# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/08e6a417-ae9b-48ca-bdff-bf1f59cc7a49/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 Sb2Ir / P2_1/c (14) / materials id 1247](https://mdr.nims.go.jp/datasets/9ec6a973-ec54-42bb-853b-520a7355b338) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.604432050000000, 0.000000000000000, -0.013013710000000 ] # a - [ 0.000000000000000, 6.558551419999999, 0.000000000000000 ] # b - [ -2.837662110000000, 0.000000000000000, 6.084767200000000 ] # c points: - symbol: Sb # 1 coordinates: [ 0.850483660000000, 0.865131610000000, 0.120236380000000 ] mass: 121.760000 - symbol: Sb # 2 coordinates: [ 0.149516340000000, 0.365131610000000, 0.379763620000000 ] mass: 121.760000 - symbol: Sb # 3 coordinates: [ 0.149516340000000, 0.134868390000000, 0.879763620000000 ] mass: 121.760000 - symbol: Sb # 4 coordinates: [ 0.850483660000000, 0.634868390000000, 0.620236380000000 ] mass: 121.760000 - symbol: Sb # 5 coordinates: [ 0.655490340000000, 0.362066770000000, 0.819938700000000 ] mass: 121.760000 - symbol: Sb # 6 coordinates: [ 0.344509660000000, 0.862066770000000, 0.680061300000000 ] mass: 121.760000 - symbol: Sb # 7 coordinates: [ 0.344509660000000, 0.637933230000000, 0.180061300000000 ] mass: 121.760000 - symbol: Sb # 8 coordinates: [ 0.655490340000000, 0.137933230000000, 0.319938700000000 ] mass: 121.760000 - symbol: Ir # 9 coordinates: [ 0.728130470000000, 0.501565150000000, 0.207617230000000 ] mass: 192.217000 - symbol: Ir # 10 coordinates: [ 0.271869530000000, 0.001565150000000, 0.292382770000000 ] mass: 192.217000 - symbol: Ir # 11 coordinates: [ 0.271869530000000, 0.498434850000000, 0.792382770000000 ] mass: 192.217000 - symbol: Ir # 12 coordinates: [ 0.728130470000000, 0.998434850000000, 0.707617230000000 ] mass: 192.217000 reciprocal_lattice: # without 2pi - [ 0.151552740264188, 0.000000000000000, 0.070677390700232 ] # a* - [ 0.000000000000000, 0.152472693429001, 0.000000000000000 ] # b* - [ 0.000324131285007, 0.000000000000000, 0.164495985165403 ] # c*unit_cell: lattice: - [ 6.604432050000000, 0.000000000000000, -0.013013710000000 ] # a - [ 0.000000000000000, 6.558551420000000, 0.000000000000000 ] # b - [ -2.837662110000000, 0.000000000000000, 6.084767200000000 ] # c points: - symbol: Sb # 1 coordinates: [ 0.850483660000000, 0.865131610000000, 0.120236380000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 2 coordinates: [ 0.149516340000000, 0.365131610000000, 0.379763620000000 ] mass: 121.760000 reduced_to: 2 - symbol: Sb # 3 coordinates: [ 0.149516340000000, 0.134868390000000, 0.879763620000000 ] mass: 121.760000 reduced_to: 3 - symbol: Sb # 4 coordinates: [ 0.850483660000000, 0.634868390000000, 0.620236380000000 ] mass: 121.760000 reduced_to: 4 - symbol: Sb # 5 coordinates: [ 0.655490340000000, 0.362066770000000, 0.819938700000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 6 coordinates: [ 0.344509660000000, 0.862066770000000, 0.680061300000000 ] mass: 121.760000 reduced_to: 6 - symbol: Sb # 7 coordinates: [ 0.344509660000000, 0.637933230000000, 0.180061300000000 ] mass: 121.760000 reduced_to: 7 - symbol: Sb # 8 coordinates: [ 0.655490340000000, 0.137933230000000, 0.319938700000000 ] mass: 121.760000 reduced_to: 8 - symbol: Ir # 9 coordinates: [ 0.728130470000000, 0.501565150000000, 0.207617230000000 ] mass: 192.217000 reduced_to: 9 - symbol: Ir # 10 coordinates: [ 0.271869530000000, 0.001565150000000, 0.292382770000000 ] mass: 192.217000 reduced_to: 10 - symbol: Ir # 11 coordinates: [ 0.271869530000000, 0.498434850000000, 0.792382770000000 ] mass: 192.217000 reduced_to: 11 - symbol: Ir # 12 coordinates: [ 0.728130470000000, 0.998434850000000, 0.707617230000000 ] mass: 192.217000 reduced_to: 12supercell: lattice: - [ 13.208864100000000, 0.000000000000000, -0.026027420000000 ] # a - [ 0.000000000000000, 19.675654259999998, 0.000000000000000 ] # b - [ -5.675324220000000, 0.000000000000000, 12.169534400000000 ] # c points: - symbol: Sb # 1 coordinates: [ 0.425241830000000, 0.288377203333333, 0.060118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 2 coordinates: [ 0.925241830000000, 0.288377203333333, 0.060118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 3 coordinates: [ 0.425241830000000, 0.621710536666667, 0.060118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 4 coordinates: [ 0.925241830000000, 0.621710536666667, 0.060118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 5 coordinates: [ 0.425241830000000, 0.955043870000000, 0.060118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 6 coordinates: [ 0.925241830000000, 0.955043870000000, 0.060118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 7 coordinates: [ 0.425241830000000, 0.288377203333333, 0.560118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 8 coordinates: [ 0.925241830000000, 0.288377203333333, 0.560118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 9 coordinates: [ 0.425241830000000, 0.621710536666667, 0.560118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 10 coordinates: [ 0.925241830000000, 0.621710536666667, 0.560118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 11 coordinates: [ 0.425241830000000, 0.955043870000000, 0.560118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 12 coordinates: [ 0.925241830000000, 0.955043870000000, 0.560118190000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 13 coordinates: [ 0.074758170000000, 0.121710536666667, 0.189881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 14 coordinates: [ 0.574758170000000, 0.121710536666667, 0.189881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 15 coordinates: [ 0.074758170000000, 0.455043870000000, 0.189881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 16 coordinates: [ 0.574758170000000, 0.455043870000000, 0.189881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 17 coordinates: [ 0.074758170000000, 0.788377203333333, 0.189881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 18 coordinates: [ 0.574758170000000, 0.788377203333333, 0.189881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 19 coordinates: [ 0.074758170000000, 0.121710536666667, 0.689881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 20 coordinates: [ 0.574758170000000, 0.121710536666667, 0.689881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 21 coordinates: [ 0.074758170000000, 0.455043870000000, 0.689881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 22 coordinates: [ 0.574758170000000, 0.455043870000000, 0.689881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 23 coordinates: [ 0.074758170000000, 0.788377203333333, 0.689881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 24 coordinates: [ 0.574758170000000, 0.788377203333333, 0.689881810000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 25 coordinates: [ 0.074758170000000, 0.044956130000000, 0.439881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 26 coordinates: [ 0.574758170000000, 0.044956130000000, 0.439881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 27 coordinates: [ 0.074758170000000, 0.378289463333333, 0.439881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 28 coordinates: [ 0.574758170000000, 0.378289463333333, 0.439881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 29 coordinates: [ 0.074758170000000, 0.711622796666667, 0.439881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 30 coordinates: [ 0.574758170000000, 0.711622796666667, 0.439881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 31 coordinates: [ 0.074758170000000, 0.044956130000000, 0.939881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 32 coordinates: [ 0.574758170000000, 0.044956130000000, 0.939881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 33 coordinates: [ 0.074758170000000, 0.378289463333333, 0.939881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 34 coordinates: [ 0.574758170000000, 0.378289463333333, 0.939881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 35 coordinates: [ 0.074758170000000, 0.711622796666667, 0.939881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 36 coordinates: [ 0.574758170000000, 0.711622796666667, 0.939881810000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 37 coordinates: [ 0.425241830000000, 0.211622796666667, 0.310118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 38 coordinates: [ 0.925241830000000, 0.211622796666667, 0.310118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 39 coordinates: [ 0.425241830000000, 0.544956130000000, 0.310118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 40 coordinates: [ 0.925241830000000, 0.544956130000000, 0.310118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 41 coordinates: [ 0.425241830000000, 0.878289463333333, 0.310118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 42 coordinates: [ 0.925241830000000, 0.878289463333333, 0.310118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 43 coordinates: [ 0.425241830000000, 0.211622796666667, 0.810118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 44 coordinates: [ 0.925241830000000, 0.211622796666667, 0.810118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 45 coordinates: [ 0.425241830000000, 0.544956130000000, 0.810118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 46 coordinates: [ 0.925241830000000, 0.544956130000000, 0.810118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 47 coordinates: [ 0.425241830000000, 0.878289463333333, 0.810118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 48 coordinates: [ 0.925241830000000, 0.878289463333333, 0.810118190000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 49 coordinates: [ 0.327745170000000, 0.120688923333333, 0.409969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 50 coordinates: [ 0.827745170000000, 0.120688923333333, 0.409969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 51 coordinates: [ 0.327745170000000, 0.454022256666667, 0.409969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 52 coordinates: [ 0.827745170000000, 0.454022256666667, 0.409969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 53 coordinates: [ 0.327745170000000, 0.787355590000000, 0.409969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 54 coordinates: [ 0.827745170000000, 0.787355590000000, 0.409969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 55 coordinates: [ 0.327745170000000, 0.120688923333333, 0.909969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 56 coordinates: [ 0.827745170000000, 0.120688923333333, 0.909969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 57 coordinates: [ 0.327745170000000, 0.454022256666667, 0.909969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 58 coordinates: [ 0.827745170000000, 0.454022256666667, 0.909969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 59 coordinates: [ 0.327745170000000, 0.787355590000000, 0.909969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 60 coordinates: [ 0.827745170000000, 0.787355590000000, 0.909969350000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 61 coordinates: [ 0.172254830000000, 0.287355590000000, 0.340030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 62 coordinates: [ 0.672254830000000, 0.287355590000000, 0.340030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 63 coordinates: [ 0.172254830000000, 0.620688923333333, 0.340030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 64 coordinates: [ 0.672254830000000, 0.620688923333333, 0.340030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 65 coordinates: [ 0.172254830000000, 0.954022256666667, 0.340030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 66 coordinates: [ 0.672254830000000, 0.954022256666667, 0.340030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 67 coordinates: [ 0.172254830000000, 0.287355590000000, 0.840030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 68 coordinates: [ 0.672254830000000, 0.287355590000000, 0.840030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 69 coordinates: [ 0.172254830000000, 0.620688923333333, 0.840030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 70 coordinates: [ 0.672254830000000, 0.620688923333333, 0.840030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 71 coordinates: [ 0.172254830000000, 0.954022256666667, 0.840030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 72 coordinates: [ 0.672254830000000, 0.954022256666667, 0.840030650000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 73 coordinates: [ 0.172254830000000, 0.212644410000000, 0.090030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 74 coordinates: [ 0.672254830000000, 0.212644410000000, 0.090030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 75 coordinates: [ 0.172254830000000, 0.545977743333333, 0.090030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 76 coordinates: [ 0.672254830000000, 0.545977743333333, 0.090030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 77 coordinates: [ 0.172254830000000, 0.879311076666667, 0.090030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 78 coordinates: [ 0.672254830000000, 0.879311076666667, 0.090030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 79 coordinates: [ 0.172254830000000, 0.212644410000000, 0.590030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 80 coordinates: [ 0.672254830000000, 0.212644410000000, 0.590030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 81 coordinates: [ 0.172254830000000, 0.545977743333333, 0.590030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 82 coordinates: [ 0.672254830000000, 0.545977743333333, 0.590030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 83 coordinates: [ 0.172254830000000, 0.879311076666667, 0.590030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 84 coordinates: [ 0.672254830000000, 0.879311076666667, 0.590030650000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 85 coordinates: [ 0.327745170000000, 0.045977743333333, 0.159969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 86 coordinates: [ 0.827745170000000, 0.045977743333333, 0.159969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 87 coordinates: [ 0.327745170000000, 0.379311076666667, 0.159969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 88 coordinates: [ 0.827745170000000, 0.379311076666667, 0.159969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 89 coordinates: [ 0.327745170000000, 0.712644410000000, 0.159969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 90 coordinates: [ 0.827745170000000, 0.712644410000000, 0.159969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 91 coordinates: [ 0.327745170000000, 0.045977743333333, 0.659969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 92 coordinates: [ 0.827745170000000, 0.045977743333333, 0.659969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 93 coordinates: [ 0.327745170000000, 0.379311076666667, 0.659969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 94 coordinates: [ 0.827745170000000, 0.379311076666667, 0.659969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 95 coordinates: [ 0.327745170000000, 0.712644410000000, 0.659969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 96 coordinates: [ 0.827745170000000, 0.712644410000000, 0.659969350000000 ] mass: 121.760000 reduced_to: 85 - symbol: Ir # 97 coordinates: [ 0.364065235000000, 0.167188383333333, 0.103808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 98 coordinates: [ 0.864065235000000, 0.167188383333333, 0.103808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 99 coordinates: [ 0.364065235000000, 0.500521716666667, 0.103808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 100 coordinates: [ 0.864065235000000, 0.500521716666667, 0.103808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 101 coordinates: [ 0.364065235000000, 0.833855050000000, 0.103808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 102 coordinates: [ 0.864065235000000, 0.833855050000000, 0.103808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 103 coordinates: [ 0.364065235000000, 0.167188383333333, 0.603808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 104 coordinates: [ 0.864065235000000, 0.167188383333333, 0.603808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 105 coordinates: [ 0.364065235000000, 0.500521716666667, 0.603808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 106 coordinates: [ 0.864065235000000, 0.500521716666667, 0.603808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 107 coordinates: [ 0.364065235000000, 0.833855050000000, 0.603808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 108 coordinates: [ 0.864065235000000, 0.833855050000000, 0.603808615000000 ] mass: 192.217000 reduced_to: 97 - symbol: Ir # 109 coordinates: [ 0.135934765000000, 0.000521716666667, 0.146191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 110 coordinates: [ 0.635934765000000, 0.000521716666667, 0.146191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 111 coordinates: [ 0.135934765000000, 0.333855050000000, 0.146191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 112 coordinates: [ 0.635934765000000, 0.333855050000000, 0.146191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 113 coordinates: [ 0.135934765000000, 0.667188383333333, 0.146191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 114 coordinates: [ 0.635934765000000, 0.667188383333333, 0.146191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 115 coordinates: [ 0.135934765000000, 0.000521716666667, 0.646191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 116 coordinates: [ 0.635934765000000, 0.000521716666667, 0.646191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 117 coordinates: [ 0.135934765000000, 0.333855050000000, 0.646191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 118 coordinates: [ 0.635934765000000, 0.333855050000000, 0.646191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 119 coordinates: [ 0.135934765000000, 0.667188383333333, 0.646191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 120 coordinates: [ 0.635934765000000, 0.667188383333333, 0.646191385000000 ] mass: 192.217000 reduced_to: 109 - symbol: Ir # 121 coordinates: [ 0.135934765000000, 0.166144950000000, 0.396191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 122 coordinates: [ 0.635934765000000, 0.166144950000000, 0.396191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 123 coordinates: [ 0.135934765000000, 0.499478283333333, 0.396191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 124 coordinates: [ 0.635934765000000, 0.499478283333333, 0.396191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 125 coordinates: [ 0.135934765000000, 0.832811616666667, 0.396191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 126 coordinates: [ 0.635934765000000, 0.832811616666667, 0.396191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 127 coordinates: [ 0.135934765000000, 0.166144950000000, 0.896191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 128 coordinates: [ 0.635934765000000, 0.166144950000000, 0.896191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 129 coordinates: [ 0.135934765000000, 0.499478283333333, 0.896191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 130 coordinates: [ 0.635934765000000, 0.499478283333333, 0.896191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 131 coordinates: [ 0.135934765000000, 0.832811616666667, 0.896191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 132 coordinates: [ 0.635934765000000, 0.832811616666667, 0.896191385000000 ] mass: 192.217000 reduced_to: 121 - symbol: Ir # 133 coordinates: [ 0.364065235000000, 0.332811616666667, 0.353808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 134 coordinates: [ 0.864065235000000, 0.332811616666667, 0.353808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 135 coordinates: [ 0.364065235000000, 0.666144950000000, 0.353808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 136 coordinates: [ 0.864065235000000, 0.666144950000000, 0.353808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 137 coordinates: [ 0.364065235000000, 0.999478283333333, 0.353808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 138 coordinates: [ 0.864065235000000, 0.999478283333333, 0.353808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 139 coordinates: [ 0.364065235000000, 0.332811616666667, 0.853808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 140 coordinates: [ 0.864065235000000, 0.332811616666667, 0.853808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 141 coordinates: [ 0.364065235000000, 0.666144950000000, 0.853808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 142 coordinates: [ 0.864065235000000, 0.666144950000000, 0.853808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 143 coordinates: [ 0.364065235000000, 0.999478283333333, 0.853808615000000 ] mass: 192.217000 reduced_to: 133 - symbol: Ir # 144 coordinates: [ 0.864065235000000, 0.999478283333333, 0.853808615000000 ] mass: 192.217000 reduced_to: 133born_effective_charge:- # 1 (Sb) - [ 2.618957020000000, -0.085399570000000, 0.521089030000000 ] - [ -0.476290310000000, 2.837880320000000, 0.423617390000000 ] - [ -0.035404390000000, 0.081856510000000, 3.219965990000000 ]- # 2 (Sb) - [ 2.618957020000000, 0.085399570000000, 0.521089030000000 ] - [ 0.476290310000000, 2.837880320000000, -0.423617390000000 ] - [ -0.035404390000000, -0.081856510000000, 3.219965990000001 ]- # 3 (Sb) - [ 2.618957020000000, -0.085399570000000, 0.521089030000000 ] - [ -0.476290310000000, 2.837880320000000, 0.423617390000000 ] - [ -0.035404390000000, 0.081856510000000, 3.219965990000001 ]- # 4 (Sb) - [ 2.618957020000000, 0.085399570000000, 0.521089030000000 ] - [ 0.476290310000000, 2.837880320000000, -0.423617390000000 ] - [ -0.035404390000000, -0.081856510000000, 3.219965990000001 ]- # 5 (Sb) - [ 3.363957560000000, 0.150694490000000, -0.188978600000000 ] - [ 0.023584440000000, 2.858267240000000, -0.129582670000000 ] - [ 0.049482700000000, 0.149510830000000, 2.990122060000000 ]- # 6 (Sb) - [ 3.363957560000000, -0.150694490000000, -0.188978600000000 ] - [ -0.023584440000000, 2.858267240000000, 0.129582670000000 ] - [ 0.049482700000000, -0.149510830000000, 2.990122060000000 ]- # 7 (Sb) - [ 3.363957560000000, 0.150694490000000, -0.188978600000000 ] - [ 0.023584440000000, 2.858267240000000, -0.129582670000000 ] - [ 0.049482700000000, 0.149510830000000, 2.990122060000000 ]- # 8 (Sb) - [ 3.363957560000000, -0.150694490000000, -0.188978600000000 ] - [ -0.023584440000000, 2.858267240000000, 0.129582670000000 ] - [ 0.049482700000000, -0.149510830000000, 2.990122060000000 ]- # 9 (Ir) - [ -5.982914580000000, 0.590353420000000, -0.332110440000000 ] - [ 0.209929630000000, -5.696147560000000, -0.104633430000000 ] - [ -0.014078320000000, -0.407466140000000, -6.210088050000001 ]- # 10 (Ir) - [ -5.982914580000000, -0.590353420000000, -0.332110440000000 ] - [ -0.209929630000000, -5.696147560000000, 0.104633430000000 ] - [ -0.014078320000000, 0.407466140000000, -6.210088050000002 ]- # 11 (Ir) - [ -5.982914580000000, 0.590353420000000, -0.332110440000000 ] - [ 0.209929630000000, -5.696147560000000, -0.104633430000000 ] - [ -0.014078320000000, -0.407466140000000, -6.210088050000002 ]- # 12 (Ir) - [ -5.982914580000000, -0.590353420000000, -0.332110440000000 ] - [ -0.209929630000000, -5.696147560000000, 0.104633430000000 ] - [ -0.014078320000000, 0.407466140000000, -6.210088050000002 ]dielectric_constant: - [ 22.151683930000001, 0.000000000000000, -0.969837060000000 ] - [ 0.000000000000000, 24.964870059999999, 0.000000000000000 ] - [ -0.969837390000000, 0.000000000000000, 23.189143749999999 ]displacements:- atom: 1 displacement: [ 0.0099999805866700, 0.0000000000000000, -0.0000197044721447 ] forces: - [ -0.1039277400000000, -0.0224046300000000, 0.0002461200000000 ] - [ 0.0096647800000000, -0.0112919200000000, -0.0012203000000000 ] - [ 0.0094218300000000, -0.0115239700000000, -0.0013429100000000 ] - [ 0.0090590000000000, -0.0112449700000000, -0.0010057000000000 ] - [ 0.0094226900000000, -0.0114994800000000, -0.0013601400000000 ] - [ 0.0090578400000000, -0.0113971900000000, -0.0010870700000000 ] - [ 0.0085817200000000, -0.0115515500000000, -0.0015559400000000 ] - [ 0.0091037300000000, -0.0112445100000000, -0.0006910100000000 ] - [ 0.0089647300000000, -0.0113300600000000, -0.0011103200000000 ] - [ 0.0090409000000000, -0.0112343400000000, -0.0010380800000000 ] - [ 0.0089640400000000, -0.0113976500000000, -0.0010273900000000 ] - [ 0.0090413500000000, -0.0112627500000000, -0.0010060900000000 ] - [ -0.0086216600000000, -0.0111276400000000, 0.0010244600000000 ] - [ -0.0103003500000000, -0.0129135300000000, 0.0022799800000000 ] - [ -0.0086192600000000, -0.0113786500000000, 0.0011444100000000 ] - [ -0.0103050800000000, -0.0069971200000000, 0.0022604200000000 ] - [ -0.0089965800000000, -0.0113229600000000, 0.0010734900000000 ] - [ -0.0089699400000000, -0.0113172700000000, 0.0010428800000000 ] - [ -0.0089647600000000, -0.0112338700000000, 0.0013489900000000 ] - [ -0.0090566700000000, -0.0113751400000000, 0.0008195600000000 ] - [ -0.0089659100000000, -0.0113399700000000, 0.0011175800000000 ] - [ -0.0090553500000000, -0.0111644800000000, 0.0008163300000000 ] - [ -0.0089826500000000, -0.0113367500000000, 0.0010759200000000 ] - [ -0.0090269100000000, -0.0113023900000000, 0.0010321200000000 ] - [ -0.0089331800000000, 0.0112832200000000, 0.0010933600000000 ] - [ -0.0090035200000000, 0.0113214200000000, 0.0010142600000000 ] - [ -0.0080834800000000, 0.0116807800000000, 0.0013180500000000 ] - [ -0.0093461700000000, 0.0113486700000000, 0.0002771400000000 ] - [ -0.0089263200000000, 0.0112559900000000, 0.0010108700000000 ] - [ -0.0088942800000000, 0.0112425600000000, 0.0010424900000000 ] - [ -0.0087466300000000, 0.0115345300000000, 0.0011204300000000 ] - [ -0.0090940800000000, 0.0107765400000000, 0.0008157200000000 ] - [ -0.0077917100000000, 0.0104882400000000, 0.0010892100000000 ] - [ -0.0016861400000000, 0.0183820300000000, -0.0046256100000000 ] - [ -0.0089683400000000, 0.0112667600000000, 0.0009951500000000 ] - [ -0.0091293900000000, 0.0112694000000000, 0.0011534400000000 ] - [ 0.0088391200000000, 0.0131385400000000, -0.0053185000000000 ] - [ 0.0093733700000000, 0.0108622500000000, -0.0006926000000000 ] - [ 0.0088493700000000, 0.0108599400000000, -0.0012701800000000 ] - [ 0.0090546500000000, 0.0113235300000000, -0.0010493400000000 ] - [ 0.0089852500000000, 0.0112824500000000, -0.0010188700000000 ] - [ 0.0090309800000000, 0.0112486000000000, -0.0010258700000000 ] - [ 0.0088293100000000, 0.0086657200000000, -0.0039409000000000 ] - [ 0.0093717200000000, 0.0114924900000000, -0.0007663500000000 ] - [ 0.0088485600000000, 0.0114758500000000, -0.0011921700000000 ] - [ 0.0090556500000000, 0.0113145300000000, -0.0010989200000000 ] - [ 0.0089851500000000, 0.0112352400000000, -0.0010757900000000 ] - [ 0.0090312300000000, 0.0112658700000000, -0.0010335900000000 ] - [ 0.0074902500000000, -0.0126999100000000, 0.0060204300000000 ] - [ 0.0072823100000000, -0.0132408000000000, 0.0062994500000000 ] - [ 0.0073709300000000, -0.0132762100000000, 0.0057215200000000 ] - [ 0.0072531400000000, -0.0125752800000000, 0.0065234600000000 ] - [ 0.0071055700000000, -0.0130534200000000, 0.0061635300000000 ] - [ 0.0072010400000000, -0.0130641800000000, 0.0061698500000000 ] - [ 0.0058120500000000, -0.0123941700000000, 0.0074178600000000 ] - [ 0.0077487300000000, -0.0131920400000000, 0.0059173100000000 ] - [ 0.0055785600000000, -0.0139762100000000, 0.0073888700000000 ] - [ 0.0075949900000000, -0.0130445600000000, 0.0061190900000000 ] - [ 0.0071705700000000, -0.0131026800000000, 0.0061359400000000 ] - [ 0.0072293100000000, -0.0130370100000000, 0.0061901800000000 ] - [ -0.0063846300000000, -0.0127011100000000, -0.0063973400000000 ] - [ -0.0067235100000000, -0.0132004200000000, -0.0006827200000000 ] - [ -0.0071351900000000, -0.0130280000000000, -0.0061257000000000 ] - [ -0.0073511400000000, -0.0127968000000000, -0.0062559000000000 ] - [ -0.0071334400000000, -0.0129895000000000, -0.0062486100000000 ] - [ -0.0071547100000000, -0.0130798400000000, -0.0060445200000000 ] - [ -0.0030256300000000, -0.0118725900000000, -0.0008466800000000 ] - [ -0.0060539900000000, -0.0133482100000000, -0.0064399100000000 ] - [ -0.0070491500000000, -0.0129806800000000, -0.0061135200000000 ] - [ -0.0072199300000000, -0.0129180700000000, -0.0062783500000000 ] - [ -0.0072324200000000, -0.0129683100000000, -0.0061748200000000 ] - [ -0.0071528600000000, -0.0130864500000000, -0.0061620200000000 ] - [ -0.0010281300000000, 0.0149671300000000, -0.0062759500000000 ] - [ 0.0032343100000000, 0.0029350200000000, -0.0051586400000000 ] - [ -0.0067760400000000, 0.0124369300000000, -0.0059874900000000 ] - [ -0.0070401600000000, 0.0132305400000000, -0.0060267400000000 ] - [ -0.0072279100000000, 0.0130671900000000, -0.0061511400000000 ] - [ -0.0072288400000000, 0.0128699700000000, -0.0061919600000000 ] - [ -0.0071587400000000, 0.0128854800000000, -0.0061121800000000 ] - [ -0.0070760500000000, 0.0129535100000000, -0.0061042300000000 ] - [ -0.0071404400000000, 0.0129795500000000, -0.0061822700000000 ] - [ -0.0071005900000000, 0.0130876800000000, -0.0061888400000000 ] - [ -0.0071561500000000, 0.0130101700000000, -0.0061701500000000 ] - [ -0.0071874400000000, 0.0129792300000000, -0.0061770400000000 ] - [ 0.0069967100000000, 0.0171605600000000, 0.0049136100000000 ] - [ 0.0073117100000000, 0.0128396700000000, 0.0063777700000000 ] - [ 0.0314585600000000, -0.0097425200000000, -0.0094241900000000 ] - [ 0.0138030000000000, 0.0159430700000000, 0.0066608200000000 ] - [ 0.0072246300000000, 0.0129964300000000, 0.0061661400000000 ] - [ 0.0072394700000000, 0.0129997900000000, 0.0061644800000000 ] - [ 0.0070012000000000, 0.0130666100000000, 0.0060882000000000 ] - [ 0.0073303300000000, 0.0130495600000000, 0.0061716000000000 ] - [ 0.0075280200000000, 0.0138735800000000, 0.0040311000000000 ] - [ 0.0073266600000000, 0.0130767300000000, 0.0064104900000000 ] - [ 0.0071624400000000, 0.0129547000000000, 0.0061086900000000 ] - [ 0.0072334400000000, 0.0129853700000000, 0.0061396800000000 ] - [ -0.0016580100000000, 0.0056667300000000, -0.0193118900000000 ] - [ -0.0178410400000000, -0.0033251700000000, -0.0176711900000000 ] - [ -0.0186919000000000, -0.0024135900000000, -0.0162594500000000 ] - [ -0.0177069300000000, -0.0046790600000000, -0.0174928400000000 ] - [ -0.0174501600000000, -0.0040067100000000, -0.0173196200000000 ] - [ -0.0175263500000000, -0.0040489700000000, -0.0173414500000000 ] - [ -0.0174507200000000, -0.0040546600000000, -0.0171521300000000 ] - [ -0.0173380300000000, -0.0040872100000000, -0.0175072100000000 ] - [ -0.0176743500000000, -0.0041605900000000, -0.0174820300000000 ] - [ -0.0174669100000000, -0.0043010200000000, -0.0172002100000000 ] - [ -0.0173928600000000, -0.0042202200000000, -0.0173439300000000 ] - [ -0.0174568800000000, -0.0041491000000000, -0.0173768900000000 ] - [ 0.0169272000000000, -0.0049198200000000, 0.0174974200000000 ] - [ 0.0176787800000000, -0.0034001300000000, 0.0170900500000000 ] - [ 0.0172359800000000, -0.0040298100000000, 0.0171048000000000 ] - [ 0.0519014600000000, 0.0067231900000000, 0.0327944200000000 ] - [ 0.0174168200000000, -0.0040535600000000, 0.0172757100000000 ] - [ 0.0174403300000000, -0.0039879200000000, 0.0175134700000000 ] - [ 0.0174736300000000, -0.0043814900000000, 0.0172560700000000 ] - [ 0.0173802400000000, -0.0040904400000000, 0.0174481300000000 ] - [ 0.0173845800000000, -0.0043789100000000, 0.0178361900000000 ] - [ 0.0169373600000000, -0.0041827600000000, 0.0173959200000000 ] - [ 0.0174447000000000, -0.0041406300000000, 0.0173149700000000 ] - [ 0.0174052000000000, -0.0042167800000000, 0.0174067600000000 ] - [ 0.0171779900000000, 0.0042266400000000, 0.0173624600000000 ] - [ 0.0178710900000000, 0.0043932700000000, 0.0166306900000000 ] - [ 0.0172317100000000, 0.0044555100000000, 0.0170258200000000 ] - [ 0.0179756600000000, 0.0036489200000000, 0.0174777100000000 ] - [ 0.0174172000000000, 0.0042860900000000, 0.0173626900000000 ] - [ 0.0174226800000000, 0.0042823400000000, 0.0173316600000000 ] - [ 0.0188390600000000, 0.0053073100000000, 0.0174404700000000 ] - [ 0.0161770600000000, 0.0055698300000000, 0.0181857700000000 ] - [ 0.0176451500000000, 0.0043225600000000, 0.0174512600000000 ] - [ 0.0172996400000000, 0.0040039300000000, 0.0178653200000000 ] - [ 0.0174792900000000, 0.0042786500000000, 0.0173704000000000 ] - [ 0.0174277400000000, 0.0042417100000000, 0.0173362600000000 ] - [ -0.0189680200000000, 0.0049461300000000, -0.0151884600000000 ] - [ -0.0181801100000000, 0.0043164700000000, -0.0191718500000000 ] - [ -0.0173219200000000, 0.0044943800000000, -0.0172988300000000 ] - [ -0.0174240500000000, 0.0042182800000000, -0.0173196600000000 ] - [ -0.0174837300000000, 0.0041963300000000, -0.0171539600000000 ] - [ -0.0173997400000000, 0.0042579300000000, -0.0174120600000000 ] - [ -0.0122329700000000, 0.0028971200000000, -0.0176736700000000 ] - [ -0.0182301400000000, 0.0042978000000000, -0.0174738800000000 ] - [ -0.0173724900000000, 0.0046177900000000, -0.0174851700000000 ] - [ -0.0175082600000000, 0.0040928500000000, -0.0173568400000000 ] - [ -0.0173177000000000, 0.0043801900000000, -0.0174704300000000 ] - [ -0.0176290000000000, 0.0043047100000000, -0.0173487200000000 ]- atom: 1 displacement: [ -0.0099999805866700, 0.0000000000000000, 0.0000197044721447 ] forces: - [ 0.1206600700000000, -0.0011753700000000, -0.0037606700000000 ] - [ 0.0083334000000000, -0.0112851200000000, -0.0008870500000000 ] - [ 0.0085735800000000, -0.0110650500000000, -0.0007614600000000 ] - [ 0.0089348700000000, -0.0113406000000000, -0.0010970100000000 ] - [ 0.0085748900000000, -0.0110860000000000, -0.0007456800000000 ] - [ 0.0089340500000000, -0.0111879300000000, -0.0010172600000000 ] - [ 0.0094131900000000, -0.0110334800000000, -0.0005503600000000 ] - [ 0.0088884500000000, -0.0113395500000000, -0.0014089000000000 ] - [ 0.0090273800000000, -0.0112554900000000, -0.0009934400000000 ] - [ 0.0089510200000000, -0.0113511100000000, -0.0010646500000000 ] - [ 0.0090265800000000, -0.0111896300000000, -0.0010747700000000 ] - [ 0.0089508400000000, -0.0113212100000000, -0.0010969600000000 ] - [ -0.0093775900000000, -0.0114592400000000, 0.0010853100000000 ] - [ -0.0077050000000000, -0.0096613100000000, -0.0001787800000000 ] - [ -0.0093751900000000, -0.0112118600000000, 0.0009567700000000 ] - [ -0.0077097900000000, -0.0155567500000000, -0.0001413200000000 ] - [ -0.0089957200000000, -0.0112620100000000, 0.0010305200000000 ] - [ -0.0090214900000000, -0.0112674100000000, 0.0010599600000000 ] - [ -0.0090263700000000, -0.0113503900000000, 0.0007530500000000 ] - [ -0.0089378000000000, -0.0112090300000000, 0.0012822100000000 ] - [ -0.0090267200000000, -0.0112484700000000, 0.0009857800000000 ] - [ -0.0089366400000000, -0.0114204300000000, 0.0012845000000000 ] - [ -0.0090090100000000, -0.0112487500000000, 0.0010267900000000 ] - [ -0.0089655300000000, -0.0112827700000000, 0.0010700600000000 ] - [ -0.0090593500000000, 0.0113020000000000, 0.0010107200000000 ] - [ -0.0089873700000000, 0.0112643200000000, 0.0010895200000000 ] - [ -0.0099124200000000, 0.0109013500000000, 0.0007873800000000 ] - [ -0.0086509700000000, 0.0112336400000000, 0.0018200300000000 ] - [ -0.0090661700000000, 0.0113282100000000, 0.0010930800000000 ] - [ -0.0090967200000000, 0.0113416900000000, 0.0010613500000000 ] - [ -0.0092447500000000, 0.0110493400000000, 0.0009798300000000 ] - [ -0.0088999400000000, 0.0118058800000000, 0.0012855700000000 ] - [ -0.0102133000000000, 0.0120959900000000, 0.0010121300000000 ] - [ -0.0162190500000000, 0.0043134300000000, 0.0066368300000000 ] - [ -0.0090230100000000, 0.0113170100000000, 0.0011062800000000 ] - [ -0.0088652200000000, 0.0113132900000000, 0.0009515000000000 ] - [ 0.0091633400000000, 0.0094463700000000, 0.0032287600000000 ] - [ 0.0086209700000000, 0.0117233200000000, -0.0014016100000000 ] - [ 0.0091436600000000, 0.0117205500000000, -0.0008342200000000 ] - [ 0.0089368300000000, 0.0112600600000000, -0.0010533900000000 ] - [ 0.0090071900000000, 0.0113011300000000, -0.0010830100000000 ] - [ 0.0089608900000000, 0.0113359800000000, -0.0010759300000000 ] - [ 0.0091480600000000, 0.0139198800000000, 0.0018322200000000 ] - [ 0.0086192800000000, 0.0110945900000000, -0.0013370900000000 ] - [ 0.0091422000000000, 0.0111110800000000, -0.0009091100000000 ] - [ 0.0089383100000000, 0.0112665100000000, -0.0010039100000000 ] - [ 0.0090068700000000, 0.0113489200000000, -0.0010287200000000 ] - [ 0.0089608900000000, 0.0113182500000000, -0.0010694700000000 ] - [ 0.0068590200000000, -0.0133249600000000, 0.0063102400000000 ] - [ 0.0070687100000000, -0.0127850300000000, 0.0060291700000000 ] - [ 0.0069834900000000, -0.0127554600000000, 0.0066051200000000 ] - [ 0.0070984700000000, -0.0134553300000000, 0.0058032400000000 ] - [ 0.0072432900000000, -0.0129739400000000, 0.0061667100000000 ] - [ 0.0071482400000000, -0.0129634800000000, 0.0061598900000000 ] - [ 0.0085510200000000, -0.0136251600000000, 0.0049288300000000 ] - [ 0.0066041800000000, -0.0128343400000000, 0.0064077500000000 ] - [ 0.0087657400000000, -0.0120773100000000, 0.0049455500000000 ] - [ 0.0067573300000000, -0.0129833700000000, 0.0062115200000000 ] - [ 0.0071784200000000, -0.0129257900000000, 0.0061932000000000 ] - [ 0.0071201100000000, -0.0129905100000000, 0.0061386900000000 ] - [ -0.0079609800000000, -0.0133239200000000, -0.0059376600000000 ] - [ -0.0076382400000000, -0.0128258300000000, -0.0116139500000000 ] - [ -0.0072133900000000, -0.0129999300000000, -0.0062036200000000 ] - [ -0.0069993200000000, -0.0132306100000000, -0.0060735900000000 ] - [ -0.0072167400000000, -0.0130386900000000, -0.0060786100000000 ] - [ -0.0071934100000000, -0.0129481000000000, -0.0062848600000000 ] - [ -0.0113233400000000, -0.0141430800000000, -0.0114837000000000 ] - [ -0.0082819000000000, -0.0126886400000000, -0.0058910100000000 ] - [ -0.0073001800000000, -0.0130476100000000, -0.0062141300000000 ] - [ -0.0071293200000000, -0.0131099900000000, -0.0060524100000000 ] - [ -0.0071159000000000, -0.0130588400000000, -0.0061557700000000 ] - [ -0.0071968600000000, -0.0129415600000000, -0.0061679900000000 ] - [ -0.0134050400000000, 0.0110313800000000, -0.0060479100000000 ] - [ -0.0174324600000000, 0.0229135300000000, -0.0071574600000000 ] - [ -0.0075660800000000, 0.0135864200000000, -0.0063437100000000 ] - [ -0.0073077900000000, 0.0127996600000000, -0.0063004900000000 ] - [ -0.0071209700000000, 0.0129588400000000, -0.0061797000000000 ] - [ -0.0071219800000000, 0.0131562100000000, -0.0061375600000000 ] - [ -0.0071906200000000, 0.0131466000000000, -0.0062149400000000 ] - [ -0.0072724400000000, 0.0130761700000000, -0.0062245600000000 ] - [ -0.0072090700000000, 0.0130472200000000, -0.0061465800000000 ] - [ -0.0072457700000000, 0.0129396200000000, -0.0061422300000000 ] - [ -0.0071924100000000, 0.0130172400000000, -0.0061592600000000 ] - [ -0.0071620900000000, 0.0130481900000000, -0.0061529200000000 ] - [ 0.0073644800000000, 0.0088718600000000, 0.0074104700000000 ] - [ 0.0070366100000000, 0.0131850600000000, 0.0059557800000000 ] - [ -0.0174863800000000, 0.0362936300000000, 0.0221287500000000 ] - [ 0.0006118000000000, 0.0100990600000000, 0.0056790300000000 ] - [ 0.0071253100000000, 0.0130296400000000, 0.0061641300000000 ] - [ 0.0071080000000000, 0.0130274700000000, 0.0061662000000000 ] - [ 0.0073470000000000, 0.0129622500000000, 0.0062401100000000 ] - [ 0.0070200400000000, 0.0129772400000000, 0.0061586700000000 ] - [ 0.0067975600000000, 0.0121323800000000, 0.0083369300000000 ] - [ 0.0070273900000000, 0.0129477300000000, 0.0059186800000000 ] - [ 0.0071854800000000, 0.0130726300000000, 0.0062221000000000 ] - [ 0.0071161700000000, 0.0130407500000000, 0.0061895300000000 ] - [ -0.0333447100000000, -0.0144913400000000, -0.0152808400000000 ] - [ -0.0170234900000000, -0.0051200800000000, -0.0170470400000000 ] - [ -0.0161886200000000, -0.0060145300000000, -0.0184482700000000 ] - [ -0.0171669500000000, -0.0037717300000000, -0.0172249700000000 ] - [ -0.0174231900000000, -0.0044447600000000, -0.0173942500000000 ] - [ -0.0173453400000000, -0.0044037600000000, -0.0173729600000000 ] - [ -0.0174204000000000, -0.0044006200000000, -0.0175624000000000 ] - [ -0.0175347900000000, -0.0043664600000000, -0.0172057100000000 ] - [ -0.0171975100000000, -0.0042882000000000, -0.0172258800000000 ] - [ -0.0174066500000000, -0.0041483400000000, -0.0175138500000000 ] - [ -0.0174781400000000, -0.0042329600000000, -0.0173699400000000 ] - [ -0.0174147700000000, -0.0043034100000000, -0.0173366600000000 ] - [ 0.0179449200000000, -0.0035245700000000, 0.0172157100000000 ] - [ 0.0171973000000000, -0.0050480100000000, 0.0176251100000000 ] - [ 0.0175560000000000, -0.0044027000000000, 0.0176488700000000 ] - [ -0.0154362300000000, -0.0143552000000000, 0.0027321800000000 ] - [ 0.0174552100000000, -0.0043970800000000, 0.0174381100000000 ] - [ 0.0174321000000000, -0.0044610300000000, 0.0172010500000000 ] - [ 0.0173974800000000, -0.0040734400000000, 0.0174574700000000 ] - [ 0.0174910300000000, -0.0043631100000000, 0.0172666000000000 ] - [ 0.0174915700000000, -0.0040568200000000, 0.0168399900000000 ] - [ 0.0179310400000000, -0.0042694700000000, 0.0173265700000000 ] - [ 0.0174265400000000, -0.0043109200000000, 0.0173970400000000 ] - [ 0.0174651200000000, -0.0042364200000000, 0.0173081900000000 ] - [ 0.0176935800000000, 0.0042213500000000, 0.0173496500000000 ] - [ 0.0169969500000000, 0.0040600400000000, 0.0180732000000000 ] - [ 0.0176419200000000, 0.0039984900000000, 0.0176900400000000 ] - [ 0.0168964100000000, 0.0048022800000000, 0.0172351200000000 ] - [ 0.0174544900000000, 0.0041668000000000, 0.0173502400000000 ] - [ 0.0174489200000000, 0.0041713400000000, 0.0173819000000000 ] - [ 0.0160145300000000, 0.0031196600000000, 0.0172647400000000 ] - [ 0.0186916500000000, 0.0028860800000000, 0.0165283600000000 ] - [ 0.0172250500000000, 0.0041284000000000, 0.0172597600000000 ] - [ 0.0175737200000000, 0.0044513400000000, 0.0168530700000000 ] - [ 0.0173919300000000, 0.0041763600000000, 0.0173446900000000 ] - [ 0.0174449900000000, 0.0042118700000000, 0.0173782100000000 ] - [ -0.0159293000000000, 0.0035151800000000, -0.0194974300000000 ] - [ -0.0166641900000000, 0.0041358500000000, -0.0155251700000000 ] - [ -0.0175502000000000, 0.0039608900000000, -0.0174145600000000 ] - [ -0.0174455600000000, 0.0042352600000000, -0.0173945100000000 ] - [ -0.0173856000000000, 0.0042597600000000, -0.0175591400000000 ] - [ -0.0174717900000000, 0.0041932000000000, -0.0173027400000000 ] - [ -0.0225511300000000, 0.0055990800000000, -0.0170151500000000 ] - [ -0.0166499500000000, 0.0041567500000000, -0.0172403600000000 ] - [ -0.0174970900000000, 0.0038392100000000, -0.0172298500000000 ] - [ -0.0173650700000000, 0.0043608300000000, -0.0173561100000000 ] - [ -0.0175545300000000, 0.0040734800000000, -0.0172440600000000 ] - [ -0.0172440500000000, 0.0041483400000000, -0.0173650300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009784400000000, -0.1308504900000000, 0.0046380600000000 ] - [ 0.0089929500000000, -0.0113127800000000, -0.0008693200000000 ] - [ 0.0087924200000000, -0.0106871700000000, -0.0009354900000000 ] - [ 0.0088922400000000, -0.0110988500000000, -0.0009584600000000 ] - [ 0.0087641300000000, -0.0106941800000000, -0.0008884500000000 ] - [ 0.0090431900000000, -0.0110988900000000, -0.0010139400000000 ] - [ 0.0087398400000000, -0.0110758400000000, -0.0010433000000000 ] - [ 0.0090434500000000, -0.0117869700000000, -0.0011436100000000 ] - [ 0.0088929800000000, -0.0111107700000000, -0.0009680000000000 ] - [ 0.0090253100000000, -0.0111224100000000, -0.0010688700000000 ] - [ 0.0089584700000000, -0.0111115000000000, -0.0011058000000000 ] - [ 0.0090543000000000, -0.0111228200000000, -0.0010960500000000 ] - [ -0.0089147900000000, -0.0112368500000000, 0.0008240600000000 ] - [ -0.0132561200000000, -0.0057279200000000, -0.0033981400000000 ] - [ -0.0091602400000000, -0.0112359100000000, 0.0013249300000000 ] - [ -0.0073542400000000, -0.0056512100000000, 0.0033922100000000 ] - [ -0.0089651200000000, -0.0111017600000000, 0.0010348300000000 ] - [ -0.0089725100000000, -0.0110225700000000, 0.0009522800000000 ] - [ -0.0089497500000000, -0.0111644500000000, 0.0016872800000000 ] - [ -0.0091232500000000, -0.0113647600000000, 0.0011399600000000 ] - [ -0.0090546500000000, -0.0111648500000000, 0.0008045000000000 ] - [ -0.0089123200000000, -0.0113649100000000, 0.0009849200000000 ] - [ -0.0089516300000000, -0.0110929100000000, 0.0010043500000000 ] - [ -0.0089867900000000, -0.0110908500000000, 0.0010521100000000 ] - [ -0.0090053300000000, 0.0112550900000000, 0.0009884200000000 ] - [ -0.0089691800000000, 0.0115716200000000, 0.0007708700000000 ] - [ -0.0086068200000000, 0.0113524800000000, 0.0008774800000000 ] - [ -0.0089367400000000, 0.0110674000000000, 0.0016936500000000 ] - [ -0.0090315600000000, 0.0115422200000000, 0.0010928700000000 ] - [ -0.0090455100000000, 0.0115182800000000, 0.0010715500000000 ] - [ -0.0087534100000000, 0.0118427900000000, 0.0012038600000000 ] - [ -0.0095087300000000, 0.0115884000000000, 0.0013182600000000 ] - [ -0.0097999900000000, 0.0112087300000000, 0.0006218200000000 ] - [ -0.0019376900000000, 0.0131641800000000, -0.0027249500000000 ] - [ -0.0090209500000000, 0.0115250100000000, 0.0011294200000000 ] - [ -0.0090192300000000, 0.0116139200000000, 0.0011089000000000 ] - [ 0.0116065400000000, 0.0102353100000000, -0.0073071800000000 ] - [ 0.0087968900000000, 0.0107978400000000, -0.0011179200000000 ] - [ 0.0088136400000000, 0.0118441200000000, -0.0009505200000000 ] - [ 0.0089718800000000, 0.0115424900000000, -0.0009015800000000 ] - [ 0.0090522100000000, 0.0115354100000000, -0.0011899700000000 ] - [ 0.0090221600000000, 0.0114399700000000, -0.0011190300000000 ] - [ 0.0071562400000000, 0.0102313500000000, 0.0011049300000000 ] - [ 0.0094261600000000, 0.0107975400000000, -0.0007430400000000 ] - [ 0.0094287000000000, 0.0118473000000000, -0.0015450500000000 ] - [ 0.0089645400000000, 0.0115427700000000, -0.0011542600000000 ] - [ 0.0090063100000000, 0.0115350600000000, -0.0009900600000000 ] - [ 0.0090400000000000, 0.0114402500000000, -0.0010352300000000 ] - [ 0.0073941600000000, -0.0129291000000000, 0.0062615500000000 ] - [ 0.0067102400000000, -0.0129107900000000, 0.0058733800000000 ] - [ 0.0067014100000000, -0.0127678900000000, 0.0063326700000000 ] - [ 0.0073152500000000, -0.0127984900000000, 0.0064030600000000 ] - [ 0.0071690200000000, -0.0128262200000000, 0.0061598000000000 ] - [ 0.0071852800000000, -0.0128248700000000, 0.0061730000000000 ] - [ 0.0084249200000000, -0.0072236600000000, 0.0127477600000000 ] - [ 0.0071196200000000, -0.0130096000000000, 0.0062915700000000 ] - [ 0.0059391100000000, -0.0063268000000000, 0.0030480100000000 ] - [ 0.0072504600000000, -0.0132458800000000, 0.0061549400000000 ] - [ 0.0072254200000000, -0.0127470100000000, 0.0061755600000000 ] - [ 0.0071304900000000, -0.0127923300000000, 0.0061758900000000 ] - [ -0.0073543000000000, -0.0135644300000000, -0.0060169400000000 ] - [ -0.0069067800000000, -0.0151954500000000, -0.0056396900000000 ] - [ -0.0072026800000000, -0.0129738300000000, -0.0061532000000000 ] - [ -0.0070770700000000, -0.0127887600000000, -0.0061113700000000 ] - [ -0.0070214500000000, -0.0127460400000000, -0.0062479200000000 ] - [ -0.0072235100000000, -0.0126818200000000, -0.0064075900000000 ] - [ -0.0081359400000000, -0.0169658900000000, -0.0076082200000000 ] - [ -0.0071500600000000, -0.0137670100000000, -0.0062662700000000 ] - [ -0.0071849700000000, -0.0127313700000000, -0.0063300300000000 ] - [ -0.0071671300000000, -0.0128431300000000, -0.0062029500000000 ] - [ -0.0069342000000000, -0.0126770500000000, -0.0060526900000000 ] - [ -0.0072484400000000, -0.0128390700000000, -0.0061054200000000 ] - [ -0.0017221100000000, 0.0112049700000000, -0.0063223500000000 ] - [ -0.0118145000000000, 0.0119242800000000, -0.0056810700000000 ] - [ -0.0074137100000000, 0.0135805500000000, -0.0059803100000000 ] - [ -0.0066143500000000, 0.0135228400000000, -0.0062439200000000 ] - [ -0.0070899500000000, 0.0132191400000000, -0.0061432300000000 ] - [ -0.0073266200000000, 0.0132594800000000, -0.0061757800000000 ] - [ -0.0070487300000000, 0.0124587100000000, -0.0060356900000000 ] - [ -0.0069253200000000, 0.0125465300000000, -0.0064308700000000 ] - [ -0.0073361000000000, 0.0132780800000000, -0.0062292100000000 ] - [ -0.0072016100000000, 0.0132282200000000, -0.0061183000000000 ] - [ -0.0071591700000000, 0.0131476600000000, -0.0061271300000000 ] - [ -0.0071989900000000, 0.0131314200000000, -0.0061917000000000 ] - [ 0.0103264400000000, 0.0199887600000000, 0.0033559100000000 ] - [ 0.0070513800000000, 0.0131073600000000, 0.0060904000000000 ] - [ -0.0157465800000000, 0.0391264200000000, 0.0215018700000000 ] - [ 0.0103819200000000, 0.0137000100000000, 0.0061975600000000 ] - [ 0.0072145800000000, 0.0132794500000000, 0.0061467300000000 ] - [ 0.0071976400000000, 0.0132780800000000, 0.0061363000000000 ] - [ 0.0071978900000000, 0.0130613200000000, 0.0064151200000000 ] - [ 0.0071998900000000, 0.0131526900000000, 0.0061729700000000 ] - [ 0.0084189600000000, 0.0131568800000000, 0.0027740900000000 ] - [ 0.0070994600000000, 0.0129226500000000, 0.0061700600000000 ] - [ 0.0072157400000000, 0.0133407600000000, 0.0061678700000000 ] - [ 0.0072014900000000, 0.0132209700000000, 0.0061436200000000 ] - [ -0.0075132700000000, 0.0330261300000000, -0.0211731000000000 ] - [ -0.0169861500000000, -0.0037963800000000, -0.0175208300000000 ] - [ -0.0172969200000000, -0.0036122100000000, -0.0173245300000000 ] - [ -0.0180243400000000, -0.0042916700000000, -0.0174459900000000 ] - [ -0.0174042000000000, -0.0049654400000000, -0.0173964800000000 ] - [ -0.0173029800000000, -0.0045924800000000, -0.0174062100000000 ] - [ -0.0175296800000000, -0.0034908000000000, -0.0178247900000000 ] - [ -0.0174145000000000, -0.0038880900000000, -0.0171621700000000 ] - [ -0.0176144600000000, -0.0045006700000000, -0.0169373800000000 ] - [ -0.0174021700000000, -0.0043676800000000, -0.0174454000000000 ] - [ -0.0174267600000000, -0.0045987600000000, -0.0174489400000000 ] - [ -0.0174478700000000, -0.0044770700000000, -0.0173283100000000 ] - [ 0.0169966800000000, -0.0046494800000000, 0.0172711400000000 ] - [ 0.0183163500000000, -0.0045707100000000, 0.0176789800000000 ] - [ 0.0192568000000000, -0.0044686600000000, 0.0159161100000000 ] - [ 0.0243711900000000, 0.0097259400000000, 0.0230801200000000 ] - [ 0.0174613200000000, -0.0046384900000000, 0.0173152500000000 ] - [ 0.0173576500000000, -0.0048118600000000, 0.0173729700000000 ] - [ 0.0174661700000000, -0.0042341300000000, 0.0170378200000000 ] - [ 0.0174257000000000, -0.0042963300000000, 0.0173092500000000 ] - [ 0.0177382100000000, -0.0040073700000000, 0.0184962300000000 ] - [ 0.0171712800000000, -0.0038506500000000, 0.0172917600000000 ] - [ 0.0174292600000000, -0.0045536400000000, 0.0174262700000000 ] - [ 0.0174633600000000, -0.0045982800000000, 0.0173203700000000 ] - [ 0.0174517500000000, 0.0046227900000000, 0.0173007400000000 ] - [ 0.0180048200000000, 0.0044989100000000, 0.0188267500000000 ] - [ 0.0173204500000000, 0.0044231000000000, 0.0174919900000000 ] - [ 0.0171989800000000, 0.0038147100000000, 0.0171774400000000 ] - [ 0.0173934700000000, 0.0039464400000000, 0.0173807400000000 ] - [ 0.0174376600000000, 0.0038395900000000, 0.0174088600000000 ] - [ 0.0169537000000000, 0.0054563000000000, 0.0157327400000000 ] - [ 0.0180194300000000, 0.0049774900000000, 0.0173011100000000 ] - [ 0.0180740200000000, 0.0035315000000000, 0.0178018800000000 ] - [ 0.0173977500000000, 0.0044968100000000, 0.0175528900000000 ] - [ 0.0174144900000000, 0.0038199000000000, 0.0172823300000000 ] - [ 0.0175304700000000, 0.0037614700000000, 0.0173266500000000 ] - [ -0.0152362000000000, 0.0037632000000000, -0.0184962300000000 ] - [ -0.0180981800000000, 0.0042332700000000, -0.0184184600000000 ] - [ -0.0174313000000000, 0.0038420900000000, -0.0173512100000000 ] - [ -0.0174551800000000, 0.0039366400000000, -0.0173896800000000 ] - [ -0.0175876000000000, 0.0038437700000000, -0.0168305600000000 ] - [ -0.0172255800000000, 0.0041558600000000, -0.0172311700000000 ] - [ -0.0185744800000000, 0.0184165400000000, -0.0252390700000000 ] - [ -0.0173899500000000, 0.0047126900000000, -0.0173607600000000 ] - [ -0.0174284200000000, 0.0035083300000000, -0.0173040200000000 ] - [ -0.0173819200000000, 0.0038148800000000, -0.0173197800000000 ] - [ -0.0171961800000000, 0.0037060000000000, -0.0181116200000000 ] - [ -0.0174187500000000, 0.0039778400000000, -0.0174349100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0202313400000000, 0.1096367800000000, -0.0074751600000000 ] - [ 0.0089996200000000, -0.0112738600000000, -0.0012365800000000 ] - [ 0.0092050500000000, -0.0118940600000000, -0.0011702500000000 ] - [ 0.0091015000000000, -0.0114858600000000, -0.0011445500000000 ] - [ 0.0092224400000000, -0.0119010500000000, -0.0012106500000000 ] - [ 0.0089473700000000, -0.0114859400000000, -0.0010901600000000 ] - [ 0.0092574600000000, -0.0115130900000000, -0.0010600600000000 ] - [ 0.0089487000000000, -0.0107966500000000, -0.0009606000000000 ] - [ 0.0091003200000000, -0.0114732300000000, -0.0011367600000000 ] - [ 0.0089674100000000, -0.0114611800000000, -0.0010343100000000 ] - [ 0.0090334300000000, -0.0114736100000000, -0.0009955800000000 ] - [ 0.0089373800000000, -0.0114623500000000, -0.0010069400000000 ] - [ -0.0090808000000000, -0.0113502300000000, 0.0012820400000000 ] - [ -0.0046783600000000, -0.0169373600000000, 0.0055678700000000 ] - [ -0.0088301800000000, -0.0113490000000000, 0.0007779400000000 ] - [ -0.0106166400000000, -0.0168605700000000, -0.0012473900000000 ] - [ -0.0090266200000000, -0.0114827500000000, 0.0010695100000000 ] - [ -0.0090216300000000, -0.0115617000000000, 0.0011503500000000 ] - [ -0.0090445300000000, -0.0114212200000000, 0.0004102100000000 ] - [ -0.0088679800000000, -0.0112197900000000, 0.0009623600000000 ] - [ -0.0089367500000000, -0.0114219100000000, 0.0012965300000000 ] - [ -0.0090786000000000, -0.0112197100000000, 0.0011162900000000 ] - [ -0.0090402600000000, -0.0114925800000000, 0.0010989600000000 ] - [ -0.0090063000000000, -0.0114941800000000, 0.0010497600000000 ] - [ -0.0089864400000000, 0.0113302700000000, 0.0011147900000000 ] - [ -0.0090246400000000, 0.0110119700000000, 0.0013320400000000 ] - [ -0.0093860600000000, 0.0112306600000000, 0.0012254100000000 ] - [ -0.0090543800000000, 0.0115156200000000, 0.0004116000000000 ] - [ -0.0089594900000000, 0.0110421200000000, 0.0010098000000000 ] - [ -0.0089462000000000, 0.0110652700000000, 0.0010316300000000 ] - [ -0.0092393500000000, 0.0107375000000000, 0.0008989000000000 ] - [ -0.0084800900000000, 0.0109950700000000, 0.0007832400000000 ] - [ -0.0081908000000000, 0.0113736200000000, 0.0014792400000000 ] - [ -0.0159905200000000, 0.0094061100000000, 0.0047957000000000 ] - [ -0.0089708400000000, 0.0110585000000000, 0.0009734100000000 ] - [ -0.0089755300000000, 0.0109682800000000, 0.0009961700000000 ] - [ 0.0063767900000000, 0.0123808600000000, 0.0052397400000000 ] - [ 0.0091947000000000, 0.0117898900000000, -0.0009845200000000 ] - [ 0.0091775300000000, 0.0107406500000000, -0.0011568500000000 ] - [ 0.0090192500000000, 0.0110430300000000, -0.0012006500000000 ] - [ 0.0089389300000000, 0.0110489200000000, -0.0009154600000000 ] - [ 0.0089701100000000, 0.0111438100000000, -0.0009835700000000 ] - [ 0.0108396200000000, 0.0123771400000000, -0.0031854100000000 ] - [ 0.0085638300000000, 0.0117896200000000, -0.0013622600000000 ] - [ 0.0085694000000000, 0.0107436200000000, -0.0005618400000000 ] - [ 0.0090290900000000, 0.0110428600000000, -0.0009494800000000 ] - [ 0.0089864400000000, 0.0110483400000000, -0.0011157500000000 ] - [ 0.0089521700000000, 0.0111440900000000, -0.0010675800000000 ] - [ 0.0069543600000000, -0.0131014700000000, 0.0060673100000000 ] - [ 0.0076429200000000, -0.0131165200000000, 0.0064580400000000 ] - [ 0.0076502000000000, -0.0132602800000000, 0.0059932000000000 ] - [ 0.0070363800000000, -0.0132322500000000, 0.0059255500000000 ] - [ 0.0071799700000000, -0.0132008100000000, 0.0061695600000000 ] - [ 0.0071640500000000, -0.0132029300000000, 0.0061564200000000 ] - [ 0.0059046700000000, -0.0189002800000000, -0.0005124700000000 ] - [ 0.0072286100000000, -0.0130176100000000, 0.0060379700000000 ] - [ 0.0083889200000000, -0.0196152800000000, 0.0092308800000000 ] - [ 0.0070998200000000, -0.0127819600000000, 0.0061752800000000 ] - [ 0.0071232400000000, -0.0132813000000000, 0.0061558500000000 ] - [ 0.0072189400000000, -0.0132347800000000, 0.0061538000000000 ] - [ -0.0069971100000000, -0.0124620800000000, -0.0063118600000000 ] - [ -0.0074481100000000, -0.0108347100000000, -0.0067094100000000 ] - [ -0.0071459000000000, -0.0130514300000000, -0.0061763700000000 ] - [ -0.0072734700000000, -0.0132373100000000, -0.0062200500000000 ] - [ -0.0073271700000000, -0.0132827000000000, -0.0060807300000000 ] - [ -0.0071253700000000, -0.0133477800000000, -0.0059220700000000 ] - [ -0.0061754900000000, -0.0090634600000000, -0.0046779300000000 ] - [ -0.0071977700000000, -0.0122596000000000, -0.0060633000000000 ] - [ -0.0071628300000000, -0.0132932300000000, -0.0059998500000000 ] - [ -0.0071810000000000, -0.0131844600000000, -0.0061276700000000 ] - [ -0.0074157300000000, -0.0133525000000000, -0.0062767300000000 ] - [ -0.0071002100000000, -0.0131885000000000, -0.0062251000000000 ] - [ -0.0126609300000000, 0.0148519900000000, -0.0060084300000000 ] - [ -0.0025691600000000, 0.0141474000000000, -0.0066609100000000 ] - [ -0.0069298800000000, 0.0124461200000000, -0.0063446900000000 ] - [ -0.0077314800000000, 0.0125088600000000, -0.0060866000000000 ] - [ -0.0072569300000000, 0.0128080900000000, -0.0061854800000000 ] - [ -0.0070214400000000, 0.0127675500000000, -0.0061527500000000 ] - [ -0.0073024800000000, 0.0135739400000000, -0.0062939600000000 ] - [ -0.0074261100000000, 0.0134822800000000, -0.0058995400000000 ] - [ -0.0070140500000000, 0.0127516200000000, -0.0061008300000000 ] - [ -0.0071478800000000, 0.0127998600000000, -0.0062124500000000 ] - [ -0.0071886900000000, 0.0128784000000000, -0.0062028900000000 ] - [ -0.0071505000000000, 0.0128961500000000, -0.0061381600000000 ] - [ 0.0039950700000000, 0.0059273800000000, 0.0090119400000000 ] - [ 0.0072981400000000, 0.0129182900000000, 0.0062386500000000 ] - [ 0.0295665900000000, -0.0127493500000000, -0.0088279000000000 ] - [ 0.0039373500000000, 0.0123126400000000, 0.0061414700000000 ] - [ 0.0071364000000000, 0.0127485600000000, 0.0061819000000000 ] - [ 0.0071514100000000, 0.0127490600000000, 0.0061939100000000 ] - [ 0.0071526000000000, 0.0129648400000000, 0.0059144700000000 ] - [ 0.0071480100000000, 0.0128726800000000, 0.0061573400000000 ] - [ 0.0059075600000000, 0.0128566500000000, 0.0095812900000000 ] - [ 0.0072506400000000, 0.0131029000000000, 0.0061587000000000 ] - [ 0.0071331500000000, 0.0126869900000000, 0.0061605200000000 ] - [ 0.0071479200000000, 0.0128055800000000, 0.0061856200000000 ] - [ -0.0283123200000000, -0.0433193400000000, -0.0131012800000000 ] - [ -0.0178726000000000, -0.0046664700000000, -0.0171885900000000 ] - [ -0.0176119200000000, -0.0047537900000000, -0.0173660300000000 ] - [ -0.0168504300000000, -0.0041602800000000, -0.0172697200000000 ] - [ -0.0174644500000000, -0.0034915900000000, -0.0173187700000000 ] - [ -0.0175680500000000, -0.0038605100000000, -0.0173086900000000 ] - [ -0.0173442300000000, -0.0049674900000000, -0.0168895300000000 ] - [ -0.0174552800000000, -0.0045661600000000, -0.0175521300000000 ] - [ -0.0172574200000000, -0.0039515400000000, -0.0177693400000000 ] - [ -0.0174711900000000, -0.0040849200000000, -0.0172689800000000 ] - [ -0.0174449600000000, -0.0038534200000000, -0.0172639300000000 ] - [ -0.0174235700000000, -0.0039747500000000, -0.0173850900000000 ] - [ 0.0178753700000000, -0.0038079200000000, 0.0174474600000000 ] - [ 0.0165453600000000, -0.0038844100000000, 0.0170321600000000 ] - [ 0.0156041300000000, -0.0039838100000000, 0.0187993200000000 ] - [ 0.0107173500000000, -0.0180844200000000, 0.0117115300000000 ] - [ 0.0174080700000000, -0.0038137200000000, 0.0173984000000000 ] - [ 0.0175156200000000, -0.0036362400000000, 0.0173419700000000 ] - [ 0.0174054700000000, -0.0042178400000000, 0.0176791600000000 ] - [ 0.0174471000000000, -0.0041572800000000, 0.0174063100000000 ] - [ 0.0171234500000000, -0.0044450300000000, 0.0161965700000000 ] - [ 0.0177013000000000, -0.0046019800000000, 0.0174230000000000 ] - [ 0.0174420500000000, -0.0038990700000000, 0.0172861800000000 ] - [ 0.0174081300000000, -0.0038541500000000, 0.0173952400000000 ] - [ 0.0174203400000000, 0.0038290900000000, 0.0174126000000000 ] - [ 0.0168595200000000, 0.0039538600000000, 0.0158761500000000 ] - [ 0.0175511900000000, 0.0040275600000000, 0.0172218400000000 ] - [ 0.0176710700000000, 0.0046330800000000, 0.0175390800000000 ] - [ 0.0174771800000000, 0.0045088300000000, 0.0173323300000000 ] - [ 0.0174348500000000, 0.0046139600000000, 0.0173056700000000 ] - [ 0.0179129500000000, 0.0029845000000000, 0.0189881500000000 ] - [ 0.0168533700000000, 0.0034701900000000, 0.0174087900000000 ] - [ 0.0168010700000000, 0.0049114900000000, 0.0169138500000000 ] - [ 0.0174731700000000, 0.0039559200000000, 0.0171592600000000 ] - [ 0.0174570400000000, 0.0046345200000000, 0.0174311200000000 ] - [ 0.0173412000000000, 0.0046937800000000, 0.0173874000000000 ] - [ -0.0196379000000000, 0.0046926600000000, -0.0162057000000000 ] - [ -0.0167541800000000, 0.0042160900000000, -0.0162769600000000 ] - [ -0.0174414300000000, 0.0046123500000000, -0.0173607000000000 ] - [ -0.0174145200000000, 0.0045172000000000, -0.0173236000000000 ] - [ -0.0172876500000000, 0.0045992500000000, -0.0178867100000000 ] - [ -0.0176480500000000, 0.0042986400000000, -0.0174835800000000 ] - [ -0.0162405000000000, -0.0099007400000000, -0.0096931500000000 ] - [ -0.0174822800000000, 0.0037393300000000, -0.0173540500000000 ] - [ -0.0174428600000000, 0.0049475100000000, -0.0174127100000000 ] - [ -0.0174907100000000, 0.0046383600000000, -0.0173938400000000 ] - [ -0.0176798800000000, 0.0047457000000000, -0.0165926600000000 ] - [ -0.0174540500000000, 0.0044750300000000, -0.0172804900000000 ]- atom: 1 displacement: [ -0.0042265356520470, 0.0000000000000000, 0.0090629132392391 ] forces: - [ 0.0583574300000000, -0.0018994000000000, -0.0994256300000000 ] - [ 0.0085636400000000, -0.0111248800000000, -0.0012361400000000 ] - [ 0.0085404400000000, -0.0110511000000000, -0.0008083800000000 ] - [ 0.0089384100000000, -0.0112787400000000, -0.0011026800000000 ] - [ 0.0085566000000000, -0.0110989200000000, -0.0008038300000000 ] - [ 0.0090106700000000, -0.0111644200000000, -0.0010682200000000 ] - [ 0.0087208900000000, -0.0111727900000000, -0.0003558800000000 ] - [ 0.0092757100000000, -0.0113962400000000, -0.0000440300000000 ] - [ 0.0090320500000000, -0.0113265400000000, -0.0009651300000000 ] - [ 0.0090182300000000, -0.0113576500000000, -0.0009649100000000 ] - [ 0.0089567200000000, -0.0111723000000000, -0.0009980700000000 ] - [ 0.0089892400000000, -0.0113197600000000, -0.0009780000000000 ] - [ -0.0090721800000000, -0.0116075000000000, 0.0009192700000000 ] - [ -0.0073630200000000, -0.0127043400000000, 0.0006589000000000 ] - [ -0.0091836200000000, -0.0110502100000000, 0.0008654200000000 ] - [ -0.0073351100000000, -0.0090490500000000, 0.0006761500000000 ] - [ -0.0089767800000000, -0.0112635800000000, 0.0010025800000000 ] - [ -0.0090150700000000, -0.0111924600000000, 0.0010479400000000 ] - [ -0.0089488600000000, -0.0110941700000000, 0.0013000400000000 ] - [ -0.0091812900000000, -0.0111966700000000, 0.0013248800000000 ] - [ -0.0087379900000000, -0.0118525400000000, 0.0013975100000000 ] - [ -0.0091797400000000, -0.0114271000000000, 0.0013238400000000 ] - [ -0.0089792300000000, -0.0112309600000000, 0.0010319200000000 ] - [ -0.0090006700000000, -0.0112892000000000, 0.0010880100000000 ] - [ -0.0089856900000000, 0.0112387500000000, 0.0012059100000000 ] - [ -0.0090247200000000, 0.0110269600000000, 0.0014149600000000 ] - [ -0.0091395300000000, 0.0109690000000000, 0.0019661600000000 ] - [ -0.0095490800000000, 0.0118495600000000, 0.0016105700000000 ] - [ -0.0090630000000000, 0.0113446600000000, 0.0010877200000000 ] - [ -0.0090472200000000, 0.0113307800000000, 0.0011093100000000 ] - [ -0.0090379500000000, 0.0113286600000000, 0.0010540400000000 ] - [ -0.0091681100000000, 0.0117515300000000, 0.0008546300000000 ] - [ -0.0094746000000000, 0.0112396100000000, -0.0006310600000000 ] - [ -0.0171157600000000, 0.0049598200000000, 0.0027135100000000 ] - [ -0.0090577200000000, 0.0113731600000000, 0.0011637000000000 ] - [ -0.0088501200000000, 0.0113518800000000, 0.0009006400000000 ] - [ 0.0064513300000000, 0.0085507500000000, 0.0062134000000000 ] - [ 0.0090944500000000, 0.0111957700000000, -0.0010162400000000 ] - [ 0.0089322600000000, 0.0119179000000000, -0.0007074500000000 ] - [ 0.0089278700000000, 0.0113708800000000, -0.0010438200000000 ] - [ 0.0089794500000000, 0.0112389000000000, -0.0011544300000000 ] - [ 0.0089973100000000, 0.0112962300000000, -0.0010667400000000 ] - [ 0.0052382500000000, 0.0180241200000000, 0.0055236000000000 ] - [ 0.0091580000000000, 0.0112693800000000, -0.0009859700000000 ] - [ 0.0088626500000000, 0.0111222600000000, -0.0007389800000000 ] - [ 0.0089731300000000, 0.0111466000000000, -0.0010233500000000 ] - [ 0.0090297900000000, 0.0114399600000000, -0.0011312700000000 ] - [ 0.0090036700000000, 0.0113644000000000, -0.0010639300000000 ] - [ 0.0064922100000000, -0.0135259200000000, 0.0067163500000000 ] - [ 0.0074540900000000, -0.0130745400000000, 0.0064569200000000 ] - [ 0.0067845900000000, -0.0129589400000000, 0.0067922200000000 ] - [ 0.0073039100000000, -0.0127491000000000, 0.0064485200000000 ] - [ 0.0072160400000000, -0.0129467500000000, 0.0061798200000000 ] - [ 0.0071909000000000, -0.0129555800000000, 0.0062131100000000 ] - [ 0.0084361500000000, -0.0110508600000000, 0.0052410600000000 ] - [ 0.0069841100000000, -0.0129242100000000, 0.0059448500000000 ] - [ 0.0085163500000000, -0.0192423700000000, 0.0053755600000000 ] - [ 0.0071138300000000, -0.0131619100000000, 0.0059899900000000 ] - [ 0.0071090400000000, -0.0129351000000000, 0.0061393100000000 ] - [ 0.0071507600000000, -0.0129840200000000, 0.0061239800000000 ] - [ -0.0076379900000000, -0.0132092400000000, -0.0055013000000000 ] - [ -0.0044031900000000, -0.0140020800000000, -0.0019561500000000 ] - [ -0.0071704500000000, -0.0129920700000000, -0.0061170400000000 ] - [ -0.0070588900000000, -0.0129344000000000, -0.0060077200000000 ] - [ -0.0072520100000000, -0.0130170700000000, -0.0062401400000000 ] - [ -0.0071128300000000, -0.0130681200000000, -0.0062180300000000 ] - [ 0.0013091600000000, -0.0120982800000000, -0.0002058600000000 ] - [ -0.0081085700000000, -0.0125244100000000, -0.0055666100000000 ] - [ -0.0072334200000000, -0.0133135500000000, -0.0063056400000000 ] - [ -0.0072824600000000, -0.0130843200000000, -0.0062255400000000 ] - [ -0.0070993300000000, -0.0129193800000000, -0.0060851100000000 ] - [ -0.0071773500000000, -0.0129783600000000, -0.0061285900000000 ] - [ -0.0109514900000000, 0.0113217400000000, -0.0075281000000000 ] - [ -0.0081807700000000, 0.0151333900000000, -0.0088779100000000 ] - [ -0.0074365700000000, 0.0133455700000000, -0.0065067300000000 ] - [ -0.0069283200000000, 0.0127749000000000, -0.0064971000000000 ] - [ -0.0071243900000000, 0.0130572300000000, -0.0062225100000000 ] - [ -0.0072273200000000, 0.0130406700000000, -0.0062192200000000 ] - [ -0.0069914800000000, 0.0136957900000000, -0.0054799000000000 ] - [ -0.0072186000000000, 0.0129626400000000, -0.0055845000000000 ] - [ -0.0071720000000000, 0.0129848500000000, -0.0060490300000000 ] - [ -0.0071510900000000, 0.0130600200000000, -0.0059770400000000 ] - [ -0.0071402700000000, 0.0130479700000000, -0.0060875700000000 ] - [ -0.0071604600000000, 0.0130284200000000, -0.0060905500000000 ] - [ 0.0064927200000000, 0.0094186700000000, 0.0056334600000000 ] - [ 0.0072507300000000, 0.0129922100000000, 0.0059607900000000 ] - [ -0.0169658900000000, 0.0361557000000000, 0.0243367500000000 ] - [ 0.0071479500000000, 0.0131085400000000, 0.0051518900000000 ] - [ 0.0071109200000000, 0.0130227900000000, 0.0061928000000000 ] - [ 0.0072362500000000, 0.0130606200000000, 0.0061536900000000 ] - [ 0.0072429600000000, 0.0131237100000000, 0.0064454800000000 ] - [ 0.0071700300000000, 0.0129700600000000, 0.0063272700000000 ] - [ 0.0048505000000000, 0.0095205900000000, 0.0133450100000000 ] - [ 0.0073398500000000, 0.0128585500000000, 0.0063190500000000 ] - [ 0.0071446700000000, 0.0130783200000000, 0.0063130500000000 ] - [ 0.0071367900000000, 0.0130472400000000, 0.0062033600000000 ] - [ -0.0261130200000000, -0.0135617100000000, -0.0050089100000000 ] - [ -0.0174307800000000, -0.0043428600000000, -0.0165912600000000 ] - [ -0.0161496400000000, -0.0059449300000000, -0.0176740900000000 ] - [ -0.0172975300000000, -0.0042995400000000, -0.0168455400000000 ] - [ -0.0174162000000000, -0.0045831900000000, -0.0173113800000000 ] - [ -0.0174341900000000, -0.0042487800000000, -0.0172631100000000 ] - [ -0.0171885200000000, -0.0050023100000000, -0.0177016600000000 ] - [ -0.0178769400000000, -0.0043380800000000, -0.0179413900000000 ] - [ -0.0170935000000000, -0.0037448900000000, -0.0176669300000000 ] - [ -0.0174026900000000, -0.0041160500000000, -0.0177352800000000 ] - [ -0.0174281900000000, -0.0044494800000000, -0.0174923600000000 ] - [ -0.0174455900000000, -0.0042935000000000, -0.0174106500000000 ] - [ 0.0175425000000000, -0.0043756600000000, 0.0173988600000000 ] - [ 0.0174344300000000, -0.0042981800000000, 0.0175242500000000 ] - [ 0.0207178600000000, -0.0048720800000000, 0.0169045800000000 ] - [ 0.0158222400000000, -0.0039734700000000, 0.0241323800000000 ] - [ 0.0174471700000000, -0.0044261300000000, 0.0174615200000000 ] - [ 0.0172067000000000, -0.0046945800000000, 0.0173718300000000 ] - [ 0.0173859000000000, -0.0042583900000000, 0.0172625300000000 ] - [ 0.0175000600000000, -0.0041834600000000, 0.0172292300000000 ] - [ 0.0162077000000000, -0.0041059400000000, 0.0142410000000000 ] - [ 0.0178490100000000, -0.0044603600000000, 0.0166966400000000 ] - [ 0.0174757900000000, -0.0042523500000000, 0.0173858000000000 ] - [ 0.0174210600000000, -0.0041701700000000, 0.0172449700000000 ] - [ 0.0177219100000000, 0.0043058500000000, 0.0169205100000000 ] - [ 0.0169906700000000, 0.0048139500000000, 0.0162420500000000 ] - [ 0.0173683300000000, 0.0039612400000000, 0.0171441900000000 ] - [ 0.0171217500000000, 0.0039115100000000, 0.0168661100000000 ] - [ 0.0174273500000000, 0.0041598600000000, 0.0173007100000000 ] - [ 0.0174375600000000, 0.0041946900000000, 0.0173249400000000 ] - [ 0.0162251500000000, 0.0037372000000000, 0.0177054600000000 ] - [ 0.0182752000000000, 0.0032490300000000, 0.0172105400000000 ] - [ 0.0170972900000000, 0.0053801500000000, 0.0179250300000000 ] - [ 0.0177957900000000, 0.0043342100000000, 0.0176613300000000 ] - [ 0.0174049200000000, 0.0040972900000000, 0.0174065700000000 ] - [ 0.0174168500000000, 0.0041798300000000, 0.0174240900000000 ] - [ -0.0184962800000000, 0.0044234900000000, -0.0170333800000000 ] - [ -0.0188757800000000, 0.0036222300000000, -0.0185155500000000 ] - [ -0.0174763200000000, 0.0040164800000000, -0.0173878700000000 ] - [ -0.0175318900000000, 0.0041564200000000, -0.0173555300000000 ] - [ -0.0171050100000000, 0.0049848000000000, -0.0177400100000000 ] - [ -0.0175491300000000, 0.0043337600000000, -0.0173947500000000 ] - [ -0.0231701700000000, -0.0037105400000000, 0.0182564400000000 ] - [ -0.0171739800000000, 0.0043838700000000, -0.0175232800000000 ] - [ -0.0172491600000000, 0.0039843600000000, -0.0172607100000000 ] - [ -0.0173273100000000, 0.0042392500000000, -0.0173663000000000 ] - [ -0.0178262400000000, 0.0036430000000000, -0.0171523000000000 ] - [ -0.0173556500000000, 0.0040535400000000, -0.0173361600000000 ]- atom: 1 displacement: [ 0.0042265356520470, 0.0000000000000000, -0.0090629132392391 ] forces: - [ -0.0398103400000000, -0.0218422100000000, 0.0992607300000000 ] - [ 0.0094294500000000, -0.0114603700000000, -0.0008683600000000 ] - [ 0.0094537600000000, -0.0115370400000000, -0.0012943500000000 ] - [ 0.0090546800000000, -0.0113070000000000, -0.0010003500000000 ] - [ 0.0094404500000000, -0.0114865200000000, -0.0013035300000000 ] - [ 0.0089802500000000, -0.0114213700000000, -0.0010346800000000 ] - [ 0.0092770100000000, -0.0114076100000000, -0.0017490300000000 ] - [ 0.0087120200000000, -0.0111902000000000, -0.0020625600000000 ] - [ 0.0089615700000000, -0.0112592600000000, -0.0011388100000000 ] - [ 0.0089734200000000, -0.0112277100000000, -0.0011386100000000 ] - [ 0.0090356200000000, -0.0114135100000000, -0.0011023600000000 ] - [ 0.0090023900000000, -0.0112643600000000, -0.0011249000000000 ] - [ -0.0089221300000000, -0.0109729100000000, 0.0011840600000000 ] - [ -0.0106344400000000, -0.0098793500000000, 0.0014327600000000 ] - [ -0.0088081300000000, -0.0115355400000000, 0.0012348900000000 ] - [ -0.0106581200000000, -0.0135495300000000, 0.0014255300000000 ] - [ -0.0090152300000000, -0.0113211800000000, 0.0011008600000000 ] - [ -0.0089771900000000, -0.0113927900000000, 0.0010550500000000 ] - [ -0.0090442700000000, -0.0114898200000000, 0.0008025500000000 ] - [ -0.0088079600000000, -0.0113861300000000, 0.0007794300000000 ] - [ -0.0092532700000000, -0.0107351800000000, 0.0007043700000000 ] - [ -0.0088117600000000, -0.0111582600000000, 0.0007758700000000 ] - [ -0.0090125900000000, -0.0113541700000000, 0.0010709000000000 ] - [ -0.0089915900000000, -0.0112959200000000, 0.0010147400000000 ] - [ -0.0090074800000000, 0.0113462400000000, 0.0008976300000000 ] - [ -0.0089638100000000, 0.0115593600000000, 0.0006889700000000 ] - [ -0.0088515900000000, 0.0116136800000000, 0.0001358500000000 ] - [ -0.0084467100000000, 0.0107378300000000, 0.0004905200000000 ] - [ -0.0089293300000000, 0.0112395100000000, 0.0010149300000000 ] - [ -0.0089435800000000, 0.0112531500000000, 0.0009943300000000 ] - [ -0.0089550800000000, 0.0112572500000000, 0.0010451100000000 ] - [ -0.0088227700000000, 0.0108321500000000, 0.0012515200000000 ] - [ -0.0085141500000000, 0.0113370200000000, 0.0027297200000000 ] - [ -0.0007723200000000, 0.0177153400000000, -0.0006202000000000 ] - [ -0.0089347000000000, 0.0112105000000000, 0.0009389500000000 ] - [ -0.0091435200000000, 0.0112313700000000, 0.0012042300000000 ] - [ 0.0115200000000000, 0.0139965500000000, -0.0082160900000000 ] - [ 0.0088951000000000, 0.0113928200000000, -0.0010878700000000 ] - [ 0.0090628000000000, 0.0106637400000000, -0.0013989500000000 ] - [ 0.0090635800000000, 0.0112132300000000, -0.0010582600000000 ] - [ 0.0090129400000000, 0.0113449100000000, -0.0009482100000000 ] - [ 0.0089945700000000, 0.0112886400000000, -0.0010358300000000 ] - [ 0.0128213900000000, 0.0044423200000000, -0.0077346600000000 ] - [ 0.0088328700000000, 0.0113169800000000, -0.0011163800000000 ] - [ 0.0091316300000000, 0.0114633800000000, -0.0013665500000000 ] - [ 0.0090194100000000, 0.0114376800000000, -0.0010796600000000 ] - [ 0.0089620100000000, 0.0111433300000000, -0.0009718900000000 ] - [ 0.0089878600000000, 0.0112200400000000, -0.0010393300000000 ] - [ 0.0078386600000000, -0.0125130400000000, 0.0056216600000000 ] - [ 0.0068941500000000, -0.0129503800000000, 0.0058717800000000 ] - [ 0.0075675800000000, -0.0130745900000000, 0.0055372700000000 ] - [ 0.0070445400000000, -0.0132827400000000, 0.0058767800000000 ] - [ 0.0071319800000000, -0.0130807500000000, 0.0061501600000000 ] - [ 0.0071585800000000, -0.0130720800000000, 0.0061166100000000 ] - [ 0.0059087200000000, -0.0149666200000000, 0.0071087600000000 ] - [ 0.0073639500000000, -0.0130998600000000, 0.0063842500000000 ] - [ 0.0058083200000000, -0.0067441000000000, 0.0069734800000000 ] - [ 0.0072380800000000, -0.0128665500000000, 0.0063399500000000 ] - [ 0.0072404800000000, -0.0130921900000000, 0.0061896200000000 ] - [ 0.0071986300000000, -0.0130433600000000, 0.0062057100000000 ] - [ -0.0067089400000000, -0.0128142300000000, -0.0068289300000000 ] - [ -0.0099415600000000, -0.0120296900000000, -0.0103655400000000 ] - [ -0.0071788100000000, -0.0130353000000000, -0.0062127100000000 ] - [ -0.0072911400000000, -0.0130942700000000, -0.0063220600000000 ] - [ -0.0070992000000000, -0.0130112300000000, -0.0060889300000000 ] - [ -0.0072352200000000, -0.0129586300000000, -0.0061119900000000 ] - [ -0.0157314600000000, -0.0139176900000000, -0.0121069400000000 ] - [ -0.0062315900000000, -0.0135131700000000, -0.0067720300000000 ] - [ -0.0071165100000000, -0.0127132700000000, -0.0060234100000000 ] - [ -0.0070657100000000, -0.0129435000000000, -0.0061039900000000 ] - [ -0.0072500100000000, -0.0131080000000000, -0.0062459200000000 ] - [ -0.0071720200000000, -0.0130492900000000, -0.0062012300000000 ] - [ -0.0034175600000000, 0.0146998200000000, -0.0048167400000000 ] - [ -0.0062170100000000, 0.0109173000000000, -0.0034431100000000 ] - [ -0.0069104700000000, 0.0126791900000000, -0.0058217900000000 ] - [ -0.0074222000000000, 0.0132552000000000, -0.0058301900000000 ] - [ -0.0072257300000000, 0.0129682800000000, -0.0061076200000000 ] - [ -0.0071206300000000, 0.0129872000000000, -0.0061099000000000 ] - [ -0.0073671700000000, 0.0123369500000000, -0.0068518000000000 ] - [ -0.0071282300000000, 0.0130646300000000, -0.0067447300000000 ] - [ -0.0071765200000000, 0.0130417600000000, -0.0062809200000000 ] - [ -0.0071966400000000, 0.0129666100000000, -0.0063545300000000 ] - [ -0.0072089200000000, 0.0129790600000000, -0.0062421800000000 ] - [ -0.0071883900000000, 0.0129987200000000, -0.0062385300000000 ] - [ 0.0078702600000000, 0.0166239500000000, 0.0066926200000000 ] - [ 0.0070985100000000, 0.0130353400000000, 0.0063700900000000 ] - [ 0.0307975200000000, -0.0095719400000000, -0.0118215500000000 ] - [ 0.0071605300000000, 0.0128938300000000, 0.0071826300000000 ] - [ 0.0072387200000000, 0.0130035400000000, 0.0061370600000000 ] - [ 0.0071116800000000, 0.0129660500000000, 0.0061766200000000 ] - [ 0.0071041000000000, 0.0129005100000000, 0.0058827400000000 ] - [ 0.0071795300000000, 0.0130577300000000, 0.0060016500000000 ] - [ 0.0095063500000000, 0.0165360100000000, -0.0010978900000000 ] - [ 0.0070126600000000, 0.0131668300000000, 0.0060099400000000 ] - [ 0.0072036700000000, 0.0129502000000000, 0.0060168400000000 ] - [ 0.0072124900000000, 0.0129792400000000, 0.0061257100000000 ] - [ -0.0088875600000000, 0.0048278800000000, -0.0297260800000000 ] - [ -0.0174389200000000, -0.0041148100000000, -0.0181262900000000 ] - [ -0.0187227800000000, -0.0024845400000000, -0.0170340600000000 ] - [ -0.0175776600000000, -0.0041510500000000, -0.0178725900000000 ] - [ -0.0174566500000000, -0.0038686300000000, -0.0174026300000000 ] - [ -0.0174374100000000, -0.0042045600000000, -0.0174521200000000 ] - [ -0.0176753700000000, -0.0034413300000000, -0.0170211700000000 ] - [ -0.0169962100000000, -0.0041147900000000, -0.0167716900000000 ] - [ -0.0177798600000000, -0.0047058400000000, -0.0170480700000000 ] - [ -0.0174697000000000, -0.0043346600000000, -0.0169762500000000 ] - [ -0.0174435700000000, -0.0040029900000000, -0.0172215900000000 ] - [ -0.0174261700000000, -0.0041594100000000, -0.0173033600000000 ] - [ 0.0173326300000000, -0.0040712200000000, 0.0173139000000000 ] - [ 0.0174375400000000, -0.0041548500000000, 0.0171914100000000 ] - [ 0.0141359600000000, -0.0035735300000000, 0.0178305000000000 ] - [ 0.0189801400000000, -0.0044596300000000, 0.0104686400000000 ] - [ 0.0174247100000000, -0.0040257600000000, 0.0172522000000000 ] - [ 0.0176661700000000, -0.0037554600000000, 0.0173413800000000 ] - [ 0.0174860200000000, -0.0041956100000000, 0.0174523400000000 ] - [ 0.0173702400000000, -0.0042714300000000, 0.0174846300000000 ] - [ 0.0186596000000000, -0.0043380000000000, 0.0204382000000000 ] - [ 0.0170207600000000, -0.0039935700000000, 0.0180209000000000 ] - [ 0.0173960700000000, -0.0041999500000000, 0.0173273700000000 ] - [ 0.0174496500000000, -0.0042821700000000, 0.0174698200000000 ] - [ 0.0171537100000000, 0.0041424600000000, 0.0177935100000000 ] - [ 0.0178740600000000, 0.0036309600000000, 0.0184729900000000 ] - [ 0.0175044100000000, 0.0044926400000000, 0.0175694400000000 ] - [ 0.0177488800000000, 0.0045450300000000, 0.0178478900000000 ] - [ 0.0174444700000000, 0.0042933100000000, 0.0174126600000000 ] - [ 0.0174340000000000, 0.0042602400000000, 0.0173885700000000 ] - [ 0.0186507100000000, 0.0047134900000000, 0.0170078000000000 ] - [ 0.0165974100000000, 0.0052034800000000, 0.0174976000000000 ] - [ 0.0177766400000000, 0.0030650300000000, 0.0167879000000000 ] - [ 0.0170716200000000, 0.0041207700000000, 0.0170470600000000 ] - [ 0.0174670600000000, 0.0043567100000000, 0.0173081900000000 ] - [ 0.0174555100000000, 0.0042743700000000, 0.0172901500000000 ] - [ -0.0164353600000000, 0.0040531000000000, -0.0176109000000000 ] - [ -0.0159712600000000, 0.0048383800000000, -0.0161802600000000 ] - [ -0.0173958600000000, 0.0044392600000000, -0.0173264600000000 ] - [ -0.0173383500000000, 0.0042976100000000, -0.0173585900000000 ] - [ -0.0177661400000000, 0.0034750300000000, -0.0169745600000000 ] - [ -0.0173226800000000, 0.0041176000000000, -0.0173195400000000 ] - [ -0.0114455000000000, 0.0129580700000000, -0.0549239500000000 ] - [ -0.0177062900000000, 0.0040714000000000, -0.0171917500000000 ] - [ -0.0176227100000000, 0.0044705600000000, -0.0174540300000000 ] - [ -0.0175452700000000, 0.0042150700000000, -0.0173467700000000 ] - [ -0.0170411000000000, 0.0048124800000000, -0.0175637800000000 ] - [ -0.0175163800000000, 0.0043982800000000, -0.0173774100000000 ]- atom: 49 displacement: [ 0.0099999805866700, 0.0000000000000000, -0.0000197044721447 ] forces: - [ 0.0093103100000000, -0.0110744700000000, -0.0016466900000000 ] - [ 0.0091031300000000, -0.0117569900000000, -0.0006946400000000 ] - [ 0.0089274400000000, -0.0112983000000000, -0.0010383500000000 ] - [ 0.0090221800000000, -0.0112820200000000, -0.0010216300000000 ] - [ 0.0091893300000000, -0.0117659600000000, -0.0013964700000000 ] - [ 0.0090731900000000, -0.0111526500000000, -0.0008726400000000 ] - [ 0.0076244300000000, -0.0100584500000000, -0.0002976700000000 ] - [ 0.0095676400000000, -0.0113470700000000, -0.0009946200000000 ] - [ 0.0089923200000000, -0.0112416100000000, -0.0011261800000000 ] - [ 0.0090508300000000, -0.0113366400000000, -0.0010521600000000 ] - [ 0.0073951700000000, -0.0125033900000000, -0.0003073800000000 ] - [ 0.0094158600000000, -0.0112172600000000, -0.0009212200000000 ] - [ -0.0048393100000000, -0.0103144900000000, 0.0123168000000000 ] - [ -0.0078842000000000, -0.0113148600000000, 0.0005329700000000 ] - [ -0.0090546300000000, -0.0115326400000000, 0.0011065400000000 ] - [ -0.0089738400000000, -0.0112191000000000, 0.0010594200000000 ] - [ -0.0088707800000000, -0.0112810900000000, 0.0010445600000000 ] - [ -0.0090416900000000, -0.0112995700000000, 0.0009108600000000 ] - [ -0.0082072300000000, -0.0111135600000000, 0.0009051400000000 ] - [ -0.0085430500000000, -0.0115696800000000, 0.0043018100000000 ] - [ -0.0089545700000000, -0.0114452400000000, 0.0009858400000000 ] - [ -0.0089770100000000, -0.0112442600000000, 0.0011283500000000 ] - [ -0.0089567500000000, -0.0112632400000000, 0.0010736600000000 ] - [ -0.0091721200000000, -0.0113903000000000, 0.0010971500000000 ] - [ -0.0028613700000000, 0.0167247000000000, -0.0002020000000000 ] - [ 0.0014020700000000, 0.0066291700000000, 0.0048341600000000 ] - [ -0.0086036300000000, 0.0110499500000000, 0.0009469000000000 ] - [ -0.0088637400000000, 0.0118499600000000, 0.0013871900000000 ] - [ -0.0090494300000000, 0.0113750500000000, 0.0010829100000000 ] - [ -0.0090500400000000, 0.0111390800000000, 0.0009678400000000 ] - [ -0.0089799900000000, 0.0114196800000000, 0.0012648300000000 ] - [ -0.0088983500000000, 0.0115437700000000, 0.0010452300000000 ] - [ -0.0089621000000000, 0.0111315100000000, 0.0010702000000000 ] - [ -0.0089232800000000, 0.0112658400000000, 0.0011112900000000 ] - [ -0.0089776300000000, 0.0113065100000000, 0.0010974300000000 ] - [ -0.0090085500000000, 0.0112679600000000, 0.0010611800000000 ] - [ 0.0336356100000000, 0.0342557700000000, -0.0162399500000000 ] - [ 0.0155521900000000, 0.0080897600000000, 0.0019981100000000 ] - [ 0.0090453500000000, 0.0112529700000000, -0.0010994400000000 ] - [ 0.0090619000000000, 0.0112687900000000, -0.0009525300000000 ] - [ 0.0088107600000000, 0.0081327200000000, -0.0018929000000000 ] - [ 0.0091334400000000, 0.0114133000000000, -0.0009042000000000 ] - [ 0.0093613400000000, 0.0100260400000000, -0.0034716700000000 ] - [ 0.0091451900000000, 0.0113673700000000, -0.0008015700000000 ] - [ 0.0089847500000000, 0.0112513300000000, -0.0010899500000000 ] - [ 0.0090544100000000, 0.0112653000000000, -0.0010659000000000 ] - [ 0.0088237000000000, 0.0112700700000000, -0.0010565400000000 ] - [ 0.0091511400000000, 0.0112662600000000, -0.0009846600000000 ] - [ -0.1254296500000000, 0.0148743000000000, 0.0375036100000000 ] - [ 0.0084729900000000, -0.0128479200000000, 0.0058531000000000 ] - [ 0.0073868900000000, -0.0126730900000000, 0.0058203600000000 ] - [ 0.0073539000000000, -0.0131181900000000, 0.0062200300000000 ] - [ 0.0073866400000000, -0.0130012700000000, 0.0058161500000000 ] - [ 0.0073549800000000, -0.0130336300000000, 0.0061684200000000 ] - [ 0.0069434200000000, -0.0128141900000000, 0.0055068200000000 ] - [ 0.0070998900000000, -0.0127796900000000, 0.0070000800000000 ] - [ 0.0070522700000000, -0.0130226800000000, 0.0060659800000000 ] - [ 0.0072763800000000, -0.0130777200000000, 0.0062560000000000 ] - [ 0.0070519700000000, -0.0129709300000000, 0.0062131000000000 ] - [ 0.0072767200000000, -0.0130324100000000, 0.0062196000000000 ] - [ -0.0085096500000000, -0.0199490000000000, -0.0051803200000000 ] - [ -0.0058007800000000, -0.0127973000000000, -0.0060095400000000 ] - [ -0.0071529700000000, -0.0130097600000000, -0.0062065800000000 ] - [ -0.0071603400000000, -0.0129718700000000, -0.0061228800000000 ] - [ -0.0085053600000000, -0.0104288100000000, -0.0052159100000000 ] - [ -0.0057817100000000, -0.0139530700000000, -0.0071120300000000 ] - [ -0.0074948600000000, -0.0130415200000000, -0.0065526300000000 ] - [ -0.0071632800000000, -0.0131744800000000, -0.0058483300000000 ] - [ -0.0072367200000000, -0.0130395400000000, -0.0062037900000000 ] - [ -0.0070796300000000, -0.0129923300000000, -0.0061316400000000 ] - [ -0.0074929200000000, -0.0130327100000000, -0.0064018600000000 ] - [ -0.0071646600000000, -0.0130764900000000, -0.0059447800000000 ] - [ -0.0094673100000000, 0.0126229300000000, -0.0073148400000000 ] - [ -0.0065227400000000, 0.0128375500000000, -0.0062238200000000 ] - [ -0.0071721800000000, 0.0130599900000000, -0.0061781900000000 ] - [ -0.0071130300000000, 0.0129931700000000, -0.0061605000000000 ] - [ -0.0073850200000000, 0.0130377700000000, -0.0062314400000000 ] - [ -0.0069718400000000, 0.0128888200000000, -0.0060745300000000 ] - [ -0.0046236400000000, 0.0098285400000000, -0.0117361200000000 ] - [ -0.0060959100000000, 0.0141302400000000, -0.0057479500000000 ] - [ -0.0073715300000000, 0.0130536600000000, -0.0061642100000000 ] - [ -0.0071207700000000, 0.0130062900000000, -0.0061712200000000 ] - [ -0.0073017800000000, 0.0134219300000000, -0.0064015400000000 ] - [ -0.0067932300000000, 0.0128913000000000, -0.0057826600000000 ] - [ 0.0062460600000000, 0.0109647100000000, 0.0014836400000000 ] - [ 0.0079002200000000, 0.0135524500000000, 0.0065355200000000 ] - [ 0.0066153100000000, 0.0133667300000000, 0.0057570900000000 ] - [ 0.0073476800000000, 0.0129455300000000, 0.0061935700000000 ] - [ 0.0070607900000000, 0.0130044100000000, 0.0061731700000000 ] - [ 0.0072820500000000, 0.0130264900000000, 0.0062281300000000 ] - [ 0.0062706200000000, 0.0152682700000000, 0.0025626500000000 ] - [ 0.0079014900000000, 0.0129132000000000, 0.0066459200000000 ] - [ 0.0066168400000000, 0.0129097500000000, 0.0061145100000000 ] - [ 0.0073472200000000, 0.0130342100000000, 0.0061947600000000 ] - [ 0.0070607400000000, 0.0130119000000000, 0.0061231300000000 ] - [ 0.0072822100000000, 0.0129995200000000, 0.0062231800000000 ] - [ -0.0178888000000000, -0.0053775700000000, -0.0154394500000000 ] - [ -0.0181653400000000, -0.0041936400000000, -0.0186407800000000 ] - [ -0.0172777100000000, -0.0043584900000000, -0.0172829400000000 ] - [ -0.0174525500000000, -0.0041080700000000, -0.0173540800000000 ] - [ -0.0172626700000000, -0.0042093600000000, -0.0171520900000000 ] - [ -0.0175220500000000, -0.0042636700000000, -0.0174745600000000 ] - [ -0.0044860700000000, -0.0115714700000000, -0.0348425700000000 ] - [ -0.0187727500000000, -0.0042087600000000, -0.0176110100000000 ] - [ -0.0171685900000000, -0.0046421500000000, -0.0172727500000000 ] - [ -0.0175378000000000, -0.0040967600000000, -0.0174501100000000 ] - [ -0.0172057900000000, -0.0041907700000000, -0.0173862800000000 ] - [ -0.0177690800000000, -0.0040976500000000, -0.0175532900000000 ] - [ 0.0184408800000000, -0.0045805100000000, 0.0166689900000000 ] - [ 0.0166144200000000, -0.0044214400000000, 0.0175823500000000 ] - [ 0.0181365900000000, -0.0030334400000000, 0.0172385200000000 ] - [ 0.0170291700000000, -0.0045827100000000, 0.0174091900000000 ] - [ 0.0174764200000000, -0.0043081600000000, 0.0173812100000000 ] - [ 0.0173509300000000, -0.0042201200000000, 0.0173671800000000 ] - [ 0.0169494600000000, -0.0053763400000000, 0.0179391900000000 ] - [ 0.0173767200000000, -0.0042855500000000, 0.0167763300000000 ] - [ 0.0172855800000000, -0.0036020200000000, 0.0179376000000000 ] - [ 0.0174638000000000, -0.0045114100000000, 0.0171690200000000 ] - [ 0.0174433700000000, -0.0042440600000000, 0.0174369500000000 ] - [ 0.0174063100000000, -0.0041009700000000, 0.0172924500000000 ] - [ 0.0693284900000000, -0.0103833700000000, 0.0171207800000000 ] - [ 0.0181039400000000, 0.0051351500000000, 0.0173083600000000 ] - [ 0.0175558000000000, 0.0042114200000000, 0.0171729500000000 ] - [ 0.0174107600000000, 0.0040042000000000, 0.0173519200000000 ] - [ 0.0180167300000000, 0.0037458900000000, 0.0172149700000000 ] - [ 0.0169841000000000, 0.0051045800000000, 0.0172677900000000 ] - [ 0.0179899400000000, 0.0044334700000000, 0.0177619700000000 ] - [ 0.0172295900000000, 0.0042686400000000, 0.0171243900000000 ] - [ 0.0174799400000000, 0.0042720300000000, 0.0174242700000000 ] - [ 0.0173195900000000, 0.0042797000000000, 0.0172447200000000 ] - [ 0.0175575900000000, 0.0041018300000000, 0.0174604400000000 ] - [ 0.0174503900000000, 0.0043637800000000, 0.0171853600000000 ] - [ -0.0177688900000000, 0.0026256700000000, -0.0160935300000000 ] - [ -0.0181493700000000, 0.0042406400000000, -0.0173025100000000 ] - [ -0.0174158300000000, 0.0039578600000000, -0.0172631100000000 ] - [ -0.0175683400000000, 0.0041297400000000, -0.0173533200000000 ] - [ -0.0028376600000000, -0.0091502000000000, -0.0218209300000000 ] - [ -0.0185557100000000, 0.0035801300000000, -0.0172703500000000 ] - [ -0.0171899400000000, 0.0041539100000000, -0.0172223500000000 ] - [ -0.0175375400000000, 0.0042912600000000, -0.0175753800000000 ] - [ -0.0173803100000000, 0.0042655700000000, -0.0173612800000000 ] - [ -0.0174972700000000, 0.0041940900000000, -0.0174347800000000 ] - [ -0.0173177700000000, 0.0041347500000000, -0.0166796500000000 ] - [ -0.0175288000000000, 0.0042792800000000, -0.0179604200000000 ]- atom: 49 displacement: [ -0.0099999805866700, 0.0000000000000000, 0.0000197044721447 ] forces: - [ 0.0086809500000000, -0.0115134000000000, -0.0004514400000000 ] - [ 0.0088884800000000, -0.0108252300000000, -0.0014113900000000 ] - [ 0.0090656600000000, -0.0112865300000000, -0.0010653300000000 ] - [ 0.0089694600000000, -0.0113027900000000, -0.0010814100000000 ] - [ 0.0088018400000000, -0.0108163100000000, -0.0007100100000000 ] - [ 0.0089187800000000, -0.0114310400000000, -0.0012301300000000 ] - [ 0.0103653000000000, -0.0125520900000000, -0.0018115600000000 ] - [ 0.0084221900000000, -0.0112377100000000, -0.0011106000000000 ] - [ 0.0090002500000000, -0.0113435200000000, -0.0009771400000000 ] - [ 0.0089411100000000, -0.0112481800000000, -0.0010511300000000 ] - [ 0.0105849700000000, -0.0100645800000000, -0.0018103900000000 ] - [ 0.0085768000000000, -0.0113681400000000, -0.0011768400000000 ] - [ -0.0131610200000000, -0.0122695100000000, -0.0103408700000000 ] - [ -0.0101115900000000, -0.0112667800000000, 0.0015681800000000 ] - [ -0.0089381000000000, -0.0110515800000000, 0.0009955300000000 ] - [ -0.0090186400000000, -0.0113665900000000, 0.0010437300000000 ] - [ -0.0091216400000000, -0.0113031800000000, 0.0010563900000000 ] - [ -0.0089514300000000, -0.0112851600000000, 0.0011910800000000 ] - [ -0.0097841000000000, -0.0114708000000000, 0.0011973700000000 ] - [ -0.0094493300000000, -0.0110299600000000, -0.0022151300000000 ] - [ -0.0090376900000000, -0.0111397900000000, 0.0011161300000000 ] - [ -0.0090159000000000, -0.0113412800000000, 0.0009745300000000 ] - [ -0.0090347000000000, -0.0113205400000000, 0.0010287900000000 ] - [ -0.0088209100000000, -0.0111939200000000, 0.0010054400000000 ] - [ -0.0152337100000000, 0.0057854100000000, 0.0023364700000000 ] - [ -0.0192759400000000, 0.0158779700000000, -0.0026541100000000 ] - [ -0.0093923900000000, 0.0115347100000000, 0.0011586800000000 ] - [ -0.0091322000000000, 0.0107326200000000, 0.0007155600000000 ] - [ -0.0089421700000000, 0.0112086700000000, 0.0010206600000000 ] - [ -0.0089429500000000, 0.0114443500000000, 0.0011353300000000 ] - [ -0.0090128100000000, 0.0111664600000000, 0.0008370500000000 ] - [ -0.0090950000000000, 0.0110416200000000, 0.0010552500000000 ] - [ -0.0090308500000000, 0.0114535700000000, 0.0010331600000000 ] - [ -0.0090694300000000, 0.0113200600000000, 0.0009932000000000 ] - [ -0.0090142800000000, 0.0112776800000000, 0.0010052300000000 ] - [ -0.0089838400000000, 0.0113162500000000, 0.0010413900000000 ] - [ -0.0153122400000000, -0.0111184700000000, 0.0137146800000000 ] - [ 0.0023511100000000, 0.0145336600000000, -0.0041483600000000 ] - [ 0.0089467400000000, 0.0113306400000000, -0.0010035400000000 ] - [ 0.0089294700000000, 0.0113158000000000, -0.0011517500000000 ] - [ 0.0091770900000000, 0.0144745200000000, -0.0002040800000000 ] - [ 0.0088583200000000, 0.0111666300000000, -0.0012011100000000 ] - [ 0.0086319100000000, 0.0125510100000000, 0.0013567800000000 ] - [ 0.0088458400000000, 0.0112163800000000, -0.0013023300000000 ] - [ 0.0090079100000000, 0.0113334300000000, -0.0010131200000000 ] - [ 0.0089371000000000, 0.0113188000000000, -0.0010370600000000 ] - [ 0.0091693800000000, 0.0113144900000000, -0.0010474700000000 ] - [ 0.0088405700000000, 0.0113180800000000, -0.0011182800000000 ] - [ 0.1420784100000000, -0.0424165700000000, -0.0244838200000000 ] - [ 0.0058766600000000, -0.0131729200000000, 0.0064777400000000 ] - [ 0.0069623200000000, -0.0133580800000000, 0.0065082700000000 ] - [ 0.0069936500000000, -0.0129082300000000, 0.0061098400000000 ] - [ 0.0069620900000000, -0.0130274200000000, 0.0065164700000000 ] - [ 0.0069955300000000, -0.0129939600000000, 0.0061623200000000 ] - [ 0.0074077000000000, -0.0132168700000000, 0.0068257200000000 ] - [ 0.0072491500000000, -0.0132471300000000, 0.0053272800000000 ] - [ 0.0072982000000000, -0.0130058800000000, 0.0062659200000000 ] - [ 0.0070724700000000, -0.0129495800000000, 0.0060737800000000 ] - [ 0.0072973500000000, -0.0130571300000000, 0.0061163400000000 ] - [ 0.0070724500000000, -0.0129938700000000, 0.0061093400000000 ] - [ -0.0058169400000000, -0.0060236300000000, -0.0071609800000000 ] - [ -0.0085639900000000, -0.0132344700000000, -0.0063218400000000 ] - [ -0.0071954500000000, -0.0130163800000000, -0.0061231200000000 ] - [ -0.0071881300000000, -0.0130564500000000, -0.0062080500000000 ] - [ -0.0058127200000000, -0.0155913400000000, -0.0071120600000000 ] - [ -0.0085403500000000, -0.0120976800000000, -0.0052432900000000 ] - [ -0.0068541400000000, -0.0129868800000000, -0.0057755300000000 ] - [ -0.0071844500000000, -0.0128528500000000, -0.0064848600000000 ] - [ -0.0071112900000000, -0.0129868000000000, -0.0061258500000000 ] - [ -0.0072696500000000, -0.0130359300000000, -0.0061978700000000 ] - [ -0.0068530800000000, -0.0129941200000000, -0.0059284500000000 ] - [ -0.0071852600000000, -0.0129496300000000, -0.0063873500000000 ] - [ -0.0048722500000000, 0.0134000700000000, -0.0050087700000000 ] - [ -0.0078273200000000, 0.0131941300000000, -0.0061002800000000 ] - [ -0.0071769800000000, 0.0129664600000000, -0.0061503600000000 ] - [ -0.0072370000000000, 0.0130343600000000, -0.0061693500000000 ] - [ -0.0069650700000000, 0.0129903100000000, -0.0060985900000000 ] - [ -0.0073768500000000, 0.0131379400000000, -0.0062568700000000 ] - [ -0.0097223200000000, 0.0162107300000000, -0.0005346300000000 ] - [ -0.0082454500000000, 0.0119098700000000, -0.0065670400000000 ] - [ -0.0069762800000000, 0.0129725300000000, -0.0061646700000000 ] - [ -0.0072288100000000, 0.0130210600000000, -0.0061587000000000 ] - [ -0.0070449300000000, 0.0126022800000000, -0.0059233700000000 ] - [ -0.0075584700000000, 0.0131360800000000, -0.0065416000000000 ] - [ 0.0080851000000000, 0.0150605800000000, 0.0108359500000000 ] - [ 0.0064478500000000, 0.0124726800000000, 0.0057842900000000 ] - [ 0.0077376800000000, 0.0126598300000000, 0.0065746700000000 ] - [ 0.0070008100000000, 0.0130817200000000, 0.0061364700000000 ] - [ 0.0072885500000000, 0.0130234600000000, 0.0061566000000000 ] - [ 0.0070667900000000, 0.0129999500000000, 0.0061004200000000 ] - [ 0.0081051400000000, 0.0107737700000000, 0.0097616800000000 ] - [ 0.0064484900000000, 0.0131149500000000, 0.0056876500000000 ] - [ 0.0077374300000000, 0.0131200400000000, 0.0062133200000000 ] - [ 0.0070005200000000, 0.0129919200000000, 0.0061344400000000 ] - [ 0.0072888000000000, 0.0130161200000000, 0.0062073700000000 ] - [ 0.0070670100000000, 0.0130279800000000, 0.0061067100000000 ] - [ -0.0169619300000000, -0.0030642400000000, -0.0193086200000000 ] - [ -0.0167031300000000, -0.0042622400000000, -0.0160665000000000 ] - [ -0.0175945500000000, -0.0040924600000000, -0.0174321700000000 ] - [ -0.0174187400000000, -0.0043435900000000, -0.0173601600000000 ] - [ -0.0176079900000000, -0.0042445800000000, -0.0175621500000000 ] - [ -0.0173504800000000, -0.0041888900000000, -0.0172385700000000 ] - [ -0.0302778900000000, 0.0032036700000000, 0.0002437800000000 ] - [ -0.0160920700000000, -0.0042451900000000, -0.0171045000000000 ] - [ -0.0177041600000000, -0.0038096000000000, -0.0174427400000000 ] - [ -0.0173338300000000, -0.0043562200000000, -0.0172629700000000 ] - [ -0.0176640800000000, -0.0042643800000000, -0.0173250100000000 ] - [ -0.0170984000000000, -0.0043568600000000, -0.0171603000000000 ] - [ 0.0164287400000000, -0.0038697800000000, 0.0180460800000000 ] - [ 0.0182530800000000, -0.0040313500000000, 0.0171411700000000 ] - [ 0.0167310600000000, -0.0054289500000000, 0.0174744800000000 ] - [ 0.0178392700000000, -0.0038711300000000, 0.0173021300000000 ] - [ 0.0173958500000000, -0.0041444100000000, 0.0173330700000000 ] - [ 0.0175200600000000, -0.0042320000000000, 0.0173470000000000 ] - [ 0.0179203000000000, -0.0030722100000000, 0.0167692100000000 ] - [ 0.0175136700000000, -0.0041754300000000, 0.0179469100000000 ] - [ 0.0175873200000000, -0.0048496300000000, 0.0167755700000000 ] - [ 0.0174117900000000, -0.0039379900000000, 0.0175496100000000 ] - [ 0.0174273400000000, -0.0042090400000000, 0.0172765800000000 ] - [ 0.0174636800000000, -0.0043498700000000, 0.0174203400000000 ] - [ -0.0372188900000000, 0.0199629000000000, 0.0174149400000000 ] - [ 0.0168435400000000, 0.0033344600000000, 0.0174189200000000 ] - [ 0.0173149100000000, 0.0042439000000000, 0.0175433200000000 ] - [ 0.0174613300000000, 0.0044496300000000, 0.0173619500000000 ] - [ 0.0168493300000000, 0.0047119900000000, 0.0175003600000000 ] - [ 0.0178870700000000, 0.0033550000000000, 0.0174458700000000 ] - [ 0.0168795600000000, 0.0040215300000000, 0.0169487100000000 ] - [ 0.0176412400000000, 0.0041837900000000, 0.0175932400000000 ] - [ 0.0173905900000000, 0.0041812900000000, 0.0172892900000000 ] - [ 0.0175530500000000, 0.0041735300000000, 0.0174687000000000 ] - [ 0.0173130300000000, 0.0043507800000000, 0.0172515100000000 ] - [ 0.0174212000000000, 0.0040887600000000, 0.0175289900000000 ] - [ -0.0170962400000000, 0.0058512100000000, -0.0186193400000000 ] - [ -0.0167171700000000, 0.0042118400000000, -0.0174118700000000 ] - [ -0.0174554100000000, 0.0044947300000000, -0.0174502900000000 ] - [ -0.0173020900000000, 0.0043243000000000, -0.0173605400000000 ] - [ -0.0320990200000000, 0.0173482200000000, -0.0130144100000000 ] - [ -0.0163308100000000, 0.0048815000000000, -0.0174423100000000 ] - [ -0.0176830600000000, 0.0042993700000000, -0.0174975500000000 ] - [ -0.0173333400000000, 0.0041618500000000, -0.0171376200000000 ] - [ -0.0174912800000000, 0.0041872300000000, -0.0173521700000000 ] - [ -0.0173732400000000, 0.0042598400000000, -0.0172784700000000 ] - [ -0.0175569800000000, 0.0043160900000000, -0.0180309300000000 ] - [ -0.0173436100000000, 0.0041718800000000, -0.0167538600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0093080800000000, -0.0112062800000000, -0.0014612600000000 ] - [ 0.0087670400000000, -0.0111897900000000, -0.0012273300000000 ] - [ 0.0089574100000000, -0.0111050300000000, -0.0009954100000000 ] - [ 0.0089456200000000, -0.0111036900000000, -0.0010108300000000 ] - [ 0.0087373400000000, -0.0110485700000000, -0.0011084000000000 ] - [ 0.0094351200000000, -0.0110761000000000, -0.0005547900000000 ] - [ 0.0096215400000000, -0.0054177700000000, 0.0014239200000000 ] - [ 0.0088180600000000, -0.0112900600000000, -0.0010380700000000 ] - [ 0.0089091600000000, -0.0110249400000000, -0.0010065900000000 ] - [ 0.0089724000000000, -0.0110713900000000, -0.0010300200000000 ] - [ 0.0080464400000000, -0.0046992500000000, -0.0083417700000000 ] - [ 0.0089643200000000, -0.0115242600000000, -0.0012281200000000 ] - [ -0.0101157400000000, -0.0152453500000000, -0.0004562600000000 ] - [ -0.0086688100000000, -0.0120438200000000, 0.0006610600000000 ] - [ -0.0090418800000000, -0.0109545600000000, 0.0009263300000000 ] - [ -0.0089238300000000, -0.0111173700000000, 0.0010463600000000 ] - [ -0.0090277900000000, -0.0110131000000000, 0.0013654700000000 ] - [ -0.0090929400000000, -0.0111206300000000, 0.0010846100000000 ] - [ -0.0093052300000000, -0.0118394100000000, 0.0011228500000000 ] - [ -0.0088107300000000, -0.0134780600000000, 0.0022083900000000 ] - [ -0.0090203100000000, -0.0110243000000000, 0.0010430500000000 ] - [ -0.0089298100000000, -0.0109586100000000, 0.0011428800000000 ] - [ -0.0089821700000000, -0.0112533500000000, 0.0010338200000000 ] - [ -0.0092112900000000, -0.0110684800000000, 0.0008617300000000 ] - [ -0.0070295000000000, 0.0094791900000000, 0.0001083600000000 ] - [ -0.0189630000000000, 0.0102110700000000, -0.0012713500000000 ] - [ -0.0095748000000000, 0.0118617000000000, 0.0011550700000000 ] - [ -0.0087804100000000, 0.0117991900000000, 0.0008849400000000 ] - [ -0.0089429100000000, 0.0114971500000000, 0.0011260800000000 ] - [ -0.0091390900000000, 0.0115385200000000, 0.0010140100000000 ] - [ -0.0091248400000000, 0.0107376400000000, 0.0017375600000000 ] - [ -0.0090572600000000, 0.0108253900000000, 0.0009657900000000 ] - [ -0.0090310800000000, 0.0115554800000000, 0.0010047900000000 ] - [ -0.0089218100000000, 0.0115070100000000, 0.0011379800000000 ] - [ -0.0089999800000000, 0.0114266700000000, 0.0010873700000000 ] - [ -0.0090306300000000, 0.0114091200000000, 0.0010518500000000 ] - [ 0.0322584100000000, 0.0373970300000000, -0.0157373100000000 ] - [ 0.0060803800000000, 0.0119857600000000, -0.0025325600000000 ] - [ 0.0090125200000000, 0.0115571000000000, -0.0010533800000000 ] - [ 0.0090088800000000, 0.0115562000000000, -0.0010978100000000 ] - [ 0.0048874200000000, 0.0182729300000000, 0.0009836200000000 ] - [ 0.0091674200000000, 0.0113855400000000, -0.0009474300000000 ] - [ 0.0081337600000000, 0.0114406700000000, 0.0024065200000000 ] - [ 0.0089315900000000, 0.0112015700000000, -0.0009116100000000 ] - [ 0.0090551800000000, 0.0116185200000000, -0.0010932600000000 ] - [ 0.0090232600000000, 0.0114997800000000, -0.0010764900000000 ] - [ 0.0089440500000000, 0.0113399700000000, -0.0011984600000000 ] - [ 0.0089603100000000, 0.0114312900000000, -0.0010203700000000 ] - [ 0.0351699200000000, -0.1484979000000000, -0.0155492500000000 ] - [ 0.0073332100000000, -0.0134440400000000, 0.0060004600000000 ] - [ 0.0071855100000000, -0.0124946700000000, 0.0060410500000000 ] - [ 0.0071536900000000, -0.0128081900000000, 0.0061227100000000 ] - [ 0.0075187700000000, -0.0125010800000000, 0.0059649800000000 ] - [ 0.0070687000000000, -0.0128092000000000, 0.0061327000000000 ] - [ 0.0073747500000000, -0.0127012100000000, 0.0063773100000000 ] - [ 0.0074071800000000, -0.0136023700000000, 0.0061212200000000 ] - [ 0.0072187500000000, -0.0128315400000000, 0.0062134900000000 ] - [ 0.0071553900000000, -0.0128758400000000, 0.0062355800000000 ] - [ 0.0071664500000000, -0.0128320900000000, 0.0062984100000000 ] - [ 0.0071105200000000, -0.0128759600000000, 0.0062174400000000 ] - [ -0.0097874700000000, -0.0066341200000000, -0.0079197500000000 ] - [ -0.0062565000000000, -0.0125386900000000, -0.0063132200000000 ] - [ -0.0071769100000000, -0.0127690300000000, -0.0061133100000000 ] - [ -0.0072167500000000, -0.0128197400000000, -0.0061279200000000 ] - [ -0.0002519400000000, -0.0067273500000000, -0.0034575100000000 ] - [ -0.0073945500000000, -0.0125410000000000, -0.0057293300000000 ] - [ -0.0071540700000000, -0.0131554100000000, -0.0059853500000000 ] - [ -0.0071103300000000, -0.0129772700000000, -0.0057914000000000 ] - [ -0.0071477500000000, -0.0128097700000000, -0.0061997900000000 ] - [ -0.0071970900000000, -0.0128195800000000, -0.0061681700000000 ] - [ -0.0071474500000000, -0.0131547800000000, -0.0060139300000000 ] - [ -0.0070157100000000, -0.0129772600000000, -0.0065038300000000 ] - [ -0.0075683500000000, 0.0130477400000000, -0.0073366700000000 ] - [ -0.0073538900000000, 0.0129537800000000, -0.0060666200000000 ] - [ -0.0071276800000000, 0.0132021700000000, -0.0061395400000000 ] - [ -0.0071957100000000, 0.0132125200000000, -0.0061446900000000 ] - [ -0.0071493900000000, 0.0138349400000000, -0.0057569800000000 ] - [ -0.0072994600000000, 0.0130819100000000, -0.0061496100000000 ] - [ -0.0103551300000000, 0.0141336300000000, -0.0034923200000000 ] - [ -0.0060626800000000, 0.0130649000000000, -0.0054050200000000 ] - [ -0.0071340300000000, 0.0132916200000000, -0.0061963600000000 ] - [ -0.0071822400000000, 0.0132297500000000, -0.0062356600000000 ] - [ -0.0067676100000000, 0.0130885700000000, -0.0063988900000000 ] - [ -0.0072976900000000, 0.0133192700000000, -0.0063091800000000 ] - [ 0.0049475900000000, 0.0112867600000000, 0.0132355600000000 ] - [ 0.0072758400000000, 0.0124455600000000, 0.0062192100000000 ] - [ 0.0072812800000000, 0.0135614200000000, 0.0060886500000000 ] - [ 0.0071528000000000, 0.0132554500000000, 0.0060263200000000 ] - [ 0.0071774200000000, 0.0132130500000000, 0.0063265100000000 ] - [ 0.0071882300000000, 0.0131244100000000, 0.0061778000000000 ] - [ 0.0092193500000000, 0.0112831100000000, 0.0040084800000000 ] - [ 0.0066344300000000, 0.0124452900000000, 0.0061005800000000 ] - [ 0.0068183500000000, 0.0135643700000000, 0.0066811700000000 ] - [ 0.0072423200000000, 0.0132548100000000, 0.0062050300000000 ] - [ 0.0071831800000000, 0.0132116700000000, 0.0060271500000000 ] - [ 0.0071608600000000, 0.0131253300000000, 0.0060983600000000 ] - [ -0.0185398900000000, -0.0046927700000000, -0.0160678800000000 ] - [ -0.0167981500000000, -0.0037612200000000, -0.0170990400000000 ] - [ -0.0174656800000000, -0.0046201700000000, -0.0173537600000000 ] - [ -0.0174367700000000, -0.0045475600000000, -0.0173888800000000 ] - [ -0.0172519100000000, -0.0045522200000000, -0.0176460000000000 ] - [ -0.0177135000000000, -0.0043076300000000, -0.0174281700000000 ] - [ -0.0229107200000000, 0.0118969500000000, 0.0002920600000000 ] - [ -0.0178280200000000, -0.0035314100000000, -0.0175988300000000 ] - [ -0.0174086600000000, -0.0049205300000000, -0.0173908500000000 ] - [ -0.0174560100000000, -0.0045694300000000, -0.0173108400000000 ] - [ -0.0176780600000000, -0.0044347900000000, -0.0163896300000000 ] - [ -0.0173160400000000, -0.0042186600000000, -0.0171236100000000 ] - [ 0.0166361400000000, -0.0031865400000000, 0.0168414800000000 ] - [ 0.0177438800000000, -0.0040767600000000, 0.0172709500000000 ] - [ 0.0174448300000000, -0.0050485100000000, 0.0178781200000000 ] - [ 0.0175619100000000, -0.0041506400000000, 0.0174225600000000 ] - [ 0.0173914300000000, -0.0045454100000000, 0.0172861700000000 ] - [ 0.0174441100000000, -0.0044222200000000, 0.0173667900000000 ] - [ 0.0171399700000000, -0.0031946400000000, 0.0177060200000000 ] - [ 0.0181931100000000, -0.0036464800000000, 0.0182688300000000 ] - [ 0.0179494700000000, -0.0048556800000000, 0.0168701300000000 ] - [ 0.0172093600000000, -0.0050212300000000, 0.0169722400000000 ] - [ 0.0173477800000000, -0.0047309300000000, 0.0174458800000000 ] - [ 0.0174959400000000, -0.0045999800000000, 0.0174330600000000 ] - [ 0.0014867100000000, 0.0187600300000000, 0.0177675200000000 ] - [ 0.0152465000000000, 0.0039648200000000, 0.0177609400000000 ] - [ 0.0174521400000000, 0.0035907600000000, 0.0173875000000000 ] - [ 0.0174597100000000, 0.0038331000000000, 0.0173618900000000 ] - [ 0.0166404000000000, 0.0039748300000000, 0.0173545600000000 ] - [ 0.0177177800000000, 0.0038016200000000, 0.0173726300000000 ] - [ 0.0173018500000000, 0.0047900800000000, 0.0173682300000000 ] - [ 0.0175264500000000, 0.0046310200000000, 0.0169193900000000 ] - [ 0.0174254200000000, 0.0038503500000000, 0.0173690400000000 ] - [ 0.0174295800000000, 0.0038945600000000, 0.0173760200000000 ] - [ 0.0173382600000000, 0.0040789100000000, 0.0172040700000000 ] - [ 0.0173404700000000, 0.0042350000000000, 0.0173428000000000 ] - [ -0.0173268000000000, 0.0055993800000000, -0.0172657700000000 ] - [ -0.0172075500000000, 0.0040001200000000, -0.0171273000000000 ] - [ -0.0175746600000000, 0.0034354200000000, -0.0173112100000000 ] - [ -0.0174520200000000, 0.0038770400000000, -0.0173762100000000 ] - [ -0.0277501800000000, 0.0543141500000000, -0.0063783000000000 ] - [ -0.0177207600000000, 0.0048402400000000, -0.0175677600000000 ] - [ -0.0172915200000000, 0.0042047800000000, -0.0177984200000000 ] - [ -0.0175023100000000, 0.0042271600000000, -0.0174762400000000 ] - [ -0.0174924700000000, 0.0038616000000000, -0.0173187100000000 ] - [ -0.0174087800000000, 0.0040075100000000, -0.0172997900000000 ] - [ -0.0179662900000000, 0.0047904100000000, -0.0171034000000000 ] - [ -0.0174403800000000, 0.0044813300000000, -0.0174197000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0086844400000000, -0.0113791300000000, -0.0006355500000000 ] - [ 0.0092239000000000, -0.0113952700000000, -0.0008771400000000 ] - [ 0.0090365000000000, -0.0114803400000000, -0.0011073900000000 ] - [ 0.0090462800000000, -0.0114820300000000, -0.0010927800000000 ] - [ 0.0092582100000000, -0.0115417900000000, -0.0009936200000000 ] - [ 0.0085532800000000, -0.0115098600000000, -0.0015550700000000 ] - [ 0.0083808300000000, -0.0170951700000000, -0.0034769500000000 ] - [ 0.0091763000000000, -0.0112973500000000, -0.0010647500000000 ] - [ 0.0090858200000000, -0.0115598000000000, -0.0010982800000000 ] - [ 0.0090190500000000, -0.0115139200000000, -0.0010735700000000 ] - [ 0.0099742500000000, -0.0179886500000000, 0.0063477900000000 ] - [ 0.0090266400000000, -0.0110604300000000, -0.0008732400000000 ] - [ -0.0078393600000000, -0.0073426600000000, 0.0026131600000000 ] - [ -0.0093266700000000, -0.0105368700000000, 0.0014447700000000 ] - [ -0.0089514000000000, -0.0116297900000000, 0.0011760400000000 ] - [ -0.0090680200000000, -0.0114674900000000, 0.0010578500000000 ] - [ -0.0089623200000000, -0.0115744700000000, 0.0007337300000000 ] - [ -0.0089003600000000, -0.0114629300000000, 0.0010198900000000 ] - [ -0.0086827900000000, -0.0107373700000000, 0.0009773400000000 ] - [ -0.0091897700000000, -0.0091180500000000, -0.0001440600000000 ] - [ -0.0089714800000000, -0.0115609800000000, 0.0010588700000000 ] - [ -0.0090618100000000, -0.0116249800000000, 0.0009609200000000 ] - [ -0.0090102300000000, -0.0113309200000000, 0.0010685400000000 ] - [ -0.0087767000000000, -0.0115175400000000, 0.0012414600000000 ] - [ -0.0109607600000000, 0.0131258900000000, 0.0020017200000000 ] - [ 0.0010240800000000, 0.0124336200000000, 0.0033975500000000 ] - [ -0.0084259800000000, 0.0107270100000000, 0.0009548800000000 ] - [ -0.0092101600000000, 0.0107852000000000, 0.0012145700000000 ] - [ -0.0090514900000000, 0.0110856800000000, 0.0009770100000000 ] - [ -0.0088525300000000, 0.0110465300000000, 0.0010887600000000 ] - [ -0.0088663200000000, 0.0118526800000000, 0.0003589800000000 ] - [ -0.0089336900000000, 0.0117615300000000, 0.0011371300000000 ] - [ -0.0089633000000000, 0.0110289900000000, 0.0010996300000000 ] - [ -0.0090696100000000, 0.0110785500000000, 0.0009661400000000 ] - [ -0.0089924800000000, 0.0111575900000000, 0.0010150800000000 ] - [ -0.0089613400000000, 0.0111740200000000, 0.0010520400000000 ] - [ -0.0137207700000000, -0.0144784100000000, 0.0132745400000000 ] - [ 0.0119302200000000, 0.0105985300000000, 0.0004319200000000 ] - [ 0.0089791000000000, 0.0110263500000000, -0.0010481100000000 ] - [ 0.0089815400000000, 0.0110267500000000, -0.0010066200000000 ] - [ 0.0131678900000000, 0.0042118600000000, -0.0031060200000000 ] - [ 0.0088217200000000, 0.0111965300000000, -0.0011563600000000 ] - [ 0.0098609400000000, 0.0111401900000000, -0.0045284800000000 ] - [ 0.0090602000000000, 0.0113817400000000, -0.0011912100000000 ] - [ 0.0089373100000000, 0.0109650300000000, -0.0010073800000000 ] - [ 0.0089681800000000, 0.0110839500000000, -0.0010267900000000 ] - [ 0.0090487600000000, 0.0112432100000000, -0.0009030300000000 ] - [ 0.0090321400000000, 0.0111514600000000, -0.0010834500000000 ] - [ -0.0220325100000000, 0.1247190500000000, 0.0288007100000000 ] - [ 0.0070093800000000, -0.0125809200000000, 0.0063345000000000 ] - [ 0.0071599000000000, -0.0135309500000000, 0.0062896300000000 ] - [ 0.0071935000000000, -0.0132176300000000, 0.0062063400000000 ] - [ 0.0068339100000000, -0.0135371100000000, 0.0063625300000000 ] - [ 0.0072785900000000, -0.0132187000000000, 0.0061974600000000 ] - [ 0.0069705800000000, -0.0133262200000000, 0.0059561800000000 ] - [ 0.0069400500000000, -0.0124222500000000, 0.0062088400000000 ] - [ 0.0071320800000000, -0.0131961900000000, 0.0061167500000000 ] - [ 0.0071932100000000, -0.0131509400000000, 0.0060943000000000 ] - [ 0.0071825900000000, -0.0131968700000000, 0.0060313900000000 ] - [ 0.0072388800000000, -0.0131514500000000, 0.0061108400000000 ] - [ -0.0046170900000000, -0.0193179200000000, -0.0044351200000000 ] - [ -0.0081104400000000, -0.0134927800000000, -0.0060189400000000 ] - [ -0.0071701900000000, -0.0132585200000000, -0.0062167400000000 ] - [ -0.0071322200000000, -0.0132092500000000, -0.0062030800000000 ] - [ -0.0141887400000000, -0.0194113800000000, -0.0089208400000000 ] - [ -0.0069587900000000, -0.0134953200000000, -0.0066028200000000 ] - [ -0.0071933700000000, -0.0128727700000000, -0.0063458800000000 ] - [ -0.0072383400000000, -0.0130504600000000, -0.0065371600000000 ] - [ -0.0072004700000000, -0.0132175300000000, -0.0061298400000000 ] - [ -0.0071529500000000, -0.0132097800000000, -0.0061614800000000 ] - [ -0.0072024600000000, -0.0128725700000000, -0.0063159600000000 ] - [ -0.0073350000000000, -0.0130505700000000, -0.0058252500000000 ] - [ -0.0067861700000000, 0.0129749500000000, -0.0049948200000000 ] - [ -0.0069975300000000, 0.0130757900000000, -0.0062618100000000 ] - [ -0.0072211000000000, 0.0128236000000000, -0.0061891100000000 ] - [ -0.0071544400000000, 0.0128149700000000, -0.0061847800000000 ] - [ -0.0071977900000000, 0.0121810900000000, -0.0065727500000000 ] - [ -0.0070506400000000, 0.0129450600000000, -0.0061797100000000 ] - [ -0.0039834600000000, 0.0118792300000000, -0.0088414900000000 ] - [ -0.0082861900000000, 0.0129575500000000, -0.0069170300000000 ] - [ -0.0072148500000000, 0.0127340000000000, -0.0061325900000000 ] - [ -0.0071672400000000, 0.0127967200000000, -0.0060949500000000 ] - [ -0.0075857900000000, 0.0129366000000000, -0.0059267800000000 ] - [ -0.0070527700000000, 0.0127025100000000, -0.0060242000000000 ] - [ 0.0094146700000000, 0.0147806800000000, -0.0009520600000000 ] - [ 0.0070736700000000, 0.0135855800000000, 0.0061099500000000 ] - [ 0.0070712600000000, 0.0124650200000000, 0.0062457600000000 ] - [ 0.0071954000000000, 0.0127728100000000, 0.0063021000000000 ] - [ 0.0071725400000000, 0.0128155500000000, 0.0060048000000000 ] - [ 0.0071595800000000, 0.0129013300000000, 0.0061514100000000 ] - [ 0.0051324000000000, 0.0147772200000000, 0.0083083400000000 ] - [ 0.0077142400000000, 0.0135852100000000, 0.0062257800000000 ] - [ 0.0075233500000000, 0.0124679700000000, 0.0056537800000000 ] - [ 0.0071057100000000, 0.0127720300000000, 0.0061237400000000 ] - [ 0.0071653600000000, 0.0128140500000000, 0.0063056700000000 ] - [ 0.0071876100000000, 0.0129019900000000, 0.0062309800000000 ] - [ -0.0163284900000000, -0.0037617400000000, -0.0186646500000000 ] - [ -0.0180771400000000, -0.0046931800000000, -0.0176181200000000 ] - [ -0.0174063400000000, -0.0038321100000000, -0.0173623300000000 ] - [ -0.0174344000000000, -0.0039046400000000, -0.0173250600000000 ] - [ -0.0176198300000000, -0.0039097500000000, -0.0170730000000000 ] - [ -0.0171556200000000, -0.0041437000000000, -0.0172851900000000 ] - [ -0.0120212800000000, -0.0203549100000000, -0.0346491600000000 ] - [ -0.0170428500000000, -0.0049215400000000, -0.0171158600000000 ] - [ -0.0174652500000000, -0.0035304600000000, -0.0173242800000000 ] - [ -0.0174157100000000, -0.0038824100000000, -0.0174017900000000 ] - [ -0.0171914500000000, -0.0040170000000000, -0.0183387100000000 ] - [ -0.0175518100000000, -0.0042345200000000, -0.0175867100000000 ] - [ 0.0182406800000000, -0.0052681300000000, 0.0178774000000000 ] - [ 0.0171232100000000, -0.0043758300000000, 0.0174418600000000 ] - [ 0.0174269200000000, -0.0034135300000000, 0.0168367100000000 ] - [ 0.0173080300000000, -0.0043020500000000, 0.0172886100000000 ] - [ 0.0174794700000000, -0.0039070600000000, 0.0174292200000000 ] - [ 0.0174277800000000, -0.0040288700000000, 0.0173460100000000 ] - [ 0.0177321900000000, -0.0052617700000000, 0.0170025800000000 ] - [ 0.0166813500000000, -0.0048159000000000, 0.0164414300000000 ] - [ 0.0169190600000000, -0.0035888800000000, 0.0178422600000000 ] - [ 0.0176634200000000, -0.0034362400000000, 0.0177441000000000 ] - [ 0.0175249000000000, -0.0037191400000000, 0.0172677700000000 ] - [ 0.0173736500000000, -0.0038522600000000, 0.0172805800000000 ] - [ 0.0330725100000000, -0.0103331000000000, 0.0168851300000000 ] - [ 0.0196444700000000, 0.0044794000000000, 0.0169563000000000 ] - [ 0.0174169800000000, 0.0048647900000000, 0.0173307400000000 ] - [ 0.0174130100000000, 0.0046214700000000, 0.0173528200000000 ] - [ 0.0182415400000000, 0.0044803400000000, 0.0173590800000000 ] - [ 0.0171565600000000, 0.0046370800000000, 0.0173424500000000 ] - [ 0.0175707900000000, 0.0036601700000000, 0.0173472700000000 ] - [ 0.0173395900000000, 0.0038242300000000, 0.0177958600000000 ] - [ 0.0174456600000000, 0.0046036300000000, 0.0173451600000000 ] - [ 0.0174431400000000, 0.0045586400000000, 0.0173374300000000 ] - [ 0.0175332300000000, 0.0043751100000000, 0.0175086300000000 ] - [ 0.0175318600000000, 0.0042186500000000, 0.0173729800000000 ] - [ -0.0175178400000000, 0.0029349500000000, -0.0174687800000000 ] - [ -0.0176523700000000, 0.0044509200000000, -0.0175839300000000 ] - [ -0.0172985000000000, 0.0050173800000000, -0.0174013600000000 ] - [ -0.0174174700000000, 0.0045784300000000, -0.0173378200000000 ] - [ -0.0061974400000000, -0.0483539300000000, -0.0291916500000000 ] - [ -0.0171443400000000, 0.0036120500000000, -0.0171475400000000 ] - [ -0.0175790600000000, 0.0042454300000000, -0.0169198400000000 ] - [ -0.0173693300000000, 0.0042257500000000, -0.0172383900000000 ] - [ -0.0173786900000000, 0.0045931100000000, -0.0173958500000000 ] - [ -0.0174616600000000, 0.0044468300000000, -0.0174130100000000 ] - [ -0.0169004900000000, 0.0036565200000000, -0.0176104100000000 ] - [ -0.0174287900000000, 0.0039686500000000, -0.0172859300000000 ]- atom: 49 displacement: [ -0.0042265356520470, 0.0000000000000000, 0.0090629132392391 ] forces: - [ 0.0087323200000000, -0.0113000900000000, -0.0003112200000000 ] - [ 0.0090751500000000, -0.0113589800000000, -0.0008527800000000 ] - [ 0.0090246300000000, -0.0112947800000000, -0.0010435900000000 ] - [ 0.0089896400000000, -0.0112892500000000, -0.0010133200000000 ] - [ 0.0085215000000000, -0.0109425200000000, -0.0004682200000000 ] - [ 0.0092906700000000, -0.0111358600000000, -0.0006886100000000 ] - [ 0.0107132000000000, -0.0057969300000000, -0.0017892300000000 ] - [ 0.0085311400000000, -0.0111552500000000, -0.0014005600000000 ] - [ 0.0089720000000000, -0.0113043800000000, -0.0010572800000000 ] - [ 0.0089961600000000, -0.0112637300000000, -0.0010813500000000 ] - [ 0.0107784900000000, -0.0135696700000000, -0.0016627400000000 ] - [ 0.0087767300000000, -0.0113339600000000, -0.0013000400000000 ] - [ -0.0059116800000000, -0.0103799100000000, 0.0044784700000000 ] - [ -0.0097166300000000, -0.0111887000000000, 0.0017589500000000 ] - [ -0.0089797300000000, -0.0112928300000000, 0.0011052200000000 ] - [ -0.0090029800000000, -0.0113780700000000, 0.0010861200000000 ] - [ -0.0090033500000000, -0.0111478700000000, 0.0009340200000000 ] - [ -0.0090791700000000, -0.0112550200000000, 0.0010028600000000 ] - [ -0.0095354200000000, -0.0115009600000000, 0.0016808200000000 ] - [ -0.0041958300000000, -0.0116659500000000, 0.0061982700000000 ] - [ -0.0090907700000000, -0.0111522000000000, 0.0009668400000000 ] - [ -0.0088947700000000, -0.0110924800000000, 0.0010164900000000 ] - [ -0.0089770500000000, -0.0113146600000000, 0.0011055400000000 ] - [ -0.0090037400000000, -0.0113001800000000, 0.0011516000000000 ] - [ -0.0117180300000000, 0.0088418300000000, 0.0001765300000000 ] - [ -0.0124777800000000, 0.0136921100000000, -0.0028148800000000 ] - [ -0.0090008300000000, 0.0115602800000000, 0.0008279400000000 ] - [ -0.0089289500000000, 0.0109829800000000, 0.0006332100000000 ] - [ -0.0089607300000000, 0.0112759700000000, 0.0009870300000000 ] - [ -0.0089978600000000, 0.0113462800000000, 0.0010212800000000 ] - [ -0.0089554500000000, 0.0113577100000000, 0.0016679300000000 ] - [ -0.0089820700000000, 0.0109440600000000, 0.0016618500000000 ] - [ -0.0090267300000000, 0.0113006200000000, 0.0011525000000000 ] - [ -0.0090486600000000, 0.0113466500000000, 0.0012060000000000 ] - [ -0.0090087600000000, 0.0113198400000000, 0.0011066900000000 ] - [ -0.0090014100000000, 0.0112779200000000, 0.0011163600000000 ] - [ -0.0153542800000000, -0.0117421000000000, 0.0165908200000000 ] - [ 0.0066484200000000, 0.0126287600000000, -0.0031572800000000 ] - [ 0.0089758700000000, 0.0113239500000000, -0.0010027500000000 ] - [ 0.0089672300000000, 0.0113276900000000, -0.0011057500000000 ] - [ 0.0079401300000000, 0.0151997600000000, -0.0017487800000000 ] - [ 0.0091289200000000, 0.0113071200000000, -0.0012298400000000 ] - [ 0.0068854000000000, 0.0149271000000000, 0.0063314400000000 ] - [ 0.0091566600000000, 0.0112549800000000, -0.0008968800000000 ] - [ 0.0089499400000000, 0.0113069900000000, -0.0009109100000000 ] - [ 0.0089484200000000, 0.0113222600000000, -0.0010168700000000 ] - [ 0.0090018000000000, 0.0110735100000000, -0.0008001800000000 ] - [ 0.0089368900000000, 0.0112957400000000, -0.0009136000000000 ] - [ 0.0916638200000000, -0.0459711600000000, -0.1125444100000000 ] - [ 0.0063406100000000, -0.0132308300000000, 0.0060899700000000 ] - [ 0.0067670400000000, -0.0133411100000000, 0.0062502600000000 ] - [ 0.0071008300000000, -0.0129984800000000, 0.0060862700000000 ] - [ 0.0067717400000000, -0.0131321700000000, 0.0062549000000000 ] - [ 0.0071481700000000, -0.0130432000000000, 0.0061085000000000 ] - [ 0.0066771900000000, -0.0129072800000000, 0.0068649100000000 ] - [ 0.0079682300000000, -0.0131507400000000, 0.0070093000000000 ] - [ 0.0072706800000000, -0.0128900500000000, 0.0063190000000000 ] - [ 0.0071819100000000, -0.0129383900000000, 0.0062526600000000 ] - [ 0.0071356000000000, -0.0129884600000000, 0.0062550700000000 ] - [ 0.0072138700000000, -0.0129412500000000, 0.0062676500000000 ] - [ -0.0057451600000000, -0.0125584600000000, -0.0078547900000000 ] - [ -0.0086147500000000, -0.0135050200000000, -0.0061726600000000 ] - [ -0.0072216600000000, -0.0130624000000000, -0.0061823300000000 ] - [ -0.0071420200000000, -0.0130662500000000, -0.0062590600000000 ] - [ -0.0057073700000000, -0.0125188500000000, -0.0078295300000000 ] - [ -0.0076162300000000, -0.0124883600000000, -0.0057108000000000 ] - [ -0.0072528200000000, -0.0131390600000000, -0.0057353300000000 ] - [ -0.0069759800000000, -0.0126362000000000, -0.0059046300000000 ] - [ -0.0071830400000000, -0.0129707200000000, -0.0060888600000000 ] - [ -0.0071847100000000, -0.0130204100000000, -0.0060939400000000 ] - [ -0.0073927000000000, -0.0131691500000000, -0.0058007900000000 ] - [ -0.0068907700000000, -0.0133249700000000, -0.0058636100000000 ] - [ -0.0072405600000000, 0.0121207700000000, -0.0041386800000000 ] - [ -0.0075048700000000, 0.0131777400000000, -0.0056485000000000 ] - [ -0.0071887300000000, 0.0130159200000000, -0.0061274500000000 ] - [ -0.0071964600000000, 0.0130402500000000, -0.0061028900000000 ] - [ -0.0071463300000000, 0.0133713300000000, -0.0057341100000000 ] - [ -0.0071772000000000, 0.0130795200000000, -0.0060386600000000 ] - [ -0.0133548400000000, 0.0167967000000000, -0.0040625500000000 ] - [ -0.0072615500000000, 0.0132292400000000, -0.0082564300000000 ] - [ -0.0070911800000000, 0.0129669500000000, -0.0062928400000000 ] - [ -0.0072031100000000, 0.0129528900000000, -0.0061951200000000 ] - [ -0.0073381500000000, 0.0126250900000000, -0.0063367600000000 ] - [ -0.0069920000000000, 0.0129358400000000, -0.0062287000000000 ] - [ 0.0043363700000000, 0.0158019400000000, 0.0140293800000000 ] - [ 0.0073003300000000, 0.0128420700000000, 0.0060136900000000 ] - [ 0.0073671100000000, 0.0123969400000000, 0.0066514000000000 ] - [ 0.0071291100000000, 0.0130056400000000, 0.0062080300000000 ] - [ 0.0071837300000000, 0.0131437800000000, 0.0061248000000000 ] - [ 0.0071819300000000, 0.0130677900000000, 0.0061665500000000 ] - [ 0.0033054200000000, 0.0055870200000000, 0.0136899300000000 ] - [ 0.0072083800000000, 0.0130077100000000, 0.0059679000000000 ] - [ 0.0070411000000000, 0.0131285200000000, 0.0064968600000000 ] - [ 0.0071264600000000, 0.0131295300000000, 0.0062073600000000 ] - [ 0.0072307500000000, 0.0128679400000000, 0.0061454600000000 ] - [ 0.0071870800000000, 0.0130075700000000, 0.0061686700000000 ] - [ -0.0175602300000000, -0.0045190000000000, -0.0173974300000000 ] - [ -0.0173665300000000, -0.0045815600000000, -0.0179988300000000 ] - [ -0.0174722400000000, -0.0040887700000000, -0.0173885500000000 ] - [ -0.0174679500000000, -0.0042236800000000, -0.0174904300000000 ] - [ -0.0174225800000000, -0.0050439300000000, -0.0177685000000000 ] - [ -0.0176308000000000, -0.0044505100000000, -0.0174541800000000 ] - [ -0.0329626800000000, 0.0140343600000000, 0.0368067500000000 ] - [ -0.0166511900000000, -0.0045616900000000, -0.0164486800000000 ] - [ -0.0174818100000000, -0.0041449200000000, -0.0174894800000000 ] - [ -0.0174027000000000, -0.0042855500000000, -0.0172359500000000 ] - [ -0.0176960900000000, -0.0034807900000000, -0.0170557800000000 ] - [ -0.0173718400000000, -0.0041536500000000, -0.0171720800000000 ] - [ 0.0170626100000000, -0.0032337900000000, 0.0182227300000000 ] - [ 0.0177313900000000, -0.0041590600000000, 0.0171279000000000 ] - [ 0.0173831900000000, -0.0042596500000000, 0.0174551200000000 ] - [ 0.0175386900000000, -0.0040027700000000, 0.0171332000000000 ] - [ 0.0173911000000000, -0.0042959200000000, 0.0173437300000000 ] - [ 0.0174537800000000, -0.0042207900000000, 0.0173497400000000 ] - [ 0.0185284600000000, -0.0027402300000000, 0.0169992700000000 ] - [ 0.0159472400000000, -0.0040510900000000, 0.0172550200000000 ] - [ 0.0184298700000000, -0.0049280600000000, 0.0175980400000000 ] - [ 0.0170930400000000, -0.0047955600000000, 0.0178249800000000 ] - [ 0.0175089300000000, -0.0042029700000000, 0.0172719700000000 ] - [ 0.0174556300000000, -0.0041609000000000, 0.0173650600000000 ] - [ -0.0071946100000000, 0.0109395300000000, 0.0213406000000000 ] - [ 0.0201388400000000, 0.0048944600000000, 0.0180227100000000 ] - [ 0.0172862500000000, 0.0045845400000000, 0.0177441200000000 ] - [ 0.0173909000000000, 0.0044763000000000, 0.0174782900000000 ] - [ 0.0170180500000000, 0.0041207400000000, 0.0174951700000000 ] - [ 0.0176423300000000, 0.0042163200000000, 0.0174726700000000 ] - [ 0.0177652700000000, 0.0040449600000000, 0.0164900000000000 ] - [ 0.0169867500000000, 0.0039800200000000, 0.0158581000000000 ] - [ 0.0173803200000000, 0.0040994000000000, 0.0172220000000000 ] - [ 0.0174882500000000, 0.0040830000000000, 0.0172881100000000 ] - [ 0.0175003700000000, 0.0041609900000000, 0.0169151400000000 ] - [ 0.0173892600000000, 0.0043161200000000, 0.0172424200000000 ] - [ -0.0161938300000000, 0.0059487400000000, -0.0178542800000000 ] - [ -0.0167793800000000, 0.0042337700000000, -0.0174190000000000 ] - [ -0.0174057900000000, 0.0044248600000000, -0.0173058800000000 ] - [ -0.0174412400000000, 0.0042253700000000, -0.0173287100000000 ] - [ -0.0267924000000000, 0.0199517100000000, -0.0017786700000000 ] - [ -0.0167848300000000, 0.0044705900000000, -0.0172965400000000 ] - [ -0.0173724000000000, 0.0042173000000000, -0.0177268400000000 ] - [ -0.0175927200000000, 0.0041331800000000, -0.0174569900000000 ] - [ -0.0173591100000000, 0.0043338300000000, -0.0174189500000000 ] - [ -0.0174457800000000, 0.0042241900000000, -0.0174170600000000 ] - [ -0.0169590800000000, 0.0049005400000000, -0.0179577000000000 ] - [ -0.0180066600000000, 0.0042065100000000, -0.0175854900000000 ]- atom: 49 displacement: [ 0.0042265356520470, 0.0000000000000000, -0.0090629132392391 ] forces: - [ 0.0092588000000000, -0.0112906800000000, -0.0017889100000000 ] - [ 0.0089195800000000, -0.0112235700000000, -0.0012500300000000 ] - [ 0.0089689500000000, -0.0112908000000000, -0.0010605000000000 ] - [ 0.0090022300000000, -0.0112957900000000, -0.0010895300000000 ] - [ 0.0094838200000000, -0.0116517900000000, -0.0016403000000000 ] - [ 0.0087016700000000, -0.0114505600000000, -0.0014141300000000 ] - [ 0.0073030800000000, -0.0167489900000000, -0.0003335500000000 ] - [ 0.0094602900000000, -0.0114310000000000, -0.0007051600000000 ] - [ 0.0090205100000000, -0.0112791900000000, -0.0010456600000000 ] - [ 0.0089957400000000, -0.0113213200000000, -0.0010220900000000 ] - [ 0.0072193700000000, -0.0090027500000000, -0.0004614900000000 ] - [ 0.0092156600000000, -0.0112518900000000, -0.0008032400000000 ] - [ -0.0120580200000000, -0.0122067600000000, -0.0023417100000000 ] - [ -0.0082800100000000, -0.0113925300000000, 0.0003471100000000 ] - [ -0.0090119900000000, -0.0112937000000000, 0.0009990300000000 ] - [ -0.0089898600000000, -0.0112078100000000, 0.0010174600000000 ] - [ -0.0089878300000000, -0.0114375500000000, 0.0011689400000000 ] - [ -0.0089124300000000, -0.0113293700000000, 0.0011011800000000 ] - [ -0.0084546900000000, -0.0110834000000000, 0.0004242000000000 ] - [ -0.0137360800000000, -0.0109256400000000, -0.0040761900000000 ] - [ -0.0089009800000000, -0.0114329900000000, 0.0011354700000000 ] - [ -0.0090958700000000, -0.0114914800000000, 0.0010860800000000 ] - [ -0.0090144800000000, -0.0112697900000000, 0.0009965500000000 ] - [ -0.0089879500000000, -0.0112844500000000, 0.0009526000000000 ] - [ -0.0062767700000000, 0.0137502000000000, 0.0019115200000000 ] - [ -0.0055391600000000, 0.0088963100000000, 0.0049401500000000 ] - [ -0.0089887700000000, 0.0110260600000000, 0.0012729700000000 ] - [ -0.0090625200000000, 0.0115972600000000, 0.0014679900000000 ] - [ -0.0090317500000000, 0.0113082600000000, 0.0011162400000000 ] - [ -0.0089937300000000, 0.0112377200000000, 0.0010824400000000 ] - [ -0.0090372900000000, 0.0112312400000000, 0.0004336100000000 ] - [ -0.0090103400000000, 0.0116374800000000, 0.0004467000000000 ] - [ -0.0089656200000000, 0.0112809100000000, 0.0009517000000000 ] - [ -0.0089453600000000, 0.0112384000000000, 0.0008981400000000 ] - [ -0.0089832800000000, 0.0112639500000000, 0.0009964600000000 ] - [ -0.0089903700000000, 0.0113058300000000, 0.0009869100000000 ] - [ 0.0338587200000000, 0.0348981000000000, -0.0188922400000000 ] - [ 0.0113419200000000, 0.0099564700000000, 0.0010554200000000 ] - [ 0.0090159000000000, 0.0112586700000000, -0.0010995400000000 ] - [ 0.0090248400000000, 0.0112561100000000, -0.0009980800000000 ] - [ 0.0100505000000000, 0.0073977100000000, -0.0003479800000000 ] - [ 0.0088634900000000, 0.0112773000000000, -0.0008736500000000 ] - [ 0.0110675800000000, 0.0076960200000000, -0.0083319700000000 ] - [ 0.0088364400000000, 0.0113292900000000, -0.0012024500000000 ] - [ 0.0090422800000000, 0.0112790000000000, -0.0011916100000000 ] - [ 0.0090429100000000, 0.0112616700000000, -0.0010859900000000 ] - [ 0.0089923800000000, 0.0115078200000000, -0.0013021500000000 ] - [ 0.0090554200000000, 0.0112883100000000, -0.0011888600000000 ] - [ -0.0771105000000000, 0.0183972400000000, 0.1225409000000000 ] - [ 0.0080043800000000, -0.0127910400000000, 0.0062345500000000 ] - [ 0.0075806900000000, -0.0126915200000000, 0.0060775800000000 ] - [ 0.0072477000000000, -0.0130284300000000, 0.0062428400000000 ] - [ 0.0075737000000000, -0.0128957800000000, 0.0060770500000000 ] - [ 0.0072006500000000, -0.0129845300000000, 0.0062209600000000 ] - [ 0.0076733300000000, -0.0131183400000000, 0.0054715600000000 ] - [ 0.0063858200000000, -0.0128741100000000, 0.0053214100000000 ] - [ 0.0070782500000000, -0.0131387300000000, 0.0060126800000000 ] - [ 0.0071676600000000, -0.0130892200000000, 0.0060774300000000 ] - [ 0.0072124800000000, -0.0130396500000000, 0.0060740200000000 ] - [ 0.0071349500000000, -0.0130856500000000, 0.0060619500000000 ] - [ -0.0085954200000000, -0.0134974200000000, -0.0044757600000000 ] - [ -0.0057546200000000, -0.0125295200000000, -0.0061576900000000 ] - [ -0.0071279300000000, -0.0129660600000000, -0.0061477500000000 ] - [ -0.0072067300000000, -0.0129622300000000, -0.0060710300000000 ] - [ -0.0086341800000000, -0.0134921700000000, -0.0044859100000000 ] - [ -0.0067335100000000, -0.0135387700000000, -0.0066173000000000 ] - [ -0.0070961000000000, -0.0128887100000000, -0.0065905500000000 ] - [ -0.0073686300000000, -0.0133865000000000, -0.0064242600000000 ] - [ -0.0071657300000000, -0.0130563900000000, -0.0062408100000000 ] - [ -0.0071646700000000, -0.0130079600000000, -0.0062358300000000 ] - [ -0.0069604300000000, -0.0128592600000000, -0.0065279700000000 ] - [ -0.0074592700000000, -0.0127032300000000, -0.0064653400000000 ] - [ -0.0071005100000000, 0.0139130300000000, -0.0082147400000000 ] - [ -0.0068437900000000, 0.0128504900000000, -0.0066749100000000 ] - [ -0.0071612000000000, 0.0130105700000000, -0.0062013000000000 ] - [ -0.0071523800000000, 0.0129869800000000, -0.0062267600000000 ] - [ -0.0072046300000000, 0.0126527400000000, -0.0065946200000000 ] - [ -0.0071716500000000, 0.0129471000000000, -0.0062903800000000 ] - [ -0.0010561500000000, 0.0092558200000000, -0.0082668800000000 ] - [ -0.0070873900000000, 0.0127985400000000, -0.0040800600000000 ] - [ -0.0072579300000000, 0.0130590000000000, -0.0060372300000000 ] - [ -0.0071458100000000, 0.0130741400000000, -0.0061345000000000 ] - [ -0.0070122200000000, 0.0133991400000000, -0.0059935000000000 ] - [ -0.0073565000000000, 0.0130907600000000, -0.0061017900000000 ] - [ 0.0100548000000000, 0.0101767600000000, -0.0018094400000000 ] - [ 0.0070463400000000, 0.0131853500000000, 0.0063170900000000 ] - [ 0.0069807700000000, 0.0136260100000000, 0.0056846100000000 ] - [ 0.0072204300000000, 0.0130213700000000, 0.0061218700000000 ] - [ 0.0071639000000000, 0.0128837900000000, 0.0062055300000000 ] - [ 0.0071672800000000, 0.0129589000000000, 0.0061629400000000 ] - [ 0.0109754500000000, 0.0203334100000000, -0.0012387400000000 ] - [ 0.0071417000000000, 0.0130211900000000, 0.0063590800000000 ] - [ 0.0073067900000000, 0.0128973100000000, 0.0058337700000000 ] - [ 0.0072210100000000, 0.0128976300000000, 0.0061228400000000 ] - [ 0.0071193200000000, 0.0131575900000000, 0.0061839000000000 ] - [ 0.0071619200000000, 0.0130194300000000, 0.0061604400000000 ] - [ -0.0172720900000000, -0.0039013300000000, -0.0173924600000000 ] - [ -0.0175122800000000, -0.0038684000000000, -0.0167226700000000 ] - [ -0.0173992100000000, -0.0043611300000000, -0.0173261500000000 ] - [ -0.0174036300000000, -0.0042280500000000, -0.0172252700000000 ] - [ -0.0174447500000000, -0.0034040400000000, -0.0169493400000000 ] - [ -0.0172409700000000, -0.0040021700000000, -0.0172612900000000 ] - [ -0.0025175900000000, -0.0212817600000000, -0.0688281800000000 ] - [ -0.0182190000000000, -0.0038914900000000, -0.0182619100000000 ] - [ -0.0173896900000000, -0.0043058400000000, -0.0172258400000000 ] - [ -0.0174689900000000, -0.0041670200000000, -0.0174761000000000 ] - [ -0.0171796900000000, -0.0049670200000000, -0.0176536100000000 ] - [ -0.0174973100000000, -0.0042986400000000, -0.0175391000000000 ] - [ 0.0177987100000000, -0.0052321400000000, 0.0164730000000000 ] - [ 0.0171387000000000, -0.0042959300000000, 0.0175802000000000 ] - [ 0.0174846800000000, -0.0041913300000000, 0.0172544400000000 ] - [ 0.0173324300000000, -0.0044492000000000, 0.0175763500000000 ] - [ 0.0174812600000000, -0.0041562700000000, 0.0173706600000000 ] - [ 0.0174162800000000, -0.0042315500000000, 0.0173635800000000 ] - [ 0.0163493600000000, -0.0057064400000000, 0.0177099900000000 ] - [ 0.0189208400000000, -0.0044016300000000, 0.0174565600000000 ] - [ 0.0164468000000000, -0.0035242700000000, 0.0171166800000000 ] - [ 0.0177777700000000, -0.0036585100000000, 0.0168970600000000 ] - [ 0.0173629600000000, -0.0042492300000000, 0.0174419600000000 ] - [ 0.0174148500000000, -0.0042908100000000, 0.0173476600000000 ] - [ 0.0418036200000000, -0.0023459100000000, 0.0132069800000000 ] - [ 0.0147754100000000, 0.0035499700000000, 0.0166908200000000 ] - [ 0.0175842900000000, 0.0038735100000000, 0.0169739800000000 ] - [ 0.0174805600000000, 0.0039786700000000, 0.0172358800000000 ] - [ 0.0178531600000000, 0.0043316300000000, 0.0172180200000000 ] - [ 0.0172302000000000, 0.0042335100000000, 0.0172404500000000 ] - [ 0.0171119900000000, 0.0044087400000000, 0.0182143600000000 ] - [ 0.0178715800000000, 0.0044705100000000, 0.0188379600000000 ] - [ 0.0174908600000000, 0.0043543900000000, 0.0174911800000000 ] - [ 0.0173833100000000, 0.0043694700000000, 0.0174249000000000 ] - [ 0.0173709400000000, 0.0042924100000000, 0.0177967900000000 ] - [ 0.0174821000000000, 0.0041367600000000, 0.0174717400000000 ] - [ -0.0186701100000000, 0.0025317500000000, -0.0168727700000000 ] - [ -0.0180831400000000, 0.0042187000000000, -0.0172940600000000 ] - [ -0.0174644900000000, 0.0040287900000000, -0.0174086800000000 ] - [ -0.0174295000000000, 0.0042281900000000, -0.0173854800000000 ] - [ -0.0079631400000000, -0.0118716100000000, -0.0329398000000000 ] - [ -0.0180874300000000, 0.0039828200000000, -0.0174166200000000 ] - [ -0.0175017300000000, 0.0042385000000000, -0.0169885800000000 ] - [ -0.0172812800000000, 0.0043200500000000, -0.0172589100000000 ] - [ -0.0175118800000000, 0.0041203200000000, -0.0172940400000000 ] - [ -0.0174247400000000, 0.0042300200000000, -0.0172955500000000 ] - [ -0.0179104900000000, 0.0035627500000000, -0.0167512500000000 ] - [ -0.0168679700000000, 0.0042448600000000, -0.0171253500000000 ]- atom: 97 displacement: [ 0.0099999805866700, 0.0000000000000000, -0.0000197044721447 ] forces: - [ 0.0249556900000000, -0.0007384100000000, -0.0032422800000000 ] - [ 0.0085872200000000, -0.0108580100000000, -0.0012452900000000 ] - [ 0.0089817000000000, -0.0112592400000000, -0.0010348100000000 ] - [ 0.0089051300000000, -0.0111613400000000, -0.0010926600000000 ] - [ 0.0077659800000000, -0.0111460000000000, -0.0002266000000000 ] - [ 0.0087247600000000, -0.0118788000000000, -0.0010251600000000 ] - [ 0.0089801300000000, -0.0113863900000000, -0.0007859100000000 ] - [ 0.0090944100000000, -0.0112723200000000, -0.0014915300000000 ] - [ 0.0090404900000000, -0.0112833800000000, -0.0010220500000000 ] - [ 0.0089750200000000, -0.0113045500000000, -0.0010716300000000 ] - [ 0.0087596400000000, -0.0114751500000000, -0.0007801400000000 ] - [ 0.0089651900000000, -0.0112585600000000, -0.0010268900000000 ] - [ -0.0091831500000000, -0.0131119000000000, 0.0046137000000000 ] - [ 0.0254717600000000, -0.0184765600000000, 0.0153540800000000 ] - [ -0.0095103300000000, -0.0108511000000000, 0.0009280000000000 ] - [ -0.0087497000000000, -0.0121805700000000, 0.0011639600000000 ] - [ -0.0090163500000000, -0.0113190000000000, 0.0010549700000000 ] - [ -0.0089898600000000, -0.0112147100000000, 0.0007998100000000 ] - [ -0.0090476800000000, -0.0115942500000000, -0.0003181300000000 ] - [ -0.0094945400000000, -0.0110256900000000, 0.0012817200000000 ] - [ -0.0089585500000000, -0.0113248100000000, 0.0010145500000000 ] - [ -0.0090503800000000, -0.0112832600000000, 0.0010984500000000 ] - [ -0.0089870600000000, -0.0112855000000000, 0.0010991400000000 ] - [ -0.0090251500000000, -0.0113202000000000, 0.0010221000000000 ] - [ -0.0092515000000000, 0.0113102200000000, 0.0012433600000000 ] - [ -0.0085574100000000, 0.0118585700000000, 0.0007752500000000 ] - [ -0.0092020500000000, 0.0111751700000000, 0.0008804700000000 ] - [ -0.0084557000000000, 0.0110570200000000, 0.0009607700000000 ] - [ -0.0090159000000000, 0.0112510200000000, 0.0010336100000000 ] - [ -0.0090073800000000, 0.0112940000000000, 0.0010484900000000 ] - [ -0.0075883900000000, 0.0108158200000000, 0.0003666000000000 ] - [ -0.0102535400000000, 0.0118826700000000, 0.0013927400000000 ] - [ -0.0087895500000000, 0.0119277400000000, 0.0007695200000000 ] - [ -0.0091350700000000, 0.0112495300000000, 0.0013906000000000 ] - [ -0.0089523200000000, 0.0112707500000000, 0.0010376100000000 ] - [ -0.0090034000000000, 0.0113870000000000, 0.0010258500000000 ] - [ 0.0140875600000000, 0.0124595100000000, -0.0052152100000000 ] - [ 0.0082069900000000, 0.0112447500000000, -0.0011331300000000 ] - [ 0.0090598500000000, 0.0112843100000000, -0.0008147000000000 ] - [ 0.0089236200000000, 0.0112378600000000, -0.0009640700000000 ] - [ 0.0091138900000000, 0.0110479200000000, -0.0014274300000000 ] - [ 0.0088044000000000, 0.0112752400000000, -0.0010536600000000 ] - [ 0.0074803300000000, 0.0090897900000000, -0.0028952200000000 ] - [ 0.0082167400000000, 0.0119782800000000, -0.0030019100000000 ] - [ 0.0091105100000000, 0.0112869900000000, -0.0010435000000000 ] - [ 0.0090050100000000, 0.0113124800000000, -0.0011536200000000 ] - [ 0.0089492400000000, 0.0114442100000000, -0.0007099300000000 ] - [ 0.0090301700000000, 0.0110828500000000, -0.0011593300000000 ] - [ 0.0067035400000000, -0.0141197400000000, 0.0057959700000000 ] - [ 0.0064424800000000, -0.0123714900000000, 0.0058976200000000 ] - [ 0.0073447400000000, -0.0128264400000000, 0.0062597000000000 ] - [ 0.0070884100000000, -0.0132942600000000, 0.0059089000000000 ] - [ 0.0073319300000000, -0.0130427900000000, 0.0061986700000000 ] - [ 0.0071571400000000, -0.0130153000000000, 0.0061222100000000 ] - [ 0.0200212600000000, -0.0184755600000000, -0.0047180600000000 ] - [ 0.0058341200000000, -0.0134014000000000, 0.0064069600000000 ] - [ 0.0074035500000000, -0.0132600100000000, 0.0059821000000000 ] - [ 0.0068410600000000, -0.0128964100000000, 0.0060776500000000 ] - [ 0.0074407900000000, -0.0129864200000000, 0.0062382000000000 ] - [ 0.0070727600000000, -0.0130342000000000, 0.0061535300000000 ] - [ -0.0076650200000000, -0.0127197700000000, -0.0051880000000000 ] - [ -0.0072303700000000, -0.0137621800000000, -0.0078453500000000 ] - [ -0.0071677300000000, -0.0129254300000000, -0.0060797900000000 ] - [ -0.0072021700000000, -0.0130755800000000, -0.0061552600000000 ] - [ -0.0073269300000000, -0.0135295100000000, -0.0051408100000000 ] - [ -0.0071481000000000, -0.0127870200000000, -0.0065334400000000 ] - [ -0.0061696700000000, -0.0122203700000000, -0.0061025600000000 ] - [ -0.0079930100000000, -0.0133288000000000, -0.0062184100000000 ] - [ -0.0071342100000000, -0.0129700300000000, -0.0061973500000000 ] - [ -0.0072588800000000, -0.0130217700000000, -0.0061844300000000 ] - [ -0.0064725200000000, -0.0130215200000000, -0.0058952700000000 ] - [ -0.0075819700000000, -0.0131370200000000, -0.0062369500000000 ] - [ 0.0447060600000000, -0.0022548100000000, -0.0084706500000000 ] - [ -0.0065151400000000, 0.0108072000000000, -0.0028987100000000 ] - [ -0.0070536400000000, 0.0130323500000000, -0.0062764500000000 ] - [ -0.0072004900000000, 0.0130372300000000, -0.0062258800000000 ] - [ -0.0065948400000000, 0.0122120500000000, -0.0063553500000000 ] - [ -0.0076241200000000, 0.0132886100000000, -0.0061520500000000 ] - [ -0.0066196800000000, 0.0128787500000000, -0.0055431400000000 ] - [ -0.0073772200000000, 0.0131087700000000, -0.0067349600000000 ] - [ -0.0071298800000000, 0.0130035000000000, -0.0062052400000000 ] - [ -0.0072915200000000, 0.0130064800000000, -0.0061605700000000 ] - [ -0.0070516500000000, 0.0129158800000000, -0.0060364100000000 ] - [ -0.0071607400000000, 0.0129178100000000, -0.0062072400000000 ] - [ 0.0218163500000000, 0.0237196100000000, 0.0026122300000000 ] - [ 0.0060675000000000, 0.0133115200000000, 0.0063631100000000 ] - [ 0.0068233900000000, 0.0129250900000000, 0.0073897400000000 ] - [ 0.0064550400000000, 0.0127930200000000, 0.0065526200000000 ] - [ 0.0071939500000000, 0.0131491500000000, 0.0062053600000000 ] - [ 0.0070410800000000, 0.0130306900000000, 0.0060969300000000 ] - [ 0.0072912500000000, 0.0135500300000000, 0.0067497800000000 ] - [ 0.0070808300000000, 0.0130194500000000, 0.0054964300000000 ] - [ 0.0074203300000000, 0.0128692700000000, 0.0063530000000000 ] - [ 0.0070720300000000, 0.0130770800000000, 0.0059473100000000 ] - [ 0.0072313700000000, 0.0130710000000000, 0.0062747200000000 ] - [ 0.0071124200000000, 0.0129870200000000, 0.0061250500000000 ] - [ -0.1673711600000000, 0.0018942000000000, -0.0165937900000000 ] - [ -0.0131064300000000, -0.0033027800000000, -0.0186237000000000 ] - [ -0.0174716100000000, -0.0049262200000000, -0.0179690200000000 ] - [ -0.0170618200000000, -0.0044225200000000, -0.0173819200000000 ] - [ -0.0174737700000000, -0.0051129900000000, -0.0175416400000000 ] - [ -0.0170614000000000, -0.0042634500000000, -0.0173508200000000 ] - [ -0.0160813000000000, -0.0031631800000000, -0.0198122300000000 ] - [ -0.0162655400000000, -0.0039468500000000, -0.0138896200000000 ] - [ -0.0174599300000000, -0.0041784300000000, -0.0175253100000000 ] - [ -0.0174212100000000, -0.0042252800000000, -0.0173052800000000 ] - [ -0.0174610500000000, -0.0042705900000000, -0.0175886100000000 ] - [ -0.0174218700000000, -0.0042165000000000, -0.0173285900000000 ] - [ 0.0204657000000000, 0.0009410800000000, 0.0162862900000000 ] - [ 0.0192365700000000, -0.0050980300000000, 0.0173769600000000 ] - [ 0.0204855200000000, -0.0073783900000000, 0.0176610600000000 ] - [ 0.0192513000000000, -0.0010082100000000, 0.0168255800000000 ] - [ 0.0173402200000000, -0.0044330100000000, 0.0174715800000000 ] - [ 0.0174886900000000, -0.0044249600000000, 0.0173541900000000 ] - [ 0.0172587900000000, -0.0040395000000000, 0.0175440200000000 ] - [ 0.0175186900000000, -0.0043942500000000, 0.0173663800000000 ] - [ 0.0172601500000000, -0.0043126900000000, 0.0174868700000000 ] - [ 0.0175198200000000, -0.0042488300000000, 0.0178477200000000 ] - [ 0.0174461000000000, -0.0042041200000000, 0.0173314000000000 ] - [ 0.0175352300000000, -0.0041568400000000, 0.0173762700000000 ] - [ 0.0180266800000000, 0.0040805400000000, 0.0161743000000000 ] - [ 0.0203103500000000, 0.0021704800000000, 0.0213105600000000 ] - [ 0.0174876900000000, 0.0040030700000000, 0.0172455600000000 ] - [ 0.0174090800000000, 0.0045605600000000, 0.0175071200000000 ] - [ 0.0175939800000000, 0.0043392000000000, 0.0172978700000000 ] - [ 0.0173867300000000, 0.0042817000000000, 0.0174563500000000 ] - [ 0.0174233400000000, 0.0068647000000000, 0.0256074200000000 ] - [ 0.0190584100000000, 0.0041629800000000, 0.0172347700000000 ] - [ 0.0172385700000000, 0.0042708900000000, 0.0174149600000000 ] - [ 0.0176472800000000, 0.0042189300000000, 0.0172799000000000 ] - [ 0.0171737500000000, 0.0044199200000000, 0.0173283400000000 ] - [ 0.0177287800000000, 0.0039006800000000, 0.0174602400000000 ] - [ -0.0175682400000000, 0.0042039800000000, -0.0182192600000000 ] - [ -0.0166767200000000, 0.0045585700000000, -0.0165023300000000 ] - [ -0.0175396900000000, 0.0040608400000000, -0.0174175600000000 ] - [ -0.0173974500000000, 0.0043455800000000, -0.0173705900000000 ] - [ -0.0173631100000000, 0.0046401400000000, -0.0186921500000000 ] - [ -0.0172621100000000, 0.0042357800000000, -0.0171353000000000 ] - [ -0.0175745400000000, 0.0052180300000000, -0.0181967100000000 ] - [ -0.0166823200000000, 0.0039607400000000, -0.0169739100000000 ] - [ -0.0175397400000000, 0.0040310100000000, -0.0173653800000000 ] - [ -0.0173963900000000, 0.0042469800000000, -0.0173386100000000 ] - [ -0.0173699400000000, 0.0037359600000000, -0.0199471500000000 ] - [ -0.0172584400000000, 0.0049333000000000, -0.0170422300000000 ]- atom: 97 displacement: [ -0.0099999805866700, 0.0000000000000000, 0.0000197044721447 ] forces: - [ -0.0067295400000000, -0.0215419300000000, 0.0010426800000000 ] - [ 0.0094058600000000, -0.0117454800000000, -0.0008678500000000 ] - [ 0.0090099700000000, -0.0113199800000000, -0.0010663500000000 ] - [ 0.0090851400000000, -0.0114249400000000, -0.0010127100000000 ] - [ 0.0102708900000000, -0.0114590900000000, -0.0018990500000000 ] - [ 0.0092642900000000, -0.0107057300000000, -0.0010789200000000 ] - [ 0.0090120200000000, -0.0112023400000000, -0.0013105700000000 ] - [ 0.0088979400000000, -0.0113123800000000, -0.0006130500000000 ] - [ 0.0089523800000000, -0.0113018900000000, -0.0010792600000000 ] - [ 0.0090166200000000, -0.0112803300000000, -0.0010312000000000 ] - [ 0.0092344900000000, -0.0111161300000000, -0.0013167700000000 ] - [ 0.0090272700000000, -0.0113273600000000, -0.0010746600000000 ] - [ -0.0088773200000000, -0.0094551500000000, -0.0025088800000000 ] - [ -0.0418613700000000, -0.0048352300000000, -0.0125355500000000 ] - [ -0.0084936200000000, -0.0117289100000000, 0.0011734200000000 ] - [ -0.0092344300000000, -0.0104091600000000, 0.0009434200000000 ] - [ -0.0089762400000000, -0.0112647400000000, 0.0010482700000000 ] - [ -0.0089969500000000, -0.0113714400000000, 0.0013034300000000 ] - [ -0.0089344000000000, -0.0109847000000000, 0.0024271200000000 ] - [ -0.0085000700000000, -0.0115561700000000, 0.0008277500000000 ] - [ -0.0090352600000000, -0.0112619500000000, 0.0010881000000000 ] - [ -0.0089415200000000, -0.0113033400000000, 0.0010065600000000 ] - [ -0.0090055400000000, -0.0112983600000000, 0.0010033000000000 ] - [ -0.0089654400000000, -0.0112642700000000, 0.0010805200000000 ] - [ -0.0087385300000000, 0.0112781700000000, 0.0008541700000000 ] - [ -0.0094326900000000, 0.0107182400000000, 0.0013358200000000 ] - [ -0.0087918500000000, 0.0114056500000000, 0.0012209600000000 ] - [ -0.0095340700000000, 0.0115275900000000, 0.0011471300000000 ] - [ -0.0089769300000000, 0.0113333000000000, 0.0010693700000000 ] - [ -0.0089843600000000, 0.0112907900000000, 0.0010562400000000 ] - [ -0.0104108600000000, 0.0117672400000000, 0.0017291500000000 ] - [ -0.0077364400000000, 0.0107149600000000, 0.0007121700000000 ] - [ -0.0092073700000000, 0.0106565300000000, 0.0013264200000000 ] - [ -0.0088623900000000, 0.0113251400000000, 0.0007204700000000 ] - [ -0.0090413700000000, 0.0113137400000000, 0.0010646900000000 ] - [ -0.0089875500000000, 0.0111976400000000, 0.0010776400000000 ] - [ 0.0037859500000000, 0.0101562100000000, 0.0030732600000000 ] - [ 0.0097873500000000, 0.0113383600000000, -0.0009862200000000 ] - [ 0.0089336700000000, 0.0113002400000000, -0.0012856900000000 ] - [ 0.0090663900000000, 0.0113462500000000, -0.0011376000000000 ] - [ 0.0088789200000000, 0.0115346500000000, -0.0006705100000000 ] - [ 0.0091887500000000, 0.0113108800000000, -0.0010504400000000 ] - [ 0.0105348900000000, 0.0134955600000000, 0.0008043400000000 ] - [ 0.0097353300000000, 0.0106385200000000, 0.0009059800000000 ] - [ 0.0088834200000000, 0.0112967200000000, -0.0010597500000000 ] - [ 0.0089844200000000, 0.0112727800000000, -0.0009495300000000 ] - [ 0.0090485600000000, 0.0111414200000000, -0.0013948300000000 ] - [ 0.0089614700000000, 0.0115054600000000, -0.0009430200000000 ] - [ 0.0076392400000000, -0.0119044000000000, 0.0065498200000000 ] - [ 0.0079018800000000, -0.0136479300000000, 0.0064143300000000 ] - [ 0.0070013800000000, -0.0131968700000000, 0.0060727900000000 ] - [ 0.0072616700000000, -0.0127353900000000, 0.0064184600000000 ] - [ 0.0070161400000000, -0.0129841500000000, 0.0061321900000000 ] - [ 0.0071907100000000, -0.0130120700000000, 0.0062083700000000 ] - [ -0.0057953300000000, -0.0075174100000000, 0.0170566300000000 ] - [ 0.0085128200000000, -0.0126156300000000, 0.0059287200000000 ] - [ 0.0069465900000000, -0.0127698800000000, 0.0063389200000000 ] - [ 0.0075091100000000, -0.0131305400000000, 0.0062531100000000 ] - [ 0.0069061200000000, -0.0130414500000000, 0.0060895000000000 ] - [ 0.0072753800000000, -0.0129934700000000, 0.0061753100000000 ] - [ -0.0066935700000000, -0.0133135000000000, -0.0071411000000000 ] - [ -0.0070909400000000, -0.0122547500000000, -0.0044977500000000 ] - [ -0.0071830700000000, -0.0131017200000000, -0.0062486900000000 ] - [ -0.0071451700000000, -0.0129526600000000, -0.0061740600000000 ] - [ -0.0070287400000000, -0.0124976600000000, -0.0071873300000000 ] - [ -0.0072013000000000, -0.0132387300000000, -0.0057990100000000 ] - [ -0.0081829000000000, -0.0138228800000000, -0.0062264100000000 ] - [ -0.0063566100000000, -0.0127084000000000, -0.0061083000000000 ] - [ -0.0072162300000000, -0.0130572500000000, -0.0061338800000000 ] - [ -0.0070891200000000, -0.0130062300000000, -0.0061454200000000 ] - [ -0.0078794600000000, -0.0130055700000000, -0.0064383900000000 ] - [ -0.0067705100000000, -0.0128845300000000, -0.0060873700000000 ] - [ -0.0618323200000000, 0.0293499200000000, -0.0040606900000000 ] - [ -0.0077895800000000, 0.0152056400000000, -0.0094089500000000 ] - [ -0.0072949600000000, 0.0129971900000000, -0.0060571700000000 ] - [ -0.0071471800000000, 0.0129902200000000, -0.0061042800000000 ] - [ -0.0077616500000000, 0.0138139200000000, -0.0059779400000000 ] - [ -0.0067219000000000, 0.0127288300000000, -0.0061855000000000 ] - [ -0.0077286300000000, 0.0131483800000000, -0.0067863200000000 ] - [ -0.0069661500000000, 0.0129198500000000, -0.0055722700000000 ] - [ -0.0072204300000000, 0.0130239700000000, -0.0061244300000000 ] - [ -0.0070574900000000, 0.0130207700000000, -0.0061679200000000 ] - [ -0.0072978600000000, 0.0131113200000000, -0.0062950900000000 ] - [ -0.0071894500000000, 0.0131092800000000, -0.0061194800000000 ] - [ -0.0074468000000000, 0.0021369000000000, 0.0098096800000000 ] - [ 0.0082919200000000, 0.0127357200000000, 0.0059639600000000 ] - [ 0.0074961500000000, 0.0131171900000000, 0.0049688900000000 ] - [ 0.0078855300000000, 0.0132362200000000, 0.0057808700000000 ] - [ 0.0071552100000000, 0.0128729700000000, 0.0061230100000000 ] - [ 0.0073067400000000, 0.0129980900000000, 0.0062331200000000 ] - [ 0.0070531200000000, 0.0124829100000000, 0.0055866000000000 ] - [ 0.0072652700000000, 0.0130080800000000, 0.0068376200000000 ] - [ 0.0069263900000000, 0.0131580100000000, 0.0059788800000000 ] - [ 0.0072765600000000, 0.0129451700000000, 0.0063843200000000 ] - [ 0.0071178100000000, 0.0129568900000000, 0.0060543100000000 ] - [ 0.0072362000000000, 0.0130394200000000, 0.0062053300000000 ] - [ 0.1338742800000000, -0.0108546800000000, -0.0183212000000000 ] - [ -0.0217441600000000, -0.0051555500000000, -0.0161116600000000 ] - [ -0.0173970800000000, -0.0035405300000000, -0.0167513200000000 ] - [ -0.0178089700000000, -0.0040253000000000, -0.0173322200000000 ] - [ -0.0174012200000000, -0.0033257600000000, -0.0171757600000000 ] - [ -0.0178085500000000, -0.0041934600000000, -0.0173629300000000 ] - [ -0.0187990900000000, -0.0052874300000000, -0.0149076700000000 ] - [ -0.0185994900000000, -0.0045048300000000, -0.0208147700000000 ] - [ -0.0174100700000000, -0.0042732800000000, -0.0171920100000000 ] - [ -0.0174493200000000, -0.0042246500000000, -0.0174099700000000 ] - [ -0.0174107900000000, -0.0041839500000000, -0.0171268300000000 ] - [ -0.0174499200000000, -0.0042381300000000, -0.0173871300000000 ] - [ 0.0144002400000000, -0.0094293300000000, 0.0184274800000000 ] - [ 0.0156262200000000, -0.0033551600000000, 0.0173499800000000 ] - [ 0.0144145600000000, -0.0010695400000000, 0.0170648800000000 ] - [ 0.0156437100000000, -0.0073669000000000, 0.0178941100000000 ] - [ 0.0175310800000000, -0.0040220000000000, 0.0172435500000000 ] - [ 0.0173823100000000, -0.0040319900000000, 0.0173603100000000 ] - [ 0.0176103000000000, -0.0044158200000000, 0.0171733000000000 ] - [ 0.0173503800000000, -0.0040590900000000, 0.0173345900000000 ] - [ 0.0176114500000000, -0.0041375300000000, 0.0172227400000000 ] - [ 0.0173497400000000, -0.0041977500000000, 0.0168612400000000 ] - [ 0.0174256000000000, -0.0042487700000000, 0.0173833100000000 ] - [ 0.0173361700000000, -0.0042957300000000, 0.0173366000000000 ] - [ 0.0168591400000000, 0.0043678100000000, 0.0185424000000000 ] - [ 0.0145344400000000, 0.0062567800000000, 0.0133720000000000 ] - [ 0.0173851200000000, 0.0044486100000000, 0.0174690400000000 ] - [ 0.0174585400000000, 0.0038961800000000, 0.0172079700000000 ] - [ 0.0172782300000000, 0.0041136700000000, 0.0174164600000000 ] - [ 0.0174844600000000, 0.0041718700000000, 0.0172567900000000 ] - [ 0.0172575500000000, 0.0015321800000000, 0.0088359200000000 ] - [ 0.0158022300000000, 0.0042961600000000, 0.0174628800000000 ] - [ 0.0176333600000000, 0.0041844400000000, 0.0173032900000000 ] - [ 0.0172240800000000, 0.0042395700000000, 0.0174325800000000 ] - [ 0.0177002200000000, 0.0040300400000000, 0.0173890000000000 ] - [ 0.0171453800000000, 0.0045447700000000, 0.0172522300000000 ] - [ -0.0172916200000000, 0.0042459100000000, -0.0165060000000000 ] - [ -0.0181931100000000, 0.0038965100000000, -0.0181982000000000 ] - [ -0.0173316000000000, 0.0043927600000000, -0.0172977100000000 ] - [ -0.0174747100000000, 0.0041088600000000, -0.0173433300000000 ] - [ -0.0175042200000000, 0.0038132300000000, -0.0160242600000000 ] - [ -0.0176172400000000, 0.0042097000000000, -0.0175766100000000 ] - [ -0.0172978900000000, 0.0032587500000000, -0.0165369600000000 ] - [ -0.0181974900000000, 0.0044937200000000, -0.0177417600000000 ] - [ -0.0173321400000000, 0.0044206100000000, -0.0173484400000000 ] - [ -0.0174738600000000, 0.0042079100000000, -0.0173747300000000 ] - [ -0.0175063300000000, 0.0046904700000000, -0.0147583800000000 ] - [ -0.0176144100000000, 0.0035078400000000, -0.0176797800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0195344800000000, 0.0278644100000000, -0.0067047700000000 ] - [ 0.0098971100000000, -0.0108504200000000, -0.0007597000000000 ] - [ 0.0092165400000000, -0.0120286300000000, -0.0013436600000000 ] - [ 0.0091726100000000, -0.0116579900000000, -0.0009938900000000 ] - [ 0.0107889000000000, -0.0107665400000000, -0.0021131200000000 ] - [ 0.0085436500000000, -0.0113603100000000, -0.0013462300000000 ] - [ 0.0091705300000000, -0.0105488100000000, -0.0018359800000000 ] - [ 0.0091361900000000, -0.0109481700000000, -0.0011106100000000 ] - [ 0.0090024000000000, -0.0116637600000000, -0.0012947400000000 ] - [ 0.0090736300000000, -0.0115427500000000, -0.0010896200000000 ] - [ 0.0090597900000000, -0.0115698000000000, -0.0004923300000000 ] - [ 0.0089209300000000, -0.0114369400000000, -0.0009665700000000 ] - [ -0.0091916800000000, -0.0115540000000000, 0.0016963900000000 ] - [ -0.0194475000000000, 0.0025363200000000, -0.0040879700000000 ] - [ -0.0082996100000000, -0.0117106000000000, 0.0015437700000000 ] - [ -0.0098273400000000, -0.0116391100000000, 0.0007429600000000 ] - [ -0.0091672600000000, -0.0117058300000000, 0.0011934600000000 ] - [ -0.0092336900000000, -0.0118780600000000, 0.0014591700000000 ] - [ -0.0088289000000000, -0.0110816100000000, 0.0009934000000000 ] - [ -0.0090353700000000, -0.0109199800000000, 0.0012883900000000 ] - [ -0.0088410300000000, -0.0112985800000000, 0.0011586700000000 ] - [ -0.0091329600000000, -0.0113606100000000, 0.0009386200000000 ] - [ -0.0090808600000000, -0.0116193700000000, 0.0010409400000000 ] - [ -0.0090079000000000, -0.0116644500000000, 0.0009852800000000 ] - [ -0.0089926900000000, 0.0116837300000000, 0.0011431200000000 ] - [ -0.0088314900000000, 0.0115569100000000, 0.0017822700000000 ] - [ -0.0087678000000000, 0.0114909400000000, 0.0008624000000000 ] - [ -0.0095760700000000, 0.0108826800000000, 0.0004296000000000 ] - [ -0.0089356600000000, 0.0110114300000000, 0.0010048400000000 ] - [ -0.0089409600000000, 0.0109049300000000, 0.0010405300000000 ] - [ -0.0079071100000000, 0.0125146300000000, 0.0010251700000000 ] - [ -0.0076549500000000, 0.0120361500000000, 0.0005993100000000 ] - [ -0.0088946100000000, 0.0106021400000000, 0.0023833800000000 ] - [ -0.0092223900000000, 0.0115636300000000, 0.0010680700000000 ] - [ -0.0089457600000000, 0.0108847900000000, 0.0009322400000000 ] - [ -0.0089831500000000, 0.0108260100000000, 0.0010079800000000 ] - [ 0.0103462700000000, 0.0255134800000000, 0.0088712300000000 ] - [ 0.0089239700000000, 0.0117841900000000, -0.0012544200000000 ] - [ 0.0086073700000000, 0.0105705300000000, -0.0009691500000000 ] - [ 0.0091299700000000, 0.0108805200000000, -0.0010037800000000 ] - [ 0.0088436900000000, 0.0107756800000000, -0.0004837900000000 ] - [ 0.0089187000000000, 0.0110428300000000, -0.0008977200000000 ] - [ 0.0083003000000000, 0.0108475600000000, -0.0015874000000000 ] - [ 0.0088982100000000, 0.0113123100000000, -0.0004220200000000 ] - [ 0.0087287100000000, 0.0109077600000000, -0.0009416800000000 ] - [ 0.0090041600000000, 0.0110035800000000, -0.0009698100000000 ] - [ 0.0090271900000000, 0.0109121200000000, -0.0018704400000000 ] - [ 0.0089628200000000, 0.0112204400000000, -0.0011856600000000 ] - [ 0.0060047700000000, -0.0135017200000000, 0.0052860000000000 ] - [ 0.0072108900000000, -0.0125532500000000, 0.0057877300000000 ] - [ 0.0071918800000000, -0.0133321300000000, 0.0052668700000000 ] - [ 0.0071355800000000, -0.0130960700000000, 0.0058969400000000 ] - [ 0.0070430700000000, -0.0134079400000000, 0.0062531500000000 ] - [ 0.0072912200000000, -0.0133348800000000, 0.0062210200000000 ] - [ -0.0001797900000000, 0.0030660500000000, 0.0220547400000000 ] - [ 0.0071908400000000, -0.0123241000000000, 0.0058000300000000 ] - [ 0.0072127000000000, -0.0132249800000000, 0.0070106500000000 ] - [ 0.0073037700000000, -0.0130038100000000, 0.0063069800000000 ] - [ 0.0067585800000000, -0.0137064900000000, 0.0060639300000000 ] - [ 0.0073031400000000, -0.0133572300000000, 0.0061604800000000 ] - [ -0.0060238700000000, -0.0119744400000000, -0.0072657000000000 ] - [ -0.0071129500000000, -0.0124171500000000, -0.0063365100000000 ] - [ -0.0071568300000000, -0.0135177700000000, -0.0061821900000000 ] - [ -0.0073009900000000, -0.0133869300000000, -0.0062968500000000 ] - [ -0.0077929300000000, -0.0136447300000000, -0.0056799600000000 ] - [ -0.0068909900000000, -0.0138032900000000, -0.0054100700000000 ] - [ -0.0068200800000000, -0.0119647800000000, -0.0071055600000000 ] - [ -0.0069772000000000, -0.0128591700000000, -0.0061500000000000 ] - [ -0.0070907100000000, -0.0133306600000000, -0.0060485000000000 ] - [ -0.0071807200000000, -0.0132100400000000, -0.0061734100000000 ] - [ -0.0083652700000000, -0.0138292000000000, -0.0066797700000000 ] - [ -0.0068193900000000, -0.0129398600000000, -0.0062457900000000 ] - [ -0.0224696800000000, 0.0275964300000000, -0.0059363500000000 ] - [ -0.0062721100000000, 0.0127796800000000, -0.0050183200000000 ] - [ -0.0071849900000000, 0.0123747500000000, -0.0057781100000000 ] - [ -0.0073979600000000, 0.0126191700000000, -0.0059923500000000 ] - [ -0.0076530200000000, 0.0127613400000000, -0.0065052500000000 ] - [ -0.0063070800000000, 0.0125939700000000, -0.0057677400000000 ] - [ -0.0069727300000000, 0.0135821700000000, -0.0062720100000000 ] - [ -0.0071344600000000, 0.0134198400000000, -0.0064120800000000 ] - [ -0.0071288500000000, 0.0126379400000000, -0.0062838900000000 ] - [ -0.0071224600000000, 0.0126829900000000, -0.0063000400000000 ] - [ -0.0072974100000000, 0.0128640200000000, -0.0062956100000000 ] - [ -0.0070375200000000, 0.0130217400000000, -0.0060026500000000 ] - [ 0.0199867100000000, 0.0630576600000000, -0.0048119400000000 ] - [ 0.0078225900000000, 0.0136200800000000, 0.0062001400000000 ] - [ 0.0087999100000000, 0.0143957000000000, 0.0050240500000000 ] - [ 0.0071603200000000, 0.0127918500000000, 0.0061526600000000 ] - [ 0.0074431400000000, 0.0122230800000000, 0.0060719000000000 ] - [ 0.0072699700000000, 0.0126619700000000, 0.0062109400000000 ] - [ 0.0072648100000000, 0.0135722800000000, 0.0054697200000000 ] - [ 0.0071190300000000, 0.0132674300000000, 0.0061616400000000 ] - [ 0.0072488900000000, 0.0129994000000000, 0.0062081000000000 ] - [ 0.0071098600000000, 0.0130137900000000, 0.0062385800000000 ] - [ 0.0071358900000000, 0.0126480000000000, 0.0060286900000000 ] - [ 0.0072072600000000, 0.0127925200000000, 0.0061835100000000 ] - [ -0.0110547800000000, -0.1635235400000000, -0.0196942300000000 ] - [ -0.0165080100000000, -0.0042812400000000, -0.0176897400000000 ] - [ -0.0183396000000000, -0.0019859800000000, -0.0167495100000000 ] - [ -0.0174686100000000, -0.0036846700000000, -0.0174664900000000 ] - [ -0.0181221200000000, -0.0020355700000000, -0.0169627000000000 ] - [ -0.0176331500000000, -0.0036819000000000, -0.0173215100000000 ] - [ -0.0163732700000000, -0.0042682400000000, -0.0184547400000000 ] - [ -0.0171540100000000, -0.0047129400000000, -0.0173779600000000 ] - [ -0.0174786700000000, -0.0037531900000000, -0.0172047000000000 ] - [ -0.0174249400000000, -0.0040853400000000, -0.0172074500000000 ] - [ -0.0173889100000000, -0.0037503200000000, -0.0172838700000000 ] - [ -0.0174355000000000, -0.0040803200000000, -0.0173959300000000 ] - [ 0.0205706500000000, -0.0030930100000000, 0.0186695600000000 ] - [ 0.0142804200000000, -0.0045829900000000, 0.0157820900000000 ] - [ 0.0122253600000000, -0.0030955700000000, 0.0164238700000000 ] - [ 0.0183178800000000, -0.0045829700000000, 0.0173633600000000 ] - [ 0.0176389600000000, -0.0029233400000000, 0.0170776500000000 ] - [ 0.0176334500000000, -0.0030294600000000, 0.0172944100000000 ] - [ 0.0175227500000000, -0.0043534700000000, 0.0179666300000000 ] - [ 0.0174607900000000, -0.0044253400000000, 0.0173042000000000 ] - [ 0.0172496200000000, -0.0043623300000000, 0.0173656000000000 ] - [ 0.0176047800000000, -0.0044288700000000, 0.0173861300000000 ] - [ 0.0174129100000000, -0.0037601200000000, 0.0173494600000000 ] - [ 0.0173675300000000, -0.0038165000000000, 0.0174671600000000 ] - [ 0.0172966800000000, 0.0033183700000000, 0.0174998200000000 ] - [ 0.0153773100000000, 0.0030377500000000, 0.0185255400000000 ] - [ 0.0172134400000000, 0.0055462300000000, 0.0176324000000000 ] - [ 0.0177700400000000, 0.0047529300000000, 0.0175698600000000 ] - [ 0.0175456300000000, 0.0049536000000000, 0.0173015200000000 ] - [ 0.0174906800000000, 0.0049105500000000, 0.0170990900000000 ] - [ 0.0200931200000000, 0.0061359400000000, 0.0136283000000000 ] - [ 0.0173634300000000, 0.0035294700000000, 0.0175799500000000 ] - [ 0.0174775200000000, 0.0045861600000000, 0.0169600500000000 ] - [ 0.0174258300000000, 0.0044184000000000, 0.0173350700000000 ] - [ 0.0176291400000000, 0.0046537900000000, 0.0174307500000000 ] - [ 0.0171155300000000, 0.0054018300000000, 0.0173293200000000 ] - [ -0.0184224400000000, 0.0042834400000000, -0.0133675400000000 ] - [ -0.0171611100000000, 0.0040622200000000, -0.0168234500000000 ] - [ -0.0172430100000000, 0.0054182100000000, -0.0173568500000000 ] - [ -0.0174539200000000, 0.0046672100000000, -0.0173930700000000 ] - [ -0.0169737300000000, 0.0052039100000000, -0.0198837600000000 ] - [ -0.0181465300000000, 0.0040635000000000, -0.0179019800000000 ] - [ -0.0174147800000000, 0.0042797100000000, -0.0182323700000000 ] - [ -0.0177674100000000, 0.0040585600000000, -0.0176795600000000 ] - [ -0.0172705000000000, 0.0054210800000000, -0.0175365800000000 ] - [ -0.0175541100000000, 0.0046677700000000, -0.0173784700000000 ] - [ -0.0178302600000000, 0.0052153400000000, -0.0124827500000000 ] - [ -0.0174503200000000, 0.0040646200000000, -0.0170704800000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006169500000000, -0.0484823100000000, 0.0042011500000000 ] - [ 0.0081004400000000, -0.0117213100000000, -0.0013458500000000 ] - [ 0.0087793100000000, -0.0105545900000000, -0.0007597100000000 ] - [ 0.0088190600000000, -0.0109258100000000, -0.0011101600000000 ] - [ 0.0071933800000000, -0.0119126500000000, 0.0000274100000000 ] - [ 0.0094512100000000, -0.0112283800000000, -0.0007590900000000 ] - [ 0.0088278300000000, -0.0120249600000000, -0.0002724500000000 ] - [ 0.0088559700000000, -0.0116293600000000, -0.0009955000000000 ] - [ 0.0089897900000000, -0.0109185600000000, -0.0008079300000000 ] - [ 0.0089189700000000, -0.0110397400000000, -0.0010142100000000 ] - [ 0.0089292000000000, -0.0110222300000000, -0.0016118900000000 ] - [ 0.0090731500000000, -0.0111507900000000, -0.0011381200000000 ] - [ -0.0088224800000000, -0.0110703900000000, 0.0004370200000000 ] - [ 0.0016387000000000, -0.0252744900000000, 0.0062846300000000 ] - [ -0.0096967800000000, -0.0108697900000000, 0.0005564800000000 ] - [ -0.0081769500000000, -0.0109530600000000, 0.0013524600000000 ] - [ -0.0088240800000000, -0.0108778300000000, 0.0009118400000000 ] - [ -0.0087614600000000, -0.0107034300000000, 0.0006404800000000 ] - [ -0.0091513500000000, -0.0115201700000000, 0.0010987700000000 ] - [ -0.0089514300000000, -0.0116713500000000, 0.0008141100000000 ] - [ -0.0091492900000000, -0.0112840200000000, 0.0009443300000000 ] - [ -0.0088590100000000, -0.0112214300000000, 0.0011631600000000 ] - [ -0.0089106900000000, -0.0109663800000000, 0.0010627500000000 ] - [ -0.0089885100000000, -0.0109201300000000, 0.0011170600000000 ] - [ -0.0089976100000000, 0.0108893100000000, 0.0009599200000000 ] - [ -0.0091681700000000, 0.0110136000000000, 0.0003192900000000 ] - [ -0.0092244300000000, 0.0110965500000000, 0.0012353400000000 ] - [ -0.0084204900000000, 0.0117012000000000, 0.0016670700000000 ] - [ -0.0090553400000000, 0.0115733500000000, 0.0010975700000000 ] - [ -0.0090520400000000, 0.0116791800000000, 0.0010605500000000 ] - [ -0.0100950600000000, 0.0100442700000000, 0.0010837500000000 ] - [ -0.0103379700000000, 0.0105316900000000, 0.0015050100000000 ] - [ -0.0090940800000000, 0.0119822100000000, -0.0002631000000000 ] - [ -0.0087749400000000, 0.0110202900000000, 0.0010407000000000 ] - [ -0.0090460800000000, 0.0116991600000000, 0.0011712500000000 ] - [ -0.0090120000000000, 0.0117565900000000, 0.0010969900000000 ] - [ 0.0076069900000000, -0.0028050400000000, -0.0107838100000000 ] - [ 0.0090674400000000, 0.0108118900000000, -0.0008438900000000 ] - [ 0.0093879400000000, 0.0120098700000000, -0.0011423500000000 ] - [ 0.0088625400000000, 0.0117039300000000, -0.0011020700000000 ] - [ 0.0091484400000000, 0.0118158900000000, -0.0016313500000000 ] - [ 0.0090752900000000, 0.0115397700000000, -0.0012057300000000 ] - [ 0.0097333300000000, 0.0117768000000000, -0.0005101900000000 ] - [ 0.0090766700000000, 0.0112958000000000, -0.0016832300000000 ] - [ 0.0092620000000000, 0.0116785700000000, -0.0011599100000000 ] - [ 0.0089880900000000, 0.0115828500000000, -0.0011329800000000 ] - [ 0.0089664100000000, 0.0116678500000000, -0.0002329700000000 ] - [ 0.0090296000000000, 0.0113631200000000, -0.0009157400000000 ] - [ 0.0083206200000000, -0.0125703800000000, 0.0070480500000000 ] - [ 0.0071453900000000, -0.0134844400000000, 0.0065420100000000 ] - [ 0.0071598300000000, -0.0126891300000000, 0.0070615000000000 ] - [ 0.0072126900000000, -0.0129326200000000, 0.0064279400000000 ] - [ 0.0073085000000000, -0.0126191700000000, 0.0060763000000000 ] - [ 0.0070565400000000, -0.0126928900000000, 0.0061068400000000 ] - [ 0.0145335300000000, -0.0291869400000000, -0.0100321600000000 ] - [ 0.0071571700000000, -0.0137126200000000, 0.0065221300000000 ] - [ 0.0071363100000000, -0.0128058900000000, 0.0053353900000000 ] - [ 0.0070442200000000, -0.0130194500000000, 0.0060251800000000 ] - [ 0.0075940000000000, -0.0123162400000000, 0.0062750200000000 ] - [ 0.0070443900000000, -0.0126706000000000, 0.0061703600000000 ] - [ -0.0083236600000000, -0.0140390200000000, -0.0050657700000000 ] - [ -0.0072228500000000, -0.0135839300000000, -0.0059995900000000 ] - [ -0.0071906400000000, -0.0125066500000000, -0.0061473000000000 ] - [ -0.0070503700000000, -0.0126399100000000, -0.0060367400000000 ] - [ -0.0065482800000000, -0.0123804900000000, -0.0066476200000000 ] - [ -0.0074659200000000, -0.0122202700000000, -0.0069315100000000 ] - [ -0.0075276800000000, -0.0140429600000000, -0.0052308000000000 ] - [ -0.0073672700000000, -0.0131588600000000, -0.0061810500000000 ] - [ -0.0072548200000000, -0.0126941000000000, -0.0062800000000000 ] - [ -0.0071687200000000, -0.0128175000000000, -0.0061559300000000 ] - [ -0.0059679000000000, -0.0121967000000000, -0.0056373400000000 ] - [ -0.0075314400000000, -0.0130911300000000, -0.0060837600000000 ] - [ 0.0078573400000000, -0.0014965600000000, -0.0064517600000000 ] - [ -0.0080784600000000, 0.0132941800000000, -0.0073420900000000 ] - [ -0.0071538400000000, 0.0136474900000000, -0.0065478800000000 ] - [ -0.0069535700000000, 0.0134091100000000, -0.0063350100000000 ] - [ -0.0066851100000000, 0.0132690200000000, -0.0058207500000000 ] - [ -0.0080571600000000, 0.0134288200000000, -0.0065660500000000 ] - [ -0.0073839100000000, 0.0124526500000000, -0.0060626400000000 ] - [ -0.0072189300000000, 0.0126134100000000, -0.0059095500000000 ] - [ -0.0072188400000000, 0.0133917500000000, -0.0060451600000000 ] - [ -0.0072277100000000, 0.0133457400000000, -0.0060316800000000 ] - [ -0.0070467400000000, 0.0131602700000000, -0.0060340800000000 ] - [ -0.0073131400000000, 0.0130041800000000, -0.0063296600000000 ] - [ -0.0064831200000000, -0.0396115300000000, 0.0179765300000000 ] - [ 0.0065210400000000, 0.0123906600000000, 0.0061315000000000 ] - [ 0.0055798900000000, 0.0117266200000000, 0.0072920800000000 ] - [ 0.0071883200000000, 0.0132435200000000, 0.0061817900000000 ] - [ 0.0069064100000000, 0.0138048200000000, 0.0062579100000000 ] - [ 0.0070773600000000, 0.0133642400000000, 0.0061177200000000 ] - [ 0.0070857200000000, 0.0124387700000000, 0.0068634800000000 ] - [ 0.0072263400000000, 0.0127518000000000, 0.0061683900000000 ] - [ 0.0071029900000000, 0.0130392700000000, 0.0061178500000000 ] - [ 0.0072385700000000, 0.0130157700000000, 0.0060917400000000 ] - [ 0.0072148900000000, 0.0133796400000000, 0.0063008800000000 ] - [ 0.0071416700000000, 0.0132331900000000, 0.0061458900000000 ] - [ -0.0237429100000000, 0.1557479900000000, -0.0153656800000000 ] - [ -0.0183595400000000, -0.0041749200000000, -0.0170183200000000 ] - [ -0.0165547500000000, -0.0064181100000000, -0.0179556600000000 ] - [ -0.0173984000000000, -0.0047711200000000, -0.0172507700000000 ] - [ -0.0167375700000000, -0.0064674900000000, -0.0177672100000000 ] - [ -0.0172361400000000, -0.0047684100000000, -0.0173933600000000 ] - [ -0.0184927200000000, -0.0041873400000000, -0.0162521200000000 ] - [ -0.0177119000000000, -0.0037401100000000, -0.0173299800000000 ] - [ -0.0173927900000000, -0.0047041000000000, -0.0175134400000000 ] - [ -0.0174469400000000, -0.0043723300000000, -0.0175023500000000 ] - [ -0.0174837800000000, -0.0047012000000000, -0.0174265400000000 ] - [ -0.0174344900000000, -0.0043671700000000, -0.0173168600000000 ] - [ 0.0142553800000000, -0.0053534300000000, 0.0160317600000000 ] - [ 0.0206450800000000, -0.0038580700000000, 0.0189472400000000 ] - [ 0.0225998300000000, -0.0053551700000000, 0.0183103900000000 ] - [ 0.0165748900000000, -0.0038584200000000, 0.0173564800000000 ] - [ 0.0172286400000000, -0.0055322300000000, 0.0176404300000000 ] - [ 0.0172404900000000, -0.0054202600000000, 0.0174202000000000 ] - [ 0.0173450200000000, -0.0040905000000000, 0.0167471400000000 ] - [ 0.0174096400000000, -0.0040235800000000, 0.0174091500000000 ] - [ 0.0176257000000000, -0.0040994700000000, 0.0173488300000000 ] - [ 0.0172690900000000, -0.0040272800000000, 0.0173299200000000 ] - [ 0.0174570400000000, -0.0046941800000000, 0.0173628900000000 ] - [ 0.0175052100000000, -0.0046359600000000, 0.0172485500000000 ] - [ 0.0175831600000000, 0.0051358400000000, 0.0172031700000000 ] - [ 0.0194585800000000, 0.0054238300000000, 0.0161272100000000 ] - [ 0.0176579800000000, 0.0029048100000000, 0.0170840500000000 ] - [ 0.0171044400000000, 0.0036950400000000, 0.0171496400000000 ] - [ 0.0173198700000000, 0.0034970300000000, 0.0174143500000000 ] - [ 0.0173817100000000, 0.0035435300000000, 0.0176222600000000 ] - [ 0.0147755700000000, 0.0022967200000000, 0.0210934700000000 ] - [ 0.0174956700000000, 0.0049247000000000, 0.0171378300000000 ] - [ 0.0173929400000000, 0.0038596100000000, 0.0177494800000000 ] - [ 0.0174465700000000, 0.0040295100000000, 0.0173765300000000 ] - [ 0.0172388600000000, 0.0038056000000000, 0.0172823000000000 ] - [ 0.0177593800000000, 0.0030493400000000, 0.0173822500000000 ] - [ -0.0164791800000000, 0.0041679000000000, -0.0213065000000000 ] - [ -0.0176967900000000, 0.0043892000000000, -0.0178729300000000 ] - [ -0.0176324100000000, 0.0030316500000000, -0.0173557900000000 ] - [ -0.0174150300000000, 0.0037857800000000, -0.0173168800000000 ] - [ -0.0179182400000000, 0.0032244700000000, -0.0147896600000000 ] - [ -0.0167190900000000, 0.0043951400000000, -0.0168085700000000 ] - [ -0.0174539500000000, 0.0041640600000000, -0.0164998200000000 ] - [ -0.0171042400000000, 0.0043856500000000, -0.0170394300000000 ] - [ -0.0176015600000000, 0.0030344400000000, -0.0171824600000000 ] - [ -0.0173176800000000, 0.0037862200000000, -0.0173361100000000 ] - [ -0.0170230300000000, 0.0032360000000000, -0.0222829900000000 ] - [ -0.0174258200000000, 0.0043962500000000, -0.0176494900000000 ]- atom: 97 displacement: [ -0.0042265356520470, 0.0000000000000000, 0.0090629132392391 ] forces: - [ 0.0005706600000000, -0.0192395200000000, 0.0113441800000000 ] - [ 0.0088888000000000, -0.0116342900000000, -0.0003363100000000 ] - [ 0.0090346900000000, -0.0113377600000000, -0.0009964600000000 ] - [ 0.0090487600000000, -0.0113927100000000, -0.0009334300000000 ] - [ 0.0105353500000000, -0.0113503300000000, -0.0012718200000000 ] - [ 0.0089874000000000, -0.0111249300000000, -0.0006082400000000 ] - [ 0.0091878900000000, -0.0116868800000000, -0.0014152100000000 ] - [ 0.0088169800000000, -0.0111231900000000, -0.0015158900000000 ] - [ 0.0089887800000000, -0.0113814900000000, -0.0011913100000000 ] - [ 0.0089867500000000, -0.0112610800000000, -0.0011042800000000 ] - [ 0.0089791300000000, -0.0108407200000000, -0.0015253600000000 ] - [ 0.0091516200000000, -0.0113859100000000, -0.0013753500000000 ] - [ -0.0091918800000000, -0.0092100200000000, -0.0010318600000000 ] - [ -0.0095908300000000, -0.0135842800000000, 0.0082760900000000 ] - [ -0.0086572900000000, -0.0113980100000000, 0.0012051800000000 ] - [ -0.0093378400000000, -0.0112109800000000, 0.0010611200000000 ] - [ -0.0090611200000000, -0.0112431600000000, 0.0011205100000000 ] - [ -0.0088541700000000, -0.0113384400000000, 0.0012408300000000 ] - [ -0.0085096400000000, -0.0122148600000000, -0.0012691100000000 ] - [ -0.0087628800000000, -0.0113430500000000, 0.0003047400000000 ] - [ -0.0091035200000000, -0.0109900400000000, 0.0009311900000000 ] - [ -0.0088916300000000, -0.0112543900000000, 0.0009427900000000 ] - [ -0.0090370700000000, -0.0113590700000000, 0.0010421500000000 ] - [ -0.0089376100000000, -0.0112461100000000, 0.0009720400000000 ] - [ -0.0088822200000000, 0.0112390800000000, 0.0005342100000000 ] - [ -0.0098450700000000, 0.0123889600000000, -0.0002469900000000 ] - [ -0.0092124600000000, 0.0114625600000000, 0.0007700300000000 ] - [ -0.0091169500000000, 0.0112290100000000, 0.0006518200000000 ] - [ -0.0089823600000000, 0.0113316800000000, 0.0010061200000000 ] - [ -0.0090132100000000, 0.0113391700000000, 0.0010111700000000 ] - [ -0.0095114000000000, 0.0100247000000000, 0.0017248000000000 ] - [ -0.0077077600000000, 0.0110019400000000, 0.0011137800000000 ] - [ -0.0089968900000000, 0.0114274800000000, 0.0017758800000000 ] - [ -0.0084794100000000, 0.0114842500000000, 0.0014301100000000 ] - [ -0.0090032200000000, 0.0112340500000000, 0.0011136200000000 ] - [ -0.0090113200000000, 0.0112255900000000, 0.0011198000000000 ] - [ 0.0064291800000000, 0.0181998100000000, 0.0381155400000000 ] - [ 0.0092263400000000, 0.0113172100000000, -0.0012386600000000 ] - [ 0.0088546400000000, 0.0112479400000000, -0.0011062800000000 ] - [ 0.0090249600000000, 0.0112823700000000, -0.0010989200000000 ] - [ 0.0088441800000000, 0.0120843900000000, -0.0007307900000000 ] - [ 0.0090849500000000, 0.0113713900000000, -0.0010269000000000 ] - [ 0.0116085700000000, 0.0132552100000000, 0.0009003600000000 ] - [ 0.0076532000000000, 0.0119845200000000, -0.0021636100000000 ] - [ 0.0090001500000000, 0.0112904700000000, -0.0010612800000000 ] - [ 0.0090250500000000, 0.0113129900000000, -0.0009918900000000 ] - [ 0.0092018200000000, 0.0107464000000000, -0.0014973700000000 ] - [ 0.0089314300000000, 0.0112672400000000, -0.0010678200000000 ] - [ 0.0091258300000000, -0.0113593300000000, 0.0071768500000000 ] - [ 0.0063163900000000, -0.0130476900000000, 0.0050925800000000 ] - [ 0.0072856600000000, -0.0133475800000000, 0.0058074200000000 ] - [ 0.0071053000000000, -0.0129615400000000, 0.0061259100000000 ] - [ 0.0071745000000000, -0.0129960800000000, 0.0061517000000000 ] - [ 0.0071838100000000, -0.0130420000000000, 0.0060516000000000 ] - [ -0.0137830800000000, 0.0045534300000000, 0.0547934800000000 ] - [ 0.0075120600000000, -0.0130636500000000, 0.0068664400000000 ] - [ 0.0070497700000000, -0.0120278700000000, 0.0065209300000000 ] - [ 0.0071380200000000, -0.0128525900000000, 0.0063016400000000 ] - [ 0.0071380300000000, -0.0130561600000000, 0.0060369500000000 ] - [ 0.0071330000000000, -0.0129638800000000, 0.0062487400000000 ] - [ -0.0064344000000000, -0.0134652200000000, -0.0066884200000000 ] - [ -0.0076704100000000, -0.0135193000000000, -0.0058017300000000 ] - [ -0.0071056900000000, -0.0131317000000000, -0.0062528500000000 ] - [ -0.0072195400000000, -0.0130568700000000, -0.0061863100000000 ] - [ -0.0065844700000000, -0.0123536600000000, -0.0061095200000000 ] - [ -0.0073566900000000, -0.0127601700000000, -0.0056238500000000 ] - [ -0.0082255700000000, -0.0128839900000000, -0.0056035600000000 ] - [ -0.0066336600000000, -0.0128083600000000, -0.0062760000000000 ] - [ -0.0071708000000000, -0.0129673600000000, -0.0061557800000000 ] - [ -0.0071297700000000, -0.0130196200000000, -0.0061594000000000 ] - [ -0.0075801100000000, -0.0134821400000000, -0.0062290200000000 ] - [ -0.0069541300000000, -0.0130202600000000, -0.0063328700000000 ] - [ -0.0299041800000000, 0.0201170300000000, -0.0012924200000000 ] - [ -0.0074936300000000, 0.0143046900000000, -0.0068994400000000 ] - [ -0.0073934300000000, 0.0130327700000000, -0.0058132400000000 ] - [ -0.0071655400000000, 0.0130079000000000, -0.0060209200000000 ] - [ -0.0075531300000000, 0.0133513700000000, -0.0060084600000000 ] - [ -0.0070631700000000, 0.0129074100000000, -0.0060946800000000 ] - [ -0.0070332000000000, 0.0130754400000000, -0.0071196200000000 ] - [ -0.0073046400000000, 0.0125723500000000, -0.0075144100000000 ] - [ -0.0071332900000000, 0.0130286400000000, -0.0062534600000000 ] - [ -0.0072264300000000, 0.0130333300000000, -0.0062826900000000 ] - [ -0.0071319900000000, 0.0129158700000000, -0.0066168600000000 ] - [ -0.0073372400000000, 0.0130406800000000, -0.0063336100000000 ] - [ -0.0030244500000000, -0.0020242500000000, 0.0214563700000000 ] - [ 0.0077265300000000, 0.0130845900000000, 0.0061778000000000 ] - [ 0.0084393600000000, 0.0129676900000000, 0.0057111800000000 ] - [ 0.0075249800000000, 0.0129015500000000, 0.0059642500000000 ] - [ 0.0072514200000000, 0.0129119700000000, 0.0062383800000000 ] - [ 0.0072347700000000, 0.0130237200000000, 0.0062242800000000 ] - [ 0.0077382700000000, 0.0125658100000000, 0.0055990800000000 ] - [ 0.0066629300000000, 0.0130732900000000, 0.0059616300000000 ] - [ 0.0071959300000000, 0.0134722800000000, 0.0057765000000000 ] - [ 0.0070200400000000, 0.0130930900000000, 0.0060665000000000 ] - [ 0.0071453900000000, 0.0129555400000000, 0.0060542500000000 ] - [ 0.0071301100000000, 0.0129737000000000, 0.0060891100000000 ] - [ 0.0467421500000000, -0.0086464400000000, -0.1646089900000000 ] - [ -0.0204013100000000, -0.0049265600000000, -0.0172835600000000 ] - [ -0.0175847900000000, -0.0035758000000000, -0.0174242800000000 ] - [ -0.0175881500000000, -0.0041085700000000, -0.0174667000000000 ] - [ -0.0179741700000000, -0.0032951700000000, -0.0176027200000000 ] - [ -0.0176171500000000, -0.0043094700000000, -0.0174802000000000 ] - [ -0.0202360000000000, -0.0056733500000000, -0.0142159000000000 ] - [ -0.0147620900000000, -0.0043674500000000, -0.0130634300000000 ] - [ -0.0176345000000000, -0.0041793600000000, -0.0169199500000000 ] - [ -0.0174155500000000, -0.0042610800000000, -0.0172816900000000 ] - [ -0.0175752000000000, -0.0040704700000000, -0.0168919500000000 ] - [ -0.0173941100000000, -0.0040974700000000, -0.0172710000000000 ] - [ 0.0164210100000000, -0.0055720600000000, 0.0166988500000000 ] - [ 0.0161809800000000, -0.0038600700000000, 0.0166970500000000 ] - [ 0.0151863100000000, -0.0040775400000000, 0.0161176400000000 ] - [ 0.0166833900000000, -0.0041330400000000, 0.0169312900000000 ] - [ 0.0175802000000000, -0.0038840100000000, 0.0171164900000000 ] - [ 0.0174100400000000, -0.0040873100000000, 0.0173233700000000 ] - [ 0.0176318600000000, -0.0043160400000000, 0.0185893600000000 ] - [ 0.0178509600000000, -0.0041820800000000, 0.0177254400000000 ] - [ 0.0176774200000000, -0.0047400300000000, 0.0186082400000000 ] - [ 0.0174168600000000, -0.0041642100000000, 0.0175222000000000 ] - [ 0.0174079700000000, -0.0042302600000000, 0.0174262100000000 ] - [ 0.0174113200000000, -0.0043551500000000, 0.0174181800000000 ] - [ 0.0161197800000000, 0.0044188500000000, 0.0190706300000000 ] - [ 0.0198098200000000, 0.0061941200000000, 0.0229317500000000 ] - [ 0.0173143900000000, 0.0045697400000000, 0.0177301700000000 ] - [ 0.0175809400000000, 0.0042761400000000, 0.0175334200000000 ] - [ 0.0173156000000000, 0.0041263900000000, 0.0174913300000000 ] - [ 0.0175478000000000, 0.0039637500000000, 0.0173410200000000 ] - [ 0.0249238000000000, -0.0002748700000000, 0.0249301600000000 ] - [ 0.0166513300000000, 0.0044550900000000, 0.0170470800000000 ] - [ 0.0175685100000000, 0.0038526900000000, 0.0171086500000000 ] - [ 0.0172770400000000, 0.0042138100000000, 0.0172957800000000 ] - [ 0.0175210800000000, 0.0042101500000000, 0.0173934700000000 ] - [ 0.0174074800000000, 0.0043373300000000, 0.0172167400000000 ] - [ -0.0181232700000000, 0.0050270000000000, -0.0156265700000000 ] - [ -0.0174058800000000, 0.0043784500000000, -0.0173919700000000 ] - [ -0.0174000400000000, 0.0044574100000000, -0.0173382800000000 ] - [ -0.0174357400000000, 0.0041960500000000, -0.0173419300000000 ] - [ -0.0198203700000000, -0.0004230500000000, -0.0158329400000000 ] - [ -0.0172234400000000, 0.0039559700000000, -0.0175315000000000 ] - [ -0.0181489500000000, 0.0002438700000000, -0.0156396800000000 ] - [ -0.0169841100000000, 0.0038610000000000, -0.0171965900000000 ] - [ -0.0174461200000000, 0.0043091500000000, -0.0173600600000000 ] - [ -0.0174644800000000, 0.0042534700000000, -0.0173544300000000 ] - [ -0.0186744500000000, 0.0067418500000000, -0.0152962900000000 ] - [ -0.0173111500000000, 0.0044185200000000, -0.0175712800000000 ]- atom: 97 displacement: [ 0.0042265356520470, 0.0000000000000000, -0.0090629132392391 ] forces: - [ 0.0175679200000000, -0.0031460100000000, -0.0134798400000000 ] - [ 0.0091067000000000, -0.0109584100000000, -0.0017659100000000 ] - [ 0.0089556900000000, -0.0112421800000000, -0.0011065700000000 ] - [ 0.0089424200000000, -0.0111924200000000, -0.0011699800000000 ] - [ 0.0074949900000000, -0.0112551200000000, -0.0008489500000000 ] - [ 0.0090005900000000, -0.0114613900000000, -0.0014974200000000 ] - [ 0.0088048000000000, -0.0109160100000000, -0.0006850800000000 ] - [ 0.0091768000000000, -0.0114595600000000, -0.0005908500000000 ] - [ 0.0090036000000000, -0.0112057300000000, -0.0009094600000000 ] - [ 0.0090054600000000, -0.0113232500000000, -0.0009986000000000 ] - [ 0.0090129500000000, -0.0117441600000000, -0.0005728300000000 ] - [ 0.0088428300000000, -0.0111978600000000, -0.0007286600000000 ] - [ -0.0088275300000000, -0.0133654400000000, 0.0031334400000000 ] - [ -0.0084023500000000, -0.0090491300000000, -0.0063044200000000 ] - [ -0.0093413800000000, -0.0111856500000000, 0.0008977600000000 ] - [ -0.0086487700000000, -0.0113749600000000, 0.0010456300000000 ] - [ -0.0089316400000000, -0.0113408500000000, 0.0009829100000000 ] - [ -0.0091350500000000, -0.0112458600000000, 0.0008646200000000 ] - [ -0.0094474300000000, -0.0103910800000000, 0.0033464900000000 ] - [ -0.0092438100000000, -0.0112363200000000, 0.0017913700000000 ] - [ -0.0088888700000000, -0.0115975100000000, 0.0011727200000000 ] - [ -0.0091018000000000, -0.0113333100000000, 0.0011606000000000 ] - [ -0.0089546200000000, -0.0112264600000000, 0.0010594800000000 ] - [ -0.0090528700000000, -0.0113379100000000, 0.0011300200000000 ] - [ -0.0091096400000000, 0.0113527000000000, 0.0015677500000000 ] - [ -0.0081643900000000, 0.0101984200000000, 0.0023576400000000 ] - [ -0.0087828000000000, 0.0111194900000000, 0.0013324800000000 ] - [ -0.0088797800000000, 0.0113564200000000, 0.0014541500000000 ] - [ -0.0090101100000000, 0.0112535600000000, 0.0010974300000000 ] - [ -0.0089779800000000, 0.0112461100000000, 0.0010923500000000 ] - [ -0.0084790100000000, 0.0125705200000000, 0.0003791200000000 ] - [ -0.0102755300000000, 0.0115926200000000, 0.0009885200000000 ] - [ -0.0089962600000000, 0.0111610500000000, 0.0003238200000000 ] - [ -0.0095141100000000, 0.0110953800000000, 0.0006697600000000 ] - [ -0.0089894400000000, 0.0113505500000000, 0.0009887900000000 ] - [ -0.0089800800000000, 0.0113587600000000, 0.0009826200000000 ] - [ 0.0112395200000000, 0.0050858200000000, -0.0382931800000000 ] - [ 0.0087691200000000, 0.0112706500000000, -0.0008713700000000 ] - [ 0.0091390000000000, 0.0113395100000000, -0.0009951400000000 ] - [ 0.0089656400000000, 0.0113027300000000, -0.0010035700000000 ] - [ 0.0091475700000000, 0.0105037200000000, -0.0013650400000000 ] - [ 0.0089084300000000, 0.0112158600000000, -0.0010745700000000 ] - [ 0.0064117400000000, 0.0093189400000000, -0.0030623500000000 ] - [ 0.0103219100000000, 0.0106100700000000, 0.0000617900000000 ] - [ 0.0089924500000000, 0.0112940600000000, -0.0010411500000000 ] - [ 0.0089665500000000, 0.0112701900000000, -0.0011107600000000 ] - [ 0.0087952300000000, 0.0118304400000000, -0.0006128300000000 ] - [ 0.0090601300000000, 0.0113179200000000, -0.0010359800000000 ] - [ 0.0052245900000000, -0.0146470800000000, 0.0052268100000000 ] - [ 0.0080363400000000, -0.0129800500000000, 0.0072373400000000 ] - [ 0.0070616100000000, -0.0126721100000000, 0.0065328700000000 ] - [ 0.0072458800000000, -0.0130675300000000, 0.0062040500000000 ] - [ 0.0071740200000000, -0.0130297000000000, 0.0061789800000000 ] - [ 0.0071645900000000, -0.0129852000000000, 0.0062791900000000 ] - [ 0.0287254600000000, -0.0317331800000000, -0.0452175500000000 ] - [ 0.0068334700000000, -0.0129596500000000, 0.0054684200000000 ] - [ 0.0072965700000000, -0.0139994200000000, 0.0057989200000000 ] - [ 0.0072112400000000, -0.0131735900000000, 0.0060282000000000 ] - [ 0.0072105700000000, -0.0129726500000000, 0.0062886500000000 ] - [ 0.0072162000000000, -0.0130636600000000, 0.0060796800000000 ] - [ -0.0079039400000000, -0.0125773100000000, -0.0056458800000000 ] - [ -0.0066675000000000, -0.0125012600000000, -0.0065207700000000 ] - [ -0.0072446200000000, -0.0128958900000000, -0.0060763200000000 ] - [ -0.0071286000000000, -0.0129708900000000, -0.0061421400000000 ] - [ -0.0077641500000000, -0.0136696600000000, -0.0062178100000000 ] - [ -0.0069910300000000, -0.0132667000000000, -0.0067033700000000 ] - [ -0.0061305600000000, -0.0131443700000000, -0.0067194900000000 ] - [ -0.0077240500000000, -0.0132254200000000, -0.0060563000000000 ] - [ -0.0071781100000000, -0.0130606000000000, -0.0061753200000000 ] - [ -0.0072186100000000, -0.0130075100000000, -0.0061709200000000 ] - [ -0.0067717100000000, -0.0125465100000000, -0.0061027000000000 ] - [ -0.0073934900000000, -0.0130051700000000, -0.0059980600000000 ] - [ 0.0153617300000000, 0.0059685800000000, -0.0111654200000000 ] - [ -0.0068586400000000, 0.0117193700000000, -0.0054330400000000 ] - [ -0.0069562900000000, 0.0129961800000000, -0.0065195400000000 ] - [ -0.0071806700000000, 0.0130190400000000, -0.0063092700000000 ] - [ -0.0068020200000000, 0.0126787800000000, -0.0063241900000000 ] - [ -0.0072837700000000, 0.0131162500000000, -0.0062364500000000 ] - [ -0.0072989100000000, 0.0129424900000000, -0.0052110200000000 ] - [ -0.0070484200000000, 0.0134472900000000, -0.0048290600000000 ] - [ -0.0072162700000000, 0.0129985600000000, -0.0060757200000000 ] - [ -0.0071220100000000, 0.0129940300000000, -0.0060469900000000 ] - [ -0.0072157900000000, 0.0131098200000000, -0.0057135900000000 ] - [ -0.0070140900000000, 0.0129867800000000, -0.0059950700000000 ] - [ 0.0172654900000000, 0.0277441500000000, -0.0090251200000000 ] - [ 0.0066313500000000, 0.0129472800000000, 0.0061541200000000 ] - [ 0.0058681500000000, 0.0130709100000000, 0.0066476700000000 ] - [ 0.0068219500000000, 0.0131272700000000, 0.0063704900000000 ] - [ 0.0070989500000000, 0.0131097600000000, 0.0060907300000000 ] - [ 0.0071149300000000, 0.0130037500000000, 0.0061062400000000 ] - [ 0.0066165200000000, 0.0134775000000000, 0.0067264500000000 ] - [ 0.0076792700000000, 0.0129559700000000, 0.0063643200000000 ] - [ 0.0071572300000000, 0.0125556100000000, 0.0065548400000000 ] - [ 0.0073300300000000, 0.0129323800000000, 0.0062639100000000 ] - [ 0.0072023700000000, 0.0130737100000000, 0.0062750200000000 ] - [ 0.0072190600000000, 0.0130536600000000, 0.0062408500000000 ] - [ -0.0815611700000000, 0.0006948300000000, 0.1311135800000000 ] - [ -0.0144745600000000, -0.0035355900000000, -0.0174348700000000 ] - [ -0.0172837900000000, -0.0048901900000000, -0.0172945600000000 ] - [ -0.0172829000000000, -0.0043415200000000, -0.0172471100000000 ] - [ -0.0169013700000000, -0.0051426100000000, -0.0171128900000000 ] - [ -0.0172560600000000, -0.0041434500000000, -0.0172345500000000 ] - [ -0.0146552100000000, -0.0027811200000000, -0.0205009500000000 ] - [ -0.0200694300000000, -0.0040880100000000, -0.0215999700000000 ] - [ -0.0172392400000000, -0.0042688000000000, -0.0177952300000000 ] - [ -0.0174573800000000, -0.0041899000000000, -0.0174338600000000 ] - [ -0.0172964200000000, -0.0043866900000000, -0.0178215500000000 ] - [ -0.0174778300000000, -0.0043555800000000, -0.0174427700000000 ] - [ 0.0184497100000000, -0.0028965000000000, 0.0180216000000000 ] - [ 0.0186776000000000, -0.0045902100000000, 0.0180183500000000 ] - [ 0.0196961800000000, -0.0043562900000000, 0.0185975200000000 ] - [ 0.0181872900000000, -0.0043111500000000, 0.0177896700000000 ] - [ 0.0172940500000000, -0.0045676400000000, 0.0175988000000000 ] - [ 0.0174610300000000, -0.0043673000000000, 0.0173905900000000 ] - [ 0.0172393900000000, -0.0041416200000000, 0.0161284800000000 ] - [ 0.0170276100000000, -0.0042728300000000, 0.0169896400000000 ] - [ 0.0171881700000000, -0.0037097800000000, 0.0161022900000000 ] - [ 0.0174587500000000, -0.0042808700000000, 0.0171900900000000 ] - [ 0.0174636000000000, -0.0042237200000000, 0.0172897200000000 ] - [ 0.0174594700000000, -0.0040983500000000, 0.0172961500000000 ] - [ 0.0187526600000000, 0.0040289600000000, 0.0156392700000000 ] - [ 0.0150345000000000, 0.0022955100000000, 0.0117813700000000 ] - [ 0.0175589500000000, 0.0038847300000000, 0.0169838900000000 ] - [ 0.0172884300000000, 0.0041767000000000, 0.0171792100000000 ] - [ 0.0175562000000000, 0.0043239400000000, 0.0172221800000000 ] - [ 0.0173261000000000, 0.0044839800000000, 0.0173726800000000 ] - [ 0.0097637900000000, 0.0087381400000000, 0.0095364800000000 ] - [ 0.0182359700000000, 0.0039983400000000, 0.0176667300000000 ] - [ 0.0173017000000000, 0.0046036000000000, 0.0176106300000000 ] - [ 0.0175948000000000, 0.0042426600000000, 0.0174193800000000 ] - [ 0.0173534200000000, 0.0042405100000000, 0.0173234200000000 ] - [ 0.0174664600000000, 0.0041131000000000, 0.0174983700000000 ] - [ -0.0167432100000000, 0.0034402600000000, -0.0191014700000000 ] - [ -0.0174614200000000, 0.0040788200000000, -0.0173166900000000 ] - [ -0.0174730500000000, 0.0039963900000000, -0.0173770100000000 ] - [ -0.0174360400000000, 0.0042579100000000, -0.0173732600000000 ] - [ -0.0150666900000000, 0.0088000000000000, -0.0188721300000000 ] - [ -0.0176504400000000, 0.0044911500000000, -0.0171834700000000 ] - [ -0.0167206800000000, 0.0082598100000000, -0.0190914400000000 ] - [ -0.0178812000000000, 0.0045857200000000, -0.0175139300000000 ] - [ -0.0174257400000000, 0.0041433800000000, -0.0173553200000000 ] - [ -0.0174071800000000, 0.0042010400000000, -0.0173590400000000 ] - [ -0.0162055600000000, 0.0017264600000000, -0.0194012800000000 ] - [ -0.0175603600000000, 0.0040308500000000, -0.0171401500000000 ]