] - [ -0.0001494800000000, -0.0011288800000000, 0.0001889800000000 ] - [ -0.0002985400000000, -0.0003355500000000, 0.0001886000000000 ] - [ 0.0000296900000000, -0.0005654500000000, -0.0004748800000000 ] - [ 0.0001139000000000, -0.0001114300000000, -0.0000100400000000 ] - [ 0.0000411500000000, 0.0000599700000000, -0.0005913000000000 ] - [ 0.0001508600000000, 0.0001155800000000, 0.0008542000000000 ] - [ 0.0001462800000000, -0.0000659100000000, -0.0000106000000000 ] - [ -0.0006047200000000, 0.0033863200000000, 0.0012880000000000 ] - [ 0.0000901800000000, 0.0002134000000000, -0.0011261000000000 ] - [ -0.0006558100000000, -0.0001906300000000, 0.0013028400000000 ] - [ 0.0005574200000000, -0.0008102000000000, -0.0009828800000000 ] - [ -0.0000191500000000, -0.0006372400000000, -0.0005134800000000 ] - [ 0.0003754400000000, 0.0002677800000000, -0.0002319600000000 ] - [ 0.0039751600000000, 0.0054823800000000, -0.0047405700000000 ] - [ -0.0000057500000000, 0.0002535800000000, 0.0002961600000000 ] - [ -0.0001243900000000, 0.0006124000000000, -0.0015443700000000 ] - [ 0.0003318400000000, -0.0001260800000000, 0.0000940900000000 ] - [ 0.0005462400000000, -0.0011933700000000, 0.0000936500000000 ] - [ 0.0001714200000000, -0.0005521200000000, 0.0009403800000000 ]