# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a3dd44a0-56d0-47e6-ab3c-e24b94c19de5/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 CsCd(NO2)3 / R3 (146) / materials id 6628](https://mdr.nims.go.jp/datasets/bc180139-bc5b-4f84-a3b3-985908d6a885) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R3" number: 146 Hall_symbol: "R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.856653420000004, 2.226639899999998, 3.122240623333330 ] # a - [ -3.856653439999996, 2.226639889999998, 3.122240623333330 ] # b - [ 0.000000020000004, -4.453279790000003, 3.122240623333330 ] # c points: - symbol: N # 1 coordinates: [ 0.959903010000000, 0.528499210000003, 0.929748710000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.929748710000000, 0.959903010000002, 0.528499210000000 ] mass: 14.006700 - symbol: N # 3 coordinates: [ 0.528499210000000, 0.929748710000003, 0.959903010000000 ] mass: 14.006700 - symbol: O # 4 coordinates: [ 0.932865940000000, 0.757416780000002, 0.419754950000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.757416780000000, 0.419754950000002, 0.932865940000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.394146050000000, 0.934011540000001, 0.148820860000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.934011540000000, 0.148820860000001, 0.394146050000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.148820860000000, 0.394146050000001, 0.934011540000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.419754950000000, 0.932865940000002, 0.757416780000000 ] mass: 15.999400 - symbol: Cd # 10 coordinates: [ 0.979666850000000, 0.979666850000003, 0.979666850000000 ] mass: 112.411000 - symbol: Cs # 11 coordinates: [ 0.444632710000000, 0.444632710000001, 0.444632710000000 ] mass: 132.905452 reciprocal_lattice: # without 2pi - [ 0.129646080131640, 0.074851199934656, 0.106760936630651 ] # a* - [ -0.129646080325723, 0.074851198770157, 0.106760936630651 ] # b* - [ 0.000000000194083, -0.149702398704813, 0.106760936630651 ] # c*unit_cell: lattice: - [ 7.713306860000000, 0.000000010000000, 0.000000000000000 ] # a - [ -3.856653460000000, 6.679919680000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.366721869999999 ] # c points: - symbol: N # 1 coordinates: [ 0.153852700000000, 0.876301600000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.123698400000000, 0.277551100000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 3 coordinates: [ 0.722448900000000, 0.846147300000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 4 coordinates: [ 0.820519360000000, 0.209634930000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.790365070000000, 0.610884430000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 6 coordinates: [ 0.389115570000000, 0.179480640000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 7 coordinates: [ 0.487186030000000, 0.542968270000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 8 coordinates: [ 0.457031730000000, 0.944217760000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 9 coordinates: [ 0.055782240000000, 0.512813970000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.229520050000000, 0.283590940000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.054070890000000, 0.770479950000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.901819900000000, 0.343505290000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.441685390000000, 0.098180100000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.656494710000000, 0.558314610000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.716409060000000, 0.945929110000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.896186720000000, 0.616924280000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 17 coordinates: [ 0.720737560000000, 0.103813280000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 18 coordinates: [ 0.568486570000000, 0.676838620000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 19 coordinates: [ 0.108352050000000, 0.431513430000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.323161380000000, 0.891647950000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 21 coordinates: [ 0.383075720000000, 0.279262440000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 22 coordinates: [ 0.562853380000000, 0.950257610000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 23 coordinates: [ 0.387404230000000, 0.437146620000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 24 coordinates: [ 0.235153240000000, 0.010171960000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 25 coordinates: [ 0.775018720000000, 0.764846760000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.989828040000000, 0.224981280000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.049742390000000, 0.612595770000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 15 - symbol: Cd # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.979666850000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.313000180000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.646333520000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cs # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444632710000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.777966040000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.111299370000000 ] mass: 132.905452 reduced_to: 31supercell: lattice: - [ 15.426613720000001, 0.000000020000000, 0.000000000000000 ] # a - [ -7.713306920000000, 13.359839360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.366721869999999 ] # c points: - symbol: N # 1 coordinates: [ 0.076926350000000, 0.438150800000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.576926350000000, 0.438150800000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.076926350000000, 0.938150800000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.576926350000000, 0.938150800000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.061849200000000, 0.138775550000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 6 coordinates: [ 0.561849200000000, 0.138775550000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 7 coordinates: [ 0.061849200000000, 0.638775550000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 8 coordinates: [ 0.561849200000000, 0.638775550000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 9 coordinates: [ 0.361224450000000, 0.423073650000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 10 coordinates: [ 0.861224450000000, 0.423073650000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 11 coordinates: [ 0.361224450000000, 0.923073650000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 12 coordinates: [ 0.861224450000000, 0.923073650000000, 0.806050310000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 13 coordinates: [ 0.410259680000000, 0.104817465000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 14 coordinates: [ 0.910259680000000, 0.104817465000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 15 coordinates: [ 0.410259680000000, 0.604817465000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 16 coordinates: [ 0.910259680000000, 0.604817465000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 17 coordinates: [ 0.395182535000000, 0.305442215000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 18 coordinates: [ 0.895182535000000, 0.305442215000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 19 coordinates: [ 0.395182535000000, 0.805442215000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 20 coordinates: [ 0.895182535000000, 0.805442215000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 21 coordinates: [ 0.194557785000000, 0.089740320000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 22 coordinates: [ 0.694557785000000, 0.089740320000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 23 coordinates: [ 0.194557785000000, 0.589740320000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 24 coordinates: [ 0.694557785000000, 0.589740320000000, 0.139383650000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 25 coordinates: [ 0.243593015000000, 0.271484135000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 26 coordinates: [ 0.743593015000000, 0.271484135000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 27 coordinates: [ 0.243593015000000, 0.771484135000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 28 coordinates: [ 0.743593015000000, 0.771484135000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 29 coordinates: [ 0.228515865000000, 0.472108880000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 30 coordinates: [ 0.728515865000000, 0.472108880000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 31 coordinates: [ 0.228515865000000, 0.972108880000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 32 coordinates: [ 0.728515865000000, 0.972108880000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 33 coordinates: [ 0.027891120000000, 0.256406985000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 34 coordinates: [ 0.527891120000000, 0.256406985000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 35 coordinates: [ 0.027891120000000, 0.756406985000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 36 coordinates: [ 0.527891120000000, 0.756406985000000, 0.472716980000000 ] mass: 14.006700 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.114760025000000, 0.141795470000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.614760025000000, 0.141795470000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.114760025000000, 0.641795470000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.614760025000000, 0.641795470000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.027035445000000, 0.385239975000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.527035445000000, 0.385239975000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.027035445000000, 0.885239975000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.527035445000000, 0.885239975000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.450909950000000, 0.171752645000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.950909950000000, 0.171752645000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.450909950000000, 0.671752645000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.950909950000000, 0.671752645000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.220842695000000, 0.049090050000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.720842695000000, 0.049090050000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.220842695000000, 0.549090050000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.720842695000000, 0.549090050000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.328247355000000, 0.279157305000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.828247355000000, 0.279157305000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.328247355000000, 0.779157305000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.828247355000000, 0.779157305000000, 0.492326150000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.358204530000000, 0.472964555000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.858204530000000, 0.472964555000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.358204530000000, 0.972964555000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.858204530000000, 0.972964555000000, 0.703345890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.448093360000000, 0.308462140000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.948093360000000, 0.308462140000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 63 coordinates: [ 0.448093360000000, 0.808462140000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 64 coordinates: [ 0.948093360000000, 0.808462140000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 65 coordinates: [ 0.360368780000000, 0.051906640000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.860368780000000, 0.051906640000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 67 coordinates: [ 0.360368780000000, 0.551906640000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 68 coordinates: [ 0.860368780000000, 0.551906640000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 69 coordinates: [ 0.284243285000000, 0.338419310000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.784243285000000, 0.338419310000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 71 coordinates: [ 0.284243285000000, 0.838419310000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 72 coordinates: [ 0.784243285000000, 0.838419310000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 73 coordinates: [ 0.054176025000000, 0.215756715000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.554176025000000, 0.215756715000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.054176025000000, 0.715756715000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.554176025000000, 0.715756715000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.161580690000000, 0.445823975000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.661580690000000, 0.445823975000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.161580690000000, 0.945823975000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 80 coordinates: [ 0.661580690000000, 0.945823975000000, 0.825659480000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 81 coordinates: [ 0.191537860000000, 0.139631220000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.691537860000000, 0.139631220000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 83 coordinates: [ 0.191537860000000, 0.639631220000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 84 coordinates: [ 0.691537860000000, 0.639631220000000, 0.036679230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 85 coordinates: [ 0.281426690000000, 0.475128805000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.781426690000000, 0.475128805000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.281426690000000, 0.975128805000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 88 coordinates: [ 0.781426690000000, 0.975128805000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 89 coordinates: [ 0.193702115000000, 0.218573310000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.693702115000000, 0.218573310000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 91 coordinates: [ 0.193702115000000, 0.718573310000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 92 coordinates: [ 0.693702115000000, 0.718573310000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 93 coordinates: [ 0.117576620000000, 0.005085980000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.617576620000000, 0.005085980000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 95 coordinates: [ 0.117576620000000, 0.505085980000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 96 coordinates: [ 0.617576620000000, 0.505085980000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 97 coordinates: [ 0.387509360000000, 0.382423380000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.887509360000000, 0.382423380000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.387509360000000, 0.882423380000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.887509360000000, 0.882423380000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.494914020000000, 0.112490640000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.994914020000000, 0.112490640000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.494914020000000, 0.612490640000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.994914020000000, 0.612490640000000, 0.158992810000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.024871195000000, 0.306297885000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.524871195000000, 0.306297885000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.024871195000000, 0.806297885000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.524871195000000, 0.806297885000000, 0.370012560000000 ] mass: 15.999400 reduced_to: 57 - symbol: Cd # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.979666850000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.979666850000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.979666850000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.979666850000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.313000180000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.313000180000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.313000180000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 116 coordinates: [ 0.833333335000000, 0.666666665000000, 0.313000180000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 117 coordinates: [ 0.166666665000000, 0.333333335000000, 0.646333520000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 118 coordinates: [ 0.666666665000000, 0.333333335000000, 0.646333520000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 119 coordinates: [ 0.166666665000000, 0.833333335000000, 0.646333520000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 120 coordinates: [ 0.666666665000000, 0.833333335000000, 0.646333520000000 ] mass: 112.411000 reduced_to: 109 - symbol: Cs # 121 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444632710000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 122 coordinates: [ 0.500000000000000, 0.000000000000000, 0.444632710000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 123 coordinates: [ 0.000000000000000, 0.500000000000000, 0.444632710000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 124 coordinates: [ 0.500000000000000, 0.500000000000000, 0.444632710000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 125 coordinates: [ 0.333333335000000, 0.166666665000000, 0.777966040000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 126 coordinates: [ 0.833333335000000, 0.166666665000000, 0.777966040000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 127 coordinates: [ 0.333333335000000, 0.666666665000000, 0.777966040000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 128 coordinates: [ 0.833333335000000, 0.666666665000000, 0.777966040000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 129 coordinates: [ 0.166666665000000, 0.333333335000000, 0.111299370000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 130 coordinates: [ 0.666666665000000, 0.333333335000000, 0.111299370000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 131 coordinates: [ 0.166666665000000, 0.833333335000000, 0.111299370000000 ] mass: 132.905452 reduced_to: 121 - symbol: Cs # 132 coordinates: [ 0.666666665000000, 0.833333335000000, 0.111299370000000 ] mass: 132.905452 reduced_to: 121displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.5686396100000000, -0.0129110500000000, -0.0276030100000000 ] - [ -0.0007617600000000, -0.0003895300000000, 0.0025724900000000 ] - [ -0.0019406500000000, -0.0009857400000000, 0.0017498100000000 ] - [ -0.0003743000000000, -0.0002322500000000, 0.0028174700000000 ] - [ 0.0011596000000000, -0.0019905400000000, 0.0015019200000000 ] - [ 0.0020187500000000, -0.0012577600000000, 0.0015887400000000 ] - [ 0.0033586400000000, -0.0023762600000000, 0.0007281600000000 ] - [ 0.0021494800000000, -0.0015823100000000, 0.0013893400000000 ] - [ 0.0016555400000000, 0.0017102400000000, 0.0024925800000000 ] - [ 0.0016270600000000, 0.0033632100000000, 0.0024051100000000 ] - [ 0.0004227900000000, 0.0025797700000000, 0.0016240600000000 ] - [ 0.0000677100000000, 0.0023841400000000, 0.0013482100000000 ] - [ -0.0012039700000000, -0.0005937300000000, 0.0020180700000000 ] - [ -0.0026183600000000, -0.0010563600000000, 0.0013804100000000 ] - [ 0.0002372600000000, 0.0009246200000000, 0.0041840000000000 ] - [ -0.0016855800000000, -0.0006511800000000, 0.0020544700000000 ] - [ 0.0024566900000000, -0.0017426100000000, 0.0012583000000000 ] - [ 0.0014144400000000, -0.0022287400000000, 0.0025319100000000 ] - [ 0.0006879300000000, -0.0005732500000000, 0.0026043600000000 ] - [ 0.0015416500000000, -0.0010905700000000, 0.0017483200000000 ] - [ 0.0001354900000000, 0.0010387200000000, 0.0025340600000000 ] - [ 0.0002253800000000, 0.0027512500000000, 0.0011672600000000 ] - [ 0.0008179800000000, 0.0012163500000000, 0.0031795700000000 ] - [ 0.0001630400000000, 0.0018330600000000, 0.0016941800000000 ] - [ -0.0016944000000000, -0.0007978600000000, 0.0019797300000000 ] - [ 0.0002356800000000, -0.0001092300000000, 0.0028179400000000 ] - [ -0.0026225300000000, -0.0011430000000000, 0.0010777900000000 ] - [ -0.0012062400000000, -0.0006592200000000, 0.0022759200000000 ] - [ 0.0027744800000000, -0.0000821500000000, 0.0020319000000000 ] - [ 0.0021934000000000, -0.0016193600000000, 0.0012383400000000 ] - [ 0.0015754500000000, -0.0010201200000000, 0.0018958400000000 ] - [ 0.0010437000000000, -0.0005166400000000, 0.0023308000000000 ] - [ 0.0040535400000000, 0.0007654400000000, 0.0010351200000000 ] - [ 0.0001592600000000, 0.0018927600000000, 0.0018851700000000 ] - [ -0.0000692700000000, 0.0010128600000000, 0.0021785100000000 ] - [ 0.0002809200000000, 0.0030018700000000, 0.0013194800000000 ] - [ 0.0000217600000000, 0.0016407300000000, -0.0010857500000000 ] - [ -0.0009056200000000, 0.0007255800000000, -0.0012441200000000 ] - [ -0.0001290400000000, 0.0027185300000000, -0.0007392100000000 ] - [ -0.0008850900000000, 0.0009064600000000, -0.0009839700000000 ] - [ 0.1179447200000000, 0.0323747000000000, 0.0450539400000000 ] - [ 0.0004421000000000, -0.0004820200000000, -0.0019822100000000 ] - [ 0.0011632900000000, -0.0000068400000000, -0.0013686000000000 ] - [ 0.0006723700000000, -0.0012981200000000, -0.0022305400000000 ] - [ -0.0010064300000000, -0.0014308400000000, -0.0011063800000000 ] - [ -0.0024253300000000, -0.0021308700000000, -0.0012018300000000 ] - [ -0.0014929400000000, -0.0022485000000000, -0.0007777100000000 ] - [ -0.0006839200000000, -0.0005215000000000, -0.0009194300000000 ] - [ -0.0007447600000000, 0.0014330300000000, -0.0010327800000000 ] - [ -0.0007987800000000, 0.0004077700000000, -0.0011063400000000 ] - [ -0.0000392000000000, 0.0016051000000000, -0.0002098900000000 ] - [ -0.0013092600000000, 0.0020535100000000, -0.0009296900000000 ] - [ 0.0016471300000000, 0.0000742800000000, -0.0009194200000000 ] - [ -0.0003019000000000, -0.0001501800000000, -0.0011118300000000 ] - [ 0.0025855300000000, -0.0004094000000000, -0.0006144700000000 ] - [ 0.0010548700000000, 0.0000365600000000, -0.0010916000000000 ] - [ -0.0023287600000000, -0.0003537700000000, -0.0018850200000000 ] - [ -0.0006112500000000, -0.0013739200000000, -0.0006433000000000 ] - [ -0.0007326000000000, -0.0011406800000000, -0.0011892000000000 ] - [ -0.0003837700000000, -0.0012599800000000, -0.0011313600000000 ] - [ -0.0010897000000000, 0.0011911500000000, -0.0010091900000000 ] - [ -0.0000201400000000, 0.0021692800000000, -0.0011665300000000 ] - [ -0.0000590800000000, 0.0006084000000000, -0.0023196600000000 ] - [ -0.0003869000000000, 0.0011555400000000, -0.0013932200000000 ] - [ 0.0009005500000000, -0.0003824700000000, -0.0016664200000000 ] - [ 0.0015844800000000, -0.0002629000000000, -0.0010232500000000 ] - [ 0.0003334000000000, -0.0020440600000000, -0.0040701500000000 ] - [ 0.0006779800000000, -0.0001235000000000, -0.0013843900000000 ] - [ -0.0022839100000000, -0.0011424000000000, -0.0008577700000000 ] - [ -0.0004866900000000, -0.0009264300000000, -0.0011018100000000 ] - [ -0.0006424400000000, -0.0020906200000000, -0.0010396100000000 ] - [ -0.0011117200000000, -0.0017885000000000, -0.0008578700000000 ] - [ 0.0014914500000000, 0.0023520200000000, 0.0011607500000000 ] - [ -0.0012205000000000, 0.0015232700000000, -0.0009080000000000 ] - [ -0.0013772900000000, 0.0015345900000000, -0.0008667300000000 ] - [ -0.0015999400000000, 0.0015492100000000, -0.0008818400000000 ] - [ 0.4279120600000000, -0.0052940600000000, 0.0049125300000000 ] - [ 0.0003731900000000, 0.0001026400000000, -0.0009453700000000 ] - [ 0.0018460100000000, 0.0001178500000000, -0.0009734400000000 ] - [ 0.0004218000000000, -0.0005167700000000, -0.0011071600000000 ] - [ -0.0010799200000000, -0.0002341900000000, -0.0019518200000000 ] - [ -0.0008135400000000, -0.0014108800000000, -0.0008347600000000 ] - [ -0.0001585400000000, 0.0000948000000000, -0.0027677000000000 ] - [ -0.0010110700000000, -0.0009416500000000, -0.0014623500000000 ] - [ -0.0007470500000000, 0.0009103200000000, -0.0024839300000000 ] - [ -0.0010421100000000, 0.0011006900000000, -0.0010966100000000 ] - [ -0.0004138000000000, 0.0010336700000000, -0.0015886400000000 ] - [ -0.0001224000000000, 0.0006670800000000, -0.0019039500000000 ] - [ 0.0012638300000000, 0.0001621700000000, -0.0020288900000000 ] - [ 0.0002637500000000, -0.0010810700000000, -0.0025584200000000 ] - [ 0.0016106200000000, 0.0003284500000000, -0.0011655100000000 ] - [ 0.0008390800000000, -0.0004115200000000, -0.0018692000000000 ] - [ -0.0004050900000000, -0.0007622600000000, -0.0011746700000000 ] - [ -0.0013371400000000, -0.0022710700000000, -0.0010164500000000 ] - [ 0.0008584700000000, -0.0013886400000000, -0.0009835900000000 ] - [ -0.0012211600000000, -0.0013679200000000, -0.0010406700000000 ] - [ -0.0016597900000000, 0.0021977000000000, -0.0011824100000000 ] - [ -0.0008818000000000, 0.0013861300000000, -0.0011339600000000 ] - [ -0.0003602700000000, 0.0005896500000000, -0.0010651900000000 ] - [ -0.0008284400000000, 0.0014435100000000, -0.0009902600000000 ] - [ 0.0010974100000000, -0.0001279400000000, -0.0009330600000000 ] - [ 0.0026575600000000, 0.0002716800000000, -0.0013350500000000 ] - [ -0.0007496800000000, -0.0005646700000000, -0.0017710600000000 ] - [ 0.0014731900000000, 0.0004589800000000, -0.0008849600000000 ] - [ -0.0016765700000000, -0.0005002900000000, -0.0031592900000000 ] - [ -0.0010020800000000, -0.0009041500000000, -0.0016218600000000 ] - [ -0.0007578800000000, -0.0004442100000000, -0.0019253900000000 ] - [ -0.0005512500000000, -0.0015673400000000, -0.0011336300000000 ] - [ -0.0004822600000000, -0.0002976900000000, 0.0007337800000000 ] - [ 0.0004447900000000, 0.0009256800000000, 0.0007228800000000 ] - [ 0.0092541900000000, -0.0075216700000000, -0.0140369900000000 ] - [ 0.0019823600000000, 0.0000245000000000, 0.0009297500000000 ] - [ 0.0004250000000000, -0.0003508900000000, 0.0009448500000000 ] - [ 0.0004882800000000, 0.0015324400000000, 0.0016040400000000 ] - [ -0.0004465900000000, 0.0007877300000000, 0.0011420300000000 ] - [ 0.0007195200000000, -0.0003374400000000, 0.0007672600000000 ] - [ 0.0005387600000000, -0.0141406000000000, -0.0159999200000000 ] - [ 0.0017540200000000, 0.0001546600000000, 0.0008154600000000 ] - [ -0.0005874000000000, -0.0006172300000000, 0.0008364400000000 ] - [ 0.0006046500000000, 0.0010232300000000, 0.0005363000000000 ] - [ -0.0004074400000000, 0.0001728000000000, 0.0018249000000000 ] - [ 0.0002515900000000, 0.0004729300000000, 0.0017601300000000 ] - [ 0.0009313000000000, -0.0022116300000000, 0.0049423500000000 ] - [ 0.0006765100000000, -0.0000574800000000, 0.0016918500000000 ] - [ 0.0003711800000000, -0.0003581100000000, 0.0024073800000000 ] - [ 0.0010779500000000, 0.0034079700000000, 0.0017429100000000 ] - [ 0.0014784300000000, 0.0058137200000000, 0.0016487000000000 ] - [ 0.0004578100000000, -0.0002509900000000, 0.0024883900000000 ] - [ 0.0008600200000000, -0.0030518900000000, 0.0042810300000000 ] - [ 0.0007646800000000, 0.0000381300000000, -0.0006521600000000 ] - [ -0.0003682100000000, -0.0001330400000000, -0.0006036000000000 ] - [ 0.0003116300000000, 0.0005410900000000, -0.0005509100000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000129646, 0.0000000000000000 ] forces: - [ 0.5286390000000000, 0.0092452300000000, 0.0267282400000000 ] - [ -0.0024736900000000, -0.0012086400000000, 0.0012097300000000 ] - [ -0.0013010600000000, -0.0006154700000000, 0.0020284100000000 ] - [ -0.0028500100000000, -0.0013596600000000, 0.0009740500000000 ] - [ 0.0018330600000000, -0.0000076500000000, 0.0022880600000000 ] - [ 0.0009899300000000, -0.0007501900000000, 0.0021884800000000 ] - [ -0.0003775800000000, 0.0004169500000000, 0.0030560600000000 ] - [ 0.0008590800000000, -0.0004287500000000, 0.0023877800000000 ] - [ -0.0014086600000000, 0.0018847500000000, 0.0013108500000000 ] - [ -0.0015339000000000, 0.0002373000000000, 0.0014088800000000 ] - [ -0.0001862000000000, 0.0010328500000000, 0.0021519500000000 ] - [ 0.0001650000000000, 0.0012264300000000, 0.0024240600000000 ] - [ -0.0020469200000000, -0.0010165700000000, 0.0017033400000000 ] - [ -0.0006375000000000, -0.0005549500000000, 0.0023355100000000 ] - [ -0.0034767600000000, -0.0025157900000000, -0.0004367500000000 ] - [ -0.0015698500000000, -0.0009605400000000, 0.0016627500000000 ] - [ 0.0005708300000000, -0.0002738500000000, 0.0024590600000000 ] - [ 0.0016001700000000, 0.0002729300000000, 0.0011626100000000 ] - [ 0.0023265500000000, -0.0014356700000000, 0.0011226500000000 ] - [ 0.0014761800000000, -0.0009193000000000, 0.0019756800000000 ] - [ 0.0000959900000000, 0.0025785900000000, 0.0011913400000000 ] - [ 0.0000055300000000, 0.0008756600000000, 0.0025508200000000 ] - [ -0.0005761600000000, 0.0023928500000000, 0.0005536400000000 ] - [ 0.0000671800000000, 0.0017870700000000, 0.0020252400000000 ] - [ -0.0015781800000000, -0.0007945700000000, 0.0017555600000000 ] - [ -0.0034788300000000, -0.0014704800000000, 0.0009245100000000 ] - [ -0.0006412000000000, -0.0004481000000000, 0.0026480400000000 ] - [ -0.0020492700000000, -0.0009265200000000, 0.0014565400000000 ] - [ 0.0002337600000000, -0.0019206200000000, 0.0016684400000000 ] - [ 0.0008123600000000, -0.0004141900000000, 0.0024885900000000 ] - [ 0.0014239100000000, -0.0010063200000000, 0.0018372500000000 ] - [ 0.0019563000000000, -0.0015071600000000, 0.0014050400000000 ] - [ -0.0037166200000000, 0.0028568300000000, 0.0027291200000000 ] - [ 0.0000953700000000, 0.0017204300000000, 0.0018464000000000 ] - [ 0.0003220000000000, 0.0025957700000000, 0.0015536000000000 ] - [ -0.0000242100000000, 0.0006203700000000, 0.0024072000000000 ] - [ -0.0007185200000000, 0.0004478600000000, -0.0020112800000000 ] - [ 0.0001852500000000, 0.0013659900000000, -0.0018405200000000 ] - [ -0.0005830600000000, -0.0006258300000000, -0.0023461900000000 ] - [ 0.0001669300000000, 0.0011876000000000, -0.0020991700000000 ] - [ -0.1156648500000000, -0.0337623600000000, -0.0493459800000000 ] - [ 0.0017262600000000, 0.0000525400000000, -0.0011064400000000 ] - [ 0.0010102400000000, -0.0004224600000000, -0.0017171300000000 ] - [ 0.0014924900000000, 0.0008570400000000, -0.0008649800000000 ] - [ -0.0005602400000000, -0.0012250300000000, -0.0008978900000000 ] - [ 0.0008093500000000, -0.0005762900000000, -0.0008037700000000 ] - [ -0.0000792400000000, -0.0004127600000000, -0.0012224200000000 ] - [ -0.0008821100000000, -0.0021288500000000, -0.0010826300000000 ] - [ -0.0007686700000000, 0.0012490500000000, -0.0009709300000000 ] - [ -0.0007215000000000, 0.0022675300000000, -0.0008996600000000 ] - [ -0.0014625500000000, 0.0010939800000000, -0.0017970000000000 ] - [ -0.0002097700000000, 0.0006371200000000, -0.0010738500000000 ] - [ 0.0014491400000000, -0.0001024600000000, -0.0010842800000000 ] - [ 0.0033630400000000, 0.0001264000000000, -0.0008892900000000 ] - [ 0.0005043500000000, 0.0003787700000000, -0.0013847800000000 ] - [ 0.0020261900000000, -0.0000666600000000, -0.0009118700000000 ] - [ 0.0008533400000000, -0.0012910300000000, -0.0012099400000000 ] - [ -0.0008494500000000, -0.0002901900000000, -0.0024774200000000 ] - [ -0.0007232700000000, -0.0005295500000000, -0.0018931300000000 ] - [ -0.0010692600000000, -0.0004121500000000, -0.0019488100000000 ] - [ 0.0003467700000000, 0.0008889400000000, -0.0019436900000000 ] - [ -0.0006968500000000, -0.0001187100000000, -0.0017915600000000 ] - [ -0.0006779700000000, 0.0014655200000000, -0.0006431800000000 ] - [ -0.0003492700000000, 0.0009219400000000, -0.0015640200000000 ] - [ 0.0012681300000000, -0.0000191100000000, -0.0012899400000000 ] - [ 0.0005861800000000, -0.0001400000000000, -0.0019289900000000 ] - [ 0.0018278600000000, 0.0016277800000000, 0.0010889000000000 ] - [ 0.0014984700000000, -0.0002762800000000, -0.0015678000000000 ] - [ 0.0007265500000000, -0.0015026500000000, -0.0011214800000000 ] - [ -0.0010883200000000, -0.0017482100000000, -0.0009058800000000 ] - [ -0.0009195000000000, -0.0005709500000000, -0.0009520100000000 ] - [ -0.0004536900000000, -0.0008697900000000, -0.0011313100000000 ] - [ -0.0030000100000000, 0.0002843500000000, -0.0030993900000000 ] - [ -0.0002980200000000, 0.0011576100000000, -0.0010820900000000 ] - [ -0.0001312700000000, 0.0011422000000000, -0.0011320500000000 ] - [ 0.0000769900000000, 0.0011311900000000, -0.0011096100000000 ] - [ -0.3878956100000000, 0.0083597500000000, -0.0011333400000000 ] - [ 0.0026990900000000, -0.0001278000000000, -0.0010436100000000 ] - [ 0.0012356400000000, -0.0001453700000000, -0.0010172000000000 ] - [ 0.0026422500000000, 0.0004847700000000, -0.0008836400000000 ] - [ -0.0003519800000000, -0.0014401200000000, -0.0010047200000000 ] - [ -0.0006174000000000, -0.0002691800000000, -0.0021153200000000 ] - [ -0.0012709800000000, -0.0017664700000000, -0.0002105100000000 ] - [ -0.0004203400000000, -0.0007375000000000, -0.0014920700000000 ] - [ 0.0000024100000000, 0.0011612200000000, -0.0006564900000000 ] - [ 0.0002919800000000, 0.0009622600000000, -0.0020251300000000 ] - [ -0.0003305300000000, 0.0010265900000000, -0.0015361000000000 ] - [ -0.0006239800000000, 0.0013890000000000, -0.0012222200000000 ] - [ 0.0009033200000000, -0.0005442700000000, -0.0011022900000000 ] - [ 0.0018885100000000, 0.0006880000000000, -0.0005771200000000 ] - [ 0.0005509600000000, -0.0007094300000000, -0.0019565300000000 ] - [ 0.0013181300000000, 0.0000249000000000, -0.0012553000000000 ] - [ -0.0011553000000000, -0.0019437900000000, -0.0008261300000000 ] - [ -0.0002284300000000, -0.0004408500000000, -0.0009831600000000 ] - [ -0.0024102800000000, -0.0013182700000000, -0.0010146300000000 ] - [ -0.0003440600000000, -0.0013395200000000, -0.0009584900000000 ] - [ 0.0000902600000000, 0.0005173300000000, -0.0008195700000000 ] - [ -0.0006839800000000, 0.0013065900000000, -0.0008570600000000 ] - [ -0.0012001200000000, 0.0021130200000000, -0.0009347800000000 ] - [ -0.0007333700000000, 0.0012612600000000, -0.0010101300000000 ] - [ 0.0020288900000000, 0.0001272800000000, -0.0010654700000000 ] - [ 0.0004753700000000, -0.0002707000000000, -0.0006669100000000 ] - [ 0.0038603700000000, 0.0005601600000000, -0.0002335200000000 ] - [ 0.0016590000000000, -0.0004621500000000, -0.0011235300000000 ] - [ 0.0002240100000000, -0.0011497300000000, -0.0000381900000000 ] - [ -0.0004109900000000, -0.0007725200000000, -0.0015012700000000 ] - [ -0.0006523000000000, -0.0012314800000000, -0.0011983800000000 ] - [ -0.0008604200000000, -0.0001148400000000, -0.0019853900000000 ] - [ 0.0004771300000000, 0.0003027900000000, 0.0007435800000000 ] - [ -0.0004399200000000, -0.0009167500000000, 0.0007564800000000 ] - [ -0.0096025400000000, 0.0076787100000000, 0.0159091900000000 ] - [ -0.0019700500000000, -0.0000261200000000, 0.0005518700000000 ] - [ -0.0004276000000000, 0.0003515400000000, 0.0005273700000000 ] - [ -0.0004608500000000, -0.0015278300000000, -0.0000996300000000 ] - [ 0.0004516400000000, -0.0007845900000000, 0.0003399700000000 ] - [ -0.0007200800000000, 0.0003389600000000, 0.0007057500000000 ] - [ -0.0004567800000000, 0.0138754000000000, 0.0171949300000000 ] - [ -0.0017421400000000, -0.0001578000000000, 0.0006756400000000 ] - [ 0.0005815800000000, 0.0006229000000000, 0.0006527500000000 ] - [ -0.0005973600000000, -0.0010119000000000, 0.0009538900000000 ] - [ 0.0004003200000000, -0.0001628100000000, 0.0017189200000000 ] - [ -0.0002481000000000, -0.0004677000000000, 0.0017818400000000 ] - [ -0.0009068700000000, 0.0021896600000000, -0.0013821000000000 ] - [ -0.0006733900000000, 0.0000558800000000, 0.0018496200000000 ] - [ -0.0003714900000000, 0.0003576100000000, 0.0026201300000000 ] - [ -0.0010523500000000, -0.0033857300000000, 0.0032677500000000 ] - [ -0.0014626800000000, -0.0057671100000000, 0.0033682800000000 ] - [ -0.0004580600000000, 0.0002518200000000, 0.0025388100000000 ] - [ -0.0008492600000000, 0.0030208600000000, -0.0054678200000000 ] - [ -0.0007636500000000, -0.0000399400000000, -0.0005801300000000 ] - [ 0.0003645800000000, 0.0001382000000000, -0.0006272400000000 ] - [ -0.0003079600000000, -0.0005353400000000, -0.0006809600000000 ]- atom: 1 displacement: [ -0.0050000000336304, 0.0086602540184278, 0.0000000000000000 ] forces: - [ 0.2617166900000000, -0.2099076000000000, -0.2042842700000000 ] - [ -0.0016953000000000, -0.0008336600000000, 0.0018705900000000 ] - [ -0.0016192300000000, -0.0008198300000000, 0.0019450100000000 ] - [ -0.0017467400000000, -0.0008923700000000, 0.0017185000000000 ] - [ 0.0001475100000000, -0.0000201000000000, 0.0030268000000000 ] - [ 0.0015937000000000, -0.0010059000000000, 0.0018356400000000 ] - [ 0.0005518200000000, 0.0003482400000000, 0.0023827600000000 ] - [ 0.0012900200000000, -0.0007708100000000, 0.0020500200000000 ] - [ -0.0000543600000000, 0.0007382100000000, 0.0010150000000000 ] - [ -0.0005809300000000, 0.0018497700000000, 0.0019728500000000 ] - [ 0.0000205800000000, 0.0016563200000000, 0.0019264200000000 ] - [ 0.0000730400000000, 0.0018701900000000, 0.0018257200000000 ] - [ -0.0017189200000000, -0.0008518600000000, 0.0018003900000000 ] - [ -0.0014298800000000, -0.0008887600000000, 0.0017832800000000 ] - [ -0.0019682600000000, -0.0014235000000000, 0.0011333900000000 ] - [ -0.0016011600000000, -0.0008072800000000, 0.0016827100000000 ] - [ 0.0013812800000000, -0.0008984900000000, 0.0019814300000000 ] - [ -0.0001148400000000, 0.0024718600000000, 0.0005345900000000 ] - [ 0.0017165000000000, -0.0011151000000000, 0.0016306400000000 ] - [ 0.0014764900000000, -0.0009822800000000, 0.0019052600000000 ] - [ 0.0001418500000000, 0.0020290100000000, 0.0017412200000000 ] - [ 0.0000959500000000, 0.0016179800000000, 0.0020219600000000 ] - [ 0.0003547500000000, 0.0032847500000000, 0.0012713800000000 ] - [ 0.0001042600000000, 0.0018499800000000, 0.0018394500000000 ] - [ -0.0014700000000000, -0.0007194100000000, 0.0015447000000000 ] - [ -0.0010599900000000, -0.0008879000000000, 0.0019760200000000 ] - [ -0.0013422700000000, -0.0008363000000000, 0.0019440000000000 ] - [ -0.0016585600000000, -0.0008025700000000, 0.0018239600000000 ] - [ 0.0005382200000000, -0.0007335100000000, 0.0030473300000000 ] - [ 0.0014107100000000, -0.0009385600000000, 0.0018963800000000 ] - [ 0.0014601800000000, -0.0009783500000000, 0.0018600000000000 ] - [ 0.0014533300000000, -0.0010171100000000, 0.0018213300000000 ] - [ -0.0020652100000000, 0.0017937800000000, 0.0023150900000000 ] - [ 0.0001242200000000, 0.0017416000000000, 0.0019090000000000 ] - [ 0.0001180600000000, 0.0017696200000000, 0.0018829800000000 ] - [ 0.0001001500000000, 0.0016280200000000, 0.0019183700000000 ] - [ 0.0005900900000000, 0.0008007100000000, -0.0025743300000000 ] - [ -0.0004415000000000, 0.0010386200000000, -0.0015215200000000 ] - [ -0.0009069100000000, 0.0011782200000000, -0.0009887800000000 ] - [ -0.0002290800000000, 0.0010036000000000, -0.0016996600000000 ] - [ -0.0309300700000000, 0.1377833700000000, 0.1536211900000000 ] - [ 0.0011048300000000, -0.0001678200000000, -0.0015074600000000 ] - [ 0.0011115300000000, -0.0002427400000000, -0.0016008800000000 ] - [ 0.0011318200000000, 0.0000358200000000, -0.0014489900000000 ] - [ -0.0007471200000000, -0.0012702700000000, -0.0010035600000000 ] - [ 0.0003506900000000, -0.0002517200000000, -0.0012257600000000 ] - [ -0.0006736700000000, -0.0012489500000000, -0.0010846600000000 ] - [ -0.0008064700000000, -0.0012979600000000, -0.0010146500000000 ] - [ -0.0007320200000000, 0.0013116800000000, -0.0010029500000000 ] - [ -0.0006848400000000, 0.0014069200000000, -0.0010624900000000 ] - [ -0.0005168000000000, 0.0009370800000000, -0.0013316000000000 ] - [ -0.0006640300000000, 0.0012452700000000, -0.0010269600000000 ] - [ 0.0014490300000000, -0.0000158900000000, -0.0009356700000000 ] - [ 0.0011239700000000, -0.0001841100000000, -0.0014417600000000 ] - [ 0.0012597300000000, 0.0000631700000000, -0.0010787400000000 ] - [ 0.0015889700000000, -0.0000330500000000, -0.0010003500000000 ] - [ -0.0016920700000000, -0.0008885400000000, -0.0008408000000000 ] - [ -0.0006961600000000, -0.0007343700000000, -0.0013697100000000 ] - [ -0.0007195500000000, -0.0007910800000000, -0.0016099900000000 ] - [ -0.0007238200000000, -0.0009289700000000, -0.0015410900000000 ] - [ -0.0002818700000000, 0.0010439100000000, -0.0015650000000000 ] - [ 0.0016486500000000, 0.0039525800000000, -0.0043121200000000 ] - [ -0.0004545200000000, 0.0011152100000000, -0.0012110700000000 ] - [ -0.0003355000000000, 0.0009794200000000, -0.0014883900000000 ] - [ 0.0011200300000000, -0.0001620400000000, -0.0014167500000000 ] - [ 0.0009214000000000, -0.0000981100000000, -0.0012888400000000 ] - [ 0.0013223800000000, 0.0003647700000000, -0.0006103200000000 ] - [ 0.0014402300000000, -0.0002678900000000, -0.0013803300000000 ] - [ -0.0012102400000000, -0.0000603200000000, -0.0007661600000000 ] - [ -0.0009820200000000, -0.0017252100000000, -0.0008873700000000 ] - [ -0.0008352400000000, -0.0012021600000000, -0.0009956100000000 ] - [ -0.0007898800000000, -0.0013874800000000, -0.0009949300000000 ] - [ 0.0002567300000000, -0.0000300800000000, -0.0015501300000000 ] - [ -0.0007792100000000, 0.0013871500000000, -0.0009695300000000 ] - [ -0.0007651300000000, 0.0020302100000000, -0.0016977100000000 ] - [ -0.0005109400000000, 0.0011689900000000, -0.0009897300000000 ] - [ -0.2036722200000000, 0.0522364600000000, 0.0315782500000000 ] - [ 0.0016100300000000, -0.0000162100000000, -0.0009850400000000 ] - [ 0.0015652400000000, -0.0000319300000000, -0.0010300000000000 ] - [ 0.0016558800000000, -0.0000248900000000, -0.0009193900000000 ] - [ -0.0005910800000000, -0.0009525400000000, -0.0013177500000000 ] - [ -0.0006454900000000, -0.0005979000000000, -0.0014916400000000 ] - [ -0.0007338200000000, -0.0011870300000000, -0.0004127600000000 ] - [ -0.0006444200000000, -0.0008515500000000, -0.0014404700000000 ] - [ -0.0004834300000000, 0.0003219200000000, -0.0008101600000000 ] - [ -0.0003534400000000, 0.0010440200000000, -0.0016820300000000 ] - [ -0.0003423700000000, 0.0010227800000000, -0.0015810200000000 ] - [ -0.0003481600000000, 0.0011284500000000, -0.0015590900000000 ] - [ 0.0009646900000000, -0.0001923400000000, -0.0013193600000000 ] - [ 0.0009666800000000, -0.0002434300000000, -0.0018953000000000 ] - [ 0.0009892200000000, -0.0002195100000000, -0.0016210100000000 ] - [ 0.0011129900000000, -0.0001882500000000, -0.0015410600000000 ] - [ -0.0008469400000000, -0.0014985600000000, -0.0009532700000000 ] - [ -0.0005621000000000, -0.0010779100000000, -0.0009485100000000 ] - [ -0.0017831500000000, -0.0024545400000000, -0.0015739000000000 ] - [ -0.0007147100000000, -0.0013885900000000, -0.0009790800000000 ] - [ -0.0006405000000000, 0.0012473800000000, -0.0010215600000000 ] - [ 0.0006065000000000, 0.0000575700000000, -0.0012994900000000 ] - [ -0.0008887800000000, 0.0015162600000000, -0.0009577600000000 ] - [ -0.0007585800000000, 0.0012964100000000, -0.0009938500000000 ] - [ 0.0016747100000000, 0.0000353200000000, -0.0010063400000000 ] - [ 0.0012816400000000, 0.0000310100000000, -0.0007803100000000 ] - [ 0.0021438700000000, 0.0001977200000000, -0.0007394400000000 ] - [ 0.0016937600000000, -0.0003194700000000, -0.0014962100000000 ] - [ -0.0002614700000000, -0.0010810000000000, -0.0011693700000000 ] - [ -0.0006916100000000, -0.0008038200000000, -0.0016021600000000 ] - [ -0.0006891500000000, -0.0008580900000000, -0.0015705800000000 ] - [ -0.0007370000000000, -0.0007444100000000, -0.0016031800000000 ] - [ 0.0000767300000000, 0.0003063000000000, 0.0004105000000000 ] - [ -0.0000789100000000, -0.0001851500000000, 0.0006377200000000 ] - [ -0.0133625300000000, 0.0089961100000000, 0.0125007600000000 ] - [ -0.0001583900000000, 0.0001970000000000, 0.0009094800000000 ] - [ -0.0000469100000000, -0.0000422400000000, 0.0006851900000000 ] - [ -0.0002345200000000, -0.0009957100000000, 0.0013093500000000 ] - [ 0.0001203500000000, 0.0000907200000000, 0.0006655100000000 ] - [ -0.0001840700000000, 0.0001303700000000, 0.0008886700000000 ] - [ -0.0098834000000000, 0.0030492500000000, 0.0105947600000000 ] - [ 0.0000555200000000, -0.0000284000000000, 0.0008225300000000 ] - [ -0.0000221000000000, 0.0003041400000000, 0.0007690700000000 ] - [ -0.0000975700000000, -0.0000766600000000, 0.0008637500000000 ] - [ 0.0001072300000000, -0.0000318500000000, 0.0018613800000000 ] - [ -0.0000293700000000, -0.0000713800000000, 0.0018122700000000 ] - [ -0.0000217200000000, -0.0001906200000000, 0.0025774100000000 ] - [ -0.0000094800000000, 0.0000463800000000, 0.0017234300000000 ] - [ -0.0000973000000000, -0.0000438200000000, 0.0025154600000000 ] - [ 0.0007108500000000, 0.0010448900000000, 0.0022753700000000 ] - [ -0.0000099500000000, -0.0009609300000000, 0.0028673900000000 ] - [ -0.0000537100000000, 0.0000574300000000, 0.0024561400000000 ] - [ -0.0004027700000000, 0.0006822400000000, -0.0026100900000000 ] - [ -0.0003126500000000, -0.0000795600000000, -0.0006614500000000 ] - [ 0.0000544700000000, 0.0001059000000000, -0.0006278600000000 ] - [ -0.0000516100000000, -0.0000838100000000, -0.0006586700000000 ]- atom: 1 displacement: [ 0.0050000000336304, -0.0086602540184278, 0.0000000000000000 ] forces: - [ -0.2672735200000000, 0.2039097000000000, 0.2113487800000000 ] - [ -0.0015486800000000, -0.0007716000000000, 0.0019008300000000 ] - [ -0.0016178000000000, -0.0007785800000000, 0.0018308100000000 ] - [ -0.0014847900000000, -0.0007065100000000, 0.0020634300000000 ] - [ 0.0028688800000000, -0.0019866000000000, 0.0007400100000000 ] - [ 0.0014106100000000, -0.0009994400000000, 0.0019399800000000 ] - [ 0.0023574000000000, -0.0022604300000000, 0.0014319500000000 ] - [ 0.0017107200000000, -0.0012311000000000, 0.0017325400000000 ] - [ 0.0002874400000000, 0.0029120500000000, 0.0027444400000000 ] - [ 0.0007752700000000, 0.0017020500000000, 0.0017943600000000 ] - [ 0.0002087300000000, 0.0019557000000000, 0.0018422300000000 ] - [ 0.0001589700000000, 0.0017340600000000, 0.0019508700000000 ] - [ -0.0015285200000000, -0.0007598200000000, 0.0019220800000000 ] - [ -0.0018182200000000, -0.0007208000000000, 0.0019340100000000 ] - [ -0.0012900300000000, -0.0001915200000000, 0.0025817700000000 ] - [ -0.0016563700000000, -0.0008070900000000, 0.0020354600000000 ] - [ 0.0016337800000000, -0.0011048600000000, 0.0017418600000000 ] - [ 0.0032570400000000, -0.0045530300000000, 0.0031188900000000 ] - [ 0.0013109100000000, -0.0008977500000000, 0.0020862800000000 ] - [ 0.0015368500000000, -0.0010208300000000, 0.0018226000000000 ] - [ 0.0000864600000000, 0.0015972900000000, 0.0019738600000000 ] - [ 0.0001313400000000, 0.0020049400000000, 0.0016931300000000 ] - [ -0.0001514300000000, 0.0002721300000000, 0.0024504500000000 ] - [ 0.0001221100000000, 0.0017654700000000, 0.0018818300000000 ] - [ -0.0017954600000000, -0.0008759200000000, 0.0021859500000000 ] - [ -0.0021819000000000, -0.0006952600000000, 0.0017585600000000 ] - [ -0.0018988000000000, -0.0007645800000000, 0.0017902100000000 ] - [ -0.0016028100000000, -0.0007883700000000, 0.0018999600000000 ] - [ 0.0024383100000000, -0.0012450500000000, 0.0006556400000000 ] - [ 0.0015949800000000, -0.0010859100000000, 0.0018301500000000 ] - [ 0.0015379700000000, -0.0010440100000000, 0.0018722000000000 ] - [ 0.0015482100000000, -0.0010077300000000, 0.0019108600000000 ] - [ 0.0023321400000000, 0.0018626900000000, 0.0014261900000000 ] - [ 0.0001275300000000, 0.0018727600000000, 0.0018194000000000 ] - [ 0.0001325000000000, 0.0018444200000000, 0.0018442400000000 ] - [ 0.0001526500000000, 0.0019772100000000, 0.0018135500000000 ] - [ -0.0013086700000000, 0.0012865600000000, -0.0005028100000000 ] - [ -0.0002758300000000, 0.0010565100000000, -0.0015616500000000 ] - [ 0.0002180900000000, 0.0008665700000000, -0.0020775700000000 ] - [ -0.0004825900000000, 0.0010925900000000, -0.0013890000000000 ] - [ 0.0307978800000000, -0.1372664000000000, -0.1603657200000000 ] - [ 0.0010719400000000, -0.0002576000000000, -0.0015735000000000 ] - [ 0.0010643700000000, -0.0001909600000000, -0.0014837100000000 ] - [ 0.0010366500000000, -0.0004645000000000, -0.0016394700000000 ] - [ -0.0008173100000000, -0.0013852400000000, -0.0009992500000000 ] - [ -0.0019437200000000, -0.0024454600000000, -0.0007645400000000 ] - [ -0.0008882600000000, -0.0013970000000000, -0.0009175100000000 ] - [ -0.0007557100000000, -0.0013551500000000, -0.0009828200000000 ] - [ -0.0007805600000000, 0.0013640500000000, -0.0009984700000000 ] - [ -0.0008322600000000, 0.0012713200000000, -0.0009418900000000 ] - [ -0.0009729400000000, 0.0017457300000000, -0.0007007500000000 ] - [ -0.0008502500000000, 0.0014391800000000, -0.0009747000000000 ] - [ 0.0016461900000000, -0.0000152100000000, -0.0010705500000000 ] - [ 0.0019375300000000, 0.0001575800000000, -0.0005567200000000 ] - [ 0.0018049400000000, -0.0000830600000000, -0.0009220500000000 ] - [ 0.0014986700000000, 0.0000024100000000, -0.0010017400000000 ] - [ 0.0002722700000000, -0.0007891600000000, -0.0022270700000000 ] - [ -0.0007418700000000, -0.0009066100000000, -0.0017118500000000 ] - [ -0.0007348700000000, -0.0008821100000000, -0.0014696400000000 ] - [ -0.0007295200000000, -0.0007393600000000, -0.0015411800000000 ] - [ -0.0004533900000000, 0.0010332800000000, -0.0013931700000000 ] - [ -0.0025669700000000, -0.0019185900000000, 0.0015440100000000 ] - [ -0.0002891800000000, 0.0009630500000000, -0.0017390200000000 ] - [ -0.0003981300000000, 0.0010973500000000, -0.0014727200000000 ] - [ 0.0010490600000000, -0.0002401400000000, -0.0015402400000000 ] - [ 0.0012498800000000, -0.0003050600000000, -0.0016668100000000 ] - [ 0.0008463200000000, -0.0007564200000000, -0.0023373600000000 ] - [ 0.0007449800000000, -0.0001293200000000, -0.0015750700000000 ] - [ -0.0003735200000000, -0.0026173900000000, -0.0012172600000000 ] - [ -0.0005452600000000, -0.0008838900000000, -0.0010881500000000 ] - [ -0.0007366500000000, -0.0014602300000000, -0.0009966800000000 ] - [ -0.0007692900000000, -0.0012640800000000, -0.0009947400000000 ] - [ -0.0017721300000000, 0.0027049600000000, -0.0004417400000000 ] - [ -0.0007335800000000, 0.0012921100000000, -0.0010202100000000 ] - [ -0.0007087400000000, 0.0005978400000000, -0.0003148600000000 ] - [ -0.0010007300000000, 0.0015058100000000, -0.0010030600000000 ] - [ 0.2115319300000000, -0.0486992900000000, -0.0334629300000000 ] - [ 0.0014753300000000, -0.0000098200000000, -0.0010055400000000 ] - [ 0.0015119100000000, -0.0000020800000000, -0.0009600200000000 ] - [ 0.0014132400000000, -0.0000032600000000, -0.0010700400000000 ] - [ -0.0008358700000000, -0.0007316900000000, -0.0016332600000000 ] - [ -0.0007866900000000, -0.0010852500000000, -0.0014591500000000 ] - [ -0.0007034000000000, -0.0004818000000000, -0.0025571100000000 ] - [ -0.0007826000000000, -0.0008261800000000, -0.0015142400000000 ] - [ -0.0002455100000000, 0.0017516400000000, -0.0023331900000000 ] - [ -0.0003961100000000, 0.0010180100000000, -0.0014378000000000 ] - [ -0.0004026600000000, 0.0010345900000000, -0.0015420500000000 ] - [ -0.0003989300000000, 0.0009302800000000, -0.0015627500000000 ] - [ 0.0012027900000000, -0.0001953800000000, -0.0018052600000000 ] - [ 0.0011813600000000, -0.0001454900000000, -0.0012294600000000 ] - [ 0.0011619600000000, -0.0001590600000000, -0.0015021800000000 ] - [ 0.0010492900000000, -0.0001928900000000, -0.0015762400000000 ] - [ -0.0007161500000000, -0.0012140100000000, -0.0010459200000000 ] - [ -0.0010030900000000, -0.0016308400000000, -0.0010509200000000 ] - [ 0.0002313700000000, -0.0001921300000000, -0.0004254900000000 ] - [ -0.0008430200000000, -0.0013132400000000, -0.0010194400000000 ] - [ -0.0009151400000000, 0.0014539200000000, -0.0009771000000000 ] - [ -0.0022168700000000, 0.0026957800000000, -0.0006909200000000 ] - [ -0.0006787900000000, 0.0011934000000000, -0.0010410200000000 ] - [ -0.0007979700000000, 0.0014003500000000, -0.0010071000000000 ] - [ 0.0014478000000000, -0.0000352800000000, -0.0009929700000000 ] - [ 0.0018440100000000, -0.0000362800000000, -0.0012203600000000 ] - [ 0.0009892000000000, -0.0001956000000000, -0.0012555900000000 ] - [ 0.0014400200000000, 0.0003064400000000, -0.0005250600000000 ] - [ -0.0011531200000000, -0.0005937600000000, -0.0019763800000000 ] - [ -0.0007172900000000, -0.0008746700000000, -0.0015170600000000 ] - [ -0.0007143600000000, -0.0008222800000000, -0.0015431700000000 ] - [ -0.0006770000000000, -0.0009296100000000, -0.0015198800000000 ] - [ -0.0000844500000000, -0.0002981700000000, 0.0010749000000000 ] - [ 0.0000878700000000, 0.0001892500000000, 0.0008451000000000 ] - [ 0.0130873600000000, -0.0090936200000000, -0.0105516300000000 ] - [ 0.0001460300000000, -0.0002004300000000, 0.0005676900000000 ] - [ 0.0000405700000000, 0.0000524900000000, 0.0007831200000000 ] - [ 0.0002463700000000, 0.0010113500000000, 0.0001627500000000 ] - [ -0.0001030000000000, -0.0001053800000000, 0.0008165600000000 ] - [ 0.0001714300000000, -0.0001304600000000, 0.0005813500000000 ] - [ 0.0100836800000000, -0.0030526000000000, -0.0093492400000000 ] - [ -0.0000627300000000, 0.0000182700000000, 0.0006596300000000 ] - [ 0.0000224000000000, -0.0002556600000000, 0.0007018200000000 ] - [ 0.0000956400000000, 0.0000785400000000, 0.0006262800000000 ] - [ -0.0001128100000000, 0.0000405100000000, 0.0016782100000000 ] - [ 0.0000342600000000, 0.0000748500000000, 0.0017276800000000 ] - [ 0.0000483400000000, 0.0001573300000000, 0.0009631600000000 ] - [ 0.0000028000000000, -0.0000479600000000, 0.0018187100000000 ] - [ 0.0000954100000000, 0.0000508000000000, 0.0025127400000000 ] - [ -0.0007074400000000, -0.0010240600000000, 0.0027580100000000 ] - [ 0.0000314700000000, 0.0009422300000000, 0.0021486000000000 ] - [ 0.0000402900000000, -0.0000559400000000, 0.0025708700000000 ] - [ 0.0003796900000000, -0.0006692500000000, 0.0013671500000000 ] - [ 0.0003141900000000, 0.0000760000000000, -0.0005687800000000 ] - [ -0.0000530300000000, -0.0000959800000000, -0.0005989700000000 ] - [ 0.0000507200000000, 0.0000857600000000, -0.0005743100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0239817500000000, -0.2479709900000000, -0.3964853500000000 ] - [ -0.0009428400000000, -0.0004284300000000, 0.0025469400000000 ] - [ -0.0017551000000000, -0.0008149400000000, 0.0016344100000000 ] - [ -0.0007004100000000, -0.0004699600000000, 0.0024817300000000 ] - [ 0.0017618600000000, -0.0001513900000000, 0.0000241800000000 ] - [ 0.0021001600000000, -0.0012748800000000, 0.0015470900000000 ] - [ 0.0009742900000000, -0.0007662400000000, 0.0029234100000000 ] - [ 0.0017197200000000, -0.0011751100000000, 0.0016538700000000 ] - [ 0.0012564800000000, 0.0015883100000000, 0.0000190600000000 ] - [ 0.0005988900000000, 0.0028559200000000, 0.0029738000000000 ] - [ 0.0002733200000000, 0.0022794400000000, 0.0016539100000000 ] - [ 0.0000627100000000, 0.0021755300000000, 0.0015477500000000 ] - [ -0.0012196000000000, -0.0006156500000000, 0.0020609500000000 ] - [ -0.0024052400000000, -0.0011701200000000, 0.0013966400000000 ] - [ -0.0006856100000000, -0.0001397000000000, 0.0026188700000000 ] - [ -0.0015148200000000, -0.0011104600000000, 0.0015915100000000 ] - [ 0.0019981900000000, -0.0013460500000000, 0.0016179400000000 ] - [ 0.0019018100000000, -0.0017132300000000, 0.0014150200000000 ] - [ 0.0011826400000000, -0.0008372100000000, 0.0022209100000000 ] - [ 0.0014459100000000, -0.0010185700000000, 0.0018621500000000 ] - [ 0.0000693100000000, 0.0013050400000000, 0.0022598000000000 ] - [ 0.0001451900000000, 0.0025068500000000, 0.0012676500000000 ] - [ 0.0013130400000000, 0.0009163800000000, 0.0044360200000000 ] - [ 0.0001074600000000, 0.0017799400000000, 0.0017715700000000 ] - [ -0.0014347700000000, -0.0008854100000000, 0.0016009500000000 ] - [ 0.0006744200000000, -0.0002993700000000, 0.0026259100000000 ] - [ -0.0020998200000000, -0.0011528400000000, 0.0014053200000000 ] - [ -0.0014724700000000, -0.0007737300000000, 0.0020652500000000 ] - [ 0.0007716200000000, 0.0000915900000000, 0.0044410100000000 ] - [ 0.0020242700000000, -0.0015026300000000, 0.0012736400000000 ] - [ 0.0016863900000000, -0.0010963800000000, 0.0017771900000000 ] - [ 0.0009483300000000, -0.0005599200000000, 0.0022652400000000 ] - [ -0.0011640100000000, 0.0017524700000000, 0.0014521900000000 ] - [ 0.0001670300000000, 0.0019115500000000, 0.0018664600000000 ] - [ -0.0001009400000000, 0.0010871600000000, 0.0022270100000000 ] - [ 0.0002448900000000, 0.0024246800000000, 0.0016222700000000 ] - [ -0.0004016700000000, 0.0010545600000000, -0.0006604600000000 ] - [ -0.0009554400000000, 0.0007520100000000, -0.0012250200000000 ] - [ 0.0011862600000000, 0.0006217400000000, -0.0010960300000000 ] - [ -0.0005775600000000, 0.0008984000000000, -0.0012676500000000 ] - [ 0.0412385700000000, 0.2029696700000000, 0.3007230200000000 ] - [ 0.0005149200000000, -0.0004596800000000, -0.0019112500000000 ] - [ 0.0011286800000000, -0.0000921200000000, -0.0012999100000000 ] - [ 0.0008006200000000, -0.0008280300000000, -0.0020262000000000 ] - [ -0.0010226800000000, -0.0014233300000000, -0.0010793900000000 ] - [ -0.0000763000000000, -0.0008901900000000, -0.0012560400000000 ] - [ -0.0010723300000000, -0.0017999200000000, -0.0008625700000000 ] - [ -0.0006501000000000, -0.0005685300000000, -0.0009328500000000 ] - [ -0.0008555500000000, 0.0015135800000000, -0.0009938800000000 ] - [ -0.0005871600000000, 0.0005822900000000, -0.0011585500000000 ] - [ 0.0007983700000000, 0.0004790400000000, -0.0012824100000000 ] - [ -0.0011367000000000, 0.0019674200000000, -0.0009394800000000 ] - [ 0.0014126000000000, 0.0001134300000000, -0.0008324500000000 ] - [ -0.0005064200000000, -0.0003664000000000, -0.0015613100000000 ] - [ 0.0020188900000000, -0.0000874500000000, -0.0007486800000000 ] - [ 0.0013548400000000, 0.0000569300000000, -0.0010625500000000 ] - [ -0.0028018000000000, -0.0011248100000000, 0.0001863600000000 ] - [ -0.0013560200000000, -0.0008427800000000, -0.0016218300000000 ] - [ -0.0007889600000000, -0.0010552000000000, -0.0012914000000000 ] - [ -0.0003408100000000, -0.0010893500000000, -0.0012934900000000 ] - [ -0.0008153100000000, 0.0011093800000000, -0.0013208600000000 ] - [ -0.0005693000000000, -0.0013853400000000, 0.0016421200000000 ] - [ -0.0002571300000000, 0.0008381500000000, -0.0018640100000000 ] - [ -0.0003017300000000, 0.0011187600000000, -0.0015009700000000 ] - [ 0.0008790900000000, -0.0003678500000000, -0.0016843000000000 ] - [ 0.0015082600000000, -0.0001063700000000, -0.0009546900000000 ] - [ 0.0009476000000000, -0.0008762900000000, -0.0024491200000000 ] - [ 0.0011163000000000, 0.0002047900000000, -0.0011878500000000 ] - [ -0.0041756400000000, -0.0002444200000000, -0.0005321100000000 ] - [ -0.0010565100000000, -0.0013226100000000, -0.0011911200000000 ] - [ -0.0008656700000000, -0.0018177000000000, -0.0010284000000000 ] - [ -0.0008819300000000, -0.0015545300000000, -0.0008634800000000 ] - [ 0.0005002100000000, 0.0042566700000000, -0.0004817900000000 ] - [ -0.0012537300000000, 0.0015628500000000, -0.0009053900000000 ] - [ -0.0007292000000000, 0.0004367000000000, -0.0010418200000000 ] - [ -0.0010969900000000, 0.0012774900000000, -0.0008868100000000 ] - [ 0.0038519100000000, 0.0401975500000000, 0.0785728100000000 ] - [ 0.0005283400000000, 0.0001300800000000, -0.0009553200000000 ] - [ 0.0016037900000000, -0.0000016900000000, -0.0009002900000000 ] - [ 0.0007415400000000, -0.0005075500000000, -0.0010137300000000 ] - [ -0.0009652000000000, -0.0005221900000000, -0.0018807700000000 ] - [ -0.0007370000000000, -0.0012070200000000, -0.0008602800000000 ] - [ -0.0012534000000000, -0.0000465900000000, -0.0037027900000000 ] - [ -0.0008490100000000, -0.0008803900000000, -0.0014939300000000 ] - [ 0.0001005400000000, 0.0006540600000000, -0.0028319400000000 ] - [ -0.0009480600000000, 0.0011515300000000, -0.0012437400000000 ] - [ -0.0005273300000000, 0.0010283500000000, -0.0014880300000000 ] - [ -0.0000117000000000, 0.0008685000000000, -0.0018771900000000 ] - [ 0.0010489100000000, 0.0000787000000000, -0.0014797100000000 ] - [ 0.0001400000000000, -0.0010862200000000, -0.0026798900000000 ] - [ 0.0012614200000000, 0.0003189200000000, -0.0013420400000000 ] - [ 0.0009907900000000, -0.0002753400000000, -0.0016972000000000 ] - [ -0.0005508700000000, -0.0009548800000000, -0.0011308100000000 ] - [ -0.0010953000000000, -0.0019665700000000, -0.0009437200000000 ] - [ 0.0002115900000000, -0.0008773400000000, -0.0006392400000000 ] - [ -0.0009988600000000, -0.0013213100000000, -0.0010159100000000 ] - [ -0.0012045900000000, 0.0017655500000000, -0.0011810800000000 ] - [ -0.0011633200000000, 0.0021939600000000, -0.0010507400000000 ] - [ -0.0006462300000000, 0.0010207800000000, -0.0010637800000000 ] - [ -0.0007231500000000, 0.0013495300000000, -0.0010025700000000 ] - [ 0.0011082600000000, -0.0000641000000000, -0.0009587900000000 ] - [ 0.0023893300000000, 0.0001522200000000, -0.0011651900000000 ] - [ 0.0007002800000000, -0.0002760000000000, -0.0012764400000000 ] - [ 0.0016618700000000, 0.0003106000000000, -0.0014795800000000 ] - [ 0.0002424400000000, -0.0014650000000000, -0.0010577400000000 ] - [ -0.0009477000000000, -0.0009171100000000, -0.0016012800000000 ] - [ -0.0007279500000000, -0.0005018600000000, -0.0019113700000000 ] - [ -0.0006161100000000, -0.0012183100000000, -0.0013394900000000 ] - [ -0.0004257400000000, -0.0004789600000000, 0.0010726900000000 ] - [ 0.0004284000000000, 0.0005689000000000, 0.0006891800000000 ] - [ -0.0139899000000000, 0.0010731900000000, 0.0123061700000000 ] - [ 0.0014314600000000, 0.0004063700000000, 0.0013439500000000 ] - [ 0.0004827400000000, -0.0002096500000000, 0.0008213400000000 ] - [ -0.0004301700000000, 0.0007553700000000, 0.0013407000000000 ] - [ -0.0004170600000000, -0.0000134600000000, 0.0011421500000000 ] - [ 0.0002754100000000, -0.0002985800000000, 0.0010070200000000 ] - [ -0.0113176600000000, -0.0004791300000000, -0.0055594400000000 ] - [ 0.0017935700000000, 0.0001266600000000, 0.0009435700000000 ] - [ -0.0000994300000000, -0.0001061600000000, 0.0004640500000000 ] - [ 0.0001411200000000, 0.0006801600000000, 0.0006159000000000 ] - [ -0.0002528700000000, -0.0000658500000000, 0.0017175000000000 ] - [ 0.0002302400000000, 0.0002944600000000, 0.0017810300000000 ] - [ 0.0018012300000000, -0.0025058300000000, 0.0059466200000000 ] - [ 0.0004187200000000, 0.0000508100000000, 0.0015664300000000 ] - [ 0.0005023400000000, -0.0003090100000000, 0.0024515000000000 ] - [ 0.0007163900000000, 0.0036865700000000, 0.0017105200000000 ] - [ 0.0005947100000000, 0.0020298000000000, 0.0018402400000000 ] - [ 0.0001755000000000, -0.0002759000000000, 0.0023918800000000 ] - [ 0.0006055500000000, -0.0012150000000000, 0.0019259900000000 ] - [ 0.0005090700000000, -0.0000725100000000, -0.0006763800000000 ] - [ -0.0000890100000000, -0.0000021000000000, -0.0004889200000000 ] - [ 0.0000769700000000, 0.0003164000000000, -0.0005796100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0303361500000000, 0.2636471400000000, 0.4158591000000000 ] - [ -0.0023058600000000, -0.0011797900000000, 0.0012203900000000 ] - [ -0.0014764400000000, -0.0007855300000000, 0.0021454300000000 ] - [ -0.0025434600000000, -0.0011356800000000, 0.0012908600000000 ] - [ 0.0012130200000000, -0.0018312100000000, 0.0037879300000000 ] - [ 0.0008994600000000, -0.0007264900000000, 0.0022325600000000 ] - [ 0.0021502600000000, -0.0012381900000000, 0.0007119000000000 ] - [ 0.0012763400000000, -0.0008218300000000, 0.0021326900000000 ] - [ -0.0010309000000000, 0.0020005500000000, 0.0037822300000000 ] - [ -0.0003504400000000, 0.0007168000000000, 0.0007633900000000 ] - [ -0.0000439500000000, 0.0013103300000000, 0.0021327600000000 ] - [ 0.0001676500000000, 0.0014232500000000, 0.0022332300000000 ] - [ -0.0020386200000000, -0.0010005300000000, 0.0016554700000000 ] - [ -0.0008352200000000, -0.0004414100000000, 0.0023230200000000 ] - [ -0.0025788400000000, -0.0014839600000000, 0.0010900600000000 ] - [ -0.0017393200000000, -0.0004987200000000, 0.0021228000000000 ] - [ 0.0010155300000000, -0.0006576900000000, 0.0021062100000000 ] - [ 0.0010964700000000, -0.0002232300000000, 0.0022884900000000 ] - [ 0.0018465100000000, -0.0011756100000000, 0.0014909700000000 ] - [ 0.0015744200000000, -0.0009889300000000, 0.0018594500000000 ] - [ 0.0001592000000000, 0.0023223300000000, 0.0014541700000000 ] - [ 0.0000798000000000, 0.0011019500000000, 0.0024603600000000 ] - [ -0.0010773400000000, 0.0027173300000000, -0.0007409300000000 ] - [ 0.0001197700000000, 0.0018407400000000, 0.0019481800000000 ] - [ -0.0018258200000000, -0.0007043700000000, 0.0021319500000000 ] - [ -0.0039463400000000, -0.0012937700000000, 0.0010978500000000 ] - [ -0.0011446700000000, -0.0004270600000000, 0.0023316600000000 ] - [ -0.0017867300000000, -0.0008148500000000, 0.0016596200000000 ] - [ 0.0022184200000000, -0.0021037700000000, -0.0007364600000000 ] - [ 0.0009696000000000, -0.0005144300000000, 0.0024663400000000 ] - [ 0.0013132400000000, -0.0009296900000000, 0.0019537700000000 ] - [ 0.0020584500000000, -0.0014698000000000, 0.0014599900000000 ] - [ 0.0014210800000000, 0.0018414000000000, 0.0023257000000000 ] - [ 0.0000845400000000, 0.0016969400000000, 0.0018639500000000 ] - [ 0.0003554200000000, 0.0025353500000000, 0.0014976900000000 ] - [ 0.0000053800000000, 0.0011766800000000, 0.0021104500000000 ] - [ -0.0002956100000000, 0.0010265300000000, -0.0024479400000000 ] - [ 0.0002440400000000, 0.0013474400000000, -0.0018625500000000 ] - [ -0.0020107500000000, 0.0015501800000000, -0.0019512000000000 ] - [ -0.0001315600000000, 0.0011976800000000, -0.0018260800000000 ] - [ -0.0471648900000000, -0.2205327100000000, -0.3203060000000000 ] - [ 0.0016663800000000, 0.0000360900000000, -0.0011681000000000 ] - [ 0.0010421800000000, -0.0003387200000000, -0.0017874700000000 ] - [ 0.0013734900000000, 0.0004097500000000, -0.0010554100000000 ] - [ -0.0005376600000000, -0.0012263200000000, -0.0009219700000000 ] - [ -0.0014909500000000, -0.0017663900000000, -0.0007457100000000 ] - [ -0.0004875200000000, -0.0008462100000000, -0.0011431800000000 ] - [ -0.0009176000000000, -0.0020958900000000, -0.0010727200000000 ] - [ -0.0006580900000000, 0.0011676800000000, -0.0010091300000000 ] - [ -0.0009295200000000, 0.0021078800000000, -0.0008452400000000 ] - [ -0.0023236500000000, 0.0021940000000000, -0.0007269300000000 ] - [ -0.0003716200000000, 0.0007040100000000, -0.0010646300000000 ] - [ 0.0016715800000000, -0.0001430100000000, -0.0011719300000000 ] - [ 0.0035991700000000, 0.0003434400000000, -0.0004422900000000 ] - [ 0.0010514700000000, 0.0000588300000000, -0.0012587200000000 ] - [ 0.0017292900000000, -0.0000877300000000, -0.0009387800000000 ] - [ 0.0013583500000000, -0.0005403400000000, -0.0032915500000000 ] - [ -0.0000759400000000, -0.0008087600000000, -0.0014425900000000 ] - [ -0.0006676700000000, -0.0006048700000000, -0.0018011700000000 ] - [ -0.0011178700000000, -0.0005762900000000, -0.0017934200000000 ] - [ 0.0000827900000000, 0.0009682400000000, -0.0016354700000000 ] - [ -0.0001601100000000, 0.0033827300000000, -0.0046032000000000 ] - [ -0.0004850900000000, 0.0012427900000000, -0.0010805700000000 ] - [ -0.0004377000000000, 0.0009570100000000, -0.0014532100000000 ] - [ 0.0012934000000000, -0.0000281100000000, -0.0012658700000000 ] - [ 0.0006549100000000, -0.0002912700000000, -0.0019985100000000 ] - [ 0.0012193600000000, 0.0004878000000000, -0.0004869800000000 ] - [ 0.0010580600000000, -0.0006111900000000, -0.0017652800000000 ] - [ 0.0026606000000000, -0.0024027200000000, -0.0014656600000000 ] - [ -0.0004885100000000, -0.0013233200000000, -0.0007721200000000 ] - [ -0.0006933300000000, -0.0008194200000000, -0.0009601900000000 ] - [ -0.0006763100000000, -0.0010927400000000, -0.0011275000000000 ] - [ -0.0020025100000000, -0.0016679600000000, -0.0015014400000000 ] - [ -0.0002537600000000, 0.0011146200000000, -0.0010851200000000 ] - [ -0.0008203000000000, 0.0022440900000000, -0.0008992100000000 ] - [ -0.0004076200000000, 0.0013957800000000, -0.0011053600000000 ] - [ -0.0019880200000000, -0.0405564300000000, -0.0800985700000000 ] - [ 0.0025643300000000, -0.0001589600000000, -0.0010349400000000 ] - [ 0.0014665600000000, -0.0000258300000000, -0.0010895400000000 ] - [ 0.0023391700000000, 0.0004841800000000, -0.0009736900000000 ] - [ -0.0004608300000000, -0.0011612900000000, -0.0010663700000000 ] - [ -0.0006913300000000, -0.0004635300000000, -0.0020978900000000 ] - [ -0.0001817900000000, -0.0016323500000000, 0.0007782300000000 ] - [ -0.0005772500000000, -0.0007990000000000, -0.0014575000000000 ] - [ -0.0008472500000000, 0.0014019100000000, -0.0002701300000000 ] - [ 0.0002106800000000, 0.0009078400000000, -0.0018846800000000 ] - [ -0.0002172300000000, 0.0010334700000000, -0.0016343900000000 ] - [ -0.0007391700000000, 0.0011957300000000, -0.0012407300000000 ] - [ 0.0011111100000000, -0.0004661000000000, -0.0016422900000000 ] - [ 0.0020244300000000, 0.0007109400000000, -0.0004340800000000 ] - [ 0.0008936300000000, -0.0007147000000000, -0.0017860000000000 ] - [ 0.0011703600000000, -0.0001076700000000, -0.0014208100000000 ] - [ -0.0010139600000000, -0.0017566800000000, -0.0008656900000000 ] - [ -0.0004579300000000, -0.0007260800000000, -0.0010544200000000 ] - [ -0.0017910200000000, -0.0018277100000000, -0.0013103100000000 ] - [ -0.0005585600000000, -0.0013849100000000, -0.0009817300000000 ] - [ -0.0003509800000000, 0.0009340000000000, -0.0008154700000000 ] - [ -0.0003979100000000, 0.0004889700000000, -0.0009366100000000 ] - [ -0.0009199600000000, 0.0016923600000000, -0.0009332400000000 ] - [ -0.0008386700000000, 0.0013547800000000, -0.0009964300000000 ] - [ 0.0020250900000000, 0.0000665300000000, -0.0010396400000000 ] - [ 0.0007236500000000, -0.0001524500000000, -0.0008281800000000 ] - [ 0.0024389100000000, 0.0002810200000000, -0.0007168900000000 ] - [ 0.0014697300000000, -0.0003262900000000, -0.0005157000000000 ] - [ -0.0016875700000000, -0.0001718900000000, -0.0020979000000000 ] - [ -0.0004601400000000, -0.0007579200000000, -0.0015196300000000 ] - [ -0.0006833700000000, -0.0011817800000000, -0.0012047700000000 ] - [ -0.0007971700000000, -0.0004527600000000, -0.0017842900000000 ] - [ 0.0004308600000000, 0.0004872500000000, 0.0003997400000000 ] - [ -0.0004334700000000, -0.0005793400000000, 0.0007878900000000 ] - [ 0.0135609700000000, -0.0007255900000000, -0.0105093900000000 ] - [ -0.0014552700000000, -0.0004109100000000, 0.0001263100000000 ] - [ -0.0004904900000000, 0.0002124900000000, 0.0006452400000000 ] - [ 0.0004381600000000, -0.0007834000000000, 0.0001394500000000 ] - [ 0.0004279300000000, 0.0000195900000000, 0.0003250100000000 ] - [ -0.0002844300000000, 0.0003077000000000, 0.0004618200000000 ] - [ 0.0114896600000000, 0.0004087700000000, 0.0071715700000000 ] - [ -0.0018203600000000, -0.0001342700000000, 0.0005429900000000 ] - [ 0.0001070200000000, 0.0000999500000000, 0.0010319600000000 ] - [ -0.0001443700000000, -0.0006874900000000, 0.0008796200000000 ] - [ 0.0002554500000000, 0.0000691600000000, 0.0018260600000000 ] - [ -0.0002325500000000, -0.0002986100000000, 0.0017613900000000 ] - [ -0.0018209800000000, 0.0025441500000000, -0.0024220400000000 ] - [ -0.0004254800000000, -0.0000507700000000, 0.0019785600000000 ] - [ -0.0005102300000000, 0.0003141300000000, 0.0025777800000000 ] - [ -0.0007084700000000, -0.0037087600000000, 0.0033125900000000 ] - [ -0.0006200000000000, -0.0020830300000000, 0.0031880200000000 ] - [ -0.0001792700000000, 0.0002827900000000, 0.0026365700000000 ] - [ -0.0005882400000000, 0.0012140100000000, -0.0031836000000000 ] - [ -0.0005221800000000, 0.0000705300000000, -0.0005554800000000 ] - [ 0.0000909400000000, 0.0000071000000000, -0.0007457400000000 ] - [ -0.0000784600000000, -0.0003197400000000, -0.0006548700000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0012417000000000, 0.0005092400000000, 0.0018311900000000 ] - [ -0.0021652200000000, -0.0012123600000000, 0.0012876000000000 ] - [ -0.0013854300000000, -0.0013081100000000, 0.0034861400000000 ] - [ -0.0021457100000000, -0.0009586000000000, 0.0016646100000000 ] - [ 0.1884340900000000, 0.0087196400000000, -0.1966852100000000 ] - [ 0.0006003100000000, -0.0002017400000000, 0.0025718200000000 ] - [ 0.0009957000000000, -0.0006544800000000, 0.0023930100000000 ] - [ 0.0017090400000000, -0.0011340200000000, 0.0017601400000000 ] - [ 0.0005581500000000, 0.0001481100000000, 0.0026694900000000 ] - [ 0.0001508000000000, 0.0020813000000000, 0.0017255700000000 ] - [ 0.0000318100000000, 0.0024729200000000, 0.0014711000000000 ] - [ 0.0001776900000000, 0.0023677500000000, 0.0021976900000000 ] - [ -0.0022947700000000, -0.0011695200000000, 0.0012770500000000 ] - [ -0.0019919400000000, -0.0011611800000000, 0.0023347600000000 ] - [ -0.0013749900000000, -0.0006336800000000, 0.0022226400000000 ] - [ -0.0016667400000000, -0.0007958000000000, 0.0017042800000000 ] - [ 0.0021580900000000, -0.0014571600000000, 0.0013181200000000 ] - [ 0.0002444100000000, -0.0003816100000000, 0.0031076800000000 ] - [ 0.0012191600000000, -0.0008150800000000, 0.0019779400000000 ] - [ 0.0018499600000000, -0.0012663700000000, 0.0016375700000000 ] - [ -0.0003259400000000, 0.0011938300000000, 0.0008033200000000 ] - [ 0.0000912500000000, 0.0013989500000000, 0.0021650800000000 ] - [ 0.0002089800000000, 0.0025702600000000, 0.0014833200000000 ] - [ 0.0001377900000000, 0.0016894400000000, 0.0019139500000000 ] - [ -0.0012818500000000, 0.0018006600000000, 0.0016755800000000 ] - [ -0.0023485900000000, -0.0011099500000000, 0.0014134500000000 ] - [ -0.0016478500000000, -0.0007683300000000, 0.0019323300000000 ] - [ -0.0013181500000000, -0.0007111500000000, 0.0019777700000000 ] - [ 0.0014774500000000, -0.0008660500000000, 0.0014945400000000 ] - [ 0.0013041400000000, -0.0008403000000000, 0.0021150100000000 ] - [ 0.0001395100000000, 0.0004727600000000, 0.0025238800000000 ] - [ 0.0017051700000000, -0.0011204800000000, 0.0015704700000000 ] - [ -0.0001743700000000, 0.0013655100000000, 0.0028149900000000 ] - [ -0.0000313900000000, 0.0010799300000000, 0.0022680200000000 ] - [ 0.0003018200000000, 0.0022196800000000, 0.0015527800000000 ] - [ 0.0000802100000000, 0.0017636700000000, 0.0018970700000000 ] - [ -0.2602129000000000, 0.0398688600000000, 0.2554118700000000 ] - [ 0.0003848700000000, 0.0010621200000000, -0.0021352400000000 ] - [ -0.0000088000000000, 0.0007316200000000, -0.0018517000000000 ] - [ -0.0004842000000000, 0.0011232400000000, -0.0014237900000000 ] - [ 0.0016744600000000, -0.0018510800000000, -0.0014502500000000 ] - [ 0.0013465000000000, 0.0004006000000000, -0.0011382400000000 ] - [ 0.0010634900000000, -0.0002575600000000, -0.0017910600000000 ] - [ 0.0013180600000000, -0.0000781900000000, -0.0013038500000000 ] - [ -0.0001060000000000, -0.0008468800000000, -0.0012093300000000 ] - [ -0.0004900600000000, -0.0010018300000000, -0.0006494900000000 ] - [ -0.0007978400000000, -0.0012732900000000, -0.0010102000000000 ] - [ -0.0010110700000000, -0.0017544900000000, -0.0010198100000000 ] - [ 0.0003081900000000, -0.0003821100000000, -0.0016773200000000 ] - [ -0.0006446000000000, 0.0017133100000000, -0.0008618900000000 ] - [ -0.0008445700000000, 0.0012941800000000, -0.0008416600000000 ] - [ -0.0006197100000000, 0.0011275600000000, -0.0010842500000000 ] - [ 0.0007170100000000, -0.0002381900000000, -0.0013993000000000 ] - [ 0.0024060500000000, -0.0001023600000000, -0.0009543800000000 ] - [ 0.0016430500000000, -0.0001370500000000, -0.0010964900000000 ] - [ 0.0012122600000000, -0.0000960300000000, -0.0009588700000000 ] - [ -0.0014655800000000, 0.0000396600000000, -0.0021448100000000 ] - [ -0.0004798300000000, -0.0009573200000000, -0.0013220100000000 ] - [ -0.0001501700000000, -0.0012642300000000, -0.0012182900000000 ] - [ -0.0007993500000000, -0.0008212400000000, -0.0012795200000000 ] - [ -0.0005645800000000, 0.0012947700000000, -0.0008100500000000 ] - [ 0.0007381300000000, 0.0011428700000000, -0.0028351900000000 ] - [ -0.0001631300000000, 0.0009972200000000, -0.0016032900000000 ] - [ -0.0006696900000000, 0.0009631500000000, -0.0011291000000000 ] - [ 0.0013912300000000, -0.0000642900000000, -0.0007905300000000 ] - [ 0.0013159400000000, 0.0003834700000000, -0.0019695000000000 ] - [ 0.0008859900000000, -0.0004518800000000, -0.0016602900000000 ] - [ 0.0012217900000000, -0.0002809400000000, -0.0014216600000000 ] - [ -0.0017604500000000, 0.0020750500000000, -0.0001314000000000 ] - [ -0.0005460800000000, -0.0015911100000000, -0.0009017500000000 ] - [ -0.0007942500000000, -0.0018571200000000, -0.0008694200000000 ] - [ -0.0007476800000000, -0.0012407800000000, -0.0011727700000000 ] - [ 0.0629052400000000, -0.0492615300000000, -0.0588613500000000 ] - [ 0.0002762600000000, 0.0007468200000000, -0.0009795900000000 ] - [ -0.0004653300000000, 0.0005810100000000, -0.0009623600000000 ] - [ -0.0008750300000000, 0.0015526500000000, -0.0009971900000000 ] - [ 0.0011157500000000, -0.0013887200000000, -0.0007822700000000 ] - [ 0.0021412400000000, 0.0000102600000000, -0.0008513100000000 ] - [ 0.0009950400000000, -0.0004761800000000, -0.0011480700000000 ] - [ 0.0020308200000000, 0.0002105700000000, -0.0010340200000000 ] - [ -0.0022037300000000, -0.0008127500000000, -0.0006838100000000 ] - [ -0.0004917000000000, -0.0005918100000000, -0.0017617900000000 ] - [ -0.0005697100000000, -0.0013113500000000, -0.0011717300000000 ] - [ -0.0007749200000000, -0.0007482500000000, -0.0015005900000000 ] - [ -0.0006713300000000, 0.0009134200000000, -0.0015909800000000 ] - [ -0.0001680900000000, 0.0010158900000000, -0.0017665500000000 ] - [ 0.0007388500000000, 0.0007084900000000, -0.0025683500000000 ] - [ -0.0005670900000000, 0.0011905800000000, -0.0014744800000000 ] - [ 0.0008953200000000, -0.0009741700000000, -0.0028443500000000 ] - [ 0.0014939000000000, 0.0001249800000000, -0.0012396900000000 ] - [ 0.0012015400000000, -0.0003876400000000, -0.0016531600000000 ] - [ 0.0009345700000000, -0.0002273800000000, -0.0016908600000000 ] - [ -0.0009224000000000, -0.0009785600000000, -0.0008366600000000 ] - [ -0.0004570700000000, -0.0009989800000000, -0.0009794500000000 ] - [ -0.0010205100000000, -0.0020968800000000, -0.0011220700000000 ] - [ -0.0007080800000000, -0.0012393100000000, -0.0009884300000000 ] - [ -0.0013384300000000, 0.0018985700000000, -0.0010660700000000 ] - [ 0.0001700900000000, 0.0002159100000000, -0.0013859700000000 ] - [ -0.0005483400000000, 0.0010910200000000, -0.0009523100000000 ] - [ -0.0011011500000000, 0.0016280400000000, -0.0010696000000000 ] - [ 0.0022676200000000, 0.0000454300000000, -0.0009483900000000 ] - [ 0.0017267200000000, 0.0006904500000000, -0.0019223500000000 ] - [ 0.0012381900000000, 0.0000825300000000, -0.0010920400000000 ] - [ 0.0017064800000000, -0.0002276700000000, -0.0009846700000000 ] - [ 0.0004942600000000, -0.0008634900000000, -0.0007663800000000 ] - [ -0.0006793000000000, -0.0004523800000000, -0.0018858800000000 ] - [ -0.0007198000000000, -0.0011577200000000, -0.0014032100000000 ] - [ -0.0006603100000000, -0.0008099500000000, -0.0016077200000000 ] - [ 0.0023641600000000, -0.0024863700000000, -0.0012386900000000 ] - [ -0.0007827600000000, 0.0000652500000000, 0.0006058400000000 ] - [ -0.0007504700000000, 0.0011093600000000, 0.0008907300000000 ] - [ 0.0001145600000000, -0.0004696400000000, 0.0005021800000000 ] - [ -0.0004155500000000, -0.0000844400000000, 0.0017878000000000 ] - [ -0.0008772200000000, -0.0005042500000000, 0.0009647400000000 ] - [ 0.0000799900000000, 0.0004043000000000, 0.0008119600000000 ] - [ -0.0000029500000000, 0.0001955800000000, 0.0008699700000000 ] - [ 0.0092281900000000, 0.0006647500000000, -0.0027975600000000 ] - [ -0.0009093000000000, -0.0001529800000000, 0.0007700800000000 ] - [ -0.0006826200000000, 0.0013150200000000, 0.0009606600000000 ] - [ 0.0001021900000000, -0.0003671300000000, 0.0007672700000000 ] - [ 0.0012867400000000, 0.0012059400000000, 0.0041720600000000 ] - [ -0.0004314300000000, 0.0000373900000000, 0.0018150500000000 ] - [ -0.0002575800000000, 0.0004682700000000, 0.0017210000000000 ] - [ 0.0000043200000000, -0.0003512700000000, 0.0018855500000000 ] - [ -0.0010204400000000, -0.0003527300000000, 0.0021146200000000 ] - [ -0.0019979000000000, -0.0009020900000000, 0.0020827000000000 ] - [ 0.0001232200000000, 0.0003143900000000, 0.0024531500000000 ] - [ 0.0000379100000000, 0.0002075400000000, 0.0024515500000000 ] - [ 0.0014976000000000, 0.0009489800000000, 0.0010788200000000 ] - [ -0.0004604000000000, -0.0000545300000000, -0.0006354700000000 ] - [ -0.0000863800000000, 0.0003854900000000, -0.0007119400000000 ] - [ -0.0000007700000000, -0.0002560800000000, -0.0005982300000000 ]- atom: 37 displacement: [ -0.0100000000000000, -0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0019813600000000, -0.0021111300000000, 0.0019369000000000 ] - [ -0.0010744700000000, -0.0003907400000000, 0.0024878400000000 ] - [ -0.0018404700000000, -0.0002707100000000, 0.0002903200000000 ] - [ -0.0010930300000000, -0.0006439700000000, 0.0021113300000000 ] - [ -0.1931005300000000, -0.0104959300000000, 0.2140738200000000 ] - [ 0.0023960100000000, -0.0017938800000000, 0.0012133900000000 ] - [ 0.0020063400000000, -0.0013474000000000, 0.0013882400000000 ] - [ 0.0012936000000000, -0.0008695700000000, 0.0020178300000000 ] - [ -0.0003370300000000, 0.0034386800000000, 0.0010972500000000 ] - [ 0.0000802700000000, 0.0015164200000000, 0.0020554300000000 ] - [ 0.0001999600000000, 0.0011326700000000, 0.0023051000000000 ] - [ 0.0000515600000000, 0.0012198900000000, 0.0015860700000000 ] - [ -0.0009611600000000, -0.0004478700000000, 0.0024364000000000 ] - [ -0.0012421500000000, -0.0004537900000000, 0.0013865500000000 ] - [ -0.0018770500000000, -0.0009814800000000, 0.0014948700000000 ] - [ -0.0015833200000000, -0.0008175500000000, 0.0020146800000000 ] - [ 0.0008682900000000, -0.0005521100000000, 0.0023983500000000 ] - [ 0.0027815300000000, -0.0016240900000000, 0.0006079100000000 ] - [ 0.0018007700000000, -0.0011926900000000, 0.0017434800000000 ] - [ 0.0011737100000000, -0.0007421800000000, 0.0020796400000000 ] - [ 0.0005427200000000, 0.0024392300000000, 0.0028882400000000 ] - [ 0.0001354600000000, 0.0022222300000000, 0.0015533900000000 ] - [ 0.0000185700000000, 0.0010485000000000, 0.0022374500000000 ] - [ 0.0000895900000000, 0.0019273600000000, 0.0018076600000000 ] - [ -0.0019598200000000, -0.0034557800000000, 0.0020838300000000 ] - [ -0.0009112100000000, -0.0004787100000000, 0.0023121300000000 ] - [ -0.0016100200000000, -0.0008191900000000, 0.0017962000000000 ] - [ -0.0019370400000000, -0.0008772200000000, 0.0017502300000000 ] - [ 0.0015277400000000, -0.0011575500000000, 0.0022306300000000 ] - [ 0.0016994000000000, -0.0011875100000000, 0.0016138700000000 ] - [ 0.0028566700000000, -0.0024926200000000, 0.0012077600000000 ] - [ 0.0012977000000000, -0.0009022100000000, 0.0021573200000000 ] - [ 0.0004203200000000, 0.0022389700000000, 0.0009053300000000 ] - [ 0.0002835000000000, 0.0025251700000000, 0.0014631000000000 ] - [ -0.0000490600000000, 0.0013939700000000, 0.0021740700000000 ] - [ 0.0001719000000000, 0.0018479500000000, 0.0018317800000000 ] - [ 0.2678611800000000, -0.0389513000000000, -0.2739670500000000 ] - [ -0.0010951800000000, 0.0010315500000000, -0.0009572600000000 ] - [ -0.0007049200000000, 0.0013622800000000, -0.0012362600000000 ] - [ -0.0002301200000000, 0.0009735600000000, -0.0016619000000000 ] - [ 0.0005000900000000, 0.0014201300000000, -0.0016288600000000 ] - [ 0.0008261000000000, -0.0008240600000000, -0.0019463700000000 ] - [ 0.0010973900000000, -0.0001836800000000, -0.0013044300000000 ] - [ 0.0008563600000000, -0.0003483800000000, -0.0017803700000000 ] - [ -0.0014548800000000, -0.0018006100000000, -0.0007959500000000 ] - [ -0.0010652800000000, -0.0016429500000000, -0.0013472100000000 ] - [ -0.0007658700000000, -0.0013787800000000, -0.0009922300000000 ] - [ -0.0005549100000000, -0.0008995400000000, -0.0009829600000000 ] - [ -0.0018153800000000, 0.0030588300000000, -0.0003352300000000 ] - [ -0.0008681500000000, 0.0009676200000000, -0.0011408200000000 ] - [ -0.0006721700000000, 0.0013891200000000, -0.0011607600000000 ] - [ -0.0008957100000000, 0.0015568000000000, -0.0009194100000000 ] - [ 0.0023387000000000, 0.0002380800000000, -0.0006054300000000 ] - [ 0.0006802900000000, 0.0000729000000000, -0.0010479200000000 ] - [ 0.0014401600000000, 0.0001080300000000, -0.0009059900000000 ] - [ 0.0018664500000000, 0.0000677700000000, -0.0010420600000000 ] - [ 0.0000092100000000, -0.0017010000000000, -0.0009407100000000 ] - [ -0.0009766100000000, -0.0007075400000000, -0.0017653700000000 ] - [ -0.0013024000000000, -0.0004042100000000, -0.0018667300000000 ] - [ -0.0006518500000000, -0.0008301900000000, -0.0018077600000000 ] - [ -0.0001773000000000, 0.0007844100000000, -0.0021384700000000 ] - [ -0.0014818400000000, 0.0009317400000000, -0.0001148300000000 ] - [ -0.0005744200000000, 0.0010813300000000, -0.0013525800000000 ] - [ -0.0000737700000000, 0.0011171300000000, -0.0018232200000000 ] - [ 0.0007804900000000, -0.0003326000000000, -0.0021566800000000 ] - [ 0.0008549500000000, -0.0007820700000000, -0.0009873900000000 ] - [ 0.0012849000000000, 0.0000556100000000, -0.0012930800000000 ] - [ 0.0009474800000000, -0.0001173300000000, -0.0015324500000000 ] - [ 0.0001698700000000, -0.0047102800000000, -0.0018685300000000 ] - [ -0.0010114400000000, -0.0010542800000000, -0.0010892200000000 ] - [ -0.0007660500000000, -0.0007945200000000, -0.0011198800000000 ] - [ -0.0007971700000000, -0.0013872800000000, -0.0008146900000000 ] - [ -0.0652304400000000, 0.0527619800000000, 0.0586879200000000 ] - [ -0.0017799600000000, 0.0019248100000000, -0.0010106300000000 ] - [ -0.0010475100000000, 0.0020925400000000, -0.0010291200000000 ] - [ -0.0006364000000000, 0.0011250400000000, -0.0009937900000000 ] - [ 0.0019512100000000, 0.0013546000000000, -0.0012102100000000 ] - [ 0.0009353600000000, -0.0000356300000000, -0.0011374700000000 ] - [ 0.0020671300000000, 0.0004430400000000, -0.0008331700000000 ] - [ 0.0010485600000000, -0.0002377500000000, -0.0009567800000000 ] - [ 0.0007848500000000, -0.0008732400000000, -0.0022307500000000 ] - [ -0.0009355300000000, -0.0010883600000000, -0.0011896000000000 ] - [ -0.0008592800000000, -0.0003676700000000, -0.0017828600000000 ] - [ -0.0006553200000000, -0.0009291300000000, -0.0014548000000000 ] - [ -0.0000761400000000, 0.0011469200000000, -0.0015250800000000 ] - [ -0.0005792200000000, 0.0010460000000000, -0.0013540400000000 ] - [ -0.0014798600000000, 0.0013511000000000, -0.0005567500000000 ] - [ -0.0001806500000000, 0.0008708900000000, -0.0016452000000000 ] - [ 0.0012460300000000, 0.0006096900000000, -0.0002730400000000 ] - [ 0.0006667300000000, -0.0005083500000000, -0.0018793600000000 ] - [ 0.0009578800000000, 0.0000027500000000, -0.0014679300000000 ] - [ 0.0012236700000000, -0.0001545700000000, -0.0014283500000000 ] - [ -0.0006405600000000, -0.0017349000000000, -0.0011533500000000 ] - [ -0.0011028600000000, -0.0017066700000000, -0.0010189300000000 ] - [ -0.0005419800000000, -0.0006075600000000, -0.0008763600000000 ] - [ -0.0008517300000000, -0.0014628100000000, -0.0010105600000000 ] - [ -0.0002245100000000, 0.0008105200000000, -0.0009327400000000 ] - [ -0.0017333800000000, 0.0024898500000000, -0.0006114500000000 ] - [ -0.0010122400000000, 0.0016139900000000, -0.0010468900000000 ] - [ -0.0004614800000000, 0.0010797800000000, -0.0009334700000000 ] - [ 0.0008631800000000, -0.0000435900000000, -0.0010484900000000 ] - [ 0.0013838300000000, -0.0006941500000000, -0.0000769300000000 ] - [ 0.0018887500000000, -0.0000809200000000, -0.0009061900000000 ] - [ 0.0014182300000000, 0.0002278400000000, -0.0010131800000000 ] - [ -0.0018954700000000, -0.0008115100000000, -0.0023384600000000 ] - [ -0.0007337100000000, -0.0012215000000000, -0.0012363700000000 ] - [ -0.0006918300000000, -0.0005212300000000, -0.0017158900000000 ] - [ -0.0007496400000000, -0.0008666700000000, -0.0015123700000000 ] - [ -0.0023203500000000, 0.0024688900000000, 0.0027694800000000 ] - [ 0.0007778200000000, -0.0000623800000000, 0.0008724200000000 ] - [ 0.0007498400000000, -0.0011078500000000, 0.0005904000000000 ] - [ -0.0001118700000000, 0.0004661400000000, 0.0009800400000000 ] - [ 0.0004203200000000, 0.0000815800000000, -0.0003198900000000 ] - [ 0.0008687200000000, 0.0005058100000000, 0.0004983600000000 ] - [ -0.0000813000000000, -0.0004027500000000, 0.0006539800000000 ] - [ 0.0000053800000000, -0.0001968600000000, 0.0005982100000000 ] - [ -0.0092366600000000, -0.0005400000000000, 0.0042559300000000 ] - [ 0.0009064900000000, 0.0001503400000000, 0.0007230800000000 ] - [ 0.0006826900000000, -0.0013085400000000, 0.0005324200000000 ] - [ -0.0001109200000000, 0.0003616200000000, 0.0007190200000000 ] - [ -0.0012674900000000, -0.0012022300000000, -0.0006293900000000 ] - [ 0.0004291700000000, -0.0000352300000000, 0.0017263400000000 ] - [ 0.0002567000000000, -0.0004663300000000, 0.0018196000000000 ] - [ -0.0000029800000000, 0.0003498500000000, 0.0016549700000000 ] - [ 0.0010962200000000, 0.0003618200000000, 0.0029337500000000 ] - [ 0.0019980800000000, 0.0009107100000000, 0.0029478900000000 ] - [ -0.0001240500000000, -0.0003120800000000, 0.0025757500000000 ] - [ -0.0000356400000000, -0.0002086400000000, 0.0025761800000000 ] - [ -0.0014981000000000, -0.0009573400000000, -0.0023301600000000 ] - [ 0.0004594000000000, 0.0000537500000000, -0.0005984500000000 ] - [ 0.0000876000000000, -0.0003826000000000, -0.0005220300000000 ] - [ -0.0000009000000000, 0.0002557600000000, -0.0006335900000000 ]- atom: 37 displacement: [ -0.0050000000336304, 0.0086602540184278, 0.0000000000000000 ] forces: - [ -0.0012865300000000, -0.0013978800000000, 0.0019242300000000 ] - [ -0.0016226200000000, -0.0007641500000000, 0.0019315100000000 ] - [ -0.0003002300000000, 0.0004232200000000, 0.0007222600000000 ] - [ -0.0014777400000000, -0.0008366700000000, 0.0018709600000000 ] - [ -0.0846869000000000, 0.0840162400000000, 0.0464379400000000 ] - [ 0.0018618900000000, -0.0012636400000000, 0.0016054300000000 ] - [ 0.0021233500000000, -0.0013795800000000, 0.0013176800000000 ] - [ 0.0014013900000000, -0.0009713700000000, 0.0019325600000000 ] - [ 0.0006442000000000, 0.0010431000000000, 0.0031738500000000 ] - [ 0.0000725800000000, 0.0015166900000000, 0.0021145900000000 ] - [ 0.0001965500000000, 0.0015296800000000, 0.0019179400000000 ] - [ 0.0000318600000000, 0.0013837900000000, 0.0022259500000000 ] - [ -0.0012347400000000, -0.0005799700000000, 0.0022527400000000 ] - [ -0.0015447400000000, -0.0014113800000000, 0.0012991400000000 ] - [ -0.0020616200000000, -0.0009748000000000, 0.0015369000000000 ] - [ -0.0016013100000000, -0.0008162800000000, 0.0019347100000000 ] - [ 0.0010705700000000, -0.0006497000000000, 0.0020423800000000 ] - [ 0.0024293000000000, -0.0014089900000000, 0.0009180500000000 ] - [ 0.0017170100000000, -0.0011605700000000, 0.0017712300000000 ] - [ 0.0014508400000000, -0.0008334400000000, 0.0018283700000000 ] - [ 0.0000961600000000, 0.0015831900000000, 0.0019334000000000 ] - [ 0.0001230100000000, 0.0021670300000000, 0.0015766600000000 ] - [ 0.0000492500000000, 0.0012128400000000, 0.0021454700000000 ] - [ 0.0000769300000000, 0.0015952100000000, 0.0020500900000000 ] - [ -0.0007862700000000, 0.0013471900000000, -0.0000887300000000 ] - [ -0.0011403600000000, -0.0005560900000000, 0.0021487100000000 ] - [ -0.0015188600000000, -0.0008071600000000, 0.0019001300000000 ] - [ -0.0021503000000000, -0.0009727200000000, 0.0016338500000000 ] - [ 0.0015627700000000, -0.0014492000000000, 0.0018931000000000 ] - [ 0.0016492100000000, -0.0011400700000000, 0.0016582200000000 ] - [ 0.0020062200000000, -0.0015784900000000, 0.0017313300000000 ] - [ 0.0011676100000000, -0.0006305700000000, 0.0022894400000000 ] - [ 0.0004354200000000, 0.0028759100000000, 0.0014435800000000 ] - [ 0.0001605900000000, 0.0021759400000000, 0.0017148700000000 ] - [ -0.0001180600000000, 0.0013234400000000, 0.0021957200000000 ] - [ 0.0001028800000000, 0.0015482300000000, 0.0019669900000000 ] - [ 0.1669126200000000, -0.0949467900000000, -0.1387841400000000 ] - [ -0.0007126100000000, 0.0009433400000000, -0.0013111300000000 ] - [ -0.0008013500000000, 0.0012932800000000, -0.0011543700000000 ] - [ -0.0002295300000000, 0.0012023700000000, -0.0016139400000000 ] - [ 0.0007287700000000, 0.0004344100000000, -0.0015535500000000 ] - [ 0.0011566500000000, -0.0003517100000000, -0.0015643600000000 ] - [ 0.0002805300000000, 0.0002057300000000, -0.0016216500000000 ] - [ 0.0010385700000000, -0.0001676200000000, -0.0015713500000000 ] - [ -0.0010034500000000, -0.0016329600000000, -0.0009676900000000 ] - [ -0.0013377900000000, -0.0022442800000000, -0.0015240000000000 ] - [ -0.0006299300000000, -0.0010836300000000, -0.0009745000000000 ] - [ -0.0005327000000000, -0.0008367400000000, -0.0010077400000000 ] - [ -0.0012711700000000, 0.0016420300000000, -0.0007074600000000 ] - [ -0.0006895300000000, 0.0007635600000000, -0.0011607700000000 ] - [ -0.0007682000000000, 0.0016885100000000, -0.0011297300000000 ] - [ -0.0007946400000000, 0.0016029200000000, -0.0009563800000000 ] - [ 0.0023217400000000, -0.0009797400000000, -0.0013856800000000 ] - [ 0.0009595300000000, 0.0000169700000000, -0.0010387000000000 ] - [ 0.0013697200000000, 0.0001223800000000, -0.0009506500000000 ] - [ 0.0020361600000000, 0.0001494900000000, -0.0009908400000000 ] - [ -0.0009529400000000, -0.0002879300000000, -0.0021799900000000 ] - [ -0.0009101600000000, -0.0006723600000000, -0.0017622700000000 ] - [ -0.0010573800000000, -0.0007241800000000, -0.0015978300000000 ] - [ 0.0000981000000000, -0.0003734500000000, -0.0017261600000000 ] - [ -0.0001365700000000, 0.0008642600000000, -0.0017388000000000 ] - [ -0.0012026200000000, 0.0008431600000000, -0.0003703400000000 ] - [ -0.0004845000000000, 0.0011260800000000, -0.0013809100000000 ] - [ -0.0003237900000000, 0.0012916400000000, -0.0017184700000000 ] - [ 0.0008581800000000, -0.0003932300000000, -0.0018386700000000 ] - [ 0.0019392200000000, -0.0000225100000000, -0.0012512000000000 ] - [ 0.0012212700000000, 0.0001210500000000, -0.0011673000000000 ] - [ 0.0009676700000000, -0.0000779600000000, -0.0014847300000000 ] - [ 0.0009222500000000, 0.0000909100000000, -0.0002815000000000 ] - [ -0.0008577200000000, -0.0010647800000000, -0.0010806800000000 ] - [ -0.0009705900000000, -0.0010635100000000, -0.0009967900000000 ] - [ -0.0001329200000000, -0.0006456600000000, -0.0006180500000000 ] - [ -0.0827828700000000, 0.0127175500000000, 0.0898790900000000 ] - [ -0.0011201300000000, 0.0015165700000000, -0.0009370800000000 ] - [ -0.0011551300000000, 0.0021712400000000, -0.0010245200000000 ] - [ -0.0006067600000000, 0.0014269200000000, -0.0010470000000000 ] - [ 0.0012129500000000, 0.0006702600000000, -0.0010776700000000 ] - [ 0.0015675400000000, 0.0000330600000000, -0.0010423400000000 ] - [ 0.0006964700000000, 0.0002919100000000, -0.0004824100000000 ] - [ 0.0015259200000000, -0.0001874300000000, -0.0009730700000000 ] - [ -0.0012034800000000, -0.0013159700000000, -0.0024004900000000 ] - [ -0.0007780900000000, -0.0010433700000000, -0.0011796900000000 ] - [ -0.0008967300000000, -0.0004692700000000, -0.0017296500000000 ] - [ -0.0006723000000000, -0.0006746100000000, -0.0016159000000000 ] - [ -0.0002915700000000, 0.0013018500000000, -0.0014634900000000 ] - [ -0.0005124100000000, 0.0011040800000000, -0.0014302800000000 ] - [ -0.0008327600000000, 0.0010487700000000, -0.0011950700000000 ] - [ -0.0000575900000000, 0.0009031800000000, -0.0018347100000000 ] - [ 0.0017305100000000, -0.0013832600000000, -0.0013909500000000 ] - [ 0.0008499400000000, -0.0004462300000000, -0.0017829100000000 ] - [ 0.0009157400000000, -0.0000419700000000, -0.0015653700000000 ] - [ 0.0012866500000000, 0.0000626500000000, -0.0012944500000000 ] - [ -0.0010163100000000, -0.0012857700000000, -0.0013134800000000 ] - [ -0.0009420500000000, -0.0016426000000000, -0.0009658100000000 ] - [ -0.0006399900000000, -0.0007896400000000, -0.0009479600000000 ] - [ -0.0006259700000000, -0.0011492300000000, -0.0010179800000000 ] - [ -0.0003741500000000, 0.0009660200000000, -0.0008621800000000 ] - [ -0.0014752600000000, 0.0021227900000000, -0.0006665600000000 ] - [ -0.0009647800000000, 0.0015556500000000, -0.0010530500000000 ] - [ -0.0006228300000000, 0.0014058300000000, -0.0010072200000000 ] - [ 0.0010920600000000, -0.0000388400000000, -0.0010505100000000 ] - [ 0.0019459100000000, -0.0006789100000000, -0.0017492600000000 ] - [ 0.0019890400000000, 0.0000420500000000, -0.0009249600000000 ] - [ 0.0014396300000000, 0.0002057700000000, -0.0009765400000000 ] - [ -0.0017822000000000, -0.0011969300000000, -0.0022529200000000 ] - [ -0.0006433800000000, -0.0010313800000000, -0.0014408000000000 ] - [ -0.0007833900000000, -0.0005330600000000, -0.0017815500000000 ] - [ -0.0007250000000000, -0.0006922300000000, -0.0016580600000000 ] - [ -0.0004450200000000, -0.0022200900000000, 0.0038285600000000 ] - [ 0.0003902600000000, 0.0000652500000000, 0.0008070400000000 ] - [ 0.0006297500000000, -0.0008741200000000, 0.0006124200000000 ] - [ -0.0005656200000000, -0.0002111200000000, 0.0004555600000000 ] - [ 0.0001916300000000, 0.0007435200000000, 0.0008217700000000 ] - [ 0.0003150100000000, 0.0007492800000000, 0.0009499400000000 ] - [ 0.0000173700000000, -0.0005438000000000, 0.0007345000000000 ] - [ -0.0000422300000000, -0.0005787300000000, 0.0007244800000000 ] - [ -0.0030359800000000, -0.0024030300000000, 0.0047141000000000 ] - [ 0.0003586300000000, 0.0000172200000000, 0.0007919900000000 ] - [ 0.0010582200000000, -0.0010160400000000, 0.0003056300000000 ] - [ -0.0006406800000000, -0.0001374800000000, 0.0005462900000000 ] - [ -0.0001772200000000, 0.0008578500000000, 0.0020136900000000 ] - [ 0.0001978100000000, 0.0000354800000000, 0.0017542600000000 ] - [ 0.0002776400000000, -0.0003880500000000, 0.0018134100000000 ] - [ -0.0002290800000000, -0.0000337000000000, 0.0018352000000000 ] - [ 0.0002132500000000, 0.0006770500000000, 0.0024474000000000 ] - [ 0.0014724400000000, 0.0009421000000000, 0.0028360900000000 ] - [ 0.0000167700000000, -0.0004373200000000, 0.0025143500000000 ] - [ -0.0000707900000000, -0.0004907200000000, 0.0025317900000000 ] - [ -0.0008577800000000, -0.0003171000000000, -0.0019153800000000 ] - [ 0.0002071300000000, 0.0000117300000000, -0.0006284600000000 ] - [ 0.0003152400000000, -0.0003477300000000, -0.0004651300000000 ] - [ -0.0002541900000000, -0.0000379500000000, -0.0005615600000000 ]- atom: 37 displacement: [ 0.0050000000336304, -0.0086602540184278, 0.0000000000000000 ] forces: - [ -0.0019501500000000, -0.0001979100000000, 0.0018469300000000 ] - [ -0.0016134000000000, -0.0008363800000000, 0.0018473600000000 ] - [ -0.0029691300000000, -0.0020812400000000, 0.0031231900000000 ] - [ -0.0017606300000000, -0.0007640700000000, 0.0019068200000000 ] - [ 0.0871779700000000, -0.0865164500000000, -0.0417471800000000 ] - [ 0.0011370600000000, -0.0007351600000000, 0.0021781500000000 ] - [ 0.0008720200000000, -0.0006184500000000, 0.0024694900000000 ] - [ 0.0016019400000000, -0.0010321600000000, 0.0018453700000000 ] - [ -0.0004243700000000, 0.0025607700000000, 0.0005871700000000 ] - [ 0.0001587400000000, 0.0020837300000000, 0.0016637200000000 ] - [ 0.0000344400000000, 0.0020752400000000, 0.0018619100000000 ] - [ 0.0002033200000000, 0.0022304800000000, 0.0015568600000000 ] - [ -0.0020216300000000, -0.0010358100000000, 0.0014616300000000 ] - [ -0.0017024200000000, -0.0002098900000000, 0.0024209700000000 ] - [ -0.0011856700000000, -0.0006374900000000, 0.0021846700000000 ] - [ -0.0016494400000000, -0.0007967400000000, 0.0017838500000000 ] - [ 0.0019577500000000, -0.0013616800000000, 0.0016739900000000 ] - [ 0.0005898100000000, -0.0005949400000000, 0.0028030900000000 ] - [ 0.0013018100000000, -0.0008465900000000, 0.0019504800000000 ] - [ 0.0015737500000000, -0.0011781700000000, 0.0018893500000000 ] - [ 0.0001190700000000, 0.0020171800000000, 0.0017793200000000 ] - [ 0.0001039400000000, 0.0014512900000000, 0.0021438100000000 ] - [ 0.0001795300000000, 0.0024122500000000, 0.0015726800000000 ] - [ 0.0001509600000000, 0.0020256400000000, 0.0016682800000000 ] - [ -0.0024292700000000, -0.0030402400000000, 0.0038352500000000 ] - [ -0.0021210900000000, -0.0010331500000000, 0.0015770400000000 ] - [ -0.0017405300000000, -0.0007801600000000, 0.0018278800000000 ] - [ -0.0010982400000000, -0.0006130400000000, 0.0020981600000000 ] - [ 0.0014375600000000, -0.0005740400000000, 0.0018348900000000 ] - [ 0.0013529000000000, -0.0008866500000000, 0.0020724600000000 ] - [ 0.0009885500000000, -0.0004404700000000, 0.0020020500000000 ] - [ 0.0018376300000000, -0.0013966700000000, 0.0014354500000000 ] - [ -0.0001902500000000, 0.0007348400000000, 0.0022820500000000 ] - [ 0.0000913100000000, 0.0014301900000000, 0.0020162600000000 ] - [ 0.0003737800000000, 0.0022943200000000, 0.0015284100000000 ] - [ 0.0001497900000000, 0.0020668300000000, 0.0017605600000000 ] - [ -0.1653529200000000, 0.0972672600000000, 0.1327370800000000 ] - [ 0.0000014300000000, 0.0011516700000000, -0.0017792000000000 ] - [ 0.0000922000000000, 0.0007986300000000, -0.0019375100000000 ] - [ -0.0004863200000000, 0.0008919400000000, -0.0014711900000000 ] - [ 0.0014514800000000, -0.0008724000000000, -0.0015277200000000 ] - [ 0.0010133900000000, -0.0000744800000000, -0.0015222400000000 ] - [ 0.0019007500000000, -0.0006527400000000, -0.0014753700000000 ] - [ 0.0011347700000000, -0.0002601800000000, -0.0015137200000000 ] - [ -0.0005580900000000, -0.0010145300000000, -0.0010366000000000 ] - [ -0.0002243800000000, -0.0004061400000000, -0.0004713500000000 ] - [ -0.0009361200000000, -0.0015719600000000, -0.0010285100000000 ] - [ -0.0010360500000000, -0.0018218300000000, -0.0009952200000000 ] - [ -0.0002363000000000, 0.0010327700000000, -0.0013004500000000 ] - [ -0.0008254500000000, 0.0019229300000000, -0.0008414300000000 ] - [ -0.0007454200000000, 0.0009877200000000, -0.0008710900000000 ] - [ -0.0007211700000000, 0.0010790000000000, -0.0010475200000000 ] - [ 0.0007372500000000, 0.0009824100000000, -0.0006244400000000 ] - [ 0.0021277500000000, -0.0000457800000000, -0.0009633300000000 ] - [ 0.0017154100000000, -0.0001526400000000, -0.0010523300000000 ] - [ 0.0010366200000000, -0.0001801900000000, -0.0010108600000000 ] - [ -0.0005014000000000, -0.0013832000000000, -0.0008981400000000 ] - [ -0.0005448800000000, -0.0009942100000000, -0.0013227800000000 ] - [ -0.0003938500000000, -0.0009421100000000, -0.0014887700000000 ] - [ -0.0015555500000000, -0.0012892100000000, -0.0013531400000000 ] - [ -0.0006071700000000, 0.0012156900000000, -0.0012106100000000 ] - [ 0.0004638000000000, 0.0012350600000000, -0.0025855000000000 ] - [ -0.0002528700000000, 0.0009515800000000, -0.0015752800000000 ] - [ -0.0004200100000000, 0.0007842900000000, -0.0012301400000000 ] - [ 0.0013128400000000, -0.0000027000000000, -0.0011095000000000 ] - [ 0.0002383300000000, -0.0003681700000000, -0.0017040100000000 ] - [ 0.0009476100000000, -0.0005218800000000, -0.0017895100000000 ] - [ 0.0012023400000000, -0.0003215600000000, -0.0014694200000000 ] - [ -0.0024930000000000, -0.0027518600000000, -0.0017010100000000 ] - [ -0.0007006000000000, -0.0015830200000000, -0.0009095000000000 ] - [ -0.0005863200000000, -0.0015884000000000, -0.0009934400000000 ] - [ -0.0014191500000000, -0.0019955600000000, -0.0013713900000000 ] - [ 0.0795317400000000, -0.0099306500000000, -0.0898178900000000 ] - [ -0.0003881100000000, 0.0011578900000000, -0.0010541300000000 ] - [ -0.0003535200000000, 0.0004944500000000, -0.0009665600000000 ] - [ -0.0009067100000000, 0.0012493300000000, -0.0009433500000000 ] - [ 0.0018658400000000, -0.0007132400000000, -0.0009135100000000 ] - [ 0.0015054300000000, -0.0000595200000000, -0.0009468200000000 ] - [ 0.0024013700000000, -0.0003178200000000, -0.0015154000000000 ] - [ 0.0015511700000000, 0.0001617200000000, -0.0010173200000000 ] - [ -0.0002418300000000, -0.0003555700000000, -0.0005543600000000 ] - [ -0.0006496500000000, -0.0006350500000000, -0.0017741800000000 ] - [ -0.0005305800000000, -0.0012129300000000, -0.0012221100000000 ] - [ -0.0007581600000000, -0.0010055800000000, -0.0013369100000000 ] - [ -0.0004557000000000, 0.0007548500000000, -0.0016543200000000 ] - [ -0.0002341200000000, 0.0009567100000000, -0.0016912400000000 ] - [ 0.0000934100000000, 0.0010138000000000, -0.0019345900000000 ] - [ -0.0006930800000000, 0.0011592400000000, -0.0012838300000000 ] - [ 0.0004175600000000, 0.0010391100000000, -0.0017319500000000 ] - [ 0.0013109200000000, 0.0000642700000000, -0.0013357300000000 ] - [ 0.0012452800000000, -0.0003438100000000, -0.0015554900000000 ] - [ 0.0008688400000000, -0.0004485400000000, -0.0018293700000000 ] - [ -0.0005388400000000, -0.0014053900000000, -0.0006840700000000 ] - [ -0.0006176800000000, -0.0010609200000000, -0.0010329600000000 ] - [ -0.0009229300000000, -0.0019209500000000, -0.0010511500000000 ] - [ -0.0009369700000000, -0.0015569000000000, -0.0009811000000000 ] - [ -0.0011920400000000, 0.0017444800000000, -0.0011384700000000 ] - [ -0.0000842100000000, 0.0005792000000000, -0.0013331300000000 ] - [ -0.0005951600000000, 0.0011490100000000, -0.0009458300000000 ] - [ -0.0009446600000000, 0.0013000600000000, -0.0009921800000000 ] - [ 0.0020391400000000, 0.0000406300000000, -0.0009463900000000 ] - [ 0.0011771900000000, 0.0006813600000000, -0.0002642400000000 ] - [ 0.0011335300000000, -0.0000414200000000, -0.0010740900000000 ] - [ 0.0016866500000000, -0.0002070000000000, -0.0010218200000000 ] - [ 0.0003794700000000, -0.0004804100000000, -0.0008601400000000 ] - [ -0.0007691200000000, -0.0006428300000000, -0.0016814200000000 ] - [ -0.0006272600000000, -0.0011484000000000, -0.0013364700000000 ] - [ -0.0006852800000000, -0.0009862400000000, -0.0014610000000000 ] - [ 0.0004858900000000, 0.0021553700000000, -0.0023335300000000 ] - [ -0.0003955600000000, -0.0000647900000000, 0.0006705100000000 ] - [ -0.0006365400000000, 0.0008820600000000, 0.0008696500000000 ] - [ 0.0005735200000000, 0.0002133800000000, 0.0010283100000000 ] - [ -0.0001890100000000, -0.0007498800000000, 0.0006514500000000 ] - [ -0.0003220200000000, -0.0007520800000000, 0.0005164200000000 ] - [ -0.0000190800000000, 0.0005510900000000, 0.0007320300000000 ] - [ 0.0000448800000000, 0.0005846100000000, 0.0007443100000000 ] - [ 0.0029763800000000, 0.0027189900000000, -0.0032985900000000 ] - [ -0.0003607800000000, -0.0000183100000000, 0.0006994500000000 ] - [ -0.0010722600000000, 0.0010312500000000, 0.0011928200000000 ] - [ 0.0006425700000000, 0.0001371400000000, 0.0009428100000000 ] - [ 0.0001850700000000, -0.0008482400000000, 0.0015367100000000 ] - [ -0.0002003200000000, -0.0000341900000000, 0.0017871900000000 ] - [ -0.0002808700000000, 0.0003925900000000, 0.0017268100000000 ] - [ 0.0002328400000000, 0.0000346000000000, 0.0017046600000000 ] - [ -0.0002293000000000, -0.0006814300000000, 0.0025717500000000 ] - [ -0.0014784300000000, -0.0009429600000000, 0.0021950600000000 ] - [ -0.0000178900000000, 0.0004440000000000, 0.0025139200000000 ] - [ 0.0000739300000000, 0.0004966100000000, 0.0024954900000000 ] - [ 0.0008584500000000, 0.0003175600000000, 0.0006858800000000 ] - [ -0.0002081600000000, -0.0000117300000000, -0.0006049200000000 ] - [ -0.0003171000000000, 0.0003517100000000, -0.0007709800000000 ] - [ 0.0002554800000000, 0.0000382800000000, -0.0006709200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011566700000000, -0.0017304900000000, 0.0027823100000000 ] - [ -0.0013194500000000, -0.0006044600000000, 0.0022086900000000 ] - [ -0.0008087000000000, 0.0003210700000000, 0.0022893500000000 ] - [ -0.0010581400000000, -0.0006571800000000, 0.0021696000000000 ] - [ -0.2121600700000000, -0.0649607000000000, 0.3208726000000000 ] - [ 0.0020910800000000, -0.0014520000000000, 0.0014027200000000 ] - [ 0.0019091400000000, -0.0012751500000000, 0.0015153500000000 ] - [ 0.0013854000000000, -0.0008661300000000, 0.0021336600000000 ] - [ 0.0008140500000000, 0.0017893600000000, 0.0036336400000000 ] - [ 0.0000449400000000, 0.0014318700000000, 0.0021458000000000 ] - [ 0.0001168300000000, 0.0013267700000000, 0.0021400600000000 ] - [ 0.0002823100000000, 0.0006333200000000, 0.0017898500000000 ] - [ -0.0011586900000000, -0.0006772500000000, 0.0021830800000000 ] - [ -0.0025384000000000, -0.0004557000000000, 0.0005676300000000 ] - [ -0.0019667800000000, -0.0010013400000000, 0.0015400500000000 ] - [ -0.0016517600000000, -0.0008445500000000, 0.0019328100000000 ] - [ 0.0011725500000000, -0.0007395100000000, 0.0020827200000000 ] - [ 0.0028353100000000, -0.0013854500000000, 0.0007352100000000 ] - [ 0.0018013100000000, -0.0011928900000000, 0.0017211400000000 ] - [ 0.0017241900000000, -0.0014099700000000, 0.0019437600000000 ] - [ 0.0005019200000000, 0.0033522400000000, 0.0023855200000000 ] - [ 0.0000999600000000, 0.0022389600000000, 0.0015043600000000 ] - [ 0.0000720300000000, 0.0013398800000000, 0.0020832900000000 ] - [ 0.0000709100000000, 0.0019034200000000, 0.0018188300000000 ] - [ -0.0013091200000000, -0.0039783400000000, 0.0049722300000000 ] - [ -0.0011583800000000, -0.0006218900000000, 0.0020234900000000 ] - [ -0.0015423500000000, -0.0007534800000000, 0.0018404900000000 ] - [ -0.0024660400000000, -0.0009733000000000, 0.0014722700000000 ] - [ 0.0013145900000000, -0.0010173300000000, 0.0021535800000000 ] - [ 0.0016280300000000, -0.0011578900000000, 0.0016542300000000 ] - [ 0.0032167300000000, -0.0030002500000000, 0.0008854100000000 ] - [ 0.0008598500000000, -0.0008593800000000, 0.0023860500000000 ] - [ 0.0011877900000000, 0.0026567200000000, -0.0003733700000000 ] - [ 0.0002838900000000, 0.0022632000000000, 0.0014571600000000 ] - [ 0.0001079500000000, 0.0010754500000000, 0.0024832400000000 ] - [ 0.0001631300000000, 0.0017669600000000, 0.0018462000000000 ] - [ 0.2740358200000000, -0.0025741500000000, -0.3436495000000000 ] - [ -0.0009482100000000, 0.0009771300000000, -0.0011997200000000 ] - [ -0.0006671100000000, 0.0013231500000000, -0.0013509100000000 ] - [ -0.0002380200000000, 0.0010341100000000, -0.0017875500000000 ] - [ 0.0004445000000000, 0.0008554000000000, -0.0024730800000000 ] - [ 0.0010314100000000, -0.0005576200000000, -0.0018279000000000 ] - [ 0.0008913000000000, -0.0004147300000000, -0.0026472000000000 ] - [ 0.0008653200000000, -0.0003433500000000, -0.0018457600000000 ] - [ -0.0014125000000000, -0.0016570300000000, -0.0009250200000000 ] - [ -0.0002534500000000, -0.0029297700000000, -0.0003330800000000 ] - [ -0.0007627300000000, -0.0013169000000000, -0.0010100800000000 ] - [ -0.0004937900000000, -0.0007233600000000, -0.0011043200000000 ] - [ -0.0025083300000000, 0.0035004600000000, -0.0005508100000000 ] - [ -0.0005579900000000, 0.0009016200000000, -0.0012521100000000 ] - [ -0.0006111000000000, 0.0011960300000000, -0.0010896000000000 ] - [ -0.0008362500000000, 0.0015466100000000, -0.0009531600000000 ] - [ 0.0003545700000000, 0.0007576600000000, -0.0007048700000000 ] - [ 0.0011347000000000, 0.0000152600000000, -0.0011254300000000 ] - [ 0.0013776900000000, 0.0000729300000000, -0.0009306100000000 ] - [ 0.0023270100000000, 0.0003553100000000, -0.0011202700000000 ] - [ -0.0008041400000000, -0.0007734800000000, -0.0024723300000000 ] - [ -0.0009382600000000, -0.0006778000000000, -0.0018460900000000 ] - [ -0.0011130400000000, -0.0005864500000000, -0.0018282500000000 ] - [ -0.0004074900000000, -0.0009339100000000, -0.0026532700000000 ] - [ -0.0002832800000000, 0.0007696100000000, -0.0016674700000000 ] - [ -0.0013761100000000, 0.0008852500000000, -0.0001045400000000 ] - [ -0.0005768100000000, 0.0010712100000000, -0.0013162800000000 ] - [ -0.0003982000000000, 0.0011337300000000, -0.0015068100000000 ] - [ 0.0008602600000000, -0.0002530000000000, -0.0018133200000000 ] - [ 0.0003823000000000, -0.0007066600000000, 0.0002298400000000 ] - [ 0.0012053200000000, 0.0001071000000000, -0.0011676900000000 ] - [ 0.0009860100000000, -0.0000869100000000, -0.0014580100000000 ] - [ 0.0015931100000000, -0.0002938100000000, -0.0015267400000000 ] - [ -0.0009389000000000, -0.0009689400000000, -0.0010865600000000 ] - [ -0.0007847200000000, -0.0009463300000000, -0.0010783200000000 ] - [ -0.0015925300000000, -0.0015616200000000, -0.0012871800000000 ] - [ -0.0566665200000000, 0.0647823400000000, 0.0098295100000000 ] - [ -0.0013292600000000, 0.0017262200000000, -0.0009539100000000 ] - [ -0.0009893200000000, 0.0019286900000000, -0.0010470800000000 ] - [ -0.0007115700000000, 0.0012108000000000, -0.0010736100000000 ] - [ 0.0009582400000000, 0.0020873700000000, -0.0012627900000000 ] - [ 0.0012484400000000, -0.0000292300000000, -0.0011105500000000 ] - [ 0.0015616100000000, -0.0002930600000000, -0.0010751700000000 ] - [ 0.0010027500000000, -0.0002210700000000, -0.0009892000000000 ] - [ 0.0003970800000000, -0.0016706800000000, -0.0014501200000000 ] - [ -0.0008512900000000, -0.0010709500000000, -0.0010968500000000 ] - [ -0.0008118300000000, -0.0005243100000000, -0.0016040500000000 ] - [ -0.0006169600000000, -0.0008899900000000, -0.0014233200000000 ] - [ -0.0000279700000000, 0.0009512100000000, -0.0015863700000000 ] - [ -0.0004995700000000, 0.0010709600000000, -0.0013992800000000 ] - [ -0.0017323000000000, 0.0015228000000000, -0.0001916900000000 ] - [ 0.0002891800000000, 0.0011081300000000, -0.0017490700000000 ] - [ 0.0001604400000000, -0.0005530700000000, -0.0015181600000000 ] - [ 0.0008243000000000, -0.0003996100000000, -0.0016881100000000 ] - [ 0.0009390700000000, -0.0000847800000000, -0.0015071400000000 ] - [ 0.0013769700000000, -0.0000327400000000, -0.0011820700000000 ] - [ -0.0008990300000000, -0.0021038200000000, -0.0007305600000000 ] - [ -0.0010399500000000, -0.0017018000000000, -0.0009672800000000 ] - [ -0.0006314400000000, -0.0008741100000000, -0.0008438100000000 ] - [ -0.0008027900000000, -0.0014296700000000, -0.0009777000000000 ] - [ -0.0004801300000000, 0.0009530100000000, -0.0007562800000000 ] - [ -0.0016768500000000, 0.0022632200000000, -0.0006161500000000 ] - [ -0.0010110400000000, 0.0016017800000000, -0.0010136800000000 ] - [ -0.0005021600000000, 0.0017723400000000, -0.0005572800000000 ] - [ 0.0010672100000000, 0.0000202800000000, -0.0009849200000000 ] - [ 0.0020858800000000, -0.0005184300000000, 0.0013099700000000 ] - [ 0.0019076000000000, -0.0000249800000000, -0.0008769100000000 ] - [ 0.0014960000000000, 0.0001898200000000, -0.0009737400000000 ] - [ -0.0004454500000000, -0.0012491400000000, 0.0001290600000000 ] - [ -0.0008322300000000, -0.0011249400000000, -0.0012516800000000 ] - [ -0.0010225600000000, -0.0002339600000000, -0.0018938100000000 ] - [ -0.0007536500000000, -0.0008017700000000, -0.0015413100000000 ] - [ -0.0048361400000000, 0.0033462500000000, 0.0007605700000000 ] - [ 0.0006326000000000, 0.0000060700000000, 0.0007644500000000 ] - [ 0.0006941900000000, -0.0009701900000000, 0.0004235500000000 ] - [ -0.0004245700000000, 0.0001487600000000, 0.0004732200000000 ] - [ 0.0009226600000000, 0.0000627500000000, -0.0007105800000000 ] - [ -0.0000731900000000, 0.0000814300000000, -0.0002644900000000 ] - [ 0.0000327200000000, -0.0002320900000000, 0.0005701000000000 ] - [ -0.0000462200000000, -0.0003735700000000, 0.0004482100000000 ] - [ -0.0052250200000000, 0.0030706100000000, 0.0094322500000000 ] - [ 0.0006352300000000, 0.0000982200000000, 0.0009479900000000 ] - [ 0.0006224100000000, -0.0010621400000000, 0.0009381000000000 ] - [ -0.0001301000000000, 0.0001675400000000, 0.0010847300000000 ] - [ -0.0005610400000000, -0.0005100100000000, 0.0009989500000000 ] - [ 0.0003624900000000, -0.0000270600000000, 0.0017742100000000 ] - [ 0.0001111200000000, -0.0002580900000000, 0.0018853700000000 ] - [ -0.0000140500000000, 0.0003512900000000, 0.0017941700000000 ] - [ 0.0026225800000000, 0.0006212800000000, 0.0035298500000000 ] - [ 0.0020727500000000, 0.0006273100000000, 0.0033524400000000 ] - [ -0.0000199100000000, -0.0003630800000000, 0.0025924000000000 ] - [ -0.0000822800000000, -0.0001821600000000, 0.0026342700000000 ] - [ -0.0010606500000000, -0.0005987600000000, -0.0025807200000000 ] - [ 0.0003300700000000, 0.0000320000000000, -0.0006798200000000 ] - [ 0.0000947300000000, -0.0003036800000000, -0.0006813400000000 ] - [ -0.0000170700000000, 0.0002291300000000, -0.0007817400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020841100000000, 0.0001280000000000, 0.0009953300000000 ] - [ -0.0019171400000000, -0.0009947500000000, 0.0015718400000000 ] - [ -0.0024170200000000, -0.0018636000000000, 0.0014343700000000 ] - [ -0.0021752200000000, -0.0009415900000000, 0.0016117700000000 ] - [ 0.1966990700000000, 0.0618405200000000, -0.3001667600000000 ] - [ 0.0009163900000000, -0.0005550900000000, 0.0023742900000000 ] - [ 0.0010999000000000, -0.0007325300000000, 0.0022592400000000 ] - [ 0.0016173400000000, -0.0011367000000000, 0.0016466000000000 ] - [ -0.0005708100000000, 0.0018126500000000, 0.0001554800000000 ] - [ 0.0001869600000000, 0.0021648600000000, 0.0016368000000000 ] - [ 0.0001176300000000, 0.0022714900000000, 0.0016405600000000 ] - [ -0.0000580200000000, 0.0029492500000000, 0.0019714800000000 ] - [ -0.0020878700000000, -0.0009310100000000, 0.0015431800000000 ] - [ -0.0007125400000000, -0.0011587000000000, 0.0031309600000000 ] - [ -0.0012860100000000, -0.0006114600000000, 0.0021781100000000 ] - [ -0.0016007100000000, -0.0007683400000000, 0.0017872600000000 ] - [ 0.0018443700000000, -0.0012671100000000, 0.0016399000000000 ] - [ 0.0001878200000000, -0.0006281500000000, 0.0029838800000000 ] - [ 0.0012229600000000, -0.0008193100000000, 0.0019980900000000 ] - [ 0.0012838600000000, -0.0005956500000000, 0.0017820300000000 ] - [ -0.0003037000000000, 0.0002156000000000, 0.0013470700000000 ] - [ 0.0001292100000000, 0.0013840100000000, 0.0022130400000000 ] - [ 0.0001568500000000, 0.0022761600000000, 0.0016393500000000 ] - [ 0.0001577200000000, 0.0017156500000000, 0.0019020200000000 ] - [ -0.0019346900000000, 0.0024229700000000, -0.0012715500000000 ] - [ -0.0020945600000000, -0.0009627300000000, 0.0017092300000000 ] - [ -0.0017143500000000, -0.0008336500000000, 0.0018887700000000 ] - [ -0.0007910700000000, -0.0006144900000000, 0.0022567200000000 ] - [ 0.0016928000000000, -0.0010128200000000, 0.0015775300000000 ] - [ 0.0013755000000000, -0.0008707400000000, 0.0020735900000000 ] - [ -0.0002141000000000, 0.0009742500000000, 0.0028476900000000 ] - [ 0.0021438200000000, -0.0011657900000000, 0.0013433800000000 ] - [ -0.0009547100000000, 0.0009433700000000, 0.0041091600000000 ] - [ -0.0000307200000000, 0.0013527400000000, 0.0022720000000000 ] - [ 0.0001415600000000, 0.0025363400000000, 0.0012466400000000 ] - [ 0.0000906100000000, 0.0018447500000000, 0.0018835800000000 ] - [ -0.2555278000000000, 0.0054340200000000, 0.3237615000000000 ] - [ 0.0002300200000000, 0.0011167200000000, -0.0018851500000000 ] - [ -0.0000512000000000, 0.0007739800000000, -0.0017330200000000 ] - [ -0.0004755600000000, 0.0010613000000000, -0.0013001300000000 ] - [ 0.0017267500000000, -0.0012763700000000, -0.0006128400000000 ] - [ 0.0011398600000000, 0.0001272400000000, -0.0012593800000000 ] - [ 0.0012640600000000, -0.0000195600000000, -0.0004209400000000 ] - [ 0.0013046700000000, -0.0000859700000000, -0.0012427700000000 ] - [ -0.0001529700000000, -0.0009996300000000, -0.0010778600000000 ] - [ -0.0013173900000000, 0.0002904200000000, -0.0016874900000000 ] - [ -0.0008024800000000, -0.0013362300000000, -0.0009929400000000 ] - [ -0.0010694000000000, -0.0019285100000000, -0.0008978700000000 ] - [ 0.0009996200000000, -0.0008246700000000, -0.0014545700000000 ] - [ -0.0009594100000000, 0.0017800300000000, -0.0007519200000000 ] - [ -0.0009063600000000, 0.0014927500000000, -0.0009157300000000 ] - [ -0.0006791300000000, 0.0011392000000000, -0.0010502800000000 ] - [ 0.0027510100000000, -0.0007904800000000, -0.0012980200000000 ] - [ 0.0019420000000000, -0.0000428400000000, -0.0008776200000000 ] - [ 0.0017041200000000, -0.0001004300000000, -0.0010713300000000 ] - [ 0.0007559900000000, -0.0003857600000000, -0.0008816100000000 ] - [ -0.0006514900000000, -0.0008918300000000, -0.0006120900000000 ] - [ -0.0005197300000000, -0.0009856100000000, -0.0012431000000000 ] - [ -0.0003477200000000, -0.0010771800000000, -0.0012594300000000 ] - [ -0.0010405100000000, -0.0007358000000000, -0.0004280100000000 ] - [ -0.0004536600000000, 0.0013069500000000, -0.0012908900000000 ] - [ 0.0006377200000000, 0.0011923500000000, -0.0028491500000000 ] - [ -0.0001639400000000, 0.0010077900000000, -0.0016378900000000 ] - [ -0.0003316200000000, 0.0009516300000000, -0.0014558900000000 ] - [ 0.0013046300000000, -0.0001492300000000, -0.0011467900000000 ] - [ 0.0017755900000000, 0.0003041900000000, -0.0031652800000000 ] - [ 0.0009644000000000, -0.0005053300000000, -0.0017860200000000 ] - [ 0.0011828500000000, -0.0003112400000000, -0.0014969200000000 ] - [ -0.0031385100000000, -0.0023353300000000, -0.0004674600000000 ] - [ -0.0006213800000000, -0.0016761200000000, -0.0009048600000000 ] - [ -0.0007781400000000, -0.0017002400000000, -0.0009125500000000 ] - [ 0.0000295500000000, -0.0010848200000000, -0.0007030900000000 ] - [ 0.0544833200000000, -0.0617024900000000, -0.0118038100000000 ] - [ -0.0001884700000000, 0.0009535000000000, -0.0010367600000000 ] - [ -0.0005279800000000, 0.0007568400000000, -0.0009449900000000 ] - [ -0.0008017800000000, 0.0014663100000000, -0.0009184500000000 ] - [ 0.0021172500000000, -0.0021080200000000, -0.0007283300000000 ] - [ 0.0018269400000000, 0.0000032600000000, -0.0008801500000000 ] - [ 0.0015044300000000, 0.0002630500000000, -0.0008905400000000 ] - [ 0.0020700100000000, 0.0001930500000000, -0.0010010100000000 ] - [ -0.0018338100000000, 0.0000110800000000, -0.0015555300000000 ] - [ -0.0005793900000000, -0.0006093700000000, -0.0018546200000000 ] - [ -0.0006196600000000, -0.0011515100000000, -0.0013526400000000 ] - [ -0.0008124800000000, -0.0007881800000000, -0.0015319200000000 ] - [ -0.0007208100000000, 0.0011137100000000, -0.0015357500000000 ] - [ -0.0002483600000000, 0.0009911500000000, -0.0017212500000000 ] - [ 0.0009871700000000, 0.0005354100000000, -0.0029348000000000 ] - [ -0.0010378200000000, 0.0009511700000000, -0.0013726800000000 ] - [ 0.0020064400000000, 0.0001669700000000, -0.0016240300000000 ] - [ 0.0013319000000000, 0.0000128800000000, -0.0014363300000000 ] - [ 0.0012179900000000, -0.0002986000000000, -0.0016150500000000 ] - [ 0.0007822900000000, -0.0003504500000000, -0.0019393100000000 ] - [ -0.0006381000000000, -0.0005743300000000, -0.0012733400000000 ] - [ -0.0005242700000000, -0.0010066000000000, -0.0010319700000000 ] - [ -0.0009296400000000, -0.0018292700000000, -0.0011553300000000 ] - [ -0.0007589500000000, -0.0012759300000000, -0.0010218900000000 ] - [ -0.0010795000000000, 0.0017509700000000, -0.0012437300000000 ] - [ 0.0001127100000000, 0.0004477800000000, -0.0013842400000000 ] - [ -0.0005539900000000, 0.0011087100000000, -0.0009867200000000 ] - [ -0.0010511600000000, 0.0009294000000000, -0.0014472000000000 ] - [ 0.0020527600000000, -0.0000199300000000, -0.0010142900000000 ] - [ 0.0010422100000000, 0.0005186300000000, -0.0032896300000000 ] - [ 0.0012207400000000, 0.0000253600000000, -0.0011215200000000 ] - [ 0.0016309400000000, -0.0001878200000000, -0.0010250400000000 ] - [ -0.0009741900000000, -0.0004212100000000, -0.0032651700000000 ] - [ -0.0005778900000000, -0.0005536200000000, -0.0018696200000000 ] - [ -0.0003860100000000, -0.0014427200000000, -0.0012276200000000 ] - [ -0.0006583600000000, -0.0008743900000000, -0.0015803700000000 ] - [ 0.0047231300000000, -0.0034616500000000, 0.0008557000000000 ] - [ -0.0006260200000000, -0.0000053800000000, 0.0007156500000000 ] - [ -0.0006893800000000, 0.0009640800000000, 0.0010551300000000 ] - [ 0.0004232300000000, -0.0001472600000000, 0.0010055500000000 ] - [ -0.0009220300000000, -0.0000491600000000, 0.0021952500000000 ] - [ 0.0000804600000000, -0.0000766700000000, 0.0017382000000000 ] - [ -0.0000318400000000, 0.0002285800000000, 0.0008985600000000 ] - [ 0.0000446100000000, 0.0003720400000000, 0.0010203900000000 ] - [ 0.0052209900000000, -0.0030548400000000, -0.0079734400000000 ] - [ -0.0006308700000000, -0.0000982700000000, 0.0005434000000000 ] - [ -0.0006093800000000, 0.0010506100000000, 0.0005455500000000 ] - [ 0.0001275800000000, -0.0001667200000000, 0.0004044100000000 ] - [ 0.0005254800000000, 0.0004497500000000, 0.0024540800000000 ] - [ -0.0003593300000000, 0.0000286100000000, 0.0017668700000000 ] - [ -0.0001087100000000, 0.0002544300000000, 0.0016562500000000 ] - [ 0.0000123500000000, -0.0003525000000000, 0.0017474500000000 ] - [ -0.0026032400000000, -0.0006083400000000, 0.0014799500000000 ] - [ -0.0020587100000000, -0.0006238800000000, 0.0016723100000000 ] - [ 0.0000206500000000, 0.0003616900000000, 0.0024357400000000 ] - [ 0.0000805500000000, 0.0001787100000000, 0.0023942700000000 ] - [ 0.0010555400000000, 0.0006074500000000, 0.0013537100000000 ] - [ -0.0003274300000000, -0.0000314600000000, -0.0005531400000000 ] - [ -0.0000901200000000, 0.0002989000000000, -0.0005488000000000 ] - [ 0.0000165800000000, -0.0002272600000000, -0.0004506500000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0018390000000000, -0.0008873300000000, 0.0016489300000000 ] - [ -0.0032373700000000, -0.0004175000000000, 0.0025875800000000 ] - [ -0.0023209600000000, -0.0010825000000000, 0.0015989400000000 ] - [ -0.0015195400000000, -0.0007728400000000, 0.0020221600000000 ] - [ 0.0007765300000000, -0.0004735000000000, 0.0024621000000000 ] - [ 0.0018488300000000, -0.0014682900000000, 0.0018528100000000 ] - [ 0.0015760200000000, -0.0010567300000000, 0.0017897500000000 ] - [ 0.0018014900000000, -0.0012172100000000, 0.0015351400000000 ] - [ 0.0003151800000000, 0.0026744000000000, 0.0015857600000000 ] - [ 0.0001647900000000, 0.0017419700000000, 0.0020644400000000 ] - [ 0.0001742500000000, 0.0008512900000000, 0.0026100700000000 ] - [ 0.0000776800000000, 0.0014909500000000, 0.0020454700000000 ] - [ 0.0000145900000000, -0.0010264000000000, 0.0028471000000000 ] - [ -0.0020607400000000, -0.0009846200000000, 0.0016403500000000 ] - [ -0.0012523200000000, -0.0006663300000000, 0.0020900300000000 ] - [ -0.0021767500000000, -0.0008711600000000, 0.0015429300000000 ] - [ 0.0010613900000000, -0.0012538700000000, 0.0013185700000000 ] - [ 0.0011513600000000, -0.0006962500000000, 0.0020800600000000 ] - [ 0.0017784200000000, -0.0011826800000000, 0.0017143100000000 ] - [ 0.0015307600000000, -0.0010566300000000, 0.0018332800000000 ] - [ -0.0002176900000000, 0.0014952000000000, 0.0020902500000000 ] - [ 0.0002815100000000, 0.0020676700000000, 0.0015774100000000 ] - [ 0.0000881900000000, 0.0016846300000000, 0.0020316900000000 ] - [ -0.0000017700000000, 0.0011175900000000, 0.0020508800000000 ] - [ -0.0031191200000000, -0.0021379600000000, -0.0015249900000000 ] - [ -0.0013156300000000, -0.0008708100000000, 0.0015808200000000 ] - [ -0.0014897900000000, -0.0007705300000000, 0.0017794600000000 ] - [ -0.0019556400000000, -0.0009946700000000, 0.0017615600000000 ] - [ 0.0014595500000000, -0.0009550900000000, 0.0019192300000000 ] - [ 0.0019669100000000, -0.0005667200000000, 0.0026233400000000 ] - [ 0.0028373400000000, -0.0025626100000000, -0.0013249200000000 ] - [ 0.0012413700000000, -0.0008897000000000, 0.0020864100000000 ] - [ 0.0001005300000000, 0.0018657700000000, 0.0018407000000000 ] - [ 0.1475530700000000, 0.1614662600000000, 0.0351237800000000 ] - [ 0.0000898300000000, 0.0010449700000000, 0.0024947100000000 ] - [ 0.0000565500000000, 0.0017074100000000, 0.0018338000000000 ] - [ 0.0003135100000000, 0.0011783900000000, -0.0021701200000000 ] - [ -0.0000709700000000, 0.0005734000000000, -0.0010102400000000 ] - [ -0.0003733400000000, 0.0012140100000000, -0.0015240800000000 ] - [ -0.0005845100000000, 0.0012060900000000, -0.0012572600000000 ] - [ 0.0012898400000000, -0.0001525700000000, -0.0013885800000000 ] - [ -0.0001642900000000, 0.0002892000000000, -0.0002616400000000 ] - [ 0.0014032200000000, 0.0001846200000000, -0.0013187400000000 ] - [ 0.0009796200000000, -0.0002585100000000, -0.0016141700000000 ] - [ -0.1170915200000000, -0.1495369400000000, -0.0027505600000000 ] - [ -0.0004788700000000, -0.0013720700000000, -0.0009105000000000 ] - [ -0.0009356500000000, -0.0011966500000000, -0.0009722200000000 ] - [ -0.0001812600000000, -0.0005049800000000, -0.0009703600000000 ] - [ 0.0018232600000000, 0.0059270200000000, -0.0007641600000000 ] - [ -0.0006037500000000, 0.0010490600000000, -0.0010174000000000 ] - [ -0.0006819900000000, 0.0011967600000000, -0.0009483900000000 ] - [ -0.0007966500000000, 0.0025108700000000, -0.0017728700000000 ] - [ 0.0065465600000000, -0.0031596900000000, -0.0000521900000000 ] - [ 0.0028210000000000, -0.0004184200000000, -0.0013895500000000 ] - [ 0.0012990700000000, 0.0000513800000000, -0.0008254100000000 ] - [ 0.0018321500000000, 0.0002554400000000, -0.0010204500000000 ] - [ -0.0008174100000000, -0.0013186400000000, -0.0012652600000000 ] - [ -0.0005154700000000, -0.0006143300000000, -0.0014886200000000 ] - [ -0.0016796600000000, -0.0002745600000000, -0.0025399800000000 ] - [ -0.0006369900000000, -0.0006458800000000, -0.0016799400000000 ] - [ -0.0005063200000000, 0.0006850500000000, -0.0016128900000000 ] - [ -0.0000499900000000, 0.0010382100000000, -0.0017326700000000 ] - [ -0.0006069900000000, 0.0010643500000000, -0.0013298500000000 ] - [ -0.0002987000000000, 0.0012588400000000, -0.0014992800000000 ] - [ 0.0003057800000000, -0.0003437800000000, -0.0021853800000000 ] - [ 0.0013239400000000, -0.0000277500000000, -0.0012812300000000 ] - [ 0.0009080900000000, -0.0003649200000000, -0.0016697700000000 ] - [ 0.0012859700000000, 0.0000429400000000, -0.0012152300000000 ] - [ -0.0010439800000000, -0.0022215200000000, -0.0012771500000000 ] - [ -0.0005328600000000, -0.0012572700000000, -0.0009077600000000 ] - [ -0.0006110800000000, -0.0004868100000000, -0.0013593500000000 ] - [ -0.0006040500000000, -0.0010084900000000, -0.0009372500000000 ] - [ -0.0002789000000000, 0.0007466600000000, -0.0011496500000000 ] - [ -0.0014839800000000, 0.0007236700000000, -0.0002901100000000 ] - [ -0.0006884900000000, 0.0016109100000000, -0.0010376300000000 ] - [ -0.0009789600000000, 0.0017205200000000, -0.0009613800000000 ] - [ 0.0018288100000000, -0.0000891500000000, -0.0009681500000000 ] - [ 0.0022641200000000, 0.0002400800000000, -0.0007623700000000 ] - [ 0.0022048000000000, 0.0002728900000000, -0.0011549900000000 ] - [ 0.0014258000000000, -0.0000030200000000, -0.0010346700000000 ] - [ -0.0005124000000000, -0.0008121300000000, -0.0019781600000000 ] - [ -0.0006547200000000, -0.0010254400000000, -0.0012828600000000 ] - [ -0.0007413700000000, -0.0007282500000000, -0.0015759900000000 ] - [ -0.0009014100000000, -0.0003651500000000, -0.0018118700000000 ] - [ -0.0003880800000000, 0.0008022300000000, -0.0015635800000000 ] - [ -0.0003492300000000, 0.0017831000000000, -0.0023738800000000 ] - [ -0.0013388900000000, 0.0024338700000000, 0.0008049900000000 ] - [ -0.0001426100000000, 0.0010741400000000, -0.0017184800000000 ] - [ 0.0018313800000000, 0.0004921600000000, 0.0005256000000000 ] - [ 0.0017611200000000, -0.0004392600000000, -0.0018191600000000 ] - [ 0.0009347600000000, -0.0000503800000000, -0.0014747100000000 ] - [ 0.0011043700000000, 0.0001176900000000, -0.0014306500000000 ] - [ -0.0005321500000000, -0.0011665900000000, -0.0009714200000000 ] - [ -0.0010431500000000, -0.0015881000000000, -0.0009468100000000 ] - [ -0.0006058100000000, -0.0012511100000000, -0.0010457400000000 ] - [ -0.0006130100000000, -0.0007772000000000, -0.0010354800000000 ] - [ -0.0009630400000000, 0.0016306200000000, -0.0007725900000000 ] - [ -0.0004341300000000, 0.0010783900000000, -0.0010353200000000 ] - [ -0.0010534400000000, 0.0016096900000000, -0.0010484700000000 ] - [ -0.0006938500000000, 0.0015480800000000, -0.0010319700000000 ] - [ -0.0001818700000000, 0.0000215500000000, -0.0010371200000000 ] - [ 0.0020678000000000, -0.0000197100000000, -0.0010157400000000 ] - [ 0.0011570200000000, 0.0000814600000000, -0.0010425200000000 ] - [ 0.0021182600000000, 0.0000671200000000, -0.0009639800000000 ] - [ -0.0004304100000000, -0.0008230300000000, -0.0014732400000000 ] - [ -0.0435215700000000, -0.0119712400000000, -0.0284243800000000 ] - [ -0.0006889800000000, -0.0002448100000000, -0.0019502300000000 ] - [ -0.0007280700000000, -0.0008573500000000, -0.0016094100000000 ] - [ -0.0006265500000000, -0.0003628300000000, 0.0008271700000000 ] - [ 0.0006860200000000, 0.0004617100000000, 0.0006051600000000 ] - [ -0.0005285800000000, -0.0003061800000000, 0.0007252200000000 ] - [ 0.0010189200000000, -0.0000478500000000, 0.0005860400000000 ] - [ 0.0061017400000000, 0.0008805100000000, 0.0001130400000000 ] - [ -0.0008019200000000, 0.0003777100000000, 0.0009833100000000 ] - [ 0.0003261100000000, -0.0000714800000000, 0.0006366500000000 ] - [ -0.0004369500000000, -0.0011734500000000, 0.0009698900000000 ] - [ -0.0008541400000000, 0.0007154300000000, 0.0012912700000000 ] - [ -0.0038479800000000, 0.0002154300000000, -0.0037956200000000 ] - [ -0.0001395000000000, -0.0015135900000000, 0.0013023500000000 ] - [ -0.0000038700000000, -0.0002250500000000, 0.0006883400000000 ] - [ -0.0006757200000000, -0.0003531300000000, 0.0017131600000000 ] - [ 0.0032645900000000, -0.0027084100000000, 0.0011230600000000 ] - [ -0.0003954800000000, -0.0002341500000000, 0.0017750300000000 ] - [ 0.0011461300000000, -0.0003181300000000, 0.0016402300000000 ] - [ 0.0004980300000000, 0.0005319200000000, 0.0031927000000000 ] - [ -0.0003664100000000, 0.0001474100000000, 0.0024331500000000 ] - [ 0.0001666900000000, -0.0000724500000000, 0.0025387900000000 ] - [ -0.0002215500000000, -0.0005366500000000, 0.0024531700000000 ] - [ -0.0001581800000000, 0.0002894000000000, -0.0007391600000000 ] - [ -0.0005485700000000, 0.0001180100000000, -0.0001329500000000 ] - [ -0.0000690000000000, -0.0004488500000000, -0.0007633800000000 ] - [ 0.0000109800000000, -0.0001162700000000, -0.0005979100000000 ]- atom: 45 displacement: [ -0.0100000000000000, -0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0013927300000000, -0.0007113500000000, 0.0021344700000000 ] - [ -0.0000042000000000, -0.0011997500000000, 0.0011729200000000 ] - [ -0.0009073900000000, -0.0005148200000000, 0.0021833400000000 ] - [ -0.0017180500000000, -0.0008287800000000, 0.0017550500000000 ] - [ 0.0022350600000000, -0.0015357100000000, 0.0013118900000000 ] - [ 0.0011665600000000, -0.0005293600000000, 0.0019292200000000 ] - [ 0.0014258500000000, -0.0009451500000000, 0.0019909500000000 ] - [ 0.0011994400000000, -0.0007833600000000, 0.0022476100000000 ] - [ -0.0000844100000000, 0.0009146200000000, 0.0021965800000000 ] - [ 0.0000670800000000, 0.0018614300000000, 0.0017129100000000 ] - [ 0.0000625700000000, 0.0027536700000000, 0.0011726300000000 ] - [ 0.0001537400000000, 0.0021113100000000, 0.0017331700000000 ] - [ -0.0032551800000000, -0.0005875600000000, 0.0008432800000000 ] - [ -0.0011831600000000, -0.0006270900000000, 0.0020809100000000 ] - [ -0.0020032700000000, -0.0009488700000000, 0.0016266400000000 ] - [ -0.0010684800000000, -0.0007404600000000, 0.0021810800000000 ] - [ 0.0019644100000000, -0.0007674600000000, 0.0024141000000000 ] - [ 0.0018764900000000, -0.0013166700000000, 0.0016353000000000 ] - [ 0.0012397200000000, -0.0008236800000000, 0.0020079000000000 ] - [ 0.0014910500000000, -0.0009516300000000, 0.0018865100000000 ] - [ 0.0004504300000000, 0.0021371700000000, 0.0016346200000000 ] - [ -0.0000581600000000, 0.0015458300000000, 0.0021470400000000 ] - [ 0.0001402400000000, 0.0019369900000000, 0.0016864200000000 ] - [ 0.0002350400000000, 0.0025178200000000, 0.0016641300000000 ] - [ -0.0001086900000000, 0.0005655600000000, 0.0053104200000000 ] - [ -0.0019178500000000, -0.0007136600000000, 0.0021501500000000 ] - [ -0.0017673300000000, -0.0008172400000000, 0.0019512400000000 ] - [ -0.0012975300000000, -0.0005913300000000, 0.0019671700000000 ] - [ 0.0015447600000000, -0.0010729500000000, 0.0018075100000000 ] - [ 0.0010376900000000, -0.0014309000000000, 0.0011051200000000 ] - [ 0.0001547000000000, 0.0005507600000000, 0.0050571700000000 ] - [ 0.0017651200000000, -0.0011380000000000, 0.0016390300000000 ] - [ 0.0001527300000000, 0.0017461000000000, 0.0018882500000000 ] - [ -0.1474893700000000, -0.1523834700000000, -0.0318719600000000 ] - [ 0.0001623600000000, 0.0025763300000000, 0.0012258500000000 ] - [ 0.0001962300000000, 0.0019064500000000, 0.0018946500000000 ] - [ -0.0010358200000000, 0.0009140500000000, -0.0009089600000000 ] - [ -0.0006467000000000, 0.0015269200000000, -0.0020740900000000 ] - [ -0.0003414900000000, 0.0008791300000000, -0.0015628300000000 ] - [ -0.0001284800000000, 0.0008881500000000, -0.0018323000000000 ] - [ 0.0008785800000000, -0.0002777400000000, -0.0017008200000000 ] - [ 0.0023261100000000, -0.0006903400000000, -0.0028003800000000 ] - [ 0.0007649100000000, -0.0006176100000000, -0.0017706500000000 ] - [ 0.0011930500000000, -0.0001683200000000, -0.0014695000000000 ] - [ 0.1159655100000000, 0.1421270900000000, 0.0012658200000000 ] - [ -0.0010908300000000, -0.0012804900000000, -0.0010933700000000 ] - [ -0.0006275000000000, -0.0014577300000000, -0.0010304400000000 ] - [ -0.0013896500000000, -0.0021573700000000, -0.0010321800000000 ] - [ -0.0033707300000000, -0.0033146900000000, -0.0012212300000000 ] - [ -0.0009130600000000, 0.0016395000000000, -0.0009857500000000 ] - [ -0.0008348500000000, 0.0014892700000000, -0.0010556000000000 ] - [ -0.0007172000000000, 0.0001596600000000, -0.0002287500000000 ] - [ -0.0035944700000000, 0.0032259800000000, -0.0019469200000000 ] - [ 0.0002331200000000, 0.0003924500000000, -0.0006059900000000 ] - [ 0.0017836900000000, -0.0000806900000000, -0.0011779900000000 ] - [ 0.0012458500000000, -0.0002872400000000, -0.0009815900000000 ] - [ -0.0006393600000000, -0.0003411100000000, -0.0018240800000000 ] - [ -0.0009430300000000, -0.0010556400000000, -0.0015973100000000 ] - [ 0.0002279000000000, -0.0013879300000000, -0.0005475900000000 ] - [ -0.0008207000000000, -0.0010215700000000, -0.0014047800000000 ] - [ -0.0002241600000000, 0.0013985900000000, -0.0013513800000000 ] - [ -0.0006959900000000, 0.0010396600000000, -0.0012160300000000 ] - [ -0.0001293200000000, 0.0010140900000000, -0.0016268500000000 ] - [ -0.0004427200000000, 0.0008170100000000, -0.0014540600000000 ] - [ 0.0018683100000000, -0.0000584500000000, -0.0007635200000000 ] - [ 0.0008424600000000, -0.0003719700000000, -0.0016744600000000 ] - [ 0.0012630900000000, -0.0000311400000000, -0.0012815100000000 ] - [ 0.0008807100000000, -0.0004459100000000, -0.0017422800000000 ] - [ -0.0005134900000000, -0.0004162900000000, -0.0007106500000000 ] - [ -0.0010333700000000, -0.0013918500000000, -0.0010851500000000 ] - [ -0.0009487800000000, -0.0021627000000000, -0.0006306100000000 ] - [ -0.0009569400000000, -0.0016414000000000, -0.0010541600000000 ] - [ -0.0012409900000000, 0.0019358500000000, -0.0008397500000000 ] - [ -0.0000320600000000, 0.0019475900000000, -0.0017126200000000 ] - [ -0.0008247600000000, 0.0010615800000000, -0.0009531800000000 ] - [ -0.0005322800000000, 0.0009525300000000, -0.0010303300000000 ] - [ 0.0012392600000000, 0.0000633000000000, -0.0010224800000000 ] - [ 0.0008185900000000, -0.0002590700000000, -0.0012163800000000 ] - [ 0.0008622400000000, -0.0003024600000000, -0.0008339000000000 ] - [ 0.0016494300000000, -0.0000225800000000, -0.0009546300000000 ] - [ -0.0009197100000000, -0.0008688000000000, -0.0009723100000000 ] - [ -0.0007756300000000, -0.0006502000000000, -0.0016733000000000 ] - [ -0.0006880700000000, -0.0009522400000000, -0.0013766700000000 ] - [ -0.0005257600000000, -0.0013231700000000, -0.0011332600000000 ] - [ -0.0003604300000000, 0.0012621000000000, -0.0015556400000000 ] - [ -0.0003978500000000, 0.0002689400000000, -0.0007522400000000 ] - [ 0.0005904600000000, -0.0003954400000000, -0.0039242800000000 ] - [ -0.0006087200000000, 0.0009870800000000, -0.0013994600000000 ] - [ 0.0003070100000000, -0.0008876100000000, -0.0036845800000000 ] - [ 0.0003792800000000, 0.0000560000000000, -0.0013090000000000 ] - [ 0.0012245800000000, -0.0003357100000000, -0.0016476300000000 ] - [ 0.0010546900000000, -0.0005044600000000, -0.0016906800000000 ] - [ -0.0010320600000000, -0.0015432100000000, -0.0010278000000000 ] - [ -0.0005129900000000, -0.0011112600000000, -0.0010529600000000 ] - [ -0.0009586400000000, -0.0014563700000000, -0.0009523300000000 ] - [ -0.0009513100000000, -0.0019425400000000, -0.0009588200000000 ] - [ -0.0006025700000000, 0.0010861300000000, -0.0012266300000000 ] - [ -0.0011331200000000, 0.0016305900000000, -0.0009633000000000 ] - [ -0.0005060400000000, 0.0010939800000000, -0.0009511200000000 ] - [ -0.0008696000000000, 0.0011565500000000, -0.0009671300000000 ] - [ 0.0033150300000000, -0.0000225100000000, -0.0009677000000000 ] - [ 0.0010491400000000, 0.0000201100000000, -0.0009824300000000 ] - [ 0.0019738700000000, -0.0000812000000000, -0.0009551300000000 ] - [ 0.0010017000000000, -0.0000676900000000, -0.0010344000000000 ] - [ -0.0009855500000000, -0.0008542100000000, -0.0016480300000000 ] - [ 0.0422881500000000, 0.0095412100000000, 0.0255390900000000 ] - [ -0.0007222700000000, -0.0014397500000000, -0.0011645500000000 ] - [ -0.0006815500000000, -0.0008204900000000, -0.0015099900000000 ] - [ 0.0006348800000000, 0.0003677000000000, 0.0006514100000000 ] - [ -0.0006929100000000, -0.0004690600000000, 0.0008792600000000 ] - [ 0.0005360700000000, 0.0003117300000000, 0.0007541100000000 ] - [ -0.0010290000000000, 0.0000440800000000, 0.0008911500000000 ] - [ -0.0064202400000000, -0.0009130000000000, 0.0009927500000000 ] - [ 0.0008168000000000, -0.0003848000000000, 0.0004787700000000 ] - [ -0.0003285900000000, 0.0000726000000000, 0.0008319200000000 ] - [ 0.0004419000000000, 0.0011893300000000, 0.0004943500000000 ] - [ 0.0008687300000000, -0.0007236400000000, 0.0001929800000000 ] - [ 0.0038641800000000, -0.0001360300000000, 0.0053584600000000 ] - [ 0.0001408100000000, 0.0015283500000000, 0.0001828700000000 ] - [ 0.0000046100000000, 0.0002258300000000, 0.0008037000000000 ] - [ 0.0006834900000000, 0.0003584800000000, 0.0018283700000000 ] - [ -0.0032364100000000, 0.0026330200000000, 0.0023944200000000 ] - [ 0.0004012200000000, 0.0002382600000000, 0.0017663000000000 ] - [ -0.0011633100000000, 0.0003213900000000, 0.0019091000000000 ] - [ -0.0005218300000000, -0.0005322400000000, 0.0018577100000000 ] - [ 0.0003717500000000, -0.0001486800000000, 0.0025969800000000 ] - [ -0.0001674300000000, 0.0000733600000000, 0.0024893600000000 ] - [ 0.0002229200000000, 0.0005420200000000, 0.0025762100000000 ] - [ 0.0001622200000000, -0.0002922400000000, -0.0004922100000000 ] - [ 0.0005594600000000, -0.0001198100000000, -0.0011245700000000 ] - [ 0.0000701100000000, 0.0004548600000000, -0.0004675900000000 ] - [ -0.0000109800000000, 0.0001178000000000, -0.0006355600000000 ]- atom: 45 displacement: [ -0.0050000000336304, 0.0086602540184278, 0.0000000000000000 ] forces: - [ -0.0015956400000000, -0.0007499300000000, 0.0019253100000000 ] - [ -0.0014721300000000, -0.0002863400000000, 0.0019155000000000 ] - [ -0.0020587900000000, -0.0010422400000000, 0.0016240300000000 ] - [ -0.0009744900000000, -0.0003857300000000, 0.0024811400000000 ] - [ 0.0014662800000000, -0.0010656000000000, 0.0020612200000000 ] - [ 0.0005734600000000, -0.0007227400000000, 0.0034415200000000 ] - [ 0.0014656500000000, -0.0010088900000000, 0.0017911300000000 ] - [ 0.0019567800000000, -0.0013716900000000, 0.0015080800000000 ] - [ 0.0001881000000000, 0.0019644600000000, 0.0017113200000000 ] - [ 0.0001654800000000, 0.0019142900000000, 0.0018443600000000 ] - [ 0.0004649800000000, 0.0004055200000000, 0.0032197800000000 ] - [ 0.0001085600000000, 0.0015753400000000, 0.0019209200000000 ] - [ -0.0024518400000000, -0.0018386900000000, 0.0017817900000000 ] - [ -0.0014195700000000, -0.0007625500000000, 0.0019958200000000 ] - [ -0.0013012700000000, -0.0007234800000000, 0.0020910300000000 ] - [ -0.0021412400000000, -0.0009554400000000, 0.0014811300000000 ] - [ 0.0002120300000000, -0.0018599500000000, 0.0014742200000000 ] - [ 0.0011950700000000, -0.0006996800000000, 0.0019972500000000 ] - [ 0.0022468000000000, -0.0015875800000000, 0.0014339500000000 ] - [ 0.0015382200000000, -0.0010433200000000, 0.0019178300000000 ] - [ 0.0003170400000000, 0.0020946600000000, 0.0015329900000000 ] - [ 0.0002248500000000, 0.0026431700000000, 0.0013117200000000 ] - [ 0.0000273600000000, 0.0014643900000000, 0.0021458000000000 ] - [ -0.0003465500000000, 0.0001806100000000, 0.0025355600000000 ] - [ -0.0007265300000000, 0.0012557500000000, 0.0045150000000000 ] - [ -0.0014325000000000, -0.0009769900000000, 0.0019952300000000 ] - [ -0.0023509100000000, -0.0010542600000000, 0.0014772700000000 ] - [ -0.0018623300000000, -0.0009850600000000, 0.0017145700000000 ] - [ 0.0019844000000000, -0.0012659100000000, 0.0013651400000000 ] - [ 0.0021573700000000, -0.0013574900000000, 0.0019080400000000 ] - [ -0.0017507000000000, -0.0003051300000000, 0.0030909000000000 ] - [ 0.0020913300000000, -0.0016354600000000, 0.0015220200000000 ] - [ 0.0001263600000000, 0.0021134400000000, 0.0018196200000000 ] - [ 0.0631170800000000, 0.1995835500000000, -0.0357966700000000 ] - [ 0.0000952500000000, 0.0012678000000000, 0.0022482500000000 ] - [ 0.0000752400000000, 0.0006987500000000, 0.0026893200000000 ] - [ -0.0002820800000000, 0.0009105000000000, -0.0015138000000000 ] - [ -0.0002282100000000, 0.0005283300000000, -0.0031908000000000 ] - [ -0.0003043200000000, 0.0012340600000000, -0.0015451800000000 ] - [ -0.0006127600000000, 0.0012461500000000, -0.0011662500000000 ] - [ 0.0010531700000000, -0.0002591200000000, -0.0015368300000000 ] - [ 0.0015439600000000, -0.0011886200000000, -0.0016213100000000 ] - [ 0.0013501300000000, 0.0000431900000000, -0.0013681000000000 ] - [ 0.0006943500000000, -0.0002576000000000, -0.0022531400000000 ] - [ -0.0723345500000000, -0.2964951600000000, 0.0945801300000000 ] - [ -0.0009747700000000, -0.0016260300000000, -0.0010687600000000 ] - [ -0.0005935700000000, -0.0003720300000000, -0.0011316100000000 ] - [ -0.0003689400000000, -0.0007758700000000, -0.0009395100000000 ] - [ 0.0012076600000000, -0.0000308600000000, -0.0004881500000000 ] - [ -0.0014899100000000, 0.0016910900000000, -0.0010436100000000 ] - [ -0.0010023400000000, 0.0019223100000000, -0.0009376500000000 ] - [ -0.0008805600000000, 0.0017506600000000, -0.0011570600000000 ] - [ -0.0030240100000000, 0.0003560500000000, -0.0004059900000000 ] - [ 0.0017017100000000, 0.0000350500000000, -0.0012809400000000 ] - [ 0.0021183900000000, 0.0004978700000000, -0.0009663800000000 ] - [ 0.0017102700000000, 0.0001711500000000, -0.0009296300000000 ] - [ -0.0009067300000000, -0.0008077500000000, -0.0013420400000000 ] - [ -0.0006318000000000, -0.0008751200000000, -0.0013967300000000 ] - [ -0.0012719000000000, 0.0000740600000000, -0.0032911500000000 ] - [ -0.0008288100000000, -0.0007317600000000, -0.0016218000000000 ] - [ 0.0000214000000000, 0.0014597200000000, -0.0020675700000000 ] - [ -0.0002249200000000, 0.0009260600000000, -0.0016498800000000 ] - [ -0.0008936700000000, 0.0012196900000000, -0.0011394300000000 ] - [ -0.0003092500000000, 0.0011886700000000, -0.0015330000000000 ] - [ 0.0014681100000000, 0.0003697000000000, -0.0012794000000000 ] - [ 0.0009687800000000, -0.0002750600000000, -0.0016058700000000 ] - [ 0.0008351300000000, -0.0001617200000000, -0.0016272500000000 ] - [ 0.0013558700000000, 0.0000953400000000, -0.0012479500000000 ] - [ -0.0008531100000000, -0.0015303300000000, -0.0010048600000000 ] - [ -0.0007407300000000, -0.0015500400000000, -0.0012243900000000 ] - [ -0.0003605000000000, 0.0000775400000000, -0.0014197900000000 ] - [ -0.0007785800000000, -0.0011083800000000, -0.0009640600000000 ] - [ -0.0008007500000000, 0.0012089200000000, -0.0010163400000000 ] - [ -0.0008746400000000, 0.0004228900000000, -0.0014414400000000 ] - [ -0.0006119500000000, 0.0015281200000000, -0.0010073100000000 ] - [ -0.0010664500000000, 0.0019052800000000, -0.0010238200000000 ] - [ 0.0014658800000000, 0.0000468400000000, -0.0009907200000000 ] - [ 0.0013836900000000, -0.0003057300000000, -0.0011818600000000 ] - [ 0.0021004500000000, -0.0000035000000000, -0.0011410200000000 ] - [ 0.0008340600000000, -0.0000167400000000, -0.0010421700000000 ] - [ -0.0005540200000000, -0.0011154800000000, -0.0012004300000000 ] - [ -0.0005670100000000, -0.0013957100000000, -0.0011781200000000 ] - [ -0.0007620500000000, -0.0005991500000000, -0.0017055200000000 ] - [ -0.0009704000000000, 0.0001118700000000, -0.0023726300000000 ] - [ -0.0008263900000000, 0.0011421500000000, -0.0012332300000000 ] - [ -0.0003227700000000, 0.0013620500000000, -0.0013580600000000 ] - [ 0.0030267900000000, 0.0034376000000000, -0.0018442900000000 ] - [ -0.0007206900000000, 0.0011337200000000, -0.0011774200000000 ] - [ 0.0006460500000000, -0.0015523800000000, -0.0030882900000000 ] - [ 0.0012471500000000, -0.0010459600000000, -0.0013271200000000 ] - [ 0.0012349200000000, 0.0002230600000000, -0.0011173600000000 ] - [ 0.0010246800000000, 0.0002118200000000, -0.0014011500000000 ] - [ -0.0008456700000000, -0.0016406700000000, -0.0008280900000000 ] - [ -0.0014279800000000, -0.0018893800000000, -0.0006788000000000 ] - [ -0.0005952300000000, -0.0010313600000000, -0.0010538200000000 ] - [ -0.0001394100000000, 0.0001822600000000, -0.0013074100000000 ] - [ -0.0004558500000000, 0.0018212900000000, -0.0013202700000000 ] - [ -0.0004229500000000, 0.0010914300000000, -0.0009261300000000 ] - [ -0.0010725900000000, 0.0021952500000000, -0.0007744800000000 ] - [ -0.0007974600000000, 0.0014570100000000, -0.0010808000000000 ] - [ 0.0023848900000000, -0.0003513900000000, -0.0001815600000000 ] - [ 0.0013507400000000, -0.0000441900000000, -0.0010163200000000 ] - [ 0.0011266700000000, 0.0003026200000000, -0.0010338000000000 ] - [ 0.0020972100000000, 0.0000509700000000, -0.0009731700000000 ] - [ -0.0007361000000000, -0.0009933800000000, -0.0015155500000000 ] - [ 0.0169764600000000, 0.0837333000000000, -0.0577269200000000 ] - [ -0.0005958900000000, -0.0004389300000000, -0.0017909300000000 ] - [ -0.0013639300000000, -0.0000374600000000, -0.0021287100000000 ] - [ -0.0001594400000000, 0.0000763600000000, 0.0008316300000000 ] - [ 0.0004935600000000, -0.0000993200000000, 0.0009392000000000 ] - [ -0.0002600600000000, -0.0002302700000000, 0.0008286700000000 ] - [ 0.0004311900000000, -0.0006148100000000, 0.0014172900000000 ] - [ -0.0059984200000000, 0.0089953800000000, -0.0047222400000000 ] - [ 0.0003129700000000, 0.0005561000000000, 0.0007519800000000 ] - [ 0.0003314400000000, -0.0009016200000000, 0.0006150900000000 ] - [ -0.0005122000000000, -0.0010419000000000, 0.0007727700000000 ] - [ 0.0006320800000000, -0.0000802200000000, 0.0002940700000000 ] - [ 0.0013805800000000, 0.0025362400000000, -0.0005338300000000 ] - [ -0.0007737800000000, -0.0010472000000000, 0.0009904900000000 ] - [ 0.0005384100000000, -0.0005667500000000, 0.0007583400000000 ] - [ -0.0001666900000000, 0.0001269000000000, 0.0017084900000000 ] - [ -0.0010985400000000, 0.0014819200000000, 0.0021546200000000 ] - [ -0.0002081200000000, -0.0001559500000000, 0.0017283600000000 ] - [ 0.0011645800000000, -0.0015264600000000, 0.0010612000000000 ] - [ -0.0015701800000000, 0.0006050900000000, 0.0042433900000000 ] - [ 0.0002504900000000, 0.0002404800000000, 0.0025419200000000 ] - [ 0.0001819300000000, -0.0004363800000000, 0.0025534000000000 ] - [ -0.0001973800000000, -0.0002819800000000, 0.0024951100000000 ] - [ 0.0003011200000000, 0.0000127800000000, -0.0004821600000000 ] - [ -0.0014117500000000, 0.0006612500000000, 0.0012881800000000 ] - [ -0.0003461000000000, -0.0003289400000000, -0.0007243600000000 ] - [ 0.0002687500000000, -0.0003170600000000, -0.0006389300000000 ]- atom: 45 displacement: [ 0.0050000000336304, -0.0086602540184278, 0.0000000000000000 ] forces: - [ -0.0016405700000000, -0.0008506100000000, 0.0018534900000000 ] - [ -0.0017437300000000, -0.0013124900000000, 0.0018651500000000 ] - [ -0.0011756400000000, -0.0005570900000000, 0.0021576200000000 ] - [ -0.0022671000000000, -0.0012194700000000, 0.0012914400000000 ] - [ 0.0015365100000000, -0.0009361200000000, 0.0017190000000000 ] - [ 0.0024543900000000, -0.0012810800000000, 0.0003177700000000 ] - [ 0.0015385400000000, -0.0009944900000000, 0.0019883000000000 ] - [ 0.0010431400000000, -0.0006290200000000, 0.0022741400000000 ] - [ 0.0000420800000000, 0.0016352700000000, 0.0020686200000000 ] - [ 0.0000660900000000, 0.0016804900000000, 0.0019370500000000 ] - [ -0.0002389800000000, 0.0032027000000000, 0.0005524900000000 ] - [ 0.0001224600000000, 0.0020246600000000, 0.0018592300000000 ] - [ -0.0007563400000000, 0.0002389700000000, 0.0019599200000000 ] - [ -0.0018337100000000, -0.0008526700000000, 0.0017200800000000 ] - [ -0.0019497500000000, -0.0008888500000000, 0.0016277300000000 ] - [ -0.0011099400000000, -0.0006591000000000, 0.0022375600000000 ] - [ 0.0028377700000000, -0.0001168200000000, 0.0022409100000000 ] - [ 0.0018253000000000, -0.0013064300000000, 0.0017233600000000 ] - [ 0.0007715800000000, -0.0004180200000000, 0.0022874300000000 ] - [ 0.0014828700000000, -0.0009652200000000, 0.0018016600000000 ] - [ -0.0000986600000000, 0.0015196300000000, 0.0021813600000000 ] - [ 0.0000007100000000, 0.0009685500000000, 0.0024091200000000 ] - [ 0.0002012900000000, 0.0021568700000000, 0.0015736100000000 ] - [ 0.0005712700000000, 0.0034374600000000, 0.0011836200000000 ] - [ -0.0025450200000000, -0.0028344800000000, -0.0007729500000000 ] - [ -0.0018428300000000, -0.0006255700000000, 0.0017111500000000 ] - [ -0.0008959500000000, -0.0005302000000000, 0.0022558200000000 ] - [ -0.0013959000000000, -0.0006039300000000, 0.0020122200000000 ] - [ 0.0010160800000000, -0.0007593500000000, 0.0023659100000000 ] - [ 0.0008542100000000, -0.0006721800000000, 0.0018177300000000 ] - [ 0.0047711500000000, -0.0017269100000000, 0.0005861100000000 ] - [ 0.0009045100000000, -0.0003841800000000, 0.0022112000000000 ] - [ 0.0001260800000000, 0.0014972900000000, 0.0019092700000000 ] - [ -0.0571401600000000, -0.1877898700000000, 0.0371097700000000 ] - [ 0.0001566800000000, 0.0023446300000000, 0.0014806200000000 ] - [ 0.0001766400000000, 0.0029232700000000, 0.0010307200000000 ] - [ -0.0004328100000000, 0.0011840100000000, -0.0015737800000000 ] - [ -0.0004979400000000, 0.0015688400000000, 0.0001315400000000 ] - [ -0.0004117200000000, 0.0008602800000000, -0.0015410600000000 ] - [ -0.0000996300000000, 0.0008468800000000, -0.0019219700000000 ] - [ 0.0011185900000000, -0.0001694700000000, -0.0015495700000000 ] - [ 0.0006366800000000, 0.0007458800000000, -0.0014793800000000 ] - [ 0.0008207300000000, -0.0004722500000000, -0.0017204100000000 ] - [ 0.0014796600000000, -0.0001691800000000, -0.0008241500000000 ] - [ 0.0638162500000000, 0.2843871700000000, -0.0929024500000000 ] - [ -0.0005888600000000, -0.0010251400000000, -0.0009334200000000 ] - [ -0.0009745700000000, -0.0022883700000000, -0.0008687700000000 ] - [ -0.0011959200000000, -0.0018770600000000, -0.0010632200000000 ] - [ -0.0026941800000000, 0.0027529100000000, -0.0015206900000000 ] - [ -0.0000173200000000, 0.0009882100000000, -0.0009592700000000 ] - [ -0.0005118200000000, 0.0007578400000000, -0.0010661200000000 ] - [ -0.0006411000000000, 0.0009291200000000, -0.0008399200000000 ] - [ 0.0060733500000000, -0.0003902500000000, -0.0016258000000000 ] - [ 0.0013810500000000, -0.0000576100000000, -0.0007106100000000 ] - [ 0.0009538400000000, -0.0005307900000000, -0.0010344700000000 ] - [ 0.0013724800000000, -0.0002004000000000, -0.0010728600000000 ] - [ -0.0005474800000000, -0.0008586800000000, -0.0017431100000000 ] - [ -0.0008273800000000, -0.0007890400000000, -0.0016915800000000 ] - [ -0.0001831300000000, -0.0017500400000000, 0.0002178500000000 ] - [ -0.0006264400000000, -0.0009339200000000, -0.0014639600000000 ] - [ -0.0007731100000000, 0.0006039700000000, -0.0008739700000000 ] - [ -0.0005149400000000, 0.0011524700000000, -0.0013046700000000 ] - [ 0.0001563400000000, 0.0008579400000000, -0.0018162000000000 ] - [ -0.0004309200000000, 0.0008898700000000, -0.0014207900000000 ] - [ 0.0006748300000000, -0.0007543200000000, -0.0016539700000000 ] - [ 0.0012029400000000, -0.0001212800000000, -0.0013452200000000 ] - [ 0.0013355400000000, -0.0002387600000000, -0.0013266000000000 ] - [ 0.0008132500000000, -0.0004924900000000, -0.0017059800000000 ] - [ -0.0007054200000000, -0.0011164700000000, -0.0009845200000000 ] - [ -0.0008172900000000, -0.0010937500000000, -0.0007681800000000 ] - [ -0.0011999000000000, -0.0027334100000000, -0.0005670400000000 ] - [ -0.0007799600000000, -0.0015392700000000, -0.0010266400000000 ] - [ -0.0007119000000000, 0.0014663400000000, -0.0009745900000000 ] - [ -0.0006477900000000, 0.0022663200000000, -0.0005616700000000 ] - [ -0.0009021700000000, 0.0011478600000000, -0.0009839300000000 ] - [ -0.0004446800000000, 0.0007663100000000, -0.0009667200000000 ] - [ 0.0016080500000000, -0.0000743200000000, -0.0009993200000000 ] - [ 0.0016743200000000, 0.0002783800000000, -0.0008116800000000 ] - [ 0.0009711800000000, -0.0000230900000000, -0.0008491300000000 ] - [ 0.0022452700000000, -0.0000086100000000, -0.0009467500000000 ] - [ -0.0008718600000000, -0.0005604800000000, -0.0017489200000000 ] - [ -0.0008637300000000, -0.0002808500000000, -0.0017764700000000 ] - [ -0.0006678100000000, -0.0010807700000000, -0.0012474900000000 ] - [ -0.0004582400000000, -0.0017909000000000, -0.0005820100000000 ] - [ 0.0000803100000000, 0.0009181700000000, -0.0018888700000000 ] - [ -0.0004241900000000, 0.0006947400000000, -0.0017561600000000 ] - [ -0.0038155200000000, -0.0013833800000000, -0.0012444300000000 ] - [ -0.0000232800000000, 0.0009271700000000, -0.0019471600000000 ] - [ 0.0015181100000000, 0.0011693700000000, -0.0000339600000000 ] - [ 0.0009218800000000, 0.0006783500000000, -0.0017794600000000 ] - [ 0.0009200200000000, -0.0006104900000000, -0.0020082500000000 ] - [ 0.0011358800000000, -0.0005953600000000, -0.0017180100000000 ] - [ -0.0007113100000000, -0.0010620900000000, -0.0011686200000000 ] - [ -0.0001296800000000, -0.0008102800000000, -0.0013226500000000 ] - [ -0.0009671400000000, -0.0016761000000000, -0.0009447400000000 ] - [ -0.0014229100000000, -0.0028865000000000, -0.0006919900000000 ] - [ -0.0011078900000000, 0.0008637300000000, -0.0006730200000000 ] - [ -0.0011363900000000, 0.0016128000000000, -0.0010739100000000 ] - [ -0.0004910500000000, 0.0005087700000000, -0.0012282500000000 ] - [ -0.0007638400000000, 0.0012497200000000, -0.0009183600000000 ] - [ 0.0007051400000000, 0.0003558200000000, -0.0018237100000000 ] - [ 0.0017770700000000, 0.0000442000000000, -0.0009822400000000 ] - [ 0.0019998200000000, -0.0003045300000000, -0.0009647600000000 ] - [ 0.0010278900000000, -0.0000500500000000, -0.0010245200000000 ] - [ -0.0006750500000000, -0.0006828300000000, -0.0016046000000000 ] - [ -0.0172005500000000, -0.0839566400000000, 0.0534334700000000 ] - [ -0.0008153400000000, -0.0012382300000000, -0.0013287100000000 ] - [ -0.0000398000000000, -0.0016480700000000, -0.0009865100000000 ] - [ 0.0001561500000000, -0.0000778300000000, 0.0006459500000000 ] - [ -0.0004854800000000, 0.0000948700000000, 0.0005389000000000 ] - [ 0.0002611600000000, 0.0002310600000000, 0.0006521200000000 ] - [ -0.0004332300000000, 0.0006252400000000, 0.0000622200000000 ] - [ 0.0058681300000000, -0.0090908600000000, 0.0060885000000000 ] - [ -0.0003177500000000, -0.0005593900000000, 0.0007151800000000 ] - [ -0.0003311000000000, 0.0009083600000000, 0.0008544700000000 ] - [ 0.0005120500000000, 0.0010439500000000, 0.0006933000000000 ] - [ -0.0006343400000000, 0.0000811900000000, 0.0011976000000000 ] - [ -0.0013148600000000, -0.0025268600000000, 0.0020661400000000 ] - [ 0.0007808200000000, 0.0010444900000000, 0.0005049400000000 ] - [ -0.0005427200000000, 0.0005702300000000, 0.0007309200000000 ] - [ 0.0001634000000000, -0.0001274100000000, 0.0018329400000000 ] - [ 0.0012231100000000, -0.0016039500000000, 0.0013520100000000 ] - [ 0.0002087900000000, 0.0001562600000000, 0.0018122900000000 ] - [ -0.0011621600000000, 0.0015287700000000, 0.0024767500000000 ] - [ 0.0015827200000000, -0.0006161400000000, 0.0007741000000000 ] - [ -0.0002523800000000, -0.0002411400000000, 0.0024864700000000 ] - [ -0.0001820600000000, 0.0004398400000000, 0.0024742700000000 ] - [ 0.0001977400000000, 0.0002844200000000, 0.0025334800000000 ] - [ -0.0003043300000000, -0.0000114200000000, -0.0007516100000000 ] - [ 0.0014073300000000, -0.0006640100000000, -0.0025073100000000 ] - [ 0.0003481000000000, 0.0003272400000000, -0.0005093200000000 ] - [ -0.0002706300000000, 0.0003195300000000, -0.0005934900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0017218800000000, -0.0008630700000000, 0.0018109400000000 ] - [ -0.0018130100000000, -0.0011864000000000, 0.0016301100000000 ] - [ -0.0013914200000000, -0.0007669000000000, 0.0020323800000000 ] - [ -0.0015387500000000, -0.0007730100000000, 0.0019573700000000 ] - [ 0.0016666800000000, -0.0010263000000000, 0.0017313100000000 ] - [ 0.0010210000000000, -0.0003528000000000, 0.0016123400000000 ] - [ 0.0015345100000000, -0.0010179500000000, 0.0018981500000000 ] - [ 0.0014535700000000, -0.0009432000000000, 0.0019542300000000 ] - [ 0.0000356700000000, 0.0013974300000000, 0.0021468000000000 ] - [ 0.0001830400000000, 0.0016645300000000, 0.0020602000000000 ] - [ -0.0003273300000000, 0.0021893000000000, 0.0013259200000000 ] - [ 0.0001160600000000, 0.0019038400000000, 0.0018278700000000 ] - [ -0.0016052000000000, -0.0014616600000000, 0.0021797800000000 ] - [ -0.0016671600000000, -0.0008075600000000, 0.0018414100000000 ] - [ -0.0018007300000000, -0.0008541200000000, 0.0017259300000000 ] - [ -0.0016402300000000, -0.0007567900000000, 0.0019163700000000 ] - [ 0.0019634900000000, -0.0008988500000000, 0.0018056000000000 ] - [ 0.0015355800000000, -0.0010667200000000, 0.0017936000000000 ] - [ 0.0017118600000000, -0.0010949300000000, 0.0016787700000000 ] - [ 0.0014941300000000, -0.0010025300000000, 0.0018565700000000 ] - [ -0.0003719800000000, 0.0019549000000000, 0.0013774000000000 ] - [ 0.0003329600000000, 0.0020658100000000, 0.0016930600000000 ] - [ 0.0001074100000000, 0.0017385900000000, 0.0018992200000000 ] - [ 0.0003728900000000, 0.0025534700000000, 0.0015776900000000 ] - [ -0.0014921300000000, -0.0004677000000000, 0.0023216100000000 ] - [ -0.0017333000000000, -0.0007395100000000, 0.0016469400000000 ] - [ -0.0016692500000000, -0.0008175200000000, 0.0018320100000000 ] - [ -0.0014910500000000, -0.0007146900000000, 0.0019962600000000 ] - [ 0.0013869300000000, -0.0009770900000000, 0.0019561400000000 ] - [ 0.0020554900000000, -0.0005403500000000, 0.0017910500000000 ] - [ -0.0000861000000000, 0.0005442800000000, 0.0023578300000000 ] - [ 0.0013782700000000, -0.0009489200000000, 0.0019750000000000 ] - [ 0.0000912000000000, 0.0017996100000000, 0.0019591600000000 ] - [ 0.0322660300000000, -0.0211053200000000, 0.0812481500000000 ] - [ 0.0001362600000000, 0.0017454100000000, 0.0019026500000000 ] - [ 0.0002018300000000, 0.0018951600000000, 0.0018417500000000 ] - [ -0.0005665500000000, 0.0009680500000000, -0.0014664300000000 ] - [ -0.0000073700000000, 0.0006451600000000, -0.0008612300000000 ] - [ -0.0003667000000000, 0.0010726300000000, -0.0015521400000000 ] - [ -0.0003746500000000, 0.0010286400000000, -0.0016479300000000 ] - [ 0.0011365500000000, -0.0001335600000000, -0.0014730500000000 ] - [ 0.0007128500000000, 0.0004672400000000, -0.0012496100000000 ] - [ 0.0010464600000000, -0.0002480100000000, -0.0016692700000000 ] - [ 0.0010974700000000, -0.0002677400000000, -0.0016595600000000 ] - [ -0.0022597200000000, 0.1058048300000000, -0.1009607800000000 ] - [ -0.0006900300000000, -0.0013498800000000, -0.0010364200000000 ] - [ -0.0007541200000000, -0.0014644200000000, -0.0010617500000000 ] - [ -0.0007528500000000, -0.0012389200000000, -0.0009891900000000 ] - [ -0.0001322700000000, -0.0001087100000000, -0.0021037800000000 ] - [ -0.0007205600000000, 0.0011170900000000, -0.0010167900000000 ] - [ -0.0006850100000000, 0.0013200900000000, -0.0010474500000000 ] - [ -0.0010433700000000, 0.0019556400000000, -0.0013660300000000 ] - [ 0.0008073700000000, -0.0001789700000000, -0.0021138700000000 ] - [ 0.0024693800000000, -0.0003663100000000, -0.0013646100000000 ] - [ 0.0015958500000000, -0.0000009800000000, -0.0010163800000000 ] - [ 0.0014221100000000, -0.0000212900000000, -0.0010469200000000 ] - [ -0.0007072500000000, -0.0006597600000000, -0.0017946000000000 ] - [ -0.0007590200000000, -0.0006655800000000, -0.0016307300000000 ] - [ -0.0003529600000000, -0.0013948400000000, -0.0010870400000000 ] - [ -0.0006910200000000, -0.0009072900000000, -0.0014940600000000 ] - [ -0.0002134600000000, 0.0007641300000000, -0.0012007700000000 ] - [ -0.0003515000000000, 0.0010896500000000, -0.0014433100000000 ] - [ -0.0004909600000000, 0.0010271700000000, -0.0013224900000000 ] - [ -0.0003595300000000, 0.0010236600000000, -0.0014544100000000 ] - [ 0.0003413700000000, 0.0012912300000000, 0.0008227200000000 ] - [ 0.0011080000000000, -0.0002279300000000, -0.0014500700000000 ] - [ 0.0011602600000000, -0.0001352100000000, -0.0013537000000000 ] - [ 0.0010315700000000, -0.0002280600000000, -0.0014631600000000 ] - [ -0.0007260100000000, -0.0009178400000000, -0.0009466700000000 ] - [ -0.0007512500000000, -0.0011088200000000, -0.0009113100000000 ] - [ -0.0008200800000000, -0.0017057100000000, -0.0007736700000000 ] - [ -0.0008262100000000, -0.0014139600000000, -0.0009846600000000 ] - [ -0.0007916400000000, 0.0014092100000000, -0.0009264000000000 ] - [ 0.0000801700000000, 0.0009062700000000, -0.0000277900000000 ] - [ -0.0007740400000000, 0.0013656400000000, -0.0010035700000000 ] - [ -0.0007295500000000, 0.0012795900000000, -0.0010031200000000 ] - [ 0.0016497100000000, 0.0000145500000000, -0.0009780300000000 ] - [ 0.0016305000000000, 0.0003057300000000, -0.0006749700000000 ] - [ 0.0013539700000000, -0.0001738200000000, -0.0009882900000000 ] - [ 0.0015013900000000, -0.0000767100000000, -0.0010248100000000 ] - [ -0.0006390800000000, -0.0008739100000000, -0.0010277800000000 ] - [ -0.0007863000000000, -0.0009563200000000, -0.0012331500000000 ] - [ -0.0007083300000000, -0.0007824600000000, -0.0014891700000000 ] - [ -0.0006598300000000, -0.0012589900000000, -0.0010895700000000 ] - [ -0.0002470300000000, 0.0011004900000000, -0.0016442500000000 ] - [ -0.0005512100000000, 0.0013591200000000, -0.0018514200000000 ] - [ 0.0004953700000000, 0.0023596100000000, -0.0020760800000000 ] - [ -0.0002787200000000, 0.0009858400000000, -0.0016523700000000 ] - [ 0.0009984100000000, -0.0003862500000000, -0.0018233400000000 ] - [ 0.0015983700000000, -0.0003010900000000, -0.0016482100000000 ] - [ 0.0011004700000000, -0.0001618600000000, -0.0015561800000000 ] - [ 0.0010321100000000, -0.0003306400000000, -0.0016754000000000 ] - [ -0.0006908800000000, -0.0015645100000000, -0.0009150400000000 ] - [ -0.0010615600000000, -0.0015256600000000, -0.0009520300000000 ] - [ -0.0007231400000000, -0.0012841300000000, -0.0009881600000000 ] - [ -0.0011472000000000, -0.0020602600000000, -0.0007784600000000 ] - [ -0.0009691600000000, 0.0011934700000000, -0.0006784400000000 ] - [ -0.0008296300000000, 0.0014270100000000, -0.0010298600000000 ] - [ -0.0009263900000000, 0.0016203100000000, -0.0009936400000000 ] - [ -0.0007768000000000, 0.0013190800000000, -0.0009822200000000 ] - [ 0.0012886200000000, 0.0006670600000000, -0.0000414500000000 ] - [ 0.0016166700000000, -0.0000172600000000, -0.0010070300000000 ] - [ 0.0017398600000000, -0.0000784000000000, -0.0009303800000000 ] - [ 0.0015543600000000, 0.0000364400000000, -0.0010067600000000 ] - [ -0.0006522600000000, -0.0008088100000000, -0.0016375700000000 ] - [ -0.0317458800000000, -0.0859449200000000, 0.0094688200000000 ] - [ -0.0007103200000000, -0.0008042700000000, -0.0016097400000000 ] - [ -0.0007776300000000, -0.0008658600000000, -0.0015168400000000 ] - [ -0.0000288900000000, 0.0000852700000000, 0.0006429300000000 ] - [ 0.0005267100000000, 0.0001411000000000, -0.0001991800000000 ] - [ -0.0000710600000000, -0.0001440100000000, 0.0006160700000000 ] - [ -0.0000294900000000, 0.0000391700000000, 0.0002489000000000 ] - [ 0.0027472500000000, -0.0016041500000000, 0.0098908000000000 ] - [ -0.0002165400000000, 0.0002461200000000, 0.0009804200000000 ] - [ -0.0001008500000000, -0.0000671700000000, 0.0007517500000000 ] - [ 0.0001664700000000, 0.0000805100000000, 0.0007992600000000 ] - [ -0.0000159500000000, -0.0001482500000000, 0.0007856100000000 ] - [ -0.0014949200000000, -0.0023556100000000, -0.0020780100000000 ] - [ 0.0000415200000000, -0.0000217300000000, 0.0009816800000000 ] - [ 0.0000100800000000, 0.0001700500000000, 0.0007884200000000 ] - [ -0.0000533800000000, 0.0000504700000000, 0.0018070700000000 ] - [ -0.0001950800000000, 0.0008166900000000, 0.0022893500000000 ] - [ -0.0000518200000000, -0.0001372500000000, 0.0018239700000000 ] - [ -0.0007298400000000, 0.0005946400000000, 0.0021626400000000 ] - [ -0.0007538100000000, 0.0002049900000000, 0.0037287500000000 ] - [ -0.0001739500000000, 0.0000677900000000, 0.0024164800000000 ] - [ -0.0000463500000000, -0.0000091200000000, 0.0025123000000000 ] - [ 0.0000551900000000, -0.0000610900000000, 0.0024982000000000 ] - [ -0.0000981400000000, -0.0000483600000000, -0.0006489900000000 ] - [ 0.0009021400000000, -0.0000347300000000, -0.0014515400000000 ] - [ -0.0000899300000000, -0.0001515200000000, -0.0006915000000000 ] - [ 0.0000151500000000, 0.0000930100000000, -0.0006330900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0015136300000000, -0.0007375700000000, 0.0019683300000000 ] - [ -0.0014149700000000, -0.0004236900000000, 0.0021403900000000 ] - [ -0.0018362700000000, -0.0008305400000000, 0.0017515900000000 ] - [ -0.0017021900000000, -0.0008302300000000, 0.0018175200000000 ] - [ 0.0013397100000000, -0.0009769400000000, 0.0020446500000000 ] - [ 0.0019772200000000, -0.0016340400000000, 0.0021678300000000 ] - [ 0.0014685900000000, -0.0009846100000000, 0.0018825800000000 ] - [ 0.0015458900000000, -0.0010567400000000, 0.0018288700000000 ] - [ 0.0001926300000000, 0.0021966500000000, 0.0016365700000000 ] - [ 0.0000485900000000, 0.0019330700000000, 0.0017207200000000 ] - [ 0.0005583100000000, 0.0014217500000000, 0.0024449500000000 ] - [ 0.0001151300000000, 0.0016974300000000, 0.0019517800000000 ] - [ -0.0016352200000000, -0.0001530600000000, 0.0015084700000000 ] - [ -0.0015849300000000, -0.0008068300000000, 0.0018754500000000 ] - [ -0.0014523900000000, -0.0007596300000000, 0.0019913700000000 ] - [ -0.0016069800000000, -0.0008558300000000, 0.0018055800000000 ] - [ 0.0010782300000000, -0.0010902800000000, 0.0019195600000000 ] - [ 0.0014888200000000, -0.0009434300000000, 0.0019241100000000 ] - [ 0.0013049700000000, -0.0009110800000000, 0.0020442800000000 ] - [ 0.0015275700000000, -0.0010063200000000, 0.0018625900000000 ] - [ 0.0005993700000000, 0.0016700600000000, 0.0023415500000000 ] - [ -0.0001068300000000, 0.0015487300000000, 0.0020301900000000 ] - [ 0.0001213000000000, 0.0018840800000000, 0.0018186100000000 ] - [ -0.0001432000000000, 0.0010764700000000, 0.0021371300000000 ] - [ -0.0017558900000000, -0.0011403400000000, 0.0013886200000000 ] - [ -0.0015379000000000, -0.0008582600000000, 0.0020657400000000 ] - [ -0.0015816400000000, -0.0007683300000000, 0.0018999100000000 ] - [ -0.0017645900000000, -0.0008724200000000, 0.0017320000000000 ] - [ 0.0016122800000000, -0.0010482900000000, 0.0017760700000000 ] - [ 0.0009393200000000, -0.0014916900000000, 0.0019331700000000 ] - [ 0.0030655400000000, -0.0025556500000000, 0.0013385200000000 ] - [ 0.0016197200000000, -0.0010728300000000, 0.0017562200000000 ] - [ 0.0001617200000000, 0.0018099600000000, 0.0017699000000000 ] - [ -0.0328029700000000, 0.0231574800000000, -0.0774356800000000 ] - [ 0.0001160800000000, 0.0018711000000000, 0.0018228000000000 ] - [ 0.0000513700000000, 0.0017243900000000, 0.0018814900000000 ] - [ -0.0001529100000000, 0.0011270700000000, -0.0016194800000000 ] - [ -0.0007045500000000, 0.0014576700000000, -0.0022158600000000 ] - [ -0.0003486700000000, 0.0010207900000000, -0.0015349700000000 ] - [ -0.0003378300000000, 0.0010644700000000, -0.0014415900000000 ] - [ 0.0010350000000000, -0.0002947500000000, -0.0016139100000000 ] - [ 0.0014738000000000, -0.0008884600000000, -0.0018429600000000 ] - [ 0.0011220000000000, -0.0001834500000000, -0.0014215200000000 ] - [ 0.0010775100000000, -0.0001601800000000, -0.0014213600000000 ] - [ 0.0017745100000000, -0.1082895800000000, 0.0986633400000000 ] - [ -0.0008734700000000, -0.0013001500000000, -0.0009657900000000 ] - [ -0.0008124000000000, -0.0011950800000000, -0.0009399700000000 ] - [ -0.0008149300000000, -0.0014181100000000, -0.0010139500000000 ] - [ -0.0013531300000000, 0.0027844700000000, 0.0000982900000000 ] - [ -0.0007888000000000, 0.0015640300000000, -0.0009864100000000 ] - [ -0.0008283400000000, 0.0013587400000000, -0.0009565000000000 ] - [ -0.0004734200000000, 0.0007225400000000, -0.0006302900000000 ] - [ 0.0022978300000000, 0.0001536900000000, 0.0000882300000000 ] - [ 0.0006099200000000, 0.0003422400000000, -0.0006287600000000 ] - [ 0.0014808200000000, -0.0000313600000000, -0.0009860200000000 ] - [ 0.0016583200000000, -0.0000090300000000, -0.0009559500000000 ] - [ -0.0007473600000000, -0.0010049500000000, -0.0012946500000000 ] - [ -0.0006984200000000, -0.0009988800000000, -0.0014572400000000 ] - [ -0.0011018700000000, -0.0002775900000000, -0.0019910300000000 ] - [ -0.0007645700000000, -0.0007593100000000, -0.0015914900000000 ] - [ -0.0005304100000000, 0.0013082400000000, -0.0017433400000000 ] - [ -0.0003907900000000, 0.0009894500000000, -0.0015082700000000 ] - [ -0.0002450800000000, 0.0010498600000000, -0.0016341000000000 ] - [ -0.0003815600000000, 0.0010534900000000, -0.0014987600000000 ] - [ 0.0018271500000000, -0.0016967900000000, -0.0037765700000000 ] - [ 0.0010628600000000, -0.0001688100000000, -0.0015015300000000 ] - [ 0.0010112300000000, -0.0002635100000000, -0.0015986500000000 ] - [ 0.0011358500000000, -0.0001722700000000, -0.0014924800000000 ] - [ -0.0008322900000000, -0.0017229500000000, -0.0010436600000000 ] - [ -0.0008080300000000, -0.0015352700000000, -0.0010777900000000 ] - [ -0.0007434700000000, -0.0009513100000000, -0.0012148900000000 ] - [ -0.0007331800000000, -0.0012348200000000, -0.0010066500000000 ] - [ -0.0007227400000000, 0.0012693700000000, -0.0010640500000000 ] - [ -0.0015625800000000, 0.0017754800000000, -0.0019513000000000 ] - [ -0.0007400400000000, 0.0013081500000000, -0.0009878800000000 ] - [ -0.0007809800000000, 0.0013912100000000, -0.0009879700000000 ] - [ 0.0014236300000000, -0.0000416500000000, -0.0010124100000000 ] - [ 0.0014384100000000, -0.0003299800000000, -0.0013147900000000 ] - [ 0.0017115800000000, 0.0001443800000000, -0.0010016000000000 ] - [ 0.0015783600000000, 0.0000501900000000, -0.0009653400000000 ] - [ -0.0007900100000000, -0.0008038600000000, -0.0019180000000000 ] - [ -0.0006430600000000, -0.0007196700000000, -0.0017208800000000 ] - [ -0.0007207100000000, -0.0008986500000000, -0.0014625500000000 ] - [ -0.0007675100000000, -0.0004270100000000, -0.0018578100000000 ] - [ -0.0004975100000000, 0.0009598100000000, -0.0014784800000000 ] - [ -0.0001930700000000, 0.0006961700000000, -0.0012675900000000 ] - [ -0.0012417800000000, -0.0002822400000000, -0.0010173000000000 ] - [ -0.0004662700000000, 0.0010751200000000, -0.0014708700000000 ] - [ 0.0011625900000000, 0.0000133700000000, -0.0012892900000000 ] - [ 0.0005655400000000, -0.0000684800000000, -0.0014640700000000 ] - [ 0.0010565600000000, -0.0002251300000000, -0.0015680700000000 ] - [ 0.0011277500000000, -0.0000552200000000, -0.0014452900000000 ] - [ -0.0008684300000000, -0.0011404900000000, -0.0010816600000000 ] - [ -0.0004952500000000, -0.0011757300000000, -0.0010490100000000 ] - [ -0.0008402500000000, -0.0014244200000000, -0.0010101900000000 ] - [ -0.0004184700000000, -0.0006548100000000, -0.0012196900000000 ] - [ -0.0005987400000000, 0.0015049000000000, -0.0013184400000000 ] - [ -0.0007343500000000, 0.0012803100000000, -0.0009705000000000 ] - [ -0.0006344000000000, 0.0010814300000000, -0.0010069800000000 ] - [ -0.0007854300000000, 0.0013872300000000, -0.0010167100000000 ] - [ 0.0018310300000000, -0.0006626200000000, -0.0019651200000000 ] - [ 0.0015095500000000, 0.0000177700000000, -0.0009913500000000 ] - [ 0.0013890200000000, 0.0000765600000000, -0.0010679600000000 ] - [ 0.0015670700000000, -0.0000362600000000, -0.0009916800000000 ] - [ -0.0007591100000000, -0.0008666700000000, -0.0014828100000000 ] - [ 0.0303993400000000, 0.0856566100000000, -0.0121646100000000 ] - [ -0.0007011700000000, -0.0008762600000000, -0.0015079200000000 ] - [ -0.0006290600000000, -0.0008163200000000, -0.0015996600000000 ] - [ 0.0000310900000000, -0.0000850700000000, 0.0008343500000000 ] - [ -0.0005303600000000, -0.0001374600000000, 0.0016737500000000 ] - [ 0.0000741300000000, 0.0001467500000000, 0.0008629000000000 ] - [ 0.0000242600000000, -0.0000325800000000, 0.0012264200000000 ] - [ -0.0031674700000000, 0.0015363300000000, -0.0086932000000000 ] - [ 0.0002145600000000, -0.0002508100000000, 0.0004856300000000 ] - [ 0.0000990700000000, 0.0000745100000000, 0.0007162800000000 ] - [ -0.0001631600000000, -0.0000716700000000, 0.0006670300000000 ] - [ 0.0000123600000000, 0.0001487100000000, 0.0007116100000000 ] - [ 0.0015380400000000, 0.0023426400000000, 0.0036193100000000 ] - [ -0.0000350900000000, 0.0000276900000000, 0.0005113900000000 ] - [ -0.0000136300000000, -0.0001655400000000, 0.0007027300000000 ] - [ 0.0000538000000000, -0.0000509600000000, 0.0017348500000000 ] - [ 0.0001683000000000, -0.0007861500000000, 0.0012615000000000 ] - [ 0.0000536300000000, 0.0001386900000000, 0.0017174600000000 ] - [ 0.0007244300000000, -0.0005857300000000, 0.0013819100000000 ] - [ 0.0007096700000000, -0.0002070600000000, 0.0013500600000000 ] - [ 0.0001714700000000, -0.0000690000000000, 0.0026118900000000 ] - [ 0.0000453200000000, 0.0000132800000000, 0.0025158200000000 ] - [ -0.0000537400000000, 0.0000648200000000, 0.0025302400000000 ] - [ 0.0000959500000000, 0.0000486900000000, -0.0005860400000000 ] - [ -0.0008919700000000, 0.0000299800000000, 0.0002091900000000 ] - [ 0.0000926800000000, 0.0001543900000000, -0.0005421300000000 ] - [ -0.0000169700000000, -0.0000897000000000, -0.0006000500000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0020985500000000, -0.0009842700000000, 0.0014633100000000 ] - [ -0.0011753700000000, -0.0006398800000000, 0.0023221800000000 ] - [ 0.0078826900000000, -0.0107091300000000, -0.0120565400000000 ] - [ 0.0003560400000000, 0.0001647600000000, 0.0033328100000000 ] - [ 0.0008684600000000, 0.0007407000000000, 0.0080430000000000 ] - [ 0.0023170700000000, -0.0017085700000000, 0.0011776500000000 ] - [ 0.0026075800000000, -0.0015302000000000, 0.0008143600000000 ] - [ 0.0013046500000000, -0.0005401300000000, 0.0025224700000000 ] - [ 0.0003655500000000, 0.0027722400000000, 0.0015239400000000 ] - [ -0.0000032600000000, 0.0012048500000000, 0.0021714300000000 ] - [ 0.0003388800000000, 0.0016957700000000, 0.0016875700000000 ] - [ 0.0144790500000000, 0.0064388800000000, 0.0094546700000000 ] - [ 0.0001241700000000, 0.0002742700000000, 0.0036708600000000 ] - [ -0.0011179800000000, -0.0119336100000000, -0.0094137000000000 ] - [ -0.0010262200000000, -0.0005703800000000, 0.0020033000000000 ] - [ -0.0022124600000000, -0.0011694700000000, 0.0017571300000000 ] - [ 0.0009105800000000, -0.0003936400000000, 0.0020013200000000 ] - [ 0.0025274700000000, -0.0015826600000000, 0.0008445800000000 ] - [ 0.0025773100000000, -0.0017554900000000, 0.0011960100000000 ] - [ -0.0127253100000000, 0.0045245700000000, 0.0079331400000000 ] - [ 0.0078352500000000, 0.0117660300000000, 0.0072819400000000 ] - [ 0.0003692700000000, 0.0019455200000000, 0.0018211600000000 ] - [ 0.0000951800000000, 0.0011495700000000, 0.0023818700000000 ] - [ 0.0000650400000000, 0.0026928900000000, 0.0010685200000000 ] - [ -0.0011544700000000, -0.0007958700000000, 0.0014294600000000 ] - [ -0.0012020200000000, -0.0005972200000000, 0.0023516100000000 ] - [ -0.0009086400000000, -0.0005831500000000, 0.0021449400000000 ] - [ -0.0020768300000000, -0.0009232200000000, 0.0014415400000000 ] - [ 0.0015928600000000, -0.0010396800000000, 0.0019875100000000 ] - [ 0.0013476200000000, -0.0009978600000000, 0.0018049200000000 ] - [ 0.0020975000000000, -0.0011963700000000, 0.0020916000000000 ] - [ 0.0020723600000000, -0.0024871300000000, 0.0014149200000000 ] - [ 0.0001559400000000, 0.0007432900000000, 0.0020618800000000 ] - [ 0.0001084000000000, 0.0024156300000000, 0.0014383300000000 ] - [ -0.0006200800000000, 0.0009835600000000, 0.0027501000000000 ] - [ 0.0003302100000000, 0.0024427500000000, 0.0014631500000000 ] - [ 0.0019882600000000, 0.0018759100000000, -0.0063359000000000 ] - [ -0.0011370600000000, 0.0010504300000000, -0.0009143800000000 ] - [ -0.0011066500000000, 0.0013451300000000, -0.0008523200000000 ] - [ -0.0002450000000000, 0.0004547100000000, -0.0019675000000000 ] - [ 0.0011856900000000, 0.0002610000000000, -0.0012042300000000 ] - [ 0.0009452500000000, -0.0006488900000000, -0.0018541500000000 ] - [ -0.0005711900000000, 0.0045721900000000, 0.0037948000000000 ] - [ 0.0000094600000000, -0.0011329400000000, -0.0027254600000000 ] - [ -0.0014133000000000, -0.0018750900000000, -0.0010313100000000 ] - [ -0.0000942800000000, -0.0003645400000000, -0.0004740200000000 ] - [ -0.0013157600000000, -0.0019351700000000, -0.0010745800000000 ] - [ 0.0002406300000000, -0.0002387500000000, -0.0010282200000000 ] - [ -0.0010864300000000, 0.0014660000000000, -0.0011452600000000 ] - [ -0.0015111000000000, 0.0024152700000000, -0.0009572300000000 ] - [ -0.0008277200000000, 0.0013851900000000, -0.0010919200000000 ] - [ -0.0006124800000000, 0.0012596300000000, -0.0009130900000000 ] - [ 0.0016944700000000, -0.0004732600000000, -0.0010184500000000 ] - [ 0.0008973700000000, 0.0003419300000000, -0.0010603200000000 ] - [ 0.0006789300000000, 0.0001036400000000, -0.0008394300000000 ] - [ 0.0024479800000000, -0.0003534900000000, -0.0013857200000000 ] - [ -0.0005873500000000, -0.0014262200000000, -0.0010526100000000 ] - [ -0.0008103100000000, -0.0004941700000000, -0.0018626200000000 ] - [ -0.0015457700000000, -0.0009008300000000, -0.0014609600000000 ] - [ -0.0038441000000000, -0.0014992600000000, -0.0021364700000000 ] - [ -0.0002616700000000, 0.0003595200000000, -0.0016080000000000 ] - [ -0.0010516700000000, 0.0018733900000000, -0.0008619400000000 ] - [ -0.0012774100000000, 0.0009314500000000, -0.0008439900000000 ] - [ 0.0088829700000000, 0.0028846200000000, -0.0066999700000000 ] - [ -0.0003366400000000, -0.0010884300000000, -0.0027029800000000 ] - [ 0.0002371900000000, 0.0049293600000000, 0.0037602600000000 ] - [ 0.0009197100000000, -0.0004772700000000, -0.0017084700000000 ] - [ 0.0012876000000000, 0.0001091200000000, -0.0012681300000000 ] - [ -0.0009192600000000, -0.0023024500000000, -0.0009571600000000 ] - [ -0.0007852200000000, -0.0007047400000000, -0.0009843400000000 ] - [ -0.0016417600000000, -0.0010912300000000, -0.0010096300000000 ] - [ -0.0046501400000000, -0.0020213200000000, -0.0025260500000000 ] - [ 0.0007576700000000, -0.0019213300000000, -0.0022831500000000 ] - [ -0.0015197200000000, 0.0020023800000000, -0.0008561900000000 ] - [ -0.0012741700000000, 0.0030777000000000, -0.0010353300000000 ] - [ -0.0011448900000000, 0.0003464100000000, -0.0011169800000000 ] - [ 0.0019768800000000, 0.0000193600000000, -0.0008599300000000 ] - [ 0.0011181900000000, -0.0000278400000000, -0.0011466200000000 ] - [ 0.0026881300000000, 0.0026574100000000, 0.0017872100000000 ] - [ -0.0011414100000000, 0.0000417400000000, -0.0009914400000000 ] - [ 0.0007425600000000, -0.0059216200000000, -0.0015226200000000 ] - [ -0.0014167800000000, -0.0009414600000000, -0.0015575000000000 ] - [ -0.0011048000000000, -0.0003881300000000, -0.0018796000000000 ] - [ -0.0002749000000000, -0.0015035100000000, -0.0008697700000000 ] - [ -0.0003776200000000, 0.0009786000000000, -0.0016058100000000 ] - [ -0.0002922000000000, 0.0010978700000000, -0.0015283600000000 ] - [ -0.0012453600000000, 0.0008948800000000, -0.0016401900000000 ] - [ -0.0007905000000000, 0.0010094200000000, -0.0006398900000000 ] - [ 0.0016299700000000, -0.0006699900000000, -0.0019747200000000 ] - [ 0.0005964700000000, -0.0002704600000000, -0.0017770900000000 ] - [ 0.0005976800000000, -0.0001129100000000, -0.0018619900000000 ] - [ 0.0015691100000000, -0.0004754100000000, -0.0014542200000000 ] - [ 0.0056415500000000, -0.0045834700000000, 0.0021374900000000 ] - [ -0.0015910700000000, -0.0014570300000000, -0.0012151200000000 ] - [ -0.0004544500000000, -0.0007822300000000, -0.0010998000000000 ] - [ -0.0012226000000000, -0.0022004800000000, -0.0008351200000000 ] - [ -0.0004556200000000, 0.0003182200000000, -0.0006765500000000 ] - [ -0.0014276400000000, 0.0026544600000000, -0.0010171700000000 ] - [ -0.0017320300000000, 0.0021647900000000, -0.0010109800000000 ] - [ 0.0100157500000000, -0.0022004000000000, -0.0037866400000000 ] - [ -0.0008396400000000, 0.0000478700000000, -0.0011484700000000 ] - [ 0.0102705900000000, 0.0005792400000000, -0.0010908900000000 ] - [ 0.0010472100000000, -0.0004144000000000, -0.0008884200000000 ] - [ 0.0021328900000000, 0.0004134700000000, -0.0011074000000000 ] - [ -0.0007709300000000, 0.0001330400000000, -0.0015916000000000 ] - [ -0.0007805900000000, -0.0013322300000000, -0.0013768900000000 ] - [ -0.0002443200000000, -0.0002470500000000, -0.0020711500000000 ] - [ -0.0010630300000000, -0.0012379600000000, -0.0012162300000000 ] - [ -0.0529780100000000, -0.0000136200000000, 0.0006037400000000 ] - [ 0.0024865900000000, -0.0001128600000000, 0.0006300100000000 ] - [ 0.0000116100000000, -0.0013153800000000, 0.0011531500000000 ] - [ 0.0002071600000000, 0.0014292700000000, 0.0004373400000000 ] - [ 0.0022335000000000, 0.0023537600000000, 0.0030817000000000 ] - [ 0.0023619000000000, -0.0018308600000000, -0.0011314100000000 ] - [ 0.0007992400000000, -0.0000432000000000, 0.0007348900000000 ] - [ -0.0013262700000000, 0.0001538700000000, 0.0002542700000000 ] - [ -0.0013265400000000, -0.0003018700000000, 0.0006429200000000 ] - [ 0.0007995900000000, 0.0000439600000000, 0.0007464400000000 ] - [ 0.0023619300000000, -0.0022808100000000, -0.0007125100000000 ] - [ 0.0022382200000000, 0.0019044400000000, 0.0023097900000000 ] - [ -0.0030357100000000, 0.0004189900000000, 0.0017704600000000 ] - [ 0.0011348200000000, -0.0000352500000000, 0.0018177900000000 ] - [ 0.0000538300000000, -0.0006298700000000, 0.0016417100000000 ] - [ 0.0000795300000000, 0.0006035900000000, 0.0018536100000000 ] - [ 0.0013915000000000, 0.0014134100000000, 0.0013330400000000 ] - [ 0.0012324000000000, -0.0015452300000000, 0.0034866900000000 ] - [ 0.0005368800000000, -0.0000003300000000, 0.0025146200000000 ] - [ -0.0012503300000000, 0.0000694600000000, 0.0027195700000000 ] - [ -0.0016766100000000, -0.0001935700000000, -0.0003536300000000 ] - [ 0.0005660600000000, 0.0000714400000000, -0.0006160900000000 ] - [ 0.0016699200000000, -0.0020744300000000, -0.0000204700000000 ] - [ 0.0016171800000000, 0.0017583200000000, -0.0014696900000000 ]- atom: 109 displacement: [ -0.0100000000000000, -0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0011376700000000, -0.0006163600000000, 0.0023191500000000 ] - [ -0.0020600600000000, -0.0009590900000000, 0.0014586200000000 ] - [ -0.0109712100000000, 0.0089516100000000, 0.0154957600000000 ] - [ -0.0035972800000000, -0.0017660500000000, 0.0004447100000000 ] - [ 0.0021604700000000, -0.0028248400000000, -0.0041767300000000 ] - [ 0.0006852100000000, -0.0002954300000000, 0.0026034700000000 ] - [ 0.0003955300000000, -0.0004725700000000, 0.0029646400000000 ] - [ 0.0017010500000000, -0.0014665900000000, 0.0012581600000000 ] - [ -0.0001315800000000, 0.0008266400000000, 0.0022596900000000 ] - [ 0.0002361100000000, 0.0023973900000000, 0.0016079600000000 ] - [ -0.0001054400000000, 0.0019041200000000, 0.0020955200000000 ] - [ -0.0144179700000000, -0.0029633600000000, -0.0058777600000000 ] - [ -0.0033714500000000, -0.0018812500000000, 0.0000549100000000 ] - [ -0.0021121800000000, 0.0105474900000000, 0.0133945300000000 ] - [ -0.0022267800000000, -0.0010422500000000, 0.0017161500000000 ] - [ -0.0010424500000000, -0.0004436600000000, 0.0019624400000000 ] - [ 0.0021070400000000, -0.0016166200000000, 0.0017187100000000 ] - [ 0.0004898600000000, -0.0004263000000000, 0.0028776700000000 ] - [ 0.0004452200000000, -0.0002561300000000, 0.0025237700000000 ] - [ 0.0157358600000000, -0.0064814800000000, -0.0042407000000000 ] - [ -0.0074346700000000, -0.0080085700000000, -0.0033541800000000 ] - [ -0.0001380100000000, 0.0016727200000000, 0.0018970100000000 ] - [ 0.0001335000000000, 0.0024690800000000, 0.0013399300000000 ] - [ 0.0001641000000000, 0.0009289700000000, 0.0026495800000000 ] - [ -0.0021023600000000, -0.0007894700000000, 0.0022970600000000 ] - [ -0.0020553500000000, -0.0009896700000000, 0.0013782100000000 ] - [ -0.0023496600000000, -0.0010039200000000, 0.0015842500000000 ] - [ -0.0011776100000000, -0.0006627800000000, 0.0022863700000000 ] - [ 0.0014094100000000, -0.0009889900000000, 0.0017416500000000 ] - [ 0.0016536200000000, -0.0010298500000000, 0.0019258100000000 ] - [ 0.0009035200000000, -0.0008303800000000, 0.0016396700000000 ] - [ 0.0009275000000000, 0.0004594100000000, 0.0023139800000000 ] - [ 0.0000976700000000, 0.0028681900000000, 0.0016680000000000 ] - [ 0.0001446600000000, 0.0011983100000000, 0.0022898500000000 ] - [ 0.0008772700000000, 0.0026298600000000, 0.0009818200000000 ] - [ -0.0000762800000000, 0.0011675000000000, 0.0022683000000000 ] - [ -0.0026962400000000, 0.0002447500000000, 0.0032230000000000 ] - [ 0.0004228000000000, 0.0010439400000000, -0.0021728700000000 ] - [ 0.0003921800000000, 0.0007493800000000, -0.0022345100000000 ] - [ -0.0004712700000000, 0.0016389200000000, -0.0011198000000000 ] - [ 0.0009835400000000, -0.0006888800000000, -0.0018844100000000 ] - [ 0.0012257300000000, 0.0002180400000000, -0.0012337800000000 ] - [ 0.0027542400000000, -0.0050052000000000, -0.0068799600000000 ] - [ 0.0021623600000000, 0.0007067400000000, -0.0003589500000000 ] - [ -0.0001531200000000, -0.0007802900000000, -0.0009712700000000 ] - [ -0.0014730200000000, -0.0022894900000000, -0.0015306800000000 ] - [ -0.0002499300000000, -0.0007183600000000, -0.0009292600000000 ] - [ -0.0018070400000000, -0.0024169600000000, -0.0009743700000000 ] - [ -0.0004284600000000, 0.0012171500000000, -0.0008578300000000 ] - [ -0.0000059500000000, 0.0002712600000000, -0.0010455800000000 ] - [ -0.0006884500000000, 0.0013007900000000, -0.0009125600000000 ] - [ -0.0009032100000000, 0.0014234000000000, -0.0010903000000000 ] - [ 0.0013905500000000, 0.0004429900000000, -0.0009828600000000 ] - [ 0.0021849400000000, -0.0003713100000000, -0.0009419200000000 ] - [ 0.0024053100000000, -0.0001319700000000, -0.0011634300000000 ] - [ 0.0006324900000000, 0.0003238900000000, -0.0006153300000000 ] - [ -0.0008697800000000, -0.0002386100000000, -0.0020352200000000 ] - [ -0.0006459400000000, -0.0011723500000000, -0.0012232000000000 ] - [ 0.0000886400000000, -0.0007625900000000, -0.0016278100000000 ] - [ 0.0023588100000000, -0.0001670800000000, -0.0010194500000000 ] - [ -0.0004760300000000, 0.0017177900000000, -0.0013485100000000 ] - [ 0.0003133900000000, 0.0002021400000000, -0.0020934900000000 ] - [ 0.0005377900000000, 0.0011476400000000, -0.0021100600000000 ] - [ -0.0095826500000000, -0.0008336900000000, 0.0037461100000000 ] - [ 0.0025011600000000, 0.0006855600000000, -0.0002561000000000 ] - [ 0.0016653600000000, -0.0053537300000000, -0.0067673600000000 ] - [ 0.0012494300000000, 0.0000785600000000, -0.0012451100000000 ] - [ 0.0008833100000000, -0.0005087100000000, -0.0016861500000000 ] - [ -0.0006376600000000, -0.0003444300000000, -0.0010331200000000 ] - [ -0.0007759400000000, -0.0019462200000000, -0.0010067900000000 ] - [ 0.0000822300000000, -0.0015573100000000, -0.0009806900000000 ] - [ 0.0030618700000000, -0.0006825100000000, 0.0005077400000000 ] - [ -0.0022784800000000, 0.0046347400000000, 0.0002690000000000 ] - [ 0.0000047700000000, 0.0006740900000000, -0.0011352800000000 ] - [ -0.0002396000000000, -0.0004009400000000, -0.0009537400000000 ] - [ -0.0003717300000000, 0.0023334900000000, -0.0008740700000000 ] - [ 0.0010974200000000, -0.0000430500000000, -0.0011306500000000 ] - [ 0.0019563500000000, 0.0000000400000000, -0.0008440200000000 ] - [ 0.0005038900000000, -0.0027025500000000, -0.0037975800000000 ] - [ 0.0042212300000000, -0.0000659600000000, -0.0009961300000000 ] - [ -0.0020871800000000, 0.0043079000000000, -0.0014385800000000 ] - [ -0.0000138900000000, -0.0007363700000000, -0.0013971900000000 ] - [ -0.0003257000000000, -0.0012891100000000, -0.0010752200000000 ] - [ -0.0011562800000000, -0.0001775100000000, -0.0020832700000000 ] - [ -0.0003696800000000, 0.0010834000000000, -0.0015153500000000 ] - [ -0.0004539700000000, 0.0009624900000000, -0.0015933300000000 ] - [ 0.0004994500000000, 0.0011666100000000, -0.0014846500000000 ] - [ 0.0000453700000000, 0.0010518900000000, -0.0024849100000000 ] - [ 0.0005273800000000, 0.0002843300000000, -0.0011474700000000 ] - [ 0.0015616700000000, -0.0001146200000000, -0.0013449300000000 ] - [ 0.0015609300000000, -0.0002705900000000, -0.0012600300000000 ] - [ 0.0005879000000000, 0.0000895400000000, -0.0016677300000000 ] - [ -0.0068781800000000, 0.0018940100000000, -0.0037778000000000 ] - [ 0.0000272800000000, -0.0012505800000000, -0.0007831000000000 ] - [ -0.0011075600000000, -0.0019240600000000, -0.0008993500000000 ] - [ -0.0003418900000000, -0.0005092600000000, -0.0011642600000000 ] - [ -0.0011066200000000, 0.0023890400000000, -0.0013226700000000 ] - [ -0.0001331300000000, 0.0000513800000000, -0.0009833200000000 ] - [ 0.0001669300000000, 0.0005454600000000, -0.0009888200000000 ] - [ -0.0115793100000000, 0.0048332900000000, 0.0018890000000000 ] - [ 0.0039627500000000, -0.0000491900000000, -0.0008521900000000 ] - [ -0.0072713700000000, -0.0005265600000000, -0.0008549200000000 ] - [ 0.0020805400000000, 0.0004157200000000, -0.0011098600000000 ] - [ 0.0009980100000000, -0.0004128300000000, -0.0008922600000000 ] - [ -0.0006424500000000, -0.0018097500000000, -0.0015322900000000 ] - [ -0.0006303600000000, -0.0003462800000000, -0.0017427400000000 ] - [ -0.0011665600000000, -0.0014286800000000, -0.0010507600000000 ] - [ -0.0003492900000000, -0.0004377000000000, -0.0019069200000000 ] - [ 0.0526710900000000, -0.0000152600000000, 0.0006060700000000 ] - [ -0.0024859500000000, 0.0001118900000000, 0.0008492100000000 ] - [ -0.0000114100000000, 0.0013168800000000, 0.0003265100000000 ] - [ -0.0002059700000000, -0.0014276200000000, 0.0010421400000000 ] - [ -0.0022359900000000, -0.0023504700000000, -0.0016104100000000 ] - [ -0.0023620900000000, 0.0018345500000000, 0.0026045200000000 ] - [ -0.0007989500000000, 0.0000417400000000, 0.0007339700000000 ] - [ 0.0013252900000000, -0.0001451500000000, 0.0012077700000000 ] - [ 0.0013252800000000, 0.0002907500000000, 0.0008564700000000 ] - [ -0.0007987500000000, -0.0000410600000000, 0.0007455000000000 ] - [ -0.0023618900000000, 0.0022765200000000, 0.0022011900000000 ] - [ -0.0022312700000000, -0.0019081200000000, -0.0008200700000000 ] - [ 0.0030351100000000, -0.0004196800000000, 0.0017700900000000 ] - [ -0.0011351600000000, 0.0000359000000000, 0.0017238800000000 ] - [ -0.0000539000000000, 0.0006308100000000, 0.0019000700000000 ] - [ -0.0000790800000000, -0.0006030500000000, 0.0016880600000000 ] - [ -0.0013892400000000, -0.0014066500000000, 0.0036897700000000 ] - [ -0.0012344400000000, 0.0015532500000000, 0.0015355400000000 ] - [ -0.0005369900000000, -0.0000002800000000, 0.0025140900000000 ] - [ 0.0012503100000000, -0.0000631800000000, 0.0023125100000000 ] - [ 0.0016761000000000, 0.0001924900000000, -0.0008813000000000 ] - [ -0.0005660800000000, -0.0000693500000000, -0.0006165300000000 ] - [ -0.0016631900000000, 0.0020639600000000, -0.0012069400000000 ] - [ -0.0016225000000000, -0.0017696500000000, 0.0002431700000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016220100000000, -0.0011857300000000, 0.0022273700000000 ] - [ -0.0016342000000000, -0.0009291500000000, 0.0018410900000000 ] - [ -0.0164123900000000, 0.0038106700000000, 0.0132116800000000 ] - [ -0.0014283800000000, -0.0004940900000000, 0.0024983700000000 ] - [ 0.0049060500000000, -0.0161188800000000, 0.0132116800000000 ] - [ 0.0016217600000000, -0.0009506900000000, 0.0018410900000000 ] - [ 0.0011420900000000, -0.0009899600000000, 0.0024983700000000 ] - [ 0.0018378800000000, -0.0008118300000000, 0.0022273700000000 ] - [ 0.0002862900000000, 0.0014840600000000, 0.0024983700000000 ] - [ 0.0000124400000000, 0.0018798300000000, 0.0018410900000000 ] - [ -0.0002158700000000, 0.0019975700000000, 0.0022273700000000 ] - [ 0.0115063300000000, 0.0123082100000000, 0.0132116800000000 ] - [ -0.0015552300000000, -0.0006721500000000, 0.0020595900000000 ] - [ -0.0182922700000000, 0.0011415800000000, -0.0045290300000000 ] - [ -0.0018339500000000, -0.0007901000000000, 0.0017284300000000 ] - [ -0.0015336300000000, -0.0007142500000000, 0.0015759800000000 ] - [ 0.0013853800000000, -0.0009710400000000, 0.0015759800000000 ] - [ 0.0013597200000000, -0.0010107900000000, 0.0020595900000000 ] - [ 0.0016012200000000, -0.0011932000000000, 0.0017284300000000 ] - [ 0.0081575000000000, -0.0164123600000000, -0.0045290300000000 ] - [ 0.0101347700000000, 0.0152707800000000, -0.0045290300000000 ] - [ 0.0001482600000000, 0.0016852900000000, 0.0015759800000000 ] - [ 0.0002327300000000, 0.0019832900000000, 0.0017284300000000 ] - [ 0.0001955100000000, 0.0016829400000000, 0.0020595900000000 ] - [ -0.0007751900000000, 0.0003626200000000, 0.0024677200000000 ] - [ -0.0014199600000000, -0.0007296800000000, 0.0019535000000000 ] - [ -0.0015974300000000, -0.0005983500000000, 0.0021379800000000 ] - [ -0.0012305400000000, -0.0006502500000000, 0.0022713300000000 ] - [ 0.0013169100000000, -0.0010842400000000, 0.0021379800000000 ] - [ 0.0013419000000000, -0.0008648800000000, 0.0019535000000000 ] - [ 0.0011784000000000, -0.0007405500000000, 0.0022713300000000 ] - [ 0.0000735600000000, -0.0008526500000000, 0.0024677200000000 ] - [ 0.0000521400000000, 0.0013908000000000, 0.0022713300000000 ] - [ 0.0000780600000000, 0.0015945600000000, 0.0019535000000000 ] - [ 0.0007016300000000, 0.0004900300000000, 0.0024677200000000 ] - [ 0.0002805300000000, 0.0016825900000000, 0.0021379800000000 ] - [ -0.0023351300000000, 0.0034702600000000, -0.0016331500000000 ] - [ -0.0004903100000000, 0.0010492200000000, -0.0015185800000000 ] - [ -0.0002072500000000, 0.0009852500000000, -0.0018583100000000 ] - [ -0.0005958900000000, 0.0005784700000000, -0.0018091300000000 ] - [ 0.0007989100000000, 0.0002268300000000, -0.0018091300000000 ] - [ 0.0011538100000000, -0.0000999900000000, -0.0015185800000000 ] - [ 0.0041729000000000, 0.0002871500000000, -0.0016331500000000 ] - [ 0.0009568800000000, -0.0003131400000000, -0.0018583100000000 ] - [ -0.0006952600000000, -0.0011692300000000, -0.0010962700000000 ] - [ -0.0009197200000000, -0.0011782400000000, -0.0019360000000000 ] - [ -0.0007975300000000, -0.0012336100000000, -0.0011244300000000 ] - [ -0.0009354100000000, -0.0006319200000000, -0.0014897100000000 ] - [ -0.0005605200000000, 0.0013856300000000, -0.0019360000000000 ] - [ -0.0000795500000000, 0.0011260400000000, -0.0014897100000000 ] - [ -0.0006695700000000, 0.0013074900000000, -0.0011244300000000 ] - [ -0.0006649500000000, 0.0011867300000000, -0.0010962700000000 ] - [ 0.0010149600000000, -0.0004941300000000, -0.0014897100000000 ] - [ 0.0013602200000000, -0.0000175000000000, -0.0010962700000000 ] - [ 0.0014671000000000, -0.0000738800000000, -0.0011244300000000 ] - [ 0.0014802500000000, -0.0002073800000000, -0.0019360000000000 ] - [ -0.0007496300000000, -0.0006721100000000, -0.0018583100000000 ] - [ -0.0006635000000000, -0.0009492300000000, -0.0015185800000000 ] - [ -0.0002030200000000, -0.0008052900000000, -0.0018091300000000 ] - [ -0.0018377700000000, -0.0037574100000000, -0.0016331500000000 ] - [ -0.0003456000000000, 0.0008243500000000, -0.0011361000000000 ] - [ -0.0001561300000000, 0.0006506600000000, -0.0012797100000000 ] - [ -0.0003461500000000, 0.0011057300000000, -0.0012737200000000 ] - [ -0.0038993500000000, 0.0036168600000000, 0.0072483100000000 ] - [ 0.0006415500000000, -0.0001901200000000, -0.0012797100000000 ] - [ 0.0050819700000000, 0.0015685100000000, 0.0072483100000000 ] - [ 0.0011306700000000, -0.0002530900000000, -0.0012737200000000 ] - [ 0.0008867100000000, -0.0001128700000000, -0.0011361000000000 ] - [ -0.0002194900000000, -0.0007205700000000, -0.0007598200000000 ] - [ -0.0008382600000000, -0.0013416300000000, -0.0009526600000000 ] - [ -0.0002307400000000, -0.0015283400000000, -0.0009588100000000 ] - [ -0.0053636300000000, -0.0054633600000000, -0.0038461300000000 ] - [ -0.0020495900000000, 0.0073767300000000, -0.0038461300000000 ] - [ -0.0007427600000000, 0.0013967700000000, -0.0009526600000000 ] - [ -0.0005142900000000, 0.0005503600000000, -0.0007598200000000 ] - [ -0.0012082100000000, 0.0009640000000000, -0.0009588100000000 ] - [ 0.0014389500000000, 0.0005643400000000, -0.0009588100000000 ] - [ 0.0015810200000000, -0.0000551300000000, -0.0009526600000000 ] - [ 0.0074132300000000, -0.0019133600000000, -0.0038461300000000 ] - [ 0.0007337700000000, 0.0001702000000000, -0.0007598200000000 ] - [ -0.0011826100000000, -0.0051853700000000, 0.0072483100000000 ] - [ -0.0005411000000000, -0.0007114800000000, -0.0011361000000000 ] - [ -0.0007845200000000, -0.0008526400000000, -0.0012737200000000 ] - [ -0.0004854200000000, -0.0004605400000000, -0.0012797100000000 ] - [ -0.0002369900000000, 0.0010973000000000, -0.0018451500000000 ] - [ -0.0002941500000000, 0.0010770100000000, -0.0017232700000000 ] - [ -0.0001416800000000, 0.0014157000000000, -0.0025589300000000 ] - [ 0.0006835900000000, 0.0017371700000000, -0.0030141400000000 ] - [ 0.0011626400000000, -0.0014605900000000, -0.0030141400000000 ] - [ 0.0010798000000000, -0.0002837600000000, -0.0017232700000000 ] - [ 0.0010687900000000, -0.0003434100000000, -0.0018451500000000 ] - [ 0.0012968700000000, -0.0005851500000000, -0.0025589300000000 ] - [ -0.0010416700000000, -0.0078661000000000, 0.0084525900000000 ] - [ -0.0005297200000000, -0.0011869400000000, -0.0007520900000000 ] - [ -0.0008791000000000, -0.0015478500000000, -0.0009815600000000 ] - [ -0.0005440100000000, -0.0011708300000000, -0.0009335500000000 ] - [ -0.0007630600000000, 0.0010522200000000, -0.0007520900000000 ] - [ -0.0007419700000000, 0.0010565400000000, -0.0009335500000000 ] - [ -0.0009009300000000, 0.0015352500000000, -0.0009815600000000 ] - [ -0.0062914100000000, 0.0048351700000000, 0.0084525900000000 ] - [ 0.0012859800000000, 0.0001142900000000, -0.0009335500000000 ] - [ 0.0073330800000000, 0.0030309400000000, 0.0084525900000000 ] - [ 0.0017800300000000, 0.0000126100000000, -0.0009815600000000 ] - [ 0.0012927800000000, 0.0001347200000000, -0.0007520900000000 ] - [ -0.0011551900000000, -0.0008305500000000, -0.0025589300000000 ] - [ -0.0007856400000000, -0.0007932500000000, -0.0017232700000000 ] - [ -0.0018462300000000, -0.0002765800000000, -0.0030141400000000 ] - [ -0.0008317900000000, -0.0007538900000000, -0.0018451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0672012000000000 ] - [ -0.0001098000000000, -0.0004130600000000, 0.0000915100000000 ] - [ 0.0004126200000000, 0.0001114400000000, 0.0000915100000000 ] - [ -0.0003028200000000, 0.0003016200000000, 0.0000915100000000 ] - [ 0.0015641200000000, 0.0007791400000000, 0.0025969200000000 ] - [ -0.0014568100000000, 0.0009649900000000, 0.0025969200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009209600000000 ] - [ -0.0001073000000000, -0.0017441300000000, 0.0025969200000000 ] - [ -0.0004766000000000, -0.0024304600000000, 0.0026121000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009334000000000 ] - [ -0.0018665400000000, 0.0016279800000000, 0.0026121000000000 ] - [ 0.0023431400000000, 0.0008024800000000, 0.0026121000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0077390900000000 ] - [ -0.0000417500000000, -0.0001419100000000, 0.0019904000000000 ] - [ 0.0001437800000000, 0.0000348000000000, 0.0019904000000000 ] - [ -0.0001020200000000, 0.0001071200000000, 0.0019904000000000 ] - [ -0.0007416500000000, -0.0007392300000000, 0.0019557600000000 ] - [ 0.0010110200000000, -0.0002726800000000, 0.0019557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024478100000000 ] - [ -0.0002693600000000, 0.0010119000000000, 0.0019557600000000 ] - [ -0.0001448600000000, 0.0013347700000000, -0.0012971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006797200000000 ] - [ 0.0012283700000000, -0.0005419400000000, -0.0012971800000000 ] - [ -0.0010835200000000, -0.0007928400000000, -0.0012971800000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016129900000000, -0.0004126100000000, 0.0015546500000000 ] - [ -0.0016009100000000, -0.0006698900000000, 0.0019392300000000 ] - [ 0.0135331100000000, -0.0055245300000000, -0.0096058000000000 ] - [ -0.0018061100000000, -0.0011055500000000, 0.0012809600000000 ] - [ -0.0019821700000000, 0.0144822800000000, -0.0096058000000000 ] - [ 0.0013805900000000, -0.0010514800000000, 0.0019392300000000 ] - [ 0.0018604800000000, -0.0010113600000000, 0.0012809600000000 ] - [ 0.0011638300000000, -0.0011905800000000, 0.0015546500000000 ] - [ -0.0000543800000000, 0.0021169100000000, 0.0012809600000000 ] - [ 0.0002203100000000, 0.0017213700000000, 0.0019392300000000 ] - [ 0.0004491600000000, 0.0016032000000000, 0.0015546500000000 ] - [ -0.0115509400000000, -0.0089577500000000, -0.0096058000000000 ] - [ -0.0016947400000000, -0.0009403100000000, 0.0016593500000000 ] - [ 0.0149003900000000, -0.0027229200000000, 0.0082009900000000 ] - [ -0.0014168600000000, -0.0008224500000000, 0.0019919000000000 ] - [ -0.0017173700000000, -0.0008981800000000, 0.0021440000000000 ] - [ 0.0016365300000000, -0.0010382000000000, 0.0021440000000000 ] - [ 0.0016617000000000, -0.0009975400000000, 0.0016593500000000 ] - [ 0.0014206900000000, -0.0008158100000000, 0.0019919000000000 ] - [ -0.0050920800000000, 0.0142655800000000, 0.0082009900000000 ] - [ -0.0098083200000000, -0.0115426600000000, 0.0082009900000000 ] - [ 0.0000808400000000, 0.0019363800000000, 0.0021440000000000 ] - [ -0.0000038300000000, 0.0016382600000000, 0.0019919000000000 ] - [ 0.0000330400000000, 0.0019378400000000, 0.0016593500000000 ] - [ -0.0024787200000000, -0.0019451400000000, 0.0012653500000000 ] - [ -0.0018372600000000, -0.0008574200000000, 0.0017751400000000 ] - [ -0.0016588000000000, -0.0009883200000000, 0.0015908100000000 ] - [ -0.0020323800000000, -0.0009389400000000, 0.0014529600000000 ] - [ 0.0016853200000000, -0.0009424000000000, 0.0015908100000000 ] - [ 0.0016611800000000, -0.0011624000000000, 0.0017751400000000 ] - [ 0.0018293300000000, -0.0012906200000000, 0.0014529600000000 ] - [ 0.0029239000000000, -0.0011740600000000, 0.0012653500000000 ] - [ 0.0002030400000000, 0.0022295600000000, 0.0014529600000000 ] - [ 0.0001760800000000, 0.0020198300000000, 0.0017751400000000 ] - [ -0.0004451800000000, 0.0031192000000000, 0.0012653500000000 ] - [ -0.0000265100000000, 0.0019307300000000, 0.0015908100000000 ] - [ 0.0016737300000000, -0.0013301800000000, -0.0015396500000000 ] - [ -0.0002238700000000, 0.0010455700000000, -0.0015680800000000 ] - [ -0.0005072500000000, 0.0011088900000000, -0.0012282900000000 ] - [ -0.0001171100000000, 0.0015161800000000, -0.0012789200000000 ] - [ 0.0013716100000000, -0.0006566700000000, -0.0012789200000000 ] - [ 0.0010174300000000, -0.0003289100000000, -0.0015680800000000 ] - [ -0.0019888300000000, -0.0007844100000000, -0.0015396500000000 ] - [ 0.0012139500000000, -0.0001151500000000, -0.0012282900000000 ] - [ -0.0008711900000000, -0.0014854100000000, -0.0009060900000000 ] - [ -0.0006455700000000, -0.0014825200000000, -0.0000646300000000 ] - [ -0.0007683900000000, -0.0014212100000000, -0.0008785500000000 ] - [ -0.0006303900000000, -0.0020207800000000, -0.0005126000000000 ] - [ -0.0009611100000000, 0.0013003400000000, -0.0000646300000000 ] - [ -0.0014348500000000, 0.0015563300000000, -0.0005126000000000 ] - [ -0.0008466100000000, 0.0013760500000000, -0.0008785500000000 ] - [ -0.0008508100000000, 0.0014971800000000, -0.0009060900000000 ] - [ 0.0020652400000000, 0.0004644500000000, -0.0005126000000000 ] - [ 0.0017220000000000, -0.0000117700000000, -0.0009060900000000 ] - [ 0.0016150000000000, 0.0000451600000000, -0.0008785500000000 ] - [ 0.0016066800000000, 0.0001821800000000, -0.0000646300000000 ] - [ -0.0007067000000000, -0.0009937400000000, -0.0012282900000000 ] - [ -0.0007935600000000, -0.0007166600000000, -0.0015680800000000 ] - [ -0.0012545000000000, -0.0008595100000000, -0.0012789200000000 ] - [ 0.0003151000000000, 0.0021145800000000, -0.0015396500000000 ] - [ -0.0003940200000000, 0.0012540200000000, -0.0018182300000000 ] - [ -0.0005842200000000, 0.0014277500000000, -0.0016737300000000 ] - [ -0.0003934600000000, 0.0009719700000000, -0.0016801800000000 ] - [ 0.0031522400000000, -0.0015634700000000, -0.0101576800000000 ] - [ 0.0015285800000000, -0.0002079300000000, -0.0016737300000000 ] - [ -0.0029301200000000, -0.0019481800000000, -0.0101576800000000 ] - [ 0.0010384800000000, -0.0001452400000000, -0.0016801800000000 ] - [ 0.0012830200000000, -0.0002857800000000, -0.0018182300000000 ] - [ -0.0013388300000000, -0.0019275300000000, -0.0012299200000000 ] - [ -0.0007219400000000, -0.0013070600000000, -0.0010382900000000 ] - [ -0.0013288800000000, -0.0011199600000000, -0.0010321500000000 ] - [ 0.0037915300000000, 0.0028225500000000, 0.0018515400000000 ] - [ 0.0005486400000000, -0.0046948400000000, 0.0018515400000000 ] - [ -0.0007709800000000, 0.0012787400000000, -0.0010382900000000 ] - [ -0.0009998700000000, 0.0021232300000000, -0.0012299200000000 ] - [ -0.0003054800000000, 0.0017108200000000, -0.0010321500000000 ] - [ 0.0016343600000000, -0.0005908600000000, -0.0010321500000000 ] - [ 0.0014929200000000, 0.0000283200000000, -0.0010382900000000 ] - [ -0.0043401700000000, 0.0018722800000000, 0.0018515400000000 ] - [ 0.0023387000000000, -0.0001957000000000, -0.0012299200000000 ] - [ -0.0002221200000000, 0.0035116500000000, -0.0101576800000000 ] - [ -0.0008890100000000, -0.0009682400000000, -0.0018182300000000 ] - [ -0.0006450300000000, -0.0008267300000000, -0.0016801800000000 ] - [ -0.0009443600000000, -0.0012198300000000, -0.0016737300000000 ] - [ -0.0005099400000000, 0.0009636200000000, -0.0012751100000000 ] - [ -0.0004530800000000, 0.0009841000000000, -0.0013963700000000 ] - [ -0.0006082300000000, 0.0006459500000000, -0.0005572200000000 ] - [ -0.0014236100000000, 0.0003245000000000, -0.0001098700000000 ] - [ 0.0009928300000000, 0.0010706300000000, -0.0001098700000000 ] - [ 0.0010788000000000, -0.0000996700000000, -0.0013963700000000 ] - [ 0.0010894900000000, -0.0000401900000000, -0.0012751100000000 ] - [ 0.0008635200000000, 0.0002037700000000, -0.0005572200000000 ] - [ -0.0001613700000000, 0.0051292200000000, -0.0101316500000000 ] - [ -0.0010335100000000, -0.0015204600000000, -0.0012470100000000 ] - [ -0.0006835600000000, -0.0011595900000000, -0.0010169000000000 ] - [ -0.0010190100000000, -0.0015360400000000, -0.0010656600000000 ] - [ -0.0008000000000000, 0.0016552800000000, -0.0012470100000000 ] - [ -0.0008207500000000, 0.0016505100000000, -0.0010656600000000 ] - [ -0.0006624500000000, 0.0011717700000000, -0.0010169000000000 ] - [ 0.0045227200000000, -0.0024248600000000, -0.0101316500000000 ] - [ 0.0018397600000000, -0.0001144700000000, -0.0010656600000000 ] - [ -0.0043613500000000, -0.0027043600000000, -0.0101316500000000 ] - [ 0.0013460100000000, -0.0000121900000000, -0.0010169000000000 ] - [ 0.0018335200000000, -0.0001348200000000, -0.0012470100000000 ] - [ -0.0002552900000000, -0.0008497200000000, -0.0005572200000000 ] - [ -0.0006257100000000, -0.0008844300000000, -0.0013963700000000 ] - [ 0.0004307800000000, -0.0013951300000000, -0.0001098700000000 ] - [ -0.0005795500000000, -0.0009234300000000, -0.0012751100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0685006200000000 ] - [ 0.0001101000000000, 0.0004132300000000, 0.0013887100000000 ] - [ -0.0004129100000000, -0.0001112700000000, 0.0013887100000000 ] - [ 0.0003028200000000, -0.0003019600000000, 0.0013887100000000 ] - [ -0.0015647600000000, -0.0007797900000000, -0.0011358700000000 ] - [ 0.0014577000000000, -0.0009652200000000, -0.0011358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005459700000000 ] - [ 0.0001070600000000, 0.0017450200000000, -0.0011358700000000 ] - [ 0.0004778900000000, 0.0024352900000000, -0.0011207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005582100000000 ] - [ 0.0018700800000000, -0.0016315100000000, -0.0011207300000000 ] - [ -0.0023479600000000, -0.0008037800000000, -0.0011207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041813600000000 ] - [ 0.0000418200000000, 0.0001421900000000, 0.0015506000000000 ] - [ -0.0001440600000000, -0.0000348800000000, 0.0015506000000000 ] - [ 0.0001022300000000, -0.0001073200000000, 0.0015506000000000 ] - [ 0.0007422700000000, 0.0007402600000000, 0.0030766800000000 ] - [ -0.0010122200000000, 0.0002726900000000, 0.0030766800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025809600000000 ] - [ 0.0002699500000000, -0.0010129500000000, 0.0030766800000000 ] - [ 0.0001451600000000, -0.0013367300000000, 0.0000625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005533300000000 ] - [ -0.0012302200000000, 0.0005426500000000, 0.0000625800000000 ] - [ 0.0010850600000000, 0.0007940800000000, 0.0000625800000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0020124200000000, -0.0009066000000000, 0.0016264700000000 ] - [ -0.0013595300000000, -0.0006925000000000, 0.0021111800000000 ] - [ -0.0007018500000000, -0.0003216200000000, 0.0036840700000000 ] - [ -0.0009346200000000, -0.0004176800000000, 0.0023023400000000 ] - [ -0.0000886900000000, -0.0002692400000000, 0.0031462700000000 ] - [ 0.0019618100000000, -0.0013538200000000, 0.0015085800000000 ] - [ 0.0018348300000000, -0.0011455300000000, 0.0016257500000000 ] - [ 0.0014779600000000, -0.0009557500000000, 0.0020650100000000 ] - [ 0.0001678600000000, 0.0022196700000000, 0.0017140800000000 ] - [ 0.0000765200000000, 0.0015022100000000, 0.0020205600000000 ] - [ 0.0000373800000000, 0.0014471400000000, 0.0019496900000000 ] - [ -0.0000158100000000, 0.0046136900000000, -0.0012154900000000 ] - [ -0.0008562500000000, -0.0007287300000000, 0.0023630800000000 ] - [ -0.0007580400000000, -0.0007655900000000, 0.0024454100000000 ] - [ -0.0013091500000000, -0.0006872300000000, 0.0019269300000000 ] - [ -0.0019829800000000, -0.0009555200000000, 0.0017601200000000 ] - [ 0.0013329600000000, -0.0007652400000000, 0.0018989000000000 ] - [ 0.0017105300000000, -0.0013719500000000, 0.0016538200000000 ] - [ 0.0020395800000000, -0.0014193700000000, 0.0015369400000000 ] - [ -0.0002905500000000, 0.0004905000000000, 0.0026046800000000 ] - [ 0.0009011200000000, 0.0048756400000000, 0.0004974300000000 ] - [ 0.0001819600000000, 0.0016999400000000, 0.0018900300000000 ] - [ 0.0000741700000000, 0.0014791400000000, 0.0020859800000000 ] - [ 0.0002112200000000, 0.0021596200000000, 0.0015310600000000 ] - [ -0.0005617700000000, 0.0006389700000000, 0.0025594100000000 ] - [ -0.0012492000000000, -0.0006903100000000, 0.0023599900000000 ] - [ -0.0011635100000000, -0.0005842900000000, 0.0020310300000000 ] - [ -0.0001332600000000, 0.0000317600000000, 0.0024646500000000 ] - [ 0.0015464100000000, -0.0010061600000000, 0.0020070200000000 ] - [ 0.0012954500000000, -0.0009929700000000, 0.0018720500000000 ] - [ 0.0064449500000000, -0.0048104400000000, -0.0002227400000000 ] - [ 0.0062053700000000, -0.0022966600000000, -0.0016936300000000 ] - [ -0.0006818600000000, -0.0026600500000000, 0.0033342000000000 ] - [ 0.0001415000000000, 0.0023751000000000, 0.0013308200000000 ] - [ 0.0006767600000000, -0.0012883200000000, 0.0046969200000000 ] - [ 0.0002071600000000, 0.0022779100000000, 0.0015258000000000 ] - [ 0.0009210900000000, 0.0015766100000000, -0.0020829800000000 ] - [ -0.0007782000000000, 0.0010285100000000, -0.0011937200000000 ] - [ -0.0006053600000000, 0.0012212700000000, -0.0014442200000000 ] - [ -0.0003461100000000, 0.0007830000000000, -0.0015659900000000 ] - [ 0.0011796400000000, 0.0000884200000000, -0.0012425000000000 ] - [ 0.0010248800000000, -0.0004592200000000, -0.0017578800000000 ] - [ 0.0019274700000000, -0.0011619400000000, -0.0016758300000000 ] - [ 0.0006171000000000, -0.0005534900000000, -0.0018305100000000 ] - [ -0.0014540100000000, -0.0019110200000000, -0.0010647400000000 ] - [ 0.0024485300000000, -0.0007470800000000, -0.0011851200000000 ] - [ -0.0011713500000000, -0.0017952200000000, -0.0010641600000000 ] - [ 0.0003795200000000, 0.0006836600000000, -0.0017382100000000 ] - [ 0.0012801300000000, 0.0048085300000000, -0.0002051000000000 ] - [ -0.0026490000000000, 0.0034258300000000, -0.0001374200000000 ] - [ -0.0007806700000000, 0.0013667000000000, -0.0011044500000000 ] - [ -0.0005563200000000, 0.0011925900000000, -0.0009408600000000 ] - [ 0.0011130200000000, -0.0006171600000000, -0.0011563700000000 ] - [ 0.0009288600000000, 0.0003742700000000, -0.0010280500000000 ] - [ 0.0009067700000000, 0.0000808400000000, -0.0008651300000000 ] - [ 0.0016051500000000, 0.0008081300000000, -0.0016115400000000 ] - [ -0.0006424400000000, -0.0011059000000000, -0.0013867400000000 ] - [ -0.0007735900000000, -0.0006530400000000, -0.0017086900000000 ] - [ -0.0011665400000000, -0.0007409100000000, -0.0018532900000000 ] - [ 0.0015899500000000, -0.0014347000000000, -0.0008266700000000 ] - [ -0.0003609700000000, 0.0007457900000000, -0.0015036600000000 ] - [ -0.0004494600000000, 0.0013522200000000, -0.0013939500000000 ] - [ -0.0008193200000000, 0.0010138100000000, -0.0011596300000000 ] - [ 0.0011319400000000, 0.0009136400000000, -0.0025414700000000 ] - [ 0.0006338700000000, -0.0003660400000000, -0.0017920100000000 ] - [ 0.0012427400000000, -0.0003768000000000, -0.0014819300000000 ] - [ 0.0009998800000000, -0.0003554400000000, -0.0016226800000000 ] - [ 0.0011872600000000, 0.0000009400000000, -0.0012817800000000 ] - [ -0.0008398900000000, -0.0017615700000000, -0.0010960800000000 ] - [ -0.0007608400000000, -0.0010080600000000, -0.0009895000000000 ] - [ -0.0009298800000000, -0.0010667400000000, -0.0011018800000000 ] - [ -0.0013237300000000, -0.0032677200000000, -0.0001119500000000 ] - [ 0.0005168500000000, 0.0001717900000000, -0.0014792200000000 ] - [ -0.0011565800000000, 0.0016958800000000, -0.0009348200000000 ] - [ -0.0008579000000000, 0.0018104800000000, -0.0010920800000000 ] - [ -0.0008893100000000, 0.0010382300000000, -0.0009988900000000 ] - [ 0.0018758200000000, -0.0000184100000000, -0.0009151400000000 ] - [ 0.0013090600000000, -0.0000393800000000, -0.0010914900000000 ] - [ 0.0012529800000000, 0.0000162700000000, -0.0014234900000000 ] - [ 0.0006642100000000, -0.0000310000000000, -0.0008280300000000 ] - [ 0.0001612700000000, -0.0021479100000000, -0.0004371800000000 ] - [ -0.0010857600000000, -0.0008054100000000, -0.0016737700000000 ] - [ -0.0008685200000000, -0.0006147400000000, -0.0016779500000000 ] - [ -0.0005632900000000, -0.0010895200000000, -0.0012725600000000 ] - [ -0.0003287200000000, 0.0009688900000000, -0.0016512200000000 ] - [ -0.0002413800000000, 0.0011214100000000, -0.0015907800000000 ] - [ -0.0023616600000000, 0.0015786000000000, 0.0004882000000000 ] - [ -0.0014696800000000, 0.0006683400000000, 0.0010240600000000 ] - [ 0.0015671900000000, -0.0007103500000000, -0.0023413600000000 ] - [ 0.0006982300000000, -0.0002093700000000, -0.0018737000000000 ] - [ 0.0006971600000000, -0.0001529700000000, -0.0016850800000000 ] - [ 0.0011590500000000, -0.0004885600000000, -0.0020666800000000 ] - [ -0.0002495300000000, -0.0028765900000000, -0.0017616800000000 ] - [ -0.0011403700000000, -0.0012755600000000, -0.0011813000000000 ] - [ -0.0006057300000000, -0.0010469900000000, -0.0010546100000000 ] - [ -0.0009947100000000, -0.0017092700000000, -0.0009548700000000 ] - [ -0.0006898700000000, 0.0009443700000000, -0.0008640100000000 ] - [ -0.0009186300000000, 0.0018469200000000, -0.0010908200000000 ] - [ -0.0012425400000000, 0.0017945700000000, -0.0009964000000000 ] - [ 0.0005446000000000, 0.0003548500000000, -0.0004659700000000 ] - [ 0.0006508500000000, 0.0001356300000000, -0.0009816200000000 ] - [ 0.0020212600000000, -0.0005598100000000, -0.0008232800000000 ] - [ 0.0013034000000000, -0.0001774100000000, -0.0009762900000000 ] - [ 0.0018489900000000, 0.0002250800000000, -0.0009818200000000 ] - [ -0.0009264100000000, 0.0010857800000000, -0.0031462100000000 ] - [ -0.0007363800000000, -0.0012464700000000, -0.0012452400000000 ] - [ -0.0008228400000000, 0.0000310200000000, -0.0034110900000000 ] - [ -0.0009618000000000, -0.0012190500000000, -0.0013742500000000 ] - [ -0.0030269100000000, -0.0004193600000000, 0.0007275200000000 ] - [ 0.0011403800000000, 0.0000059400000000, 0.0006877100000000 ] - [ 0.0000611800000000, -0.0005871700000000, 0.0008732000000000 ] - [ 0.0000865200000000, 0.0006445600000000, 0.0006277000000000 ] - [ 0.0016276700000000, 0.0020981200000000, -0.0003613000000000 ] - [ 0.0016675500000000, -0.0017225900000000, 0.0019441000000000 ] - [ 0.0005717600000000, -0.0000709700000000, 0.0007234700000000 ] - [ -0.0016630300000000, 0.0001423400000000, 0.0005804900000000 ] - [ -0.0012395100000000, 0.0001091300000000, 0.0004675700000000 ] - [ 0.0005434900000000, 0.0000016800000000, 0.0007361700000000 ] - [ 0.0012389000000000, -0.0015018800000000, 0.0017508300000000 ] - [ 0.0013993200000000, 0.0014522000000000, -0.0000012400000000 ] - [ -0.0211337000000000, -0.0000332300000000, 0.0030303200000000 ] - [ 0.0010321400000000, 0.0000429300000000, 0.0018215700000000 ] - [ 0.0001637300000000, -0.0005437700000000, 0.0016895500000000 ] - [ 0.0000901400000000, 0.0005018000000000, 0.0017710800000000 ] - [ 0.0004783900000000, 0.0005685500000000, 0.0029445500000000 ] - [ 0.0003684500000000, -0.0005629400000000, 0.0019921400000000 ] - [ 0.0002817700000000, -0.0000196200000000, 0.0025044100000000 ] - [ -0.0005569100000000, 0.0001004500000000, 0.0025789100000000 ] - [ -0.0005580700000000, 0.0000300200000000, -0.0005225900000000 ] - [ 0.0002825100000000, 0.0000203100000000, -0.0006265900000000 ] - [ 0.0003681700000000, -0.0006339700000000, -0.0011000400000000 ] - [ 0.0004807000000000, 0.0004997500000000, -0.0002606300000000 ]- atom: 121 displacement: [ -0.0100000000000000, -0.0000000000129646, 0.0000000000000000 ] forces: - [ -0.0012226900000000, -0.0006943900000000, 0.0021340000000000 ] - [ -0.0018754500000000, -0.0009073600000000, 0.0016488500000000 ] - [ -0.0025568600000000, -0.0013020000000000, 0.0000615200000000 ] - [ -0.0023003300000000, -0.0011824400000000, 0.0014589600000000 ] - [ 0.0031213600000000, -0.0017440200000000, 0.0005860400000000 ] - [ 0.0010403100000000, -0.0006487700000000, 0.0022529100000000 ] - [ 0.0011664400000000, -0.0008561300000000, 0.0021353000000000 ] - [ 0.0015268400000000, -0.0010481100000000, 0.0016943700000000 ] - [ 0.0000637700000000, 0.0013780600000000, 0.0020478900000000 ] - [ 0.0001546600000000, 0.0020985900000000, 0.0017386800000000 ] - [ 0.0001930700000000, 0.0021487500000000, 0.0018128400000000 ] - [ 0.0002338500000000, -0.0010005000000000, 0.0049676500000000 ] - [ -0.0023946900000000, -0.0008863300000000, 0.0013364000000000 ] - [ -0.0024759500000000, -0.0008457900000000, 0.0012532700000000 ] - [ -0.0019422400000000, -0.0009261300000000, 0.0017722400000000 ] - [ -0.0012697400000000, -0.0006580400000000, 0.0019392200000000 ] - [ 0.0016874000000000, -0.0012420800000000, 0.0018015700000000 ] - [ 0.0013121000000000, -0.0006361500000000, 0.0020442900000000 ] - [ 0.0009836400000000, -0.0005916400000000, 0.0021626300000000 ] - [ 0.0033027500000000, -0.0024897000000000, 0.0011027600000000 ] - [ -0.0006725000000000, -0.0012542800000000, 0.0031916800000000 ] - [ 0.0000453400000000, 0.0019209800000000, 0.0018083200000000 ] - [ 0.0001536000000000, 0.0021397100000000, 0.0016151500000000 ] - [ 0.0000168800000000, 0.0014615700000000, 0.0021675300000000 ] - [ -0.0027061000000000, -0.0022261500000000, 0.0011357100000000 ] - [ -0.0020074100000000, -0.0008961100000000, 0.0013492300000000 ] - [ -0.0020949600000000, -0.0010030800000000, 0.0016768700000000 ] - [ -0.0030865000000000, -0.0016180900000000, 0.0012516500000000 ] - [ 0.0014569600000000, -0.0010223700000000, 0.0017014300000000 ] - [ 0.0017051500000000, -0.0010335400000000, 0.0018390200000000 ] - [ -0.0033924800000000, 0.0027796800000000, 0.0039395400000000 ] - [ -0.0032513500000000, 0.0002675000000000, 0.0054145100000000 ] - [ 0.0009253100000000, 0.0062714500000000, 0.0003848100000000 ] - [ 0.0001106900000000, 0.0012405300000000, 0.0023749100000000 ] - [ -0.0004215800000000, 0.0048935600000000, -0.0009874700000000 ] - [ 0.0000455900000000, 0.0013314100000000, 0.0021858300000000 ] - [ -0.0016472500000000, 0.0005205400000000, -0.0009984600000000 ] - [ 0.0000638700000000, 0.0010658300000000, -0.0019141200000000 ] - [ -0.0001086900000000, 0.0008739000000000, -0.0016636400000000 ] - [ -0.0003703400000000, 0.0013115600000000, -0.0015399100000000 ] - [ 0.0009908800000000, -0.0005165800000000, -0.0018644000000000 ] - [ 0.0011465400000000, 0.0000295000000000, -0.0013492300000000 ] - [ 0.0002539400000000, 0.0007301600000000, -0.0013878400000000 ] - [ 0.0015542300000000, 0.0001257200000000, -0.0012771900000000 ] - [ -0.0001133600000000, -0.0007459200000000, -0.0009579400000000 ] - [ -0.0040679100000000, -0.0018173900000000, -0.0008211100000000 ] - [ -0.0003925200000000, -0.0008552400000000, -0.0009588800000000 ] - [ -0.0019442000000000, -0.0033342500000000, -0.0002845800000000 ] - [ -0.0025729700000000, -0.0020743700000000, -0.0017758300000000 ] - [ 0.0011429300000000, -0.0007448100000000, -0.0018863000000000 ] - [ -0.0007350600000000, 0.0013181400000000, -0.0009189100000000 ] - [ -0.0009582900000000, 0.0014878500000000, -0.0010819700000000 ] - [ 0.0019797200000000, 0.0005848100000000, -0.0008612900000000 ] - [ 0.0021520900000000, -0.0004047200000000, -0.0009938400000000 ] - [ 0.0021753900000000, -0.0001085000000000, -0.0011561400000000 ] - [ 0.0014551500000000, -0.0008594700000000, -0.0004054200000000 ] - [ -0.0008143800000000, -0.0005588200000000, -0.0017202900000000 ] - [ -0.0006824600000000, -0.0010140900000000, -0.0013966600000000 ] - [ -0.0002911500000000, -0.0009218700000000, -0.0012571400000000 ] - [ -0.0030842000000000, -0.0002418000000000, -0.0021988700000000 ] - [ -0.0003785200000000, 0.0013313000000000, -0.0014705500000000 ] - [ -0.0002924800000000, 0.0007252900000000, -0.0015780300000000 ] - [ 0.0000787400000000, 0.0010651300000000, -0.0018137800000000 ] - [ -0.0018667700000000, 0.0011650200000000, -0.0004338800000000 ] - [ 0.0015352000000000, -0.0000313700000000, -0.0011808000000000 ] - [ 0.0009181300000000, -0.0000243500000000, -0.0014955300000000 ] - [ 0.0011694100000000, -0.0000426400000000, -0.0013504000000000 ] - [ 0.0009827400000000, -0.0003999000000000, -0.0016915100000000 ] - [ -0.0007174900000000, -0.0008837200000000, -0.0009143700000000 ] - [ -0.0007990600000000, -0.0016402300000000, -0.0010212600000000 ] - [ -0.0006275300000000, -0.0015782900000000, -0.0009087500000000 ] - [ -0.0002350600000000, 0.0006089200000000, -0.0019005600000000 ] - [ -0.0020452200000000, 0.0025167000000000, -0.0005290600000000 ] - [ -0.0003566100000000, 0.0009788500000000, -0.0010762700000000 ] - [ -0.0006536900000000, 0.0008636900000000, -0.0009190300000000 ] - [ -0.0006251200000000, 0.0016388800000000, -0.0010122100000000 ] - [ 0.0011962400000000, -0.0000069900000000, -0.0010951100000000 ] - [ 0.0017640200000000, 0.0000118600000000, -0.0009183900000000 ] - [ 0.0018431600000000, -0.0000346300000000, -0.0005851300000000 ] - [ 0.0024080300000000, 0.0000053300000000, -0.0011829700000000 ] - [ -0.0015877800000000, 0.0004696700000000, -0.0025309700000000 ] - [ -0.0003424200000000, -0.0008751700000000, -0.0012968900000000 ] - [ -0.0005610700000000, -0.0010636700000000, -0.0012959500000000 ] - [ -0.0008668100000000, -0.0005910600000000, -0.0016996200000000 ] - [ -0.0004191500000000, 0.0010932700000000, -0.0014885000000000 ] - [ -0.0005047100000000, 0.0009389500000000, -0.0015506900000000 ] - [ 0.0016121800000000, 0.0004808700000000, -0.0036358200000000 ] - [ 0.0006181300000000, 0.0013766900000000, -0.0041979700000000 ] - [ 0.0005965400000000, 0.0003440800000000, -0.0007938100000000 ] - [ 0.0014603000000000, -0.0001761700000000, -0.0012668400000000 ] - [ 0.0014612400000000, -0.0002304000000000, -0.0014545300000000 ] - [ 0.0009850900000000, 0.0000958200000000, -0.0010862200000000 ] - [ -0.0012870900000000, 0.0001723400000000, -0.0002939800000000 ] - [ -0.0004211000000000, -0.0014301600000000, -0.0008360100000000 ] - [ -0.0009558400000000, -0.0016582800000000, -0.0009637400000000 ] - [ -0.0005680400000000, -0.0009979300000000, -0.0010639200000000 ] - [ -0.0008713300000000, 0.0017599000000000, -0.0011549800000000 ] - [ -0.0006434300000000, 0.0008581300000000, -0.0009279300000000 ] - [ -0.0003209700000000, 0.0009146700000000, -0.0010223600000000 ] - [ -0.0021013900000000, 0.0023461400000000, -0.0015555400000000 ] - [ 0.0024747300000000, -0.0001342900000000, -0.0010355300000000 ] - [ 0.0010960300000000, 0.0005670100000000, -0.0012007500000000 ] - [ 0.0018222000000000, 0.0001782400000000, -0.0010413400000000 ] - [ 0.0012781000000000, -0.0002245700000000, -0.0010363000000000 ] - [ -0.0004830400000000, -0.0027632900000000, -0.0000022500000000 ] - [ -0.0006736200000000, -0.0004331100000000, -0.0018920600000000 ] - [ -0.0005630600000000, -0.0017373200000000, 0.0002634800000000 ] - [ -0.0004499500000000, -0.0004558000000000, -0.0017671400000000 ] - [ 0.0030243300000000, 0.0004190600000000, 0.0007275800000000 ] - [ -0.0011396700000000, -0.0000064800000000, 0.0007712500000000 ] - [ -0.0000604500000000, 0.0005878500000000, 0.0005859100000000 ] - [ -0.0000859900000000, -0.0006433800000000, 0.0008315400000000 ] - [ -0.0016198600000000, -0.0020788000000000, 0.0017993000000000 ] - [ -0.0016727000000000, 0.0017395400000000, -0.0005052500000000 ] - [ -0.0005715100000000, 0.0000689400000000, 0.0007235200000000 ] - [ 0.0016585800000000, -0.0001347300000000, 0.0008693700000000 ] - [ 0.0012397200000000, -0.0001203100000000, 0.0010059800000000 ] - [ -0.0005425100000000, 0.0000015100000000, 0.0007362200000000 ] - [ -0.0012413300000000, 0.0014944400000000, -0.0002688500000000 ] - [ -0.0013942200000000, -0.0014604200000000, 0.0014801300000000 ] - [ 0.0210452400000000, -0.0000331300000000, 0.0030265400000000 ] - [ -0.0010316500000000, -0.0000423000000000, 0.0016998600000000 ] - [ -0.0001635500000000, 0.0005438400000000, 0.0018319900000000 ] - [ -0.0000896400000000, -0.0005007000000000, 0.0017503500000000 ] - [ -0.0004797100000000, -0.0005653300000000, 0.0020675300000000 ] - [ -0.0003663200000000, 0.0005657800000000, 0.0030196600000000 ] - [ -0.0002815500000000, 0.0000191000000000, 0.0025044400000000 ] - [ 0.0005560900000000, -0.0000955600000000, 0.0024283800000000 ] - [ 0.0005576300000000, -0.0000319600000000, -0.0007305900000000 ] - [ -0.0002820900000000, -0.0000185600000000, -0.0006265600000000 ] - [ -0.0003681500000000, 0.0006317800000000, -0.0001567300000000 ] - [ -0.0004794000000000, -0.0005023200000000, -0.0009959400000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015655600000000, -0.0006635400000000, 0.0018098200000000 ] - [ -0.0016287700000000, -0.0007572200000000, 0.0018740200000000 ] - [ 0.0015468000000000, 0.0019465300000000, 0.0060495700000000 ] - [ -0.0016975000000000, -0.0009007600000000, 0.0016572900000000 ] - [ -0.0024591400000000, 0.0003663000000000, 0.0060495700000000 ] - [ 0.0014701600000000, -0.0010319400000000, 0.0018740200000000 ] - [ 0.0016288300000000, -0.0010197000000000, 0.0016572900000000 ] - [ 0.0013574300000000, -0.0010240400000000, 0.0018098200000000 ] - [ 0.0000686700000000, 0.0019204600000000, 0.0016572900000000 ] - [ 0.0001586100000000, 0.0017891600000000, 0.0018740200000000 ] - [ 0.0002081300000000, 0.0016875900000000, 0.0018098200000000 ] - [ 0.0009123400000000, -0.0023128300000000, 0.0060495700000000 ] - [ -0.0016603000000000, -0.0008789500000000, 0.0017749500000000 ] - [ 0.0032083200000000, -0.0002906200000000, 0.0043646400000000 ] - [ -0.0015605100000000, -0.0008170300000000, 0.0018713700000000 ] - [ -0.0016131700000000, -0.0008157800000000, 0.0019617900000000 ] - [ 0.0015130700000000, -0.0009891600000000, 0.0019617900000000 ] - [ 0.0015913400000000, -0.0009983900000000, 0.0017749500000000 ] - [ 0.0014878300000000, -0.0009429300000000, 0.0018713700000000 ] - [ -0.0013524700000000, 0.0029237900000000, 0.0043646400000000 ] - [ -0.0018558400000000, -0.0026331700000000, 0.0043646400000000 ] - [ 0.0001001000000000, 0.0018049400000000, 0.0019617900000000 ] - [ 0.0000726800000000, 0.0017599600000000, 0.0018713700000000 ] - [ 0.0000689600000000, 0.0018773300000000, 0.0017749500000000 ] - [ -0.0023919200000000, -0.0015211900000000, 0.0010299300000000 ] - [ -0.0017336600000000, -0.0008529800000000, 0.0017767900000000 ] - [ -0.0016534000000000, -0.0008740500000000, 0.0017174100000000 ] - [ -0.0024619900000000, -0.0008709700000000, 0.0011726900000000 ] - [ 0.0015836500000000, -0.0009948700000000, 0.0017174100000000 ] - [ 0.0016055300000000, -0.0010749000000000, 0.0017767900000000 ] - [ 0.0019852700000000, -0.0016966600000000, 0.0011726900000000 ] - [ 0.0025133500000000, -0.0013108700000000, 0.0010299300000000 ] - [ 0.0004767100000000, 0.0025676300000000, 0.0011726900000000 ] - [ 0.0001281300000000, 0.0019278800000000, 0.0017767900000000 ] - [ -0.0001214300000000, 0.0028320600000000, 0.0010299300000000 ] - [ 0.0000697500000000, 0.0018689100000000, 0.0017174100000000 ] - [ 0.0020565700000000, 0.0027457500000000, -0.0022368100000000 ] - [ -0.0003134300000000, 0.0010539900000000, -0.0015650700000000 ] - [ -0.0004074500000000, 0.0010686800000000, -0.0014534300000000 ] - [ -0.0002421500000000, 0.0011891600000000, -0.0015445600000000 ] - [ 0.0011509200000000, -0.0003848700000000, -0.0015445600000000 ] - [ 0.0010695000000000, -0.0002555500000000, -0.0015650700000000 ] - [ 0.0013496000000000, -0.0031539200000000, -0.0022368100000000 ] - [ 0.0011292300000000, -0.0001814800000000, -0.0014534300000000 ] - [ -0.0008393700000000, -0.0014310300000000, -0.0009909100000000 ] - [ -0.0014096000000000, -0.0012240400000000, -0.0005170200000000 ] - [ -0.0007783600000000, -0.0013725300000000, -0.0009743300000000 ] - [ -0.0009171100000000, -0.0022239300000000, -0.0006351300000000 ] - [ -0.0003552500000000, 0.0018327700000000, -0.0005170200000000 ] - [ -0.0014674300000000, 0.0019062000000000, -0.0006351300000000 ] - [ -0.0007994700000000, 0.0013603500000000, -0.0009743300000000 ] - [ -0.0008196200000000, 0.0014424300000000, -0.0009909100000000 ] - [ 0.0023845400000000, 0.0003177300000000, -0.0006351300000000 ] - [ 0.0016589900000000, -0.0000114000000000, -0.0009909100000000 ] - [ 0.0015778300000000, 0.0000121800000000, -0.0009743300000000 ] - [ 0.0017648500000000, -0.0006087300000000, -0.0005170200000000 ] - [ -0.0007217800000000, -0.0008872000000000, -0.0014534300000000 ] - [ -0.0007560700000000, -0.0007984400000000, -0.0015650700000000 ] - [ -0.0009087700000000, -0.0008042900000000, -0.0015445600000000 ] - [ -0.0034061700000000, 0.0004081700000000, -0.0022368100000000 ] - [ -0.0003519400000000, 0.0011117200000000, -0.0016669100000000 ] - [ -0.0004634000000000, 0.0011598100000000, -0.0015687800000000 ] - [ -0.0003878500000000, 0.0010150600000000, -0.0015651600000000 ] - [ 0.0013212000000000, 0.0005273900000000, -0.0034537300000000 ] - [ 0.0012361200000000, -0.0001785900000000, -0.0015687800000000 ] - [ -0.0002038700000000, -0.0014078800000000, -0.0034537300000000 ] - [ 0.0010730000000000, -0.0001716400000000, -0.0015651600000000 ] - [ 0.0011387400000000, -0.0002510700000000, -0.0016669100000000 ] - [ -0.0009277800000000, -0.0015339800000000, -0.0010952500000000 ] - [ -0.0007613000000000, -0.0013395600000000, -0.0010374800000000 ] - [ -0.0009034300000000, -0.0012402900000000, -0.0010523100000000 ] - [ -0.0002848700000000, 0.0011330300000000, -0.0018449200000000 ] - [ 0.0011236600000000, -0.0003198100000000, -0.0018449200000000 ] - [ -0.0007794400000000, 0.0013290800000000, -0.0010374800000000 ] - [ -0.0008645700000000, 0.0015704700000000, -0.0010952500000000 ] - [ -0.0006224000000000, 0.0014025400000000, -0.0010523100000000 ] - [ 0.0015258400000000, -0.0001622500000000, -0.0010523100000000 ] - [ 0.0015407400000000, 0.0000104700000000, -0.0010374800000000 ] - [ -0.0008388000000000, -0.0008132200000000, -0.0018449200000000 ] - [ 0.0017923500000000, -0.0000364900000000, -0.0010952500000000 ] - [ -0.0011173300000000, 0.0008805000000000, -0.0034537300000000 ] - [ -0.0007868100000000, -0.0008606400000000, -0.0016669100000000 ] - [ -0.0006851400000000, -0.0008434200000000, -0.0015651600000000 ] - [ -0.0007727200000000, -0.0009812200000000, -0.0015687800000000 ] - [ -0.0004357200000000, 0.0010159000000000, -0.0014663400000000 ] - [ -0.0004344700000000, 0.0009950900000000, -0.0015081200000000 ] - [ -0.0008001600000000, 0.0011464900000000, -0.0007549500000000 ] - [ -0.0007825300000000, 0.0007231800000000, -0.0005579000000000 ] - [ 0.0010175600000000, 0.0003161000000000, -0.0005579000000000 ] - [ 0.0010790000000000, -0.0001212800000000, -0.0015081200000000 ] - [ 0.0010976600000000, -0.0001306100000000, -0.0014663400000000 ] - [ 0.0013929700000000, 0.0001197100000000, -0.0007549500000000 ] - [ -0.0000999900000000, 0.0010259900000000, 0.0001355100000000 ] - [ -0.0008625900000000, -0.0013678600000000, -0.0011226400000000 ] - [ -0.0007564500000000, -0.0012939400000000, -0.0010273600000000 ] - [ -0.0008419500000000, -0.0014094000000000, -0.0010417800000000 ] - [ -0.0007533000000000, 0.0014309600000000, -0.0011226400000000 ] - [ -0.0007996000000000, 0.0014338500000000, -0.0010417800000000 ] - [ -0.0007423600000000, 0.0013020700000000, -0.0010273600000000 ] - [ 0.0009385300000000, -0.0004264000000000, 0.0001355100000000 ] - [ 0.0016415500000000, -0.0000244500000000, -0.0010417800000000 ] - [ -0.0008385400000000, -0.0005995900000000, 0.0001355100000000 ] - [ 0.0014988000000000, -0.0000081400000000, -0.0010273600000000 ] - [ 0.0016159000000000, -0.0000631000000000, -0.0011226400000000 ] - [ -0.0005928100000000, -0.0012662000000000, -0.0007549500000000 ] - [ -0.0006445300000000, -0.0008738000000000, -0.0015081200000000 ] - [ -0.0002350300000000, -0.0010392800000000, -0.0005579000000000 ] - [ -0.0006619400000000, -0.0008853000000000, -0.0014663400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066527300000000 ] - [ 0.0000464300000000, 0.0001218800000000, 0.0009329800000000 ] - [ -0.0001287700000000, -0.0000207300000000, 0.0009329800000000 ] - [ 0.0000823300000000, -0.0001011500000000, 0.0009329800000000 ] - [ -0.0008513800000000, -0.0001900200000000, 0.0000390400000000 ] - [ 0.0005902500000000, -0.0006423100000000, 0.0000390400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006456800000000 ] - [ 0.0002611300000000, 0.0008323300000000, 0.0000390400000000 ] - [ 0.0002015900000000, 0.0012413300000000, 0.0001569100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006513600000000 ] - [ 0.0009742300000000, -0.0007952500000000, 0.0001569100000000 ] - [ -0.0011758200000000, -0.0004460800000000, 0.0001569100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0153698600000000 ] - [ 0.0000605600000000, 0.0000472500000000, 0.0016731200000000 ] - [ -0.0000712000000000, 0.0000288200000000, 0.0016731200000000 ] - [ 0.0000106400000000, -0.0000760700000000, 0.0016731200000000 ] - [ 0.0003678600000000, 0.0003314200000000, 0.0028261900000000 ] - [ -0.0004709500000000, 0.0001528600000000, 0.0028261900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025120700000000 ] - [ 0.0001030900000000, -0.0004842800000000, 0.0028261900000000 ] - [ 0.0000750500000000, -0.0005474800000000, -0.0003010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006181400000000 ] - [ -0.0005116500000000, 0.0002087400000000, -0.0003010700000000 ] - [ 0.0004366000000000, 0.0003387300000000, -0.0003010700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016716200000000, -0.0009357600000000, 0.0019523600000000 ] - [ -0.0016070400000000, -0.0008422300000000, 0.0018885100000000 ] - [ -0.0047723800000000, -0.0035605700000000, -0.0022756600000000 ] - [ -0.0015398600000000, -0.0006997000000000, 0.0021034600000000 ] - [ 0.0054697400000000, -0.0023527200000000, -0.0022756600000000 ] - [ 0.0015329200000000, -0.0009706200000000, 0.0018885100000000 ] - [ 0.0013758900000000, -0.0009837100000000, 0.0021034600000000 ] - [ 0.0016462100000000, -0.0009797900000000, 0.0019523600000000 ] - [ 0.0001639800000000, 0.0016834100000000, 0.0021034600000000 ] - [ 0.0000741300000000, 0.0018128600000000, 0.0018885100000000 ] - [ 0.0000254200000000, 0.0019155500000000, 0.0019523600000000 ] - [ -0.0006973600000000, 0.0059132900000000, -0.0022756600000000 ] - [ -0.0015889200000000, -0.0007314800000000, 0.0019292100000000 ] - [ -0.0064832200000000, -0.0013083100000000, -0.0006878300000000 ] - [ -0.0016901800000000, -0.0007949100000000, 0.0018315900000000 ] - [ -0.0016367800000000, -0.0007959700000000, 0.0017405200000000 ] - [ 0.0015077200000000, -0.0010195100000000, 0.0017405200000000 ] - [ 0.0014279400000000, -0.0010103000000000, 0.0019292100000000 ] - [ 0.0015335000000000, -0.0010662800000000, 0.0018315900000000 ] - [ 0.0043746400000000, -0.0049604800000000, -0.0006878300000000 ] - [ 0.0021085800000000, 0.0062687900000000, -0.0006878300000000 ] - [ 0.0001290600000000, 0.0018154800000000, 0.0017405200000000 ] - [ 0.0001566800000000, 0.0018611900000000, 0.0018315900000000 ] - [ 0.0001609800000000, 0.0017417800000000, 0.0019292100000000 ] - [ -0.0008725500000000, -0.0000837600000000, 0.0026641100000000 ] - [ -0.0015221500000000, -0.0007336500000000, 0.0019364900000000 ] - [ -0.0016035200000000, -0.0007133300000000, 0.0019947400000000 ] - [ -0.0007581900000000, -0.0007085000000000, 0.0025526100000000 ] - [ 0.0014195200000000, -0.0010320300000000, 0.0019947400000000 ] - [ 0.0013964400000000, -0.0009514000000000, 0.0019364900000000 ] - [ 0.0009926700000000, -0.0003023700000000, 0.0025526100000000 ] - [ 0.0005088100000000, -0.0007137700000000, 0.0026641100000000 ] - [ -0.0002344800000000, 0.0010108600000000, 0.0025526100000000 ] - [ 0.0001257100000000, 0.0016850500000000, 0.0019364900000000 ] - [ 0.0003637400000000, 0.0007975300000000, 0.0026641100000000 ] - [ 0.0001840000000000, 0.0017453600000000, 0.0019947400000000 ] - [ -0.0027412700000000, -0.0005788600000000, -0.0007583200000000 ] - [ -0.0004012200000000, 0.0010405100000000, -0.0015382000000000 ] - [ -0.0003086000000000, 0.0010258400000000, -0.0016485700000000 ] - [ -0.0004726200000000, 0.0009053800000000, -0.0015580500000000 ] - [ 0.0010203900000000, -0.0000433900000000, -0.0015580500000000 ] - [ 0.0011017200000000, -0.0001727900000000, -0.0015382000000000 ] - [ 0.0008693300000000, 0.0026634400000000, -0.0007583200000000 ] - [ 0.0010427000000000, -0.0002456600000000, -0.0016485700000000 ] - [ -0.0007247900000000, -0.0012216900000000, -0.0010291800000000 ] - [ -0.0001408800000000, -0.0014174400000000, -0.0015084000000000 ] - [ -0.0007876000000000, -0.0012818300000000, -0.0010461800000000 ] - [ -0.0006494600000000, -0.0004364900000000, -0.0013805900000000 ] - [ -0.0011571000000000, 0.0008307300000000, -0.0015084000000000 ] - [ -0.0000532800000000, 0.0007807000000000, -0.0013805900000000 ] - [ -0.0007163000000000, 0.0013230000000000, -0.0010461800000000 ] - [ -0.0006956200000000, 0.0012385300000000, -0.0010291800000000 ] - [ 0.0007027400000000, -0.0003442000000000, -0.0013805900000000 ] - [ 0.0014204100000000, -0.0000168500000000, -0.0010291800000000 ] - [ 0.0015039000000000, -0.0000411600000000, -0.0010461800000000 ] - [ 0.0012979800000000, 0.0005867100000000, -0.0015084000000000 ] - [ -0.0007341000000000, -0.0007801700000000, -0.0016485700000000 ] - [ -0.0007005000000000, -0.0008677200000000, -0.0015382000000000 ] - [ -0.0005477700000000, -0.0008619900000000, -0.0015580500000000 ] - [ 0.0018719400000000, -0.0020845800000000, -0.0007583200000000 ] - [ -0.0003875500000000, 0.0009659700000000, -0.0013044100000000 ] - [ -0.0002748000000000, 0.0009176200000000, -0.0014035700000000 ] - [ -0.0003511100000000, 0.0010632000000000, -0.0014064800000000 ] - [ -0.0020619000000000, 0.0015583500000000, 0.0004898500000000 ] - [ 0.0009320800000000, -0.0002208200000000, -0.0014035700000000 ] - [ 0.0023805200000000, 0.0010064800000000, 0.0004898500000000 ] - [ 0.0010963100000000, -0.0002275300000000, -0.0014064800000000 ] - [ 0.0010303300000000, -0.0001473600000000, -0.0013044100000000 ] - [ -0.0006336500000000, -0.0011171000000000, -0.0009125600000000 ] - [ -0.0007987400000000, -0.0013092700000000, -0.0009705400000000 ] - [ -0.0006578100000000, -0.0014086800000000, -0.0009553500000000 ] - [ -0.0012723300000000, -0.0037892100000000, -0.0001593500000000 ] - [ -0.0026453900000000, 0.0029964700000000, -0.0001593500000000 ] - [ -0.0007344900000000, 0.0013463600000000, -0.0009705400000000 ] - [ -0.0006506200000000, 0.0011073100000000, -0.0009125600000000 ] - [ -0.0008910500000000, 0.0012740200000000, -0.0009553500000000 ] - [ 0.0015488600000000, 0.0001346700000000, -0.0009553500000000 ] - [ 0.0015332300000000, -0.0000370900000000, -0.0009705400000000 ] - [ 0.0039177100000000, 0.0007927400000000, -0.0001593500000000 ] - [ 0.0012842600000000, 0.0000098000000000, -0.0009125600000000 ] - [ -0.0003186200000000, -0.0025648300000000, 0.0004898500000000 ] - [ -0.0006427800000000, -0.0008186100000000, -0.0013044100000000 ] - [ -0.0007452000000000, -0.0008356700000000, -0.0014064800000000 ] - [ -0.0006572800000000, -0.0006967900000000, -0.0014035700000000 ] - [ -0.0003116400000000, 0.0010456400000000, -0.0016720300000000 ] - [ -0.0003124000000000, 0.0010654500000000, -0.0016306300000000 ] - [ 0.0000611600000000, 0.0009085500000000, -0.0023967100000000 ] - [ 0.0000260000000000, 0.0013347000000000, -0.0025715400000000 ] - [ 0.0011428800000000, -0.0006898600000000, -0.0025715400000000 ] - [ 0.0010789000000000, -0.0002621800000000, -0.0016306300000000 ] - [ 0.0010613700000000, -0.0002529300000000, -0.0016720300000000 ] - [ 0.0007562500000000, -0.0005072400000000, -0.0023967100000000 ] - [ -0.0014048100000000, -0.0037346000000000, -0.0022337300000000 ] - [ -0.0006993500000000, -0.0013377500000000, -0.0008937700000000 ] - [ -0.0008061500000000, -0.0014131000000000, -0.0009892100000000 ] - [ -0.0007198200000000, -0.0012951100000000, -0.0009752000000000 ] - [ -0.0008088500000000, 0.0012745300000000, -0.0008937700000000 ] - [ -0.0007616900000000, 0.0012709400000000, -0.0009752000000000 ] - [ -0.0008207000000000, 0.0014047000000000, -0.0009892100000000 ] - [ -0.0025318500000000, 0.0030839000000000, -0.0022337300000000 ] - [ 0.0014815100000000, 0.0000241700000000, -0.0009752000000000 ] - [ 0.0039366600000000, 0.0006507000000000, -0.0022337300000000 ] - [ 0.0016268600000000, 0.0000084000000000, -0.0009892100000000 ] - [ 0.0015082000000000, 0.0000632200000000, -0.0008937700000000 ] - [ -0.0008174100000000, -0.0004013100000000, -0.0023967100000000 ] - [ -0.0007665000000000, -0.0008032700000000, -0.0016306300000000 ] - [ -0.0011688800000000, -0.0006448300000000, -0.0025715400000000 ] - [ -0.0007497300000000, -0.0007927100000000, -0.0016720300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052229400000000 ] - [ -0.0000467600000000, -0.0001223100000000, 0.0005288800000000 ] - [ 0.0001293100000000, 0.0000206600000000, 0.0005288800000000 ] - [ -0.0000825500000000, 0.0001016500000000, 0.0005288800000000 ] - [ 0.0008518900000000, 0.0001887700000000, 0.0014236000000000 ] - [ -0.0005894300000000, 0.0006433700000000, 0.0014236000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008052200000000 ] - [ -0.0002624600000000, -0.0008321400000000, 0.0014236000000000 ] - [ -0.0002033900000000, -0.0012400300000000, 0.0013090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008211900000000 ] - [ -0.0009722000000000, 0.0007961500000000, 0.0013090400000000 ] - [ 0.0011755900000000, 0.0004438800000000, 0.0013090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0211586000000000 ] - [ -0.0000610500000000, -0.0000468400000000, 0.0018506200000000 ] - [ 0.0000710900000000, -0.0000294500000000, 0.0018506200000000 ] - [ -0.0000100400000000, 0.0000762900000000, 0.0018506200000000 ] - [ -0.0003649100000000, -0.0003305900000000, 0.0021816700000000 ] - [ 0.0004687600000000, -0.0001507200000000, 0.0021816700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024987100000000 ] - [ -0.0001038500000000, 0.0004813200000000, 0.0021816700000000 ] - [ -0.0000754700000000, 0.0005525300000000, -0.0009475300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006318600000000 ] - [ 0.0005162500000000, -0.0002109000000000, -0.0009475300000000 ] - [ -0.0004407700000000, -0.0003416300000000, -0.0009475300000000 ]