# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b5fc1815-ac8b-4529-9310-2c532ce18a1f/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 Y3AlO6 / Cmc2_1 (36) / materials id 754979](https://mdr.nims.go.jp/datasets/1d696265-7733-465d-be23-0be56d20a11f) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.382059390000000, -5.491205470000000, 0.000000000000000 ] # a - [ 4.382059390000000, 5.491205470000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.333762650000000 ] # c points: - symbol: Y # 1 coordinates: [ 0.086836700000000, 0.298399260000000, 0.469505700000000 ] mass: 88.905850 - symbol: Y # 2 coordinates: [ 0.298399260000000, 0.086836700000000, 0.969505700000000 ] mass: 88.905850 - symbol: Y # 3 coordinates: [ 0.603123750000000, 0.396876250000000, 0.423710160000000 ] mass: 88.905850 - symbol: Y # 4 coordinates: [ 0.396876250000000, 0.603123750000000, 0.923710160000000 ] mass: 88.905850 - symbol: Y # 5 coordinates: [ 0.913163300000000, 0.701600740000000, 0.969505700000000 ] mass: 88.905850 - symbol: Y # 6 coordinates: [ 0.701600740000000, 0.913163300000000, 0.469505700000000 ] mass: 88.905850 - symbol: Al # 7 coordinates: [ 0.805966500000000, 0.194033500000000, 0.005104520000000 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.194033500000000, 0.805966500000000, 0.505104520000000 ] mass: 26.981539 - symbol: O # 9 coordinates: [ 0.324143600000000, 0.355320160000000, 0.197893660000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.355320160000000, 0.324143600000000, 0.697893660000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.583580840000000, 0.107784240000000, 0.171696650000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.107784240000000, 0.583580840000000, 0.671696650000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.956555180000000, 0.043444820000000, 0.133482120000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.785808950000000, 0.214191050000000, 0.675559150000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.214191050000000, 0.785808950000000, 0.175559150000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.043444820000000, 0.956555180000000, 0.633482120000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.892215760000000, 0.416419160000000, 0.171696650000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.416419160000000, 0.892215760000000, 0.671696650000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.675856400000000, 0.644679840000000, 0.697893660000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.644679840000000, 0.675856400000000, 0.197893660000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.114101602808263, -0.091054687851628, 0.000000000000000 ] # a* - [ 0.114101602808263, 0.091054687851628, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.187484908050792 ] # c*unit_cell: lattice: - [ 8.764118780000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.982410939999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.333762650000000 ] # c points: - symbol: Y # 1 coordinates: [ 0.192617980000000, 0.105781280000000, 0.469505700000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 2 coordinates: [ 0.192617980000000, 0.894218720000000, 0.969505700000000 ] mass: 88.905850 reduced_to: 2 - symbol: Y # 3 coordinates: [ 0.500000000000000, 0.896876250000000, 0.423710160000000 ] mass: 88.905850 reduced_to: 3 - symbol: Y # 4 coordinates: [ 0.500000000000000, 0.103123750000000, 0.923710160000000 ] mass: 88.905850 reduced_to: 4 - symbol: Y # 5 coordinates: [ 0.807382020000000, 0.894218720000000, 0.969505700000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 6 coordinates: [ 0.807382020000000, 0.105781280000000, 0.469505700000000 ] mass: 88.905850 reduced_to: 6 - symbol: Y # 7 coordinates: [ 0.692617980000000, 0.605781280000000, 0.469505700000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 8 coordinates: [ 0.692617980000000, 0.394218720000000, 0.969505700000000 ] mass: 88.905850 reduced_to: 2 - symbol: Y # 9 coordinates: [ 0.000000000000000, 0.396876250000000, 0.423710160000000 ] mass: 88.905850 reduced_to: 3 - symbol: Y # 10 coordinates: [ 0.000000000000000, 0.603123750000000, 0.923710160000000 ] mass: 88.905850 reduced_to: 4 - symbol: Y # 11 coordinates: [ 0.307382020000000, 0.394218720000000, 0.969505700000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 12 coordinates: [ 0.307382020000000, 0.605781280000000, 0.469505700000000 ] mass: 88.905850 reduced_to: 6 - symbol: Al # 13 coordinates: [ 0.500000000000000, 0.694033500000000, 0.005104520000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.500000000000000, 0.305966500000000, 0.505104520000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.000000000000000, 0.194033500000000, 0.005104520000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 16 coordinates: [ 0.000000000000000, 0.805966500000000, 0.505104520000000 ] mass: 26.981539 reduced_to: 14 - symbol: O # 17 coordinates: [ 0.339731880000000, 0.015588280000000, 0.197893660000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.339731880000000, 0.984411720000000, 0.697893660000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.345682540000000, 0.762101700000000, 0.171696650000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.345682540000000, 0.237898300000000, 0.671696650000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.500000000000000, 0.543444820000000, 0.133482120000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.500000000000000, 0.714191050000000, 0.675559150000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.500000000000000, 0.285808950000000, 0.175559150000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.456555180000000, 0.633482120000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.654317460000000, 0.762101700000000, 0.171696650000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.654317460000000, 0.237898300000000, 0.671696650000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.660268120000000, 0.984411720000000, 0.697893660000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.660268120000000, 0.015588280000000, 0.197893660000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.839731880000000, 0.515588280000000, 0.197893660000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.839731880000000, 0.484411720000000, 0.697893660000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.845682540000000, 0.262101700000000, 0.171696650000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.845682540000000, 0.737898300000000, 0.671696650000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.043444820000000, 0.133482120000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.214191050000000, 0.675559150000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.000000000000000, 0.785808950000000, 0.175559150000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.956555180000000, 0.633482120000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 37 coordinates: [ 0.154317460000000, 0.262101700000000, 0.171696650000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 38 coordinates: [ 0.154317460000000, 0.737898300000000, 0.671696650000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 39 coordinates: [ 0.160268120000000, 0.484411720000000, 0.697893660000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 40 coordinates: [ 0.160268120000000, 0.515588280000000, 0.197893660000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 8.764118780000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.982410939999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.667525299999999 ] # c points: - symbol: Y # 1 coordinates: [ 0.192617980000000, 0.105781280000000, 0.234752850000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 2 coordinates: [ 0.192617980000000, 0.105781280000000, 0.734752850000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 3 coordinates: [ 0.192617980000000, 0.894218720000000, 0.484752850000000 ] mass: 88.905850 reduced_to: 3 - symbol: Y # 4 coordinates: [ 0.192617980000000, 0.894218720000000, 0.984752850000000 ] mass: 88.905850 reduced_to: 3 - symbol: Y # 5 coordinates: [ 0.500000000000000, 0.896876250000000, 0.211855080000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 6 coordinates: [ 0.500000000000000, 0.896876250000000, 0.711855080000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 7 coordinates: [ 0.500000000000000, 0.103123750000000, 0.461855080000000 ] mass: 88.905850 reduced_to: 7 - symbol: Y # 8 coordinates: [ 0.500000000000000, 0.103123750000000, 0.961855080000000 ] mass: 88.905850 reduced_to: 7 - symbol: Y # 9 coordinates: [ 0.807382020000000, 0.894218720000000, 0.484752850000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 10 coordinates: [ 0.807382020000000, 0.894218720000000, 0.984752850000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 11 coordinates: [ 0.807382020000000, 0.105781280000000, 0.234752850000000 ] mass: 88.905850 reduced_to: 11 - symbol: Y # 12 coordinates: [ 0.807382020000000, 0.105781280000000, 0.734752850000000 ] mass: 88.905850 reduced_to: 11 - symbol: Y # 13 coordinates: [ 0.692617980000000, 0.605781280000000, 0.234752850000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 14 coordinates: [ 0.692617980000000, 0.605781280000000, 0.734752850000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 15 coordinates: [ 0.692617980000000, 0.394218720000000, 0.484752850000000 ] mass: 88.905850 reduced_to: 3 - symbol: Y # 16 coordinates: [ 0.692617980000000, 0.394218720000000, 0.984752850000000 ] mass: 88.905850 reduced_to: 3 - symbol: Y # 17 coordinates: [ 0.000000000000000, 0.396876250000000, 0.211855080000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 18 coordinates: [ 0.000000000000000, 0.396876250000000, 0.711855080000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 19 coordinates: [ 0.000000000000000, 0.603123750000000, 0.461855080000000 ] mass: 88.905850 reduced_to: 7 - symbol: Y # 20 coordinates: [ 0.000000000000000, 0.603123750000000, 0.961855080000000 ] mass: 88.905850 reduced_to: 7 - symbol: Y # 21 coordinates: [ 0.307382020000000, 0.394218720000000, 0.484752850000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 22 coordinates: [ 0.307382020000000, 0.394218720000000, 0.984752850000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 23 coordinates: [ 0.307382020000000, 0.605781280000000, 0.234752850000000 ] mass: 88.905850 reduced_to: 11 - symbol: Y # 24 coordinates: [ 0.307382020000000, 0.605781280000000, 0.734752850000000 ] mass: 88.905850 reduced_to: 11 - symbol: Al # 25 coordinates: [ 0.500000000000000, 0.694033500000000, 0.002552260000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.500000000000000, 0.694033500000000, 0.502552260000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 27 coordinates: [ 0.500000000000000, 0.305966500000000, 0.252552260000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.500000000000000, 0.305966500000000, 0.752552260000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 29 coordinates: [ 0.000000000000000, 0.194033500000000, 0.002552260000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 30 coordinates: [ 0.000000000000000, 0.194033500000000, 0.502552260000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 31 coordinates: [ 0.000000000000000, 0.805966500000000, 0.252552260000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 32 coordinates: [ 0.000000000000000, 0.805966500000000, 0.752552260000000 ] mass: 26.981539 reduced_to: 27 - symbol: O # 33 coordinates: [ 0.339731880000000, 0.015588280000000, 0.098946830000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.339731880000000, 0.015588280000000, 0.598946830000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.339731880000000, 0.984411720000000, 0.348946830000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.339731880000000, 0.984411720000000, 0.848946830000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.345682540000000, 0.762101700000000, 0.085848325000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.345682540000000, 0.762101700000000, 0.585848325000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.345682540000000, 0.237898300000000, 0.335848325000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.345682540000000, 0.237898300000000, 0.835848325000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.543444820000000, 0.066741060000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.500000000000000, 0.543444820000000, 0.566741060000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.714191050000000, 0.337779575000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.714191050000000, 0.837779575000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.500000000000000, 0.285808950000000, 0.087779575000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.285808950000000, 0.587779575000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.456555180000000, 0.316741060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.456555180000000, 0.816741060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.654317460000000, 0.762101700000000, 0.085848325000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.654317460000000, 0.762101700000000, 0.585848325000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.654317460000000, 0.237898300000000, 0.335848325000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.654317460000000, 0.237898300000000, 0.835848325000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.660268120000000, 0.984411720000000, 0.348946830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.660268120000000, 0.984411720000000, 0.848946830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.660268120000000, 0.015588280000000, 0.098946830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.660268120000000, 0.015588280000000, 0.598946830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.839731880000000, 0.515588280000000, 0.098946830000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 58 coordinates: [ 0.839731880000000, 0.515588280000000, 0.598946830000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 59 coordinates: [ 0.839731880000000, 0.484411720000000, 0.348946830000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 60 coordinates: [ 0.839731880000000, 0.484411720000000, 0.848946830000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 61 coordinates: [ 0.845682540000000, 0.262101700000000, 0.085848325000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.845682540000000, 0.262101700000000, 0.585848325000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 63 coordinates: [ 0.845682540000000, 0.737898300000000, 0.335848325000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 64 coordinates: [ 0.845682540000000, 0.737898300000000, 0.835848325000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 65 coordinates: [ 0.000000000000000, 0.043444820000000, 0.066741060000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.043444820000000, 0.566741060000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.214191050000000, 0.337779575000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.214191050000000, 0.837779575000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 69 coordinates: [ 0.000000000000000, 0.785808950000000, 0.087779575000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.000000000000000, 0.785808950000000, 0.587779575000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.956555180000000, 0.316741060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 72 coordinates: [ 0.000000000000000, 0.956555180000000, 0.816741060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 73 coordinates: [ 0.154317460000000, 0.262101700000000, 0.085848325000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.154317460000000, 0.262101700000000, 0.585848325000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.154317460000000, 0.737898300000000, 0.335848325000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 76 coordinates: [ 0.154317460000000, 0.737898300000000, 0.835848325000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 77 coordinates: [ 0.160268120000000, 0.484411720000000, 0.348946830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.160268120000000, 0.484411720000000, 0.848946830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.160268120000000, 0.515588280000000, 0.098946830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.160268120000000, 0.515588280000000, 0.598946830000000 ] mass: 15.999400 reduced_to: 55displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1574169400000000, 0.0399881000000000, -0.0008034000000000 ] - [ -0.0052767800000000, 0.0020645500000000, 0.0003734600000000 ] - [ -0.0155159200000000, -0.0032154400000000, 0.0020460400000000 ] - [ -0.0155047900000000, -0.0029842100000000, -0.0034439200000000 ] - [ 0.0196040400000000, -0.0160794400000000, -0.0015572600000000 ] - [ 0.0020267800000000, -0.0010750000000000, 0.0001038200000000 ] - [ 0.0168712400000000, -0.0006945100000000, 0.0152309800000000 ] - [ 0.0107384600000000, 0.0023387700000000, -0.0117915900000000 ] - [ 0.0066220400000000, 0.0019024800000000, -0.0043726100000000 ] - [ 0.0066244200000000, 0.0036987700000000, 0.0024650800000000 ] - [ 0.0441669600000000, 0.0029562100000000, 0.0011244900000000 ] - [ 0.0036608100000000, 0.0009699500000000, 0.0000469200000000 ] - [ 0.0035478200000000, -0.0003053200000000, -0.0000635500000000 ] - [ 0.0011629700000000, -0.0004367800000000, 0.0001797700000000 ] - [ 0.0049604300000000, -0.0002670500000000, -0.0001342500000000 ] - [ 0.0049645500000000, 0.0002583200000000, 0.0001159700000000 ] - [ 0.0008122100000000, -0.0161807900000000, 0.0026482400000000 ] - [ -0.0006165800000000, -0.0019353600000000, 0.0002106600000000 ] - [ -0.0012031200000000, 0.0000240700000000, -0.0012674300000000 ] - [ -0.0003982000000000, -0.0001874300000000, 0.0013905100000000 ] - [ -0.0058957300000000, 0.0065054000000000, 0.0057738500000000 ] - [ -0.0059448100000000, 0.0006837900000000, -0.0004450200000000 ] - [ -0.0028234600000000, -0.0011669800000000, -0.0003223900000000 ] - [ -0.0006589500000000, -0.0009168200000000, 0.0005987100000000 ] - [ 0.0012919300000000, -0.0011383500000000, -0.0006042600000000 ] - [ 0.0008792200000000, -0.0005201800000000, 0.0009994800000000 ] - [ 0.0160616800000000, 0.0118937500000000, -0.0005704200000000 ] - [ 0.0001824300000000, 0.0004636800000000, 0.0009293800000000 ] - [ 0.0048306700000000, -0.0096762500000000, 0.0157704000000000 ] - [ 0.0002883900000000, -0.0023291800000000, -0.0179787200000000 ] - [ -0.0009882300000000, 0.0113912900000000, 0.0016638600000000 ] - [ -0.0006815500000000, 0.0012488300000000, 0.0000343700000000 ] - [ 0.0282409300000000, -0.0115246100000000, -0.0150391300000000 ] - [ 0.0015382900000000, 0.0001751800000000, -0.0043481000000000 ] - [ 0.0270019200000000, -0.0110403700000000, 0.0085444100000000 ] - [ 0.0010762600000000, 0.0005243100000000, 0.0041125700000000 ] - [ 0.0004353400000000, 0.0039181800000000, 0.0010520900000000 ] - [ 0.0000199000000000, 0.0007096200000000, -0.0005798100000000 ] - [ 0.0210396500000000, 0.0086212700000000, 0.0067190100000000 ] - [ 0.0013360900000000, -0.0009057700000000, 0.0002845500000000 ] - [ -0.0002766100000000, 0.0001310400000000, 0.0005926400000000 ] - [ -0.0007155900000000, -0.0003054700000000, -0.0005055800000000 ] - [ -0.0008004400000000, 0.0021034700000000, -0.0003980500000000 ] - [ -0.0004047500000000, 0.0005022700000000, 0.0003942100000000 ] - [ -0.0042321500000000, -0.0053403700000000, 0.0056014700000000 ] - [ -0.0012126200000000, -0.0014448200000000, -0.0022956200000000 ] - [ -0.0028849300000000, -0.0038362100000000, -0.0002387500000000 ] - [ 0.0000369400000000, -0.0002904700000000, -0.0005698500000000 ] - [ -0.0023990600000000, 0.0006569700000000, 0.0014130800000000 ] - [ -0.0012799300000000, -0.0004738600000000, 0.0004311900000000 ] - [ -0.0094677100000000, 0.0009078600000000, 0.0006329800000000 ] - [ -0.0019804900000000, -0.0005869900000000, 0.0007973600000000 ] - [ -0.0094200200000000, -0.0011424600000000, 0.0003531800000000 ] - [ -0.0028845900000000, 0.0007229800000000, 0.0000250100000000 ] - [ -0.0104654900000000, -0.0016726200000000, -0.0012947400000000 ] - [ -0.0036161000000000, 0.0013079500000000, -0.0013674000000000 ] - [ -0.0019239000000000, 0.0015836200000000, -0.0008097700000000 ] - [ -0.0005042300000000, 0.0005918100000000, 0.0001718300000000 ] - [ -0.0021960800000000, 0.0016215900000000, 0.0008574600000000 ] - [ -0.0008470700000000, -0.0000969900000000, -0.0000641300000000 ] - [ -0.0047520000000000, 0.0043224100000000, -0.0028128300000000 ] - [ -0.0022404800000000, 0.0009798000000000, 0.0031872900000000 ] - [ -0.0021901900000000, -0.0031472900000000, 0.0004371200000000 ] - [ -0.0002848000000000, -0.0003412600000000, -0.0005383800000000 ] - [ 0.0007934000000000, -0.0059631700000000, -0.0102374000000000 ] - [ 0.0008868000000000, -0.0015146300000000, 0.0052236000000000 ] - [ 0.0111915400000000, -0.0037446500000000, -0.0027772200000000 ] - [ 0.0002036800000000, 0.0010567400000000, -0.0037818600000000 ] - [ 0.0011745100000000, -0.0032076700000000, -0.0027253300000000 ] - [ 0.0017428400000000, -0.0000268200000000, 0.0000069900000000 ] - [ 0.0034178200000000, -0.0092589900000000, 0.0055065800000000 ] - [ 0.0009734900000000, -0.0019902500000000, -0.0013876300000000 ] - [ 0.0115423500000000, 0.0071694800000000, -0.0058356900000000 ] - [ 0.0041261100000000, 0.0008728000000000, 0.0018813000000000 ] - [ 0.0039423100000000, -0.0013045200000000, 0.0007635000000000 ] - [ 0.0009364000000000, 0.0009851400000000, 0.0007251700000000 ] - [ 0.0038527100000000, 0.0001109500000000, 0.0010935500000000 ] - [ 0.0008267700000000, 0.0004361400000000, -0.0005183100000000 ] - [ 0.0022229200000000, 0.0023235600000000, -0.0002783300000000 ] - [ 0.0020482600000000, -0.0004537500000000, -0.0007553700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1569869000000000, -0.0397930300000000, 0.0000010000000000 ] - [ 0.0053085800000000, -0.0023158400000000, -0.0004450300000000 ] - [ 0.0155614600000000, 0.0035324000000000, -0.0021864900000000 ] - [ 0.0155722400000000, 0.0033012000000000, 0.0034312400000000 ] - [ -0.0195188200000000, 0.0158818100000000, 0.0014074900000000 ] - [ -0.0020370200000000, 0.0010853300000000, -0.0001975200000000 ] - [ -0.0168219700000000, 0.0007017400000000, -0.0151615500000000 ] - [ -0.0107697800000000, -0.0023768600000000, 0.0116395300000000 ] - [ -0.0066466800000000, -0.0016757500000000, 0.0043091700000000 ] - [ -0.0066441700000000, -0.0034631600000000, -0.0025849800000000 ] - [ -0.0447587400000000, -0.0032456300000000, -0.0012354400000000 ] - [ -0.0036813600000000, -0.0012225000000000, -0.0001248000000000 ] - [ -0.0035298100000000, 0.0000485500000000, -0.0000251400000000 ] - [ -0.0011430800000000, 0.0001781800000000, -0.0002677900000000 ] - [ -0.0049418800000000, 0.0005417900000000, 0.0000578200000000 ] - [ -0.0049380100000000, 0.0000227000000000, -0.0002277200000000 ] - [ -0.0007250100000000, 0.0162406500000000, -0.0028095200000000 ] - [ 0.0006267800000000, 0.0019479300000000, -0.0002987100000000 ] - [ 0.0012082800000000, -0.0000407600000000, 0.0011722200000000 ] - [ 0.0004117900000000, 0.0001660800000000, -0.0014881600000000 ] - [ 0.0058869900000000, -0.0062664900000000, -0.0058798100000000 ] - [ 0.0058378000000000, -0.0004772700000000, 0.0003895900000000 ] - [ 0.0027963500000000, 0.0009026600000000, 0.0002235800000000 ] - [ 0.0006310400000000, 0.0006552700000000, -0.0006848900000000 ] - [ -0.0012988200000000, 0.0009254200000000, 0.0005694000000000 ] - [ -0.0008846600000000, 0.0003059200000000, -0.0010347800000000 ] - [ -0.0160383200000000, -0.0115506300000000, 0.0005906200000000 ] - [ -0.0001894600000000, -0.0002488600000000, -0.0009620300000000 ] - [ -0.0047119100000000, 0.0095625900000000, -0.0159010500000000 ] - [ -0.0002629600000000, 0.0021388100000000, 0.0180478800000000 ] - [ 0.0009926400000000, -0.0112162800000000, -0.0017049100000000 ] - [ 0.0006858700000000, -0.0010349300000000, -0.0000627200000000 ] - [ -0.0275318500000000, 0.0109856300000000, 0.0140409100000000 ] - [ -0.0016374700000000, 0.0000087200000000, 0.0043041300000000 ] - [ -0.0265209300000000, 0.0101195100000000, -0.0079478700000000 ] - [ -0.0011763900000000, -0.0007000000000000, -0.0041673700000000 ] - [ -0.0005475100000000, -0.0040360600000000, -0.0009929800000000 ] - [ -0.0001364700000000, -0.0008184600000000, 0.0006340300000000 ] - [ -0.0204683500000000, -0.0077784300000000, -0.0060818200000000 ] - [ -0.0014400800000000, 0.0010120000000000, -0.0002437700000000 ] - [ 0.0002864800000000, 0.0001155100000000, -0.0003601200000000 ] - [ 0.0007204400000000, 0.0005575900000000, 0.0007350800000000 ] - [ 0.0008053200000000, -0.0020586800000000, 0.0004480400000000 ] - [ 0.0004075400000000, -0.0004583100000000, -0.0003441600000000 ] - [ 0.0042240900000000, 0.0052374700000000, -0.0055023700000000 ] - [ 0.0012211200000000, 0.0013969600000000, 0.0023456500000000 ] - [ 0.0029027600000000, 0.0035921900000000, 0.0004591300000000 ] - [ -0.0000281300000000, 0.0000399100000000, 0.0007985000000000 ] - [ 0.0025193800000000, -0.0007591300000000, -0.0013593800000000 ] - [ 0.0014012800000000, 0.0003693700000000, -0.0003818300000000 ] - [ 0.0096304100000000, -0.0008408300000000, -0.0006132100000000 ] - [ 0.0021038800000000, 0.0006995000000000, -0.0007420700000000 ] - [ 0.0095298400000000, 0.0009984700000000, -0.0004202600000000 ] - [ 0.0029912600000000, -0.0009025300000000, -0.0000550700000000 ] - [ 0.0106047200000000, 0.0018880300000000, 0.0013084200000000 ] - [ 0.0037215600000000, -0.0011294200000000, 0.0013200400000000 ] - [ 0.0018172700000000, -0.0014117500000000, 0.0007723000000000 ] - [ 0.0003993000000000, -0.0004147800000000, -0.0002121100000000 ] - [ 0.0020873700000000, -0.0018057200000000, -0.0008904600000000 ] - [ 0.0007376900000000, -0.0000857900000000, 0.0000326500000000 ] - [ 0.0046177800000000, -0.0044806800000000, 0.0029183200000000 ] - [ 0.0021220200000000, -0.0010954900000000, -0.0031424600000000 ] - [ 0.0020721200000000, 0.0032537900000000, -0.0003845900000000 ] - [ 0.0001682600000000, 0.0004525600000000, 0.0005913300000000 ] - [ -0.0010905800000000, 0.0061168200000000, 0.0102941200000000 ] - [ -0.0009001200000000, 0.0017701200000000, -0.0050219300000000 ] - [ -0.0117946100000000, 0.0042865000000000, 0.0033373600000000 ] - [ -0.0002231500000000, -0.0010263700000000, 0.0038126800000000 ] - [ -0.0011853300000000, 0.0031773900000000, 0.0027881300000000 ] - [ -0.0017453300000000, -0.0000127100000000, 0.0000398400000000 ] - [ -0.0038008700000000, 0.0087846100000000, -0.0051657600000000 ] - [ -0.0009770800000000, 0.0017409600000000, 0.0016125000000000 ] - [ -0.0115933600000000, -0.0071965000000000, 0.0057870900000000 ] - [ -0.0040239700000000, -0.0009853000000000, -0.0018389300000000 ] - [ -0.0038389800000000, 0.0014313800000000, -0.0007099400000000 ] - [ -0.0008236700000000, -0.0008777000000000, -0.0006764800000000 ] - [ -0.0037602000000000, -0.0002879200000000, -0.0011269700000000 ] - [ -0.0007285400000000, -0.0006068400000000, 0.0004722700000000 ] - [ -0.0021266800000000, -0.0021161500000000, 0.0002517300000000 ] - [ -0.0019564800000000, 0.0006395300000000, 0.0007211400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0393001300000000, -0.1379085900000000, -0.0110396700000000 ] - [ 0.0021992400000000, -0.0070851800000000, -0.0000708300000000 ] - [ 0.0031625800000000, 0.0115507000000000, -0.0204846500000000 ] - [ 0.0033818200000000, 0.0115641700000000, 0.0187497300000000 ] - [ -0.0181065600000000, 0.0114065900000000, 0.0031905200000000 ] - [ -0.0015469800000000, 0.0009490100000000, -0.0002831900000000 ] - [ -0.0012029000000000, -0.0185023000000000, -0.0001259200000000 ] - [ -0.0040887700000000, -0.0109080500000000, 0.0043597300000000 ] - [ 0.0035694200000000, 0.0012345200000000, -0.0054468300000000 ] - [ 0.0017884500000000, 0.0012602100000000, 0.0028403200000000 ] - [ -0.0030360000000000, -0.0196556000000000, -0.0033668600000000 ] - [ -0.0011056500000000, -0.0046395800000000, 0.0003221700000000 ] - [ -0.0001662900000000, 0.0063032100000000, 0.0002807300000000 ] - [ -0.0002956800000000, 0.0033234100000000, -0.0001208500000000 ] - [ -0.0001059900000000, 0.0021830100000000, 0.0023319500000000 ] - [ 0.0004190000000000, 0.0021880900000000, -0.0026689900000000 ] - [ -0.0145082100000000, 0.0230625200000000, -0.0008166500000000 ] - [ -0.0010548800000000, 0.0013521000000000, 0.0002218200000000 ] - [ -0.0002644700000000, 0.0066352200000000, -0.0001600700000000 ] - [ -0.0007689500000000, 0.0060992400000000, -0.0006412400000000 ] - [ 0.0005802300000000, 0.0100063500000000, 0.0094510000000000 ] - [ 0.0063882600000000, 0.0100141200000000, -0.0092201500000000 ] - [ 0.0010369400000000, 0.0098506500000000, 0.0004721900000000 ] - [ 0.0007761000000000, 0.0044729300000000, -0.0002840300000000 ] - [ -0.0010508300000000, 0.0037621200000000, 0.0009940600000000 ] - [ -0.0007222000000000, 0.0033956700000000, -0.0006344100000000 ] - [ 0.0157315800000000, 0.0080752400000000, -0.0019857600000000 ] - [ 0.0006277600000000, -0.0003850200000000, 0.0006214700000000 ] - [ -0.0133889800000000, -0.0138443600000000, -0.0110705300000000 ] - [ -0.0030404500000000, -0.0062334100000000, 0.0124708700000000 ] - [ 0.0053519400000000, 0.0143959300000000, 0.0006127700000000 ] - [ 0.0004220600000000, 0.0006584600000000, -0.0008269000000000 ] - [ -0.0112745400000000, 0.0195072000000000, 0.0085993000000000 ] - [ 0.0006369400000000, 0.0035776000000000, 0.0043781500000000 ] - [ -0.0078962100000000, 0.0241639200000000, -0.0059901100000000 ] - [ 0.0004679300000000, 0.0013926600000000, -0.0043552300000000 ] - [ 0.0010861900000000, -0.0058460200000000, -0.0008204800000000 ] - [ 0.0013803500000000, -0.0032251800000000, 0.0019398800000000 ] - [ 0.0096147400000000, 0.0253183100000000, 0.0063238400000000 ] - [ -0.0014473000000000, 0.0028796200000000, 0.0018930500000000 ] - [ -0.0004428000000000, -0.0035402600000000, -0.0001613700000000 ] - [ -0.0003859800000000, -0.0025991200000000, -0.0004450500000000 ] - [ 0.0005924200000000, -0.0045000800000000, 0.0002992900000000 ] - [ 0.0002057600000000, -0.0017731400000000, -0.0005080600000000 ] - [ -0.0051687200000000, 0.0002788000000000, 0.0051083600000000 ] - [ -0.0014937100000000, 0.0014638300000000, -0.0016847800000000 ] - [ -0.0025230300000000, -0.0051041700000000, -0.0000038200000000 ] - [ -0.0007399800000000, -0.0010783200000000, 0.0012897900000000 ] - [ 0.0008599200000000, -0.0031601400000000, -0.0008736600000000 ] - [ -0.0004017300000000, -0.0021581600000000, 0.0009140600000000 ] - [ -0.0038401300000000, 0.0028533100000000, -0.0007064100000000 ] - [ 0.0004026000000000, 0.0025015600000000, -0.0001915000000000 ] - [ 0.0022941500000000, 0.0035047400000000, 0.0011733500000000 ] - [ 0.0007472900000000, 0.0005792000000000, -0.0011447400000000 ] - [ 0.0038907900000000, 0.0032040800000000, 0.0001867800000000 ] - [ -0.0001769100000000, 0.0020926500000000, 0.0005713800000000 ] - [ 0.0017273300000000, -0.0032516800000000, 0.0008911300000000 ] - [ -0.0000456400000000, -0.0016415500000000, -0.0003740900000000 ] - [ 0.0019114900000000, -0.0040711500000000, -0.0014480700000000 ] - [ 0.0000268100000000, -0.0016223700000000, 0.0007311600000000 ] - [ 0.0052554600000000, 0.0031031500000000, 0.0017883500000000 ] - [ 0.0011323300000000, 0.0008974600000000, -0.0030328200000000 ] - [ -0.0021520800000000, -0.0049881200000000, 0.0006365300000000 ] - [ -0.0003347400000000, -0.0017224200000000, -0.0002521600000000 ] - [ -0.0037034100000000, 0.0140863300000000, -0.0038707400000000 ] - [ -0.0009243200000000, 0.0054420900000000, 0.0008643400000000 ] - [ -0.0005696600000000, 0.0140429400000000, 0.0016117500000000 ] - [ 0.0017773600000000, 0.0035425200000000, 0.0030683300000000 ] - [ -0.0018433300000000, -0.0043339100000000, -0.0029479700000000 ] - [ -0.0013726700000000, -0.0023470800000000, 0.0017337400000000 ] - [ -0.0095559000000000, 0.0047555900000000, 0.0032604600000000 ] - [ -0.0005688100000000, 0.0007201400000000, -0.0012864200000000 ] - [ 0.0004467500000000, 0.0115485400000000, 0.0012405700000000 ] - [ 0.0005144900000000, 0.0012270000000000, -0.0051572600000000 ] - [ 0.0003606700000000, -0.0076940400000000, 0.0007330000000000 ] - [ -0.0000779000000000, -0.0028599400000000, -0.0012582200000000 ] - [ 0.0000517600000000, -0.0073126000000000, -0.0014019400000000 ] - [ 0.0008092500000000, -0.0027973600000000, 0.0018957400000000 ] - [ -0.0006461500000000, -0.0068910300000000, 0.0003709200000000 ] - [ 0.0011111200000000, -0.0027467600000000, -0.0012601300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0404748900000000, 0.1376457900000000, 0.0105185700000000 ] - [ -0.0021811800000000, 0.0068069100000000, -0.0000080700000000 ] - [ -0.0031227200000000, -0.0112895800000000, 0.0205317200000000 ] - [ -0.0033658300000000, -0.0112757400000000, -0.0189706200000000 ] - [ 0.0182590700000000, -0.0113956000000000, -0.0033153800000000 ] - [ 0.0015487300000000, -0.0009245900000000, 0.0001895100000000 ] - [ 0.0011771000000000, 0.0184496100000000, 0.0000022100000000 ] - [ 0.0040581600000000, 0.0108526600000000, -0.0044119300000000 ] - [ -0.0035925800000000, -0.0009648300000000, 0.0053457700000000 ] - [ -0.0017896600000000, -0.0009388800000000, -0.0029252900000000 ] - [ 0.0031654000000000, 0.0193588400000000, 0.0032400000000000 ] - [ 0.0010868700000000, 0.0043660300000000, -0.0003998400000000 ] - [ 0.0001875200000000, -0.0065354800000000, -0.0003699100000000 ] - [ 0.0003192600000000, -0.0035685000000000, 0.0000330500000000 ] - [ 0.0001295800000000, -0.0019406800000000, -0.0024102800000000 ] - [ -0.0003899000000000, -0.0019357600000000, 0.0025626500000000 ] - [ 0.0142994100000000, -0.0228147700000000, 0.0006939600000000 ] - [ 0.0010495100000000, -0.0013527600000000, -0.0003164100000000 ] - [ 0.0002423700000000, -0.0066308200000000, 0.0000838100000000 ] - [ 0.0007623500000000, -0.0060973900000000, 0.0005223600000000 ] - [ -0.0005806600000000, -0.0097257200000000, -0.0094727500000000 ] - [ -0.0063838200000000, -0.0097181100000000, 0.0090573000000000 ] - [ -0.0010326100000000, -0.0100850100000000, -0.0005697000000000 ] - [ -0.0007959500000000, -0.0047175000000000, 0.0001969000000000 ] - [ 0.0010608900000000, -0.0039653900000000, -0.0010314100000000 ] - [ 0.0007247300000000, -0.0035964900000000, 0.0006034500000000 ] - [ -0.0155966800000000, -0.0078417300000000, 0.0019579400000000 ] - [ -0.0006236100000000, 0.0005930800000000, -0.0006525100000000 ] - [ 0.0133579900000000, 0.0134545200000000, 0.0110446600000000 ] - [ 0.0030497200000000, 0.0059664300000000, -0.0125078000000000 ] - [ -0.0054621500000000, -0.0142404000000000, -0.0006216200000000 ] - [ -0.0004230500000000, -0.0004248800000000, 0.0007966100000000 ] - [ 0.0116223900000000, -0.0195438500000000, -0.0090640300000000 ] - [ -0.0007448900000000, -0.0033960100000000, -0.0044157700000000 ] - [ 0.0085406300000000, -0.0250438200000000, 0.0066267500000000 ] - [ -0.0005730200000000, -0.0015775700000000, 0.0043032500000000 ] - [ -0.0012161000000000, 0.0057191700000000, 0.0008925700000000 ] - [ -0.0015016300000000, 0.0031063700000000, -0.0018881700000000 ] - [ -0.0089795400000000, -0.0245377900000000, -0.0056413200000000 ] - [ 0.0013269600000000, -0.0027550800000000, -0.0018325000000000 ] - [ 0.0004370500000000, 0.0037834000000000, 0.0003955200000000 ] - [ 0.0003825500000000, 0.0028429700000000, 0.0006704300000000 ] - [ -0.0006000600000000, 0.0045265600000000, -0.0002520700000000 ] - [ -0.0002081400000000, 0.0018091200000000, 0.0005607600000000 ] - [ 0.0051286700000000, -0.0003106800000000, -0.0050269800000000 ] - [ 0.0014887600000000, -0.0014974300000000, 0.0017352800000000 ] - [ 0.0025024900000000, 0.0048428400000000, 0.0002260600000000 ] - [ 0.0007365400000000, 0.0008287300000000, -0.0010548800000000 ] - [ -0.0007500400000000, 0.0030287800000000, 0.0009317500000000 ] - [ 0.0005149000000000, 0.0020377600000000, -0.0008601300000000 ] - [ 0.0039353200000000, -0.0027265600000000, 0.0007509700000000 ] - [ -0.0002862500000000, -0.0023750400000000, 0.0002427400000000 ] - [ -0.0021933200000000, -0.0036821800000000, -0.0012037000000000 ] - [ -0.0006476400000000, -0.0007613000000000, 0.0010972900000000 ] - [ -0.0037972900000000, -0.0030274100000000, -0.0002188300000000 ] - [ 0.0002733000000000, -0.0019086300000000, -0.0006097200000000 ] - [ -0.0018131600000000, 0.0034201900000000, -0.0009177200000000 ] - [ -0.0000510700000000, 0.0018219300000000, 0.0003295800000000 ] - [ -0.0019949600000000, 0.0038796400000000, 0.0013990100000000 ] - [ -0.0001285000000000, 0.0014423700000000, -0.0007614900000000 ] - [ -0.0053491700000000, -0.0031754100000000, -0.0017254300000000 ] - [ -0.0012494000000000, -0.0009943800000000, 0.0030863500000000 ] - [ 0.0020353800000000, 0.0050623700000000, -0.0005874100000000 ] - [ 0.0002218500000000, 0.0018150400000000, 0.0003023100000000 ] - [ 0.0035328200000000, -0.0139753600000000, 0.0039080300000000 ] - [ 0.0009190600000000, -0.0051902800000000, -0.0006307500000000 ] - [ 0.0003027800000000, -0.0138191900000000, -0.0013683800000000 ] - [ -0.0017707900000000, -0.0034756900000000, -0.0030245100000000 ] - [ 0.0018685900000000, 0.0042798200000000, 0.0030263800000000 ] - [ 0.0013762700000000, 0.0022899700000000, -0.0016914300000000 ] - [ 0.0092723500000000, -0.0054265800000000, -0.0028601800000000 ] - [ 0.0005711800000000, -0.0009850200000000, 0.0014908200000000 ] - [ -0.0004584500000000, -0.0109849600000000, -0.0017785400000000 ] - [ -0.0003903500000000, -0.0013210700000000, 0.0051951500000000 ] - [ -0.0002306600000000, 0.0078110700000000, -0.0007025800000000 ] - [ 0.0001954100000000, 0.0029523500000000, 0.0013088600000000 ] - [ 0.0000509600000000, 0.0070989300000000, 0.0013417700000000 ] - [ -0.0007029000000000, 0.0026164900000000, -0.0019222100000000 ] - [ 0.0007454300000000, 0.0070394200000000, -0.0003918700000000 ] - [ -0.0010076600000000, 0.0029227800000000, 0.0012120100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010249500000000, -0.0105944600000000, -0.1466586200000000 ] - [ 0.0004204600000000, -0.0001586400000000, 0.0111062200000000 ] - [ -0.0034191500000000, -0.0188194500000000, 0.0170748900000000 ] - [ 0.0021156400000000, 0.0205103700000000, 0.0169910100000000 ] - [ -0.0016963500000000, 0.0022445000000000, -0.0199019000000000 ] - [ 0.0002496300000000, 0.0001365800000000, 0.0063815600000000 ] - [ 0.0162716800000000, 0.0000617900000000, 0.0117942600000000 ] - [ -0.0121844400000000, -0.0028114400000000, 0.0115705400000000 ] - [ -0.0025296900000000, -0.0027562600000000, 0.0020728300000000 ] - [ 0.0043164600000000, 0.0055119200000000, 0.0021058700000000 ] - [ -0.0011115800000000, -0.0034243800000000, -0.0186379600000000 ] - [ -0.0001074300000000, 0.0002364200000000, 0.0073286200000000 ] - [ -0.0000058400000000, 0.0001979200000000, -0.0035860500000000 ] - [ 0.0002356700000000, -0.0002058500000000, 0.0027046700000000 ] - [ 0.0001852100000000, 0.0027375900000000, 0.0012286200000000 ] - [ -0.0000822800000000, -0.0022355700000000, 0.0012441800000000 ] - [ 0.0041027800000000, -0.0008542600000000, -0.0152811300000000 ] - [ -0.0004834900000000, 0.0006617800000000, 0.0055186500000000 ] - [ -0.0007595500000000, -0.0004615600000000, 0.0006622200000000 ] - [ 0.0010924500000000, 0.0002755600000000, 0.0006360900000000 ] - [ 0.0004213700000000, 0.0092652400000000, 0.0057623400000000 ] - [ -0.0058290000000000, -0.0093033600000000, 0.0057823400000000 ] - [ 0.0002604000000000, 0.0003905700000000, -0.0055121300000000 ] - [ -0.0006519100000000, -0.0003715400000000, 0.0038426300000000 ] - [ -0.0012881100000000, 0.0007894400000000, 0.0012060000000000 ] - [ 0.0007925600000000, -0.0009456700000000, -0.0002322900000000 ] - [ 0.0055933700000000, 0.0031357500000000, -0.0118420600000000 ] - [ -0.0006048000000000, -0.0003774200000000, 0.0041556700000000 ] - [ 0.0185116100000000, -0.0106265600000000, 0.0193594400000000 ] - [ -0.0097636300000000, 0.0054596600000000, 0.0162467800000000 ] - [ 0.0002462000000000, -0.0028287800000000, -0.0071829700000000 ] - [ 0.0004068900000000, 0.0006941000000000, 0.0037746200000000 ] - [ -0.0173937500000000, 0.0134028300000000, 0.0337741700000000 ] - [ -0.0007088500000000, 0.0007182700000000, -0.0077281700000000 ] - [ 0.0072589000000000, -0.0073243100000000, 0.0230056900000000 ] - [ 0.0011235300000000, -0.0004560200000000, -0.0079627500000000 ] - [ 0.0015830300000000, -0.0046404900000000, 0.0020581000000000 ] - [ -0.0014251700000000, 0.0020219700000000, -0.0023854500000000 ] - [ 0.0067029700000000, 0.0057433000000000, 0.0186314000000000 ] - [ 0.0005482300000000, 0.0005791700000000, -0.0046784700000000 ] - [ 0.0009096000000000, 0.0006027500000000, 0.0013716500000000 ] - [ -0.0004858100000000, -0.0004248400000000, -0.0009664300000000 ] - [ -0.0006794900000000, 0.0003146100000000, 0.0021110900000000 ] - [ 0.0002370700000000, -0.0001533000000000, -0.0015440700000000 ] - [ 0.0030471500000000, 0.0032765200000000, 0.0039182100000000 ] - [ -0.0008037800000000, -0.0014885000000000, -0.0037823600000000 ] - [ -0.0021745400000000, -0.0039235900000000, 0.0017992200000000 ] - [ 0.0007035600000000, 0.0005821400000000, -0.0018741500000000 ] - [ -0.0004159000000000, -0.0007654400000000, 0.0018400900000000 ] - [ 0.0002645000000000, 0.0005423100000000, -0.0012264800000000 ] - [ -0.0030740000000000, -0.0003012700000000, 0.0023351400000000 ] - [ 0.0010986000000000, 0.0008813200000000, -0.0026174800000000 ] - [ -0.0017840300000000, 0.0012297100000000, 0.0030420200000000 ] - [ 0.0005724000000000, -0.0007800300000000, -0.0034412500000000 ] - [ 0.0025177500000000, -0.0006443100000000, 0.0042762500000000 ] - [ -0.0013584500000000, 0.0011799000000000, -0.0037100700000000 ] - [ -0.0003883900000000, 0.0007650000000000, 0.0014843700000000 ] - [ 0.0001010500000000, -0.0002785100000000, -0.0014062500000000 ] - [ -0.0007312800000000, -0.0008285400000000, 0.0020299000000000 ] - [ 0.0001988300000000, 0.0002721900000000, -0.0017231600000000 ] - [ -0.0056493300000000, 0.0028313900000000, 0.0034908800000000 ] - [ 0.0013355700000000, -0.0010003800000000, -0.0036506400000000 ] - [ 0.0010001900000000, 0.0022340800000000, 0.0009848500000000 ] - [ -0.0003089100000000, -0.0009661800000000, -0.0016681400000000 ] - [ -0.0122026900000000, -0.0053322200000000, 0.0011124000000000 ] - [ 0.0030913700000000, 0.0011384600000000, -0.0063550100000000 ] - [ -0.0002303600000000, 0.0012611800000000, 0.0141063000000000 ] - [ -0.0012715000000000, 0.0009811700000000, -0.0071511200000000 ] - [ -0.0013829700000000, -0.0027663800000000, 0.0033570500000000 ] - [ 0.0011874000000000, 0.0015210200000000, -0.0028462200000000 ] - [ 0.0038195800000000, 0.0025933100000000, 0.0123439600000000 ] - [ -0.0007076100000000, -0.0003378000000000, -0.0049186000000000 ] - [ 0.0009377300000000, 0.0019084900000000, 0.0124502400000000 ] - [ 0.0005089400000000, -0.0019873500000000, -0.0065678800000000 ] - [ 0.0002479900000000, 0.0034415100000000, 0.0021053100000000 ] - [ -0.0001411800000000, -0.0020333200000000, -0.0028953500000000 ] - [ 0.0010350300000000, -0.0025597000000000, 0.0022774800000000 ] - [ -0.0007545100000000, 0.0010829000000000, -0.0028068900000000 ] - [ -0.0004695300000000, 0.0035594900000000, 0.0025098100000000 ] - [ 0.0008308800000000, -0.0012064800000000, -0.0022241200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002227400000000, 0.0109693600000000, 0.1471450700000000 ] - [ -0.0003981700000000, -0.0000960400000000, -0.0112139500000000 ] - [ 0.0034555100000000, 0.0189013900000000, -0.0171224100000000 ] - [ -0.0021166600000000, -0.0205063200000000, -0.0172067600000000 ] - [ 0.0016804300000000, -0.0022193300000000, 0.0199045700000000 ] - [ -0.0002293300000000, -0.0001421300000000, -0.0065038800000000 ] - [ -0.0161490900000000, -0.0000712200000000, -0.0119079800000000 ] - [ 0.0123113500000000, 0.0028138000000000, -0.0117278400000000 ] - [ 0.0025204000000000, 0.0030094500000000, -0.0022260100000000 ] - [ -0.0043653800000000, -0.0052806800000000, -0.0021932000000000 ] - [ 0.0012482400000000, 0.0031826900000000, 0.0186388000000000 ] - [ 0.0000644000000000, -0.0004858900000000, -0.0074327500000000 ] - [ 0.0000327000000000, -0.0004527700000000, 0.0035168700000000 ] - [ -0.0002118800000000, -0.0000520900000000, -0.0028073300000000 ] - [ -0.0001585000000000, -0.0024939300000000, -0.0013436900000000 ] - [ 0.0001097000000000, 0.0025067000000000, -0.0013282700000000 ] - [ -0.0040850400000000, 0.0007888100000000, 0.0152621500000000 ] - [ 0.0004703700000000, -0.0006324700000000, -0.0056296400000000 ] - [ 0.0007575500000000, 0.0004547300000000, -0.0007796900000000 ] - [ -0.0010986100000000, -0.0002922200000000, -0.0007240000000000 ] - [ -0.0004131900000000, -0.0090120300000000, -0.0059025100000000 ] - [ 0.0058248400000000, 0.0096202800000000, -0.0058826700000000 ] - [ -0.0002856600000000, -0.0006512900000000, 0.0054481600000000 ] - [ 0.0006317500000000, 0.0001093300000000, -0.0039467300000000 ] - [ 0.0012973700000000, -0.0010084100000000, -0.0012382700000000 ] - [ -0.0007903000000000, 0.0007335300000000, 0.0001843200000000 ] - [ -0.0056521500000000, -0.0029658500000000, 0.0118693300000000 ] - [ 0.0006153500000000, 0.0006027600000000, -0.0042087700000000 ] - [ -0.0187694800000000, 0.0105627100000000, -0.0195867800000000 ] - [ 0.0096048500000000, -0.0055716200000000, -0.0162619300000000 ] - [ -0.0002400400000000, 0.0031264900000000, 0.0072051100000000 ] - [ -0.0004122400000000, -0.0004927300000000, -0.0038245100000000 ] - [ 0.0183196600000000, -0.0140073200000000, -0.0346627000000000 ] - [ 0.0005825200000000, -0.0005188400000000, 0.0077048300000000 ] - [ -0.0067217700000000, 0.0064811600000000, -0.0225553400000000 ] - [ -0.0012405000000000, 0.0002850200000000, 0.0079679600000000 ] - [ -0.0017151800000000, 0.0045573000000000, -0.0020233300000000 ] - [ 0.0013039300000000, -0.0021259500000000, 0.0024506000000000 ] - [ -0.0063597100000000, -0.0051662900000000, -0.0182716900000000 ] - [ -0.0006769100000000, -0.0004847900000000, 0.0047467500000000 ] - [ -0.0009142900000000, -0.0003537300000000, -0.0011514300000000 ] - [ 0.0004850900000000, 0.0006796800000000, 0.0012044900000000 ] - [ 0.0006815900000000, -0.0002775100000000, -0.0020656500000000 ] - [ -0.0002399200000000, 0.0002025800000000, 0.0015959200000000 ] - [ -0.0030672700000000, -0.0033423800000000, -0.0039044800000000 ] - [ 0.0007996500000000, 0.0014426000000000, 0.0038562900000000 ] - [ 0.0021870500000000, 0.0037014700000000, -0.0015782100000000 ] - [ -0.0007078800000000, -0.0008394200000000, 0.0021086200000000 ] - [ 0.0005320000000000, 0.0006588500000000, -0.0017994100000000 ] - [ -0.0001561700000000, -0.0006542900000000, 0.0012918900000000 ] - [ 0.0031973700000000, 0.0004099000000000, -0.0022877900000000 ] - [ -0.0009886000000000, -0.0007829900000000, 0.0026774000000000 ] - [ 0.0018765100000000, -0.0014084600000000, -0.0030774900000000 ] - [ -0.0004798500000000, 0.0006056000000000, 0.0034091300000000 ] - [ -0.0024302700000000, 0.0008296700000000, -0.0043416300000000 ] - [ 0.0014630200000000, -0.0009983200000000, 0.0036994500000000 ] - [ 0.0002859700000000, -0.0005868200000000, -0.0015355300000000 ] - [ -0.0002009800000000, 0.0004578100000000, 0.0013807200000000 ] - [ 0.0006297600000000, 0.0006558000000000, -0.0020715000000000 ] - [ -0.0002986500000000, -0.0004566000000000, 0.0016866500000000 ] - [ 0.0055618200000000, -0.0029566200000000, -0.0034639900000000 ] - [ -0.0014482800000000, 0.0008846900000000, 0.0037418100000000 ] - [ -0.0011320600000000, -0.0021613600000000, -0.0009326000000000 ] - [ 0.0001972400000000, 0.0010817000000000, 0.0017230400000000 ] - [ 0.0120884800000000, 0.0055295000000000, -0.0012089500000000 ] - [ -0.0030401300000000, -0.0008773800000000, 0.0065734600000000 ] - [ -0.0001523000000000, -0.0009553700000000, -0.0137302800000000 ] - [ 0.0012882200000000, -0.0009477600000000, 0.0072209200000000 ] - [ 0.0013907600000000, 0.0027347100000000, -0.0033414800000000 ] - [ -0.0011860800000000, -0.0015617200000000, 0.0029155500000000 ] - [ -0.0040235100000000, -0.0030516500000000, -0.0119728900000000 ] - [ 0.0007196600000000, 0.0000954600000000, 0.0051581400000000 ] - [ -0.0009654300000000, -0.0015042500000000, -0.0129426200000000 ] - [ -0.0003801500000000, 0.0018423900000000, 0.0066182100000000 ] - [ -0.0001209500000000, -0.0033533100000000, -0.0020505000000000 ] - [ 0.0002597200000000, 0.0021592100000000, 0.0029597000000000 ] - [ -0.0009338600000000, 0.0023920400000000, -0.0023144700000000 ] - [ 0.0008603800000000, -0.0012680300000000, 0.0027740700000000 ] - [ 0.0005792000000000, -0.0033871400000000, -0.0025601300000000 ] - [ -0.0007353100000000, 0.0013861100000000, 0.0022037500000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0195089100000000, -0.0181913100000000, -0.0017253900000000 ] - [ 0.0020452200000000, -0.0016748900000000, 0.0001966100000000 ] - [ 0.0107662100000000, 0.0042006900000000, -0.0122464800000000 ] - [ 0.0168206400000000, 0.0013104600000000, 0.0160760400000000 ] - [ -0.1407665900000000, -0.0010526400000000, 0.0000924500000000 ] - [ -0.0049440200000000, -0.0000030600000000, -0.0000494300000000 ] - [ -0.0185763900000000, -0.0000153200000000, -0.0000702900000000 ] - [ -0.0185766000000000, -0.0000262900000000, -0.0000252600000000 ] - [ 0.0107419900000000, -0.0039461900000000, 0.0122491300000000 ] - [ 0.0168723600000000, -0.0010699300000000, -0.0163451100000000 ] - [ 0.0196138900000000, 0.0181744100000000, 0.0016516800000000 ] - [ 0.0020186200000000, 0.0014209000000000, -0.0002824200000000 ] - [ 0.0007219500000000, -0.0145409100000000, 0.0040589000000000 ] - [ -0.0006174000000000, -0.0011791200000000, -0.0005221300000000 ] - [ -0.0004004600000000, 0.0009018000000000, 0.0010499900000000 ] - [ -0.0011957100000000, 0.0003874700000000, -0.0008026600000000 ] - [ 0.0030596700000000, 0.0000088100000000, -0.0000524500000000 ] - [ 0.0009129400000000, 0.0000076100000000, -0.0000479000000000 ] - [ 0.0040628400000000, -0.0000266700000000, -0.0000321400000000 ] - [ 0.0040626600000000, -0.0000118400000000, -0.0000508300000000 ] - [ -0.0004094200000000, -0.0006295200000000, -0.0011410800000000 ] - [ -0.0012155800000000, -0.0001194600000000, 0.0007143600000000 ] - [ 0.0008154100000000, 0.0142651100000000, -0.0041286900000000 ] - [ -0.0006259400000000, 0.0009252700000000, 0.0004315700000000 ] - [ -0.0199951500000000, -0.0000678900000000, 0.0000178500000000 ] - [ -0.0023334200000000, -0.0001080700000000, -0.0000805200000000 ] - [ -0.0039396700000000, 0.0001147200000000, -0.0000175100000000 ] - [ -0.0006496800000000, 0.0001114200000000, -0.0000176800000000 ] - [ 0.0031631600000000, -0.0001023500000000, -0.0000191600000000 ] - [ 0.0015884700000000, -0.0001049600000000, -0.0000144300000000 ] - [ 0.0116554800000000, 0.0001015200000000, -0.0000277900000000 ] - [ 0.0021559700000000, 0.0001061400000000, -0.0000130400000000 ] - [ 0.0219408600000000, -0.0041087200000000, 0.0024818900000000 ] - [ 0.0017827300000000, 0.0017436300000000, 0.0037678600000000 ] - [ 0.0199807600000000, -0.0062402200000000, -0.0056627700000000 ] - [ 0.0021636700000000, 0.0009564500000000, -0.0044711500000000 ] - [ 0.0105110500000000, -0.0046111400000000, -0.0024176600000000 ] - [ 0.0015647200000000, -0.0014606200000000, 0.0014503100000000 ] - [ 0.0022574600000000, 0.0043173500000000, 0.0015516600000000 ] - [ 0.0008736100000000, 0.0001393600000000, 0.0001554000000000 ] - [ 0.0054298600000000, 0.0001222100000000, 0.0001141500000000 ] - [ 0.0006036600000000, 0.0001151300000000, 0.0001317400000000 ] - [ 0.0127850900000000, -0.0000791500000000, 0.0000872900000000 ] - [ 0.0035367000000000, 0.0000227400000000, 0.0000194700000000 ] - [ 0.0022073300000000, -0.0000264700000000, 0.0000250200000000 ] - [ 0.0004359900000000, -0.0000258600000000, 0.0000244800000000 ] - [ 0.0019807100000000, -0.0001461700000000, 0.0001112900000000 ] - [ 0.0005695900000000, -0.0001287700000000, 0.0001161800000000 ] - [ 0.0109572200000000, 0.0042830500000000, 0.0022077000000000 ] - [ 0.0017039800000000, 0.0013671600000000, -0.0013795200000000 ] - [ 0.0023821700000000, -0.0042268800000000, -0.0015055900000000 ] - [ 0.0009870200000000, -0.0000368100000000, -0.0001029400000000 ] - [ 0.0207261700000000, 0.0066013600000000, 0.0063104200000000 ] - [ 0.0022694200000000, -0.0011406400000000, 0.0044422600000000 ] - [ 0.0227228100000000, 0.0049188000000000, -0.0030593700000000 ] - [ 0.0018856100000000, -0.0015696900000000, -0.0038104500000000 ] - [ -0.0015949800000000, 0.0015452400000000, 0.0003550900000000 ] - [ -0.0007053000000000, -0.0000546200000000, -0.0000365700000000 ] - [ -0.0015628700000000, 0.0013038800000000, -0.0009020000000000 ] - [ -0.0004870600000000, 0.0002623300000000, 0.0001981600000000 ] - [ -0.0020201100000000, -0.0024062400000000, 0.0014764600000000 ] - [ -0.0006280600000000, -0.0003338700000000, -0.0000787100000000 ] - [ -0.0071339200000000, 0.0041390900000000, -0.0025794900000000 ] - [ -0.0017596900000000, 0.0013647700000000, 0.0023098100000000 ] - [ -0.0069754900000000, 0.0001180400000000, 0.0001235100000000 ] - [ -0.0024515300000000, 0.0001210400000000, 0.0001109000000000 ] - [ -0.0046022600000000, 0.0000142600000000, 0.0000241700000000 ] - [ -0.0010792600000000, 0.0000199800000000, 0.0000263800000000 ] - [ -0.0067172200000000, -0.0000135300000000, 0.0000405900000000 ] - [ -0.0039847500000000, -0.0000195400000000, 0.0000172500000000 ] - [ -0.0090354900000000, -0.0001314900000000, 0.0001058400000000 ] - [ -0.0028005200000000, -0.0001243800000000, 0.0001148900000000 ] - [ -0.0019082300000000, 0.0022903700000000, -0.0014177200000000 ] - [ -0.0005147300000000, 0.0002213100000000, 0.0001313200000000 ] - [ -0.0069969500000000, -0.0039608700000000, 0.0025936600000000 ] - [ -0.0016519300000000, -0.0012480200000000, -0.0022570600000000 ] - [ -0.0014755100000000, -0.0014766600000000, 0.0008705000000000 ] - [ -0.0003889900000000, -0.0004441400000000, -0.0002359600000000 ] - [ -0.0015078300000000, -0.0013758900000000, -0.0003970100000000 ] - [ -0.0006159400000000, 0.0002369500000000, -0.0000078500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0160316100000000, 0.0112567100000000, 0.0021977500000000 ] - [ -0.0010659000000000, 0.0008002700000000, 0.0000920800000000 ] - [ -0.0023213900000000, -0.0107089000000000, 0.0027363800000000 ] - [ 0.0007289900000000, -0.0183000400000000, -0.0000892100000000 ] - [ 0.0000000000000000, -0.1611627000000000, -0.0119691300000000 ] - [ 0.0000000000000000, -0.0065176700000000, 0.0003322400000000 ] - [ 0.0000000000000000, 0.0109539500000000, 0.0182999400000000 ] - [ 0.0000000000000000, 0.0109696100000000, -0.0200685900000000 ] - [ 0.0023213900000000, -0.0107089000000000, 0.0027363800000000 ] - [ -0.0007289900000000, -0.0183000400000000, -0.0000892100000000 ] - [ 0.0160316100000000, 0.0112567100000000, 0.0021977500000000 ] - [ 0.0010659000000000, 0.0008002700000000, 0.0000920800000000 ] - [ -0.0160847400000000, 0.0226727900000000, -0.0008563500000000 ] - [ -0.0019244100000000, 0.0012246900000000, 0.0006015900000000 ] - [ 0.0001913100000000, 0.0062144600000000, -0.0003179900000000 ] - [ -0.0000126400000000, 0.0067436700000000, 0.0004050800000000 ] - [ 0.0000000000000000, 0.0060408900000000, -0.0000425300000000 ] - [ 0.0000000000000000, 0.0028287800000000, 0.0001575400000000 ] - [ 0.0000000000000000, 0.0008005200000000, -0.0029984700000000 ] - [ 0.0000000000000000, 0.0008026200000000, 0.0027666800000000 ] - [ -0.0001913100000000, 0.0062144600000000, -0.0003179900000000 ] - [ 0.0000126400000000, 0.0067436700000000, 0.0004050800000000 ] - [ 0.0160847400000000, 0.0226727900000000, -0.0008563500000000 ] - [ 0.0019244100000000, 0.0012246900000000, 0.0006015900000000 ] - [ 0.0000000000000000, 0.0151280900000000, 0.0196750600000000 ] - [ 0.0000000000000000, 0.0009821300000000, -0.0166313900000000 ] - [ 0.0000000000000000, 0.0087258900000000, 0.0003020000000000 ] - [ 0.0000000000000000, 0.0026591900000000, -0.0000067200000000 ] - [ 0.0000000000000000, 0.0017678000000000, -0.0010151700000000 ] - [ 0.0000000000000000, 0.0011922100000000, 0.0017933200000000 ] - [ 0.0000000000000000, -0.0068959900000000, -0.0001236300000000 ] - [ 0.0000000000000000, -0.0018805000000000, 0.0008995500000000 ] - [ -0.0044299400000000, 0.0250092300000000, -0.0047745800000000 ] - [ 0.0007985500000000, 0.0013274900000000, -0.0033305900000000 ] - [ -0.0055183200000000, 0.0194656400000000, 0.0047348200000000 ] - [ 0.0010774100000000, 0.0030380200000000, 0.0028240400000000 ] - [ -0.0057296200000000, 0.0121442100000000, -0.0040175100000000 ] - [ -0.0024983800000000, 0.0032614100000000, 0.0032899800000000 ] - [ 0.0001079800000000, -0.0059442800000000, -0.0018109300000000 ] - [ 0.0004970900000000, -0.0023654700000000, 0.0007873000000000 ] - [ 0.0000000000000000, -0.0074833400000000, -0.0021169800000000 ] - [ 0.0000000000000000, -0.0026223300000000, 0.0032011000000000 ] - [ 0.0000000000000000, 0.0047660500000000, 0.0034227100000000 ] - [ 0.0000000000000000, -0.0000574000000000, -0.0059665000000000 ] - [ 0.0000000000000000, -0.0058243900000000, 0.0012551400000000 ] - [ 0.0000000000000000, -0.0030310800000000, -0.0008263400000000 ] - [ 0.0000000000000000, -0.0077065500000000, 0.0006915700000000 ] - [ 0.0000000000000000, -0.0025496800000000, -0.0002363900000000 ] - [ 0.0057296200000000, 0.0121442100000000, -0.0040175100000000 ] - [ 0.0024983800000000, 0.0032614100000000, 0.0032899800000000 ] - [ -0.0001079800000000, -0.0059442800000000, -0.0018109300000000 ] - [ -0.0004970900000000, -0.0023654700000000, 0.0007873000000000 ] - [ 0.0055183200000000, 0.0194656400000000, 0.0047348200000000 ] - [ -0.0010774100000000, 0.0030380200000000, 0.0028240400000000 ] - [ 0.0044299400000000, 0.0250092300000000, -0.0047745800000000 ] - [ -0.0007985500000000, 0.0013274900000000, -0.0033305900000000 ] - [ 0.0025023300000000, -0.0042831200000000, -0.0021785300000000 ] - [ 0.0000174900000000, -0.0012012000000000, 0.0002510800000000 ] - [ 0.0016103800000000, -0.0037001200000000, 0.0017216100000000 ] - [ 0.0000416900000000, -0.0015775400000000, -0.0004386600000000 ] - [ -0.0005751300000000, -0.0041444300000000, 0.0013019800000000 ] - [ 0.0000351700000000, -0.0017766500000000, -0.0002941500000000 ] - [ 0.0044328300000000, 0.0031746100000000, 0.0032595400000000 ] - [ 0.0011112800000000, 0.0021546200000000, -0.0007154500000000 ] - [ 0.0000000000000000, 0.0013147700000000, 0.0025092200000000 ] - [ 0.0000000000000000, -0.0000446000000000, -0.0005904100000000 ] - [ 0.0000000000000000, -0.0031674200000000, -0.0015180800000000 ] - [ 0.0000000000000000, -0.0010445800000000, 0.0005946800000000 ] - [ 0.0000000000000000, 0.0034337100000000, -0.0012217100000000 ] - [ 0.0000000000000000, 0.0030133900000000, -0.0007865000000000 ] - [ 0.0000000000000000, 0.0042676600000000, -0.0002108400000000 ] - [ 0.0000000000000000, 0.0013688100000000, -0.0003299000000000 ] - [ 0.0005751300000000, -0.0041444300000000, 0.0013019800000000 ] - [ -0.0000351700000000, -0.0017766500000000, -0.0002941500000000 ] - [ -0.0044328300000000, 0.0031746100000000, 0.0032595400000000 ] - [ -0.0011112800000000, 0.0021546200000000, -0.0007154500000000 ] - [ -0.0016103800000000, -0.0037001200000000, 0.0017216100000000 ] - [ -0.0000416900000000, -0.0015775400000000, -0.0004386600000000 ] - [ -0.0025023300000000, -0.0042831200000000, -0.0021785300000000 ] - [ -0.0000174900000000, -0.0012012000000000, 0.0002510800000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0159300900000000, -0.0115456900000000, -0.0022663400000000 ] - [ 0.0010946500000000, -0.0010734300000000, -0.0001866500000000 ] - [ 0.0023946400000000, 0.0110518200000000, -0.0028890300000000 ] - [ -0.0006671100000000, 0.0186520100000000, 0.0000442000000000 ] - [ 0.0000000000000000, 0.1610096000000000, 0.0122752900000000 ] - [ 0.0000000000000000, 0.0065712900000000, -0.0004382100000000 ] - [ 0.0000000000000000, -0.0110044400000000, -0.0182748400000000 ] - [ 0.0000000000000000, -0.0109892700000000, 0.0198469600000000 ] - [ -0.0023946400000000, 0.0110518200000000, -0.0028890300000000 ] - [ 0.0006671100000000, 0.0186520100000000, 0.0000442000000000 ] - [ -0.0159300900000000, -0.0115456900000000, -0.0022663400000000 ] - [ -0.0010946500000000, -0.0010734300000000, -0.0001866500000000 ] - [ 0.0163386200000000, -0.0232050900000000, 0.0007866400000000 ] - [ 0.0019590900000000, -0.0014803500000000, -0.0006926100000000 ] - [ -0.0001621500000000, -0.0059824500000000, 0.0002496000000000 ] - [ 0.0000523100000000, -0.0065226900000000, -0.0005112300000000 ] - [ 0.0000000000000000, -0.0060715900000000, -0.0000579400000000 ] - [ 0.0000000000000000, -0.0028368300000000, -0.0002566500000000 ] - [ 0.0000000000000000, -0.0008031300000000, 0.0029226300000000 ] - [ 0.0000000000000000, -0.0008008900000000, -0.0028856000000000 ] - [ 0.0001621500000000, -0.0059824500000000, 0.0002496000000000 ] - [ -0.0000523100000000, -0.0065226900000000, -0.0005112300000000 ] - [ -0.0163386200000000, -0.0232050900000000, 0.0007866400000000 ] - [ -0.0019590900000000, -0.0014803500000000, -0.0006926100000000 ] - [ 0.0000000000000000, -0.0154516900000000, -0.0199765100000000 ] - [ 0.0000000000000000, -0.0012190700000000, 0.0167532500000000 ] - [ 0.0000000000000000, -0.0085095000000000, -0.0003326900000000 ] - [ 0.0000000000000000, -0.0024599700000000, -0.0000277200000000 ] - [ 0.0000000000000000, -0.0020073300000000, 0.0009847800000000 ] - [ 0.0000000000000000, -0.0014318600000000, -0.0018377400000000 ] - [ 0.0000000000000000, 0.0071683900000000, 0.0000849900000000 ] - [ 0.0000000000000000, 0.0021096200000000, -0.0009426100000000 ] - [ 0.0036354500000000, -0.0241764700000000, 0.0041443600000000 ] - [ -0.0008966500000000, -0.0011506800000000, 0.0033262900000000 ] - [ 0.0049710000000000, -0.0193415400000000, -0.0043482100000000 ] - [ -0.0011782800000000, -0.0032316100000000, -0.0028681700000000 ] - [ 0.0054331100000000, -0.0125681500000000, 0.0038558700000000 ] - [ 0.0024025400000000, -0.0033995900000000, -0.0032595500000000 ] - [ -0.0001980500000000, 0.0060724700000000, 0.0018414800000000 ] - [ -0.0006113400000000, 0.0024921500000000, -0.0007333800000000 ] - [ 0.0000000000000000, 0.0077763200000000, 0.0023778800000000 ] - [ 0.0000000000000000, 0.0028769100000000, -0.0029826700000000 ] - [ 0.0000000000000000, -0.0054539400000000, -0.0029225800000000 ] - [ 0.0000000000000000, 0.0000974700000000, 0.0060498800000000 ] - [ 0.0000000000000000, 0.0057903600000000, -0.0011873600000000 ] - [ 0.0000000000000000, 0.0030104300000000, 0.0008765500000000 ] - [ 0.0000000000000000, 0.0075000100000000, -0.0004727700000000 ] - [ 0.0000000000000000, 0.0023110700000000, 0.0004741400000000 ] - [ -0.0054331100000000, -0.0125681500000000, 0.0038558700000000 ] - [ -0.0024025400000000, -0.0033995900000000, -0.0032595500000000 ] - [ 0.0001980500000000, 0.0060724700000000, 0.0018414800000000 ] - [ 0.0006113400000000, 0.0024921500000000, -0.0007333800000000 ] - [ -0.0049710000000000, -0.0193415400000000, -0.0043482100000000 ] - [ 0.0011782800000000, -0.0032316100000000, -0.0028681700000000 ] - [ -0.0036354500000000, -0.0241764700000000, 0.0041443600000000 ] - [ 0.0008966500000000, -0.0011506800000000, 0.0033262900000000 ] - [ -0.0026284600000000, 0.0044902600000000, 0.0021635500000000 ] - [ -0.0001209400000000, 0.0013836900000000, -0.0002940100000000 ] - [ -0.0017299900000000, 0.0035400400000000, -0.0017742800000000 ] - [ -0.0001461100000000, 0.0014024500000000, 0.0004085300000000 ] - [ 0.0004573300000000, 0.0040734300000000, -0.0012539800000000 ] - [ -0.0001556300000000, 0.0016854000000000, 0.0003453900000000 ] - [ -0.0045847000000000, -0.0031079800000000, -0.0032294300000000 ] - [ -0.0012303300000000, -0.0020595400000000, 0.0007668300000000 ] - [ 0.0000000000000000, -0.0010712900000000, -0.0022861400000000 ] - [ 0.0000000000000000, 0.0003048600000000, 0.0008309800000000 ] - [ 0.0000000000000000, 0.0032412800000000, 0.0015772300000000 ] - [ 0.0000000000000000, 0.0010996600000000, -0.0005461800000000 ] - [ 0.0000000000000000, -0.0035017300000000, 0.0012785500000000 ] - [ 0.0000000000000000, -0.0030812900000000, 0.0008446000000000 ] - [ 0.0000000000000000, -0.0045421000000000, 0.0004367400000000 ] - [ 0.0000000000000000, -0.0016282200000000, 0.0005620300000000 ] - [ -0.0004573300000000, 0.0040734300000000, -0.0012539800000000 ] - [ 0.0001556300000000, 0.0016854000000000, 0.0003453900000000 ] - [ 0.0045847000000000, -0.0031079800000000, -0.0032294300000000 ] - [ 0.0012303300000000, -0.0020595400000000, 0.0007668300000000 ] - [ 0.0017299900000000, 0.0035400400000000, -0.0017742800000000 ] - [ 0.0001461100000000, 0.0014024500000000, 0.0004085300000000 ] - [ 0.0026284600000000, 0.0044902600000000, 0.0021635500000000 ] - [ 0.0001209400000000, 0.0013836900000000, -0.0002940100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014523600000000, 0.0031088100000000, -0.0199878400000000 ] - [ 0.0001548000000000, -0.0003566800000000, 0.0064048100000000 ] - [ -0.0117598800000000, -0.0042647000000000, 0.0116277800000000 ] - [ 0.0151473900000000, 0.0001905500000000, 0.0118062900000000 ] - [ 0.0000000000000000, -0.0128087100000000, -0.1487718100000000 ] - [ 0.0000000000000000, 0.0003867700000000, 0.0114954800000000 ] - [ 0.0000000000000000, 0.0200856600000000, 0.0190122300000000 ] - [ 0.0000000000000000, -0.0181863200000000, 0.0188769800000000 ] - [ 0.0117598800000000, -0.0042647000000000, 0.0116277800000000 ] - [ -0.0151473900000000, 0.0001905500000000, 0.0118062900000000 ] - [ 0.0014523600000000, 0.0031088100000000, -0.0199878400000000 ] - [ -0.0001548000000000, -0.0003566800000000, 0.0064048100000000 ] - [ 0.0027234300000000, -0.0008476300000000, -0.0153359400000000 ] - [ 0.0002707500000000, 0.0001345000000000, 0.0055381400000000 ] - [ 0.0014525500000000, 0.0007136200000000, 0.0006314000000000 ] - [ -0.0012071300000000, 0.0002526400000000, 0.0006824300000000 ] - [ 0.0000000000000000, 0.0000125000000000, -0.0030014900000000 ] - [ 0.0000000000000000, 0.0002146600000000, 0.0023709000000000 ] - [ 0.0000000000000000, -0.0028354700000000, 0.0010450200000000 ] - [ 0.0000000000000000, 0.0029584700000000, 0.0010568300000000 ] - [ -0.0014525500000000, 0.0007136200000000, 0.0006314000000000 ] - [ 0.0012071300000000, 0.0002526400000000, 0.0006824300000000 ] - [ -0.0027234300000000, -0.0008476300000000, -0.0153359400000000 ] - [ -0.0002707500000000, 0.0001345000000000, 0.0055381400000000 ] - [ 0.0000000000000000, 0.0207360300000000, 0.0158428400000000 ] - [ 0.0000000000000000, -0.0068805400000000, 0.0115956800000000 ] - [ 0.0000000000000000, 0.0005545700000000, -0.0051555900000000 ] - [ 0.0000000000000000, -0.0003089100000000, 0.0032379600000000 ] - [ 0.0000000000000000, -0.0023846000000000, 0.0008832600000000 ] - [ 0.0000000000000000, 0.0019601100000000, -0.0000541700000000 ] - [ 0.0000000000000000, -0.0004568700000000, -0.0080689200000000 ] - [ 0.0000000000000000, 0.0002325500000000, 0.0048971300000000 ] - [ 0.0008111600000000, -0.0024530500000000, 0.0211980800000000 ] - [ 0.0011350500000000, -0.0004477700000000, -0.0079929200000000 ] - [ -0.0047309600000000, 0.0051664000000000, 0.0230540200000000 ] - [ -0.0007840800000000, 0.0008896100000000, -0.0077517600000000 ] - [ -0.0041297400000000, -0.0057135600000000, 0.0097526500000000 ] - [ 0.0002766100000000, 0.0018171100000000, -0.0056676400000000 ] - [ 0.0011125800000000, -0.0035414500000000, 0.0024678800000000 ] - [ -0.0009222900000000, 0.0013013300000000, -0.0022972800000000 ] - [ 0.0000000000000000, -0.0055357500000000, 0.0015778800000000 ] - [ 0.0000000000000000, 0.0019383100000000, -0.0025528800000000 ] - [ 0.0000000000000000, 0.0043015600000000, 0.0124544900000000 ] - [ 0.0000000000000000, -0.0015177900000000, -0.0070622800000000 ] - [ 0.0000000000000000, 0.0025668800000000, 0.0020579900000000 ] - [ 0.0000000000000000, -0.0020550900000000, -0.0026719800000000 ] - [ 0.0000000000000000, 0.0010637700000000, 0.0019641500000000 ] - [ 0.0000000000000000, -0.0001406400000000, -0.0015116000000000 ] - [ 0.0041297400000000, -0.0057135600000000, 0.0097526500000000 ] - [ -0.0002766100000000, 0.0018171100000000, -0.0056676400000000 ] - [ -0.0011125800000000, -0.0035414500000000, 0.0024678800000000 ] - [ 0.0009222900000000, 0.0013013300000000, -0.0022972800000000 ] - [ 0.0047309600000000, 0.0051664000000000, 0.0230540200000000 ] - [ 0.0007840800000000, 0.0008896100000000, -0.0077517600000000 ] - [ -0.0008111600000000, -0.0024530500000000, 0.0211980800000000 ] - [ -0.0011350500000000, -0.0004477700000000, -0.0079929200000000 ] - [ 0.0001437300000000, -0.0009396200000000, 0.0022294700000000 ] - [ -0.0000555200000000, 0.0003346200000000, -0.0015450100000000 ] - [ -0.0000151300000000, 0.0001348300000000, 0.0013914000000000 ] - [ 0.0000379700000000, -0.0003531400000000, -0.0013479700000000 ] - [ 0.0006035500000000, 0.0004620500000000, 0.0020115100000000 ] - [ -0.0003080000000000, -0.0004795400000000, -0.0012196200000000 ] - [ -0.0024912500000000, 0.0033975200000000, 0.0033185500000000 ] - [ 0.0005779300000000, -0.0016596700000000, -0.0038977400000000 ] - [ 0.0000000000000000, 0.0025665200000000, 0.0023758500000000 ] - [ 0.0000000000000000, -0.0017167100000000, -0.0022212800000000 ] - [ 0.0000000000000000, 0.0000222600000000, 0.0015916100000000 ] - [ 0.0000000000000000, 0.0002866300000000, -0.0013275500000000 ] - [ 0.0000000000000000, -0.0008441700000000, 0.0035285100000000 ] - [ 0.0000000000000000, 0.0021442300000000, -0.0038768500000000 ] - [ 0.0000000000000000, -0.0009633500000000, 0.0037063900000000 ] - [ 0.0000000000000000, 0.0009098600000000, -0.0034362100000000 ] - [ -0.0006035500000000, 0.0004620500000000, 0.0020115100000000 ] - [ 0.0003080000000000, -0.0004795400000000, -0.0012196200000000 ] - [ 0.0024912500000000, 0.0033975200000000, 0.0033185500000000 ] - [ -0.0005779300000000, -0.0016596700000000, -0.0038977400000000 ] - [ 0.0000151300000000, 0.0001348300000000, 0.0013914000000000 ] - [ -0.0000379700000000, -0.0003531400000000, -0.0013479700000000 ] - [ -0.0001437300000000, -0.0009396200000000, 0.0022294700000000 ] - [ 0.0000555200000000, 0.0003346200000000, -0.0015450100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015121600000000, -0.0033967500000000, 0.0198185800000000 ] - [ -0.0001465300000000, 0.0001159000000000, -0.0064806900000000 ] - [ 0.0116714800000000, 0.0045072400000000, -0.0116704300000000 ] - [ -0.0152446600000000, 0.0000625100000000, -0.0118958900000000 ] - [ 0.0000000000000000, 0.0114488700000000, 0.1486922100000000 ] - [ 0.0000000000000000, -0.0003838500000000, -0.0115696100000000 ] - [ 0.0000000000000000, -0.0198299500000000, -0.0189479900000000 ] - [ 0.0000000000000000, 0.0183887700000000, -0.0190827400000000 ] - [ -0.0116714800000000, 0.0045072400000000, -0.0116704300000000 ] - [ 0.0152446600000000, 0.0000625100000000, -0.0118958900000000 ] - [ -0.0015121600000000, -0.0033967500000000, 0.0198185800000000 ] - [ 0.0001465300000000, 0.0001159000000000, -0.0064806900000000 ] - [ -0.0027339800000000, 0.0006628600000000, 0.0152071000000000 ] - [ -0.0002386700000000, -0.0004037200000000, -0.0056100700000000 ] - [ -0.0014260900000000, -0.0004499400000000, -0.0007286900000000 ] - [ 0.0012326000000000, 0.0000089600000000, -0.0007594800000000 ] - [ 0.0000000000000000, -0.0000028800000000, 0.0028939500000000 ] - [ 0.0000000000000000, -0.0001995300000000, -0.0024621500000000 ] - [ 0.0000000000000000, 0.0028167800000000, -0.0011516500000000 ] - [ 0.0000000000000000, -0.0029624100000000, -0.0011397900000000 ] - [ 0.0014260900000000, -0.0004499400000000, -0.0007286900000000 ] - [ -0.0012326000000000, 0.0000089600000000, -0.0007594800000000 ] - [ 0.0027339800000000, 0.0006628600000000, 0.0152071000000000 ] - [ 0.0002386700000000, -0.0004037200000000, -0.0056100700000000 ] - [ 0.0000000000000000, -0.0211614300000000, -0.0159377100000000 ] - [ 0.0000000000000000, 0.0065728400000000, -0.0115945200000000 ] - [ 0.0000000000000000, -0.0003412900000000, 0.0051084200000000 ] - [ 0.0000000000000000, 0.0005284700000000, -0.0032656100000000 ] - [ 0.0000000000000000, 0.0021607000000000, -0.0009031800000000 ] - [ 0.0000000000000000, -0.0021733400000000, 0.0000061800000000 ] - [ 0.0000000000000000, 0.0006751600000000, 0.0080139400000000 ] - [ 0.0000000000000000, -0.0000195700000000, -0.0049181200000000 ] - [ -0.0014257900000000, 0.0030982300000000, -0.0216560700000000 ] - [ -0.0012191200000000, 0.0006226500000000, 0.0079266100000000 ] - [ 0.0039150900000000, -0.0048113800000000, -0.0223873700000000 ] - [ 0.0007091200000000, -0.0010819200000000, 0.0077115700000000 ] - [ 0.0037836600000000, 0.0053503900000000, -0.0100899300000000 ] - [ -0.0003830600000000, -0.0019037000000000, 0.0057017400000000 ] - [ -0.0012207100000000, 0.0036350200000000, -0.0024002100000000 ] - [ 0.0008056800000000, -0.0011991600000000, 0.0023414800000000 ] - [ 0.0000000000000000, 0.0057757100000000, -0.0013463900000000 ] - [ 0.0000000000000000, -0.0016812400000000, 0.0027897800000000 ] - [ 0.0000000000000000, -0.0045994100000000, -0.0121000300000000 ] - [ 0.0000000000000000, 0.0015782200000000, 0.0070911600000000 ] - [ 0.0000000000000000, -0.0026088900000000, -0.0020101100000000 ] - [ 0.0000000000000000, 0.0020006800000000, 0.0027196500000000 ] - [ 0.0000000000000000, -0.0013257400000000, -0.0017305600000000 ] - [ 0.0000000000000000, -0.0001102600000000, 0.0017357300000000 ] - [ -0.0037836600000000, 0.0053503900000000, -0.0100899300000000 ] - [ 0.0003830600000000, -0.0019037000000000, 0.0057017400000000 ] - [ 0.0012207100000000, 0.0036350200000000, -0.0024002100000000 ] - [ -0.0008056800000000, -0.0011991600000000, 0.0023414800000000 ] - [ -0.0039150900000000, -0.0048113800000000, -0.0223873700000000 ] - [ -0.0007091200000000, -0.0010819200000000, 0.0077115700000000 ] - [ 0.0014257900000000, 0.0030982300000000, -0.0216560700000000 ] - [ 0.0012191200000000, 0.0006226500000000, 0.0079266100000000 ] - [ -0.0002405000000000, 0.0011108700000000, -0.0022638800000000 ] - [ -0.0000477400000000, -0.0001523500000000, 0.0015085600000000 ] - [ -0.0000858200000000, -0.0003159800000000, -0.0014199600000000 ] - [ -0.0001411400000000, 0.0001731400000000, 0.0013032600000000 ] - [ -0.0007155800000000, -0.0005599200000000, -0.0019566200000000 ] - [ 0.0001904400000000, 0.0003648300000000, 0.0012757000000000 ] - [ 0.0023718400000000, -0.0032774300000000, -0.0032409100000000 ] - [ -0.0006935700000000, 0.0017695800000000, 0.0039326500000000 ] - [ 0.0000000000000000, -0.0023181400000000, -0.0021447600000000 ] - [ 0.0000000000000000, 0.0019603200000000, 0.0024546500000000 ] - [ 0.0000000000000000, 0.0000246200000000, -0.0015342000000000 ] - [ 0.0000000000000000, -0.0002462000000000, 0.0013676200000000 ] - [ 0.0000000000000000, 0.0008004500000000, -0.0034767900000000 ] - [ 0.0000000000000000, -0.0021778100000000, 0.0039187900000000 ] - [ 0.0000000000000000, 0.0007057900000000, -0.0034629500000000 ] - [ 0.0000000000000000, -0.0011552900000000, 0.0036526900000000 ] - [ 0.0007155800000000, -0.0005599200000000, -0.0019566200000000 ] - [ -0.0001904400000000, 0.0003648300000000, 0.0012757000000000 ] - [ -0.0023718400000000, -0.0032774300000000, -0.0032409100000000 ] - [ 0.0006935700000000, 0.0017695800000000, 0.0039326500000000 ] - [ 0.0000858200000000, -0.0003159800000000, -0.0014199600000000 ] - [ 0.0001411400000000, 0.0001731400000000, 0.0013032600000000 ] - [ 0.0002405000000000, 0.0011108700000000, -0.0022638800000000 ] - [ 0.0000477400000000, -0.0001523500000000, 0.0015085600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013122800000000, -0.0011912700000000, -0.0013371800000000 ] - [ 0.0008994300000000, -0.0008533000000000, 0.0007460300000000 ] - [ 0.0002029400000000, -0.0004958900000000, -0.0006609100000000 ] - [ 0.0160424400000000, -0.0154750700000000, 0.0056084400000000 ] - [ -0.0199948200000000, -0.0000467400000000, -0.0000956200000000 ] - [ -0.0023331800000000, -0.0000101200000000, -0.0000341000000000 ] - [ -0.0006488300000000, -0.0000078900000000, -0.0000499600000000 ] - [ -0.0039401300000000, -0.0000127100000000, -0.0000449600000000 ] - [ 0.0001690900000000, 0.0007559900000000, 0.0005596800000000 ] - [ 0.0160567200000000, 0.0158542100000000, -0.0056368400000000 ] - [ 0.0012790600000000, 0.0009203700000000, 0.0012483400000000 ] - [ 0.0008657400000000, 0.0005939800000000, -0.0008373200000000 ] - [ 0.0047585200000000, -0.0134994500000000, 0.0186531600000000 ] - [ 0.0002469600000000, -0.0031823600000000, -0.0097641500000000 ] - [ -0.0006768200000000, -0.0002952400000000, 0.0003641000000000 ] - [ -0.0010081600000000, -0.0052952400000000, 0.0001965900000000 ] - [ 0.0031629800000000, -0.0000054100000000, -0.0000370600000000 ] - [ 0.0015884500000000, -0.0000012800000000, -0.0000593000000000 ] - [ 0.0021571000000000, -0.0000016600000000, -0.0000535500000000 ] - [ 0.0116555800000000, -0.0000178700000000, -0.0000451100000000 ] - [ -0.0006881700000000, 0.0005498700000000, -0.0004545400000000 ] - [ -0.0009730800000000, 0.0055176000000000, -0.0002899600000000 ] - [ 0.0047835100000000, 0.0132472600000000, -0.0186272600000000 ] - [ 0.0003043600000000, 0.0029075800000000, 0.0096037800000000 ] - [ -0.2287055800000000, -0.0028162400000000, -0.0032040700000000 ] - [ -0.0002673100000000, -0.0001069400000000, -0.0000168800000000 ] - [ -0.0003023800000000, 0.0001116200000000, -0.0000204000000000 ] - [ -0.0003023500000000, 0.0001119300000000, -0.0000164300000000 ] - [ 0.0007955400000000, -0.0001098900000000, -0.0000171400000000 ] - [ 0.0002567800000000, -0.0001091700000000, -0.0000172000000000 ] - [ 0.0046933600000000, 0.0001103700000000, -0.0000151100000000 ] - [ 0.0046937300000000, 0.0001288700000000, -0.0000339700000000 ] - [ 0.0017240900000000, 0.0057388400000000, 0.0014798500000000 ] - [ 0.0001694100000000, 0.0002277000000000, -0.0003930300000000 ] - [ 0.0013488800000000, -0.0001970400000000, -0.0001969300000000 ] - [ 0.0014382700000000, 0.0025306900000000, -0.0023614800000000 ] - [ 0.0802715400000000, -0.0308350000000000, -0.0349238400000000 ] - [ 0.0005978100000000, 0.0000082800000000, 0.0000953600000000 ] - [ 0.0002286800000000, 0.0001840200000000, 0.0001657000000000 ] - [ 0.0002626500000000, 0.0002863700000000, -0.0000442100000000 ] - [ 0.0261657700000000, 0.0004582700000000, 0.0000035100000000 ] - [ 0.0004828900000000, 0.0001235600000000, 0.0001141400000000 ] - [ 0.0041440900000000, 0.0000197600000000, 0.0000268500000000 ] - [ 0.0222803000000000, -0.0000069500000000, 0.0003832100000000 ] - [ 0.0004494700000000, -0.0000279900000000, 0.0000242800000000 ] - [ 0.0002799300000000, -0.0000223200000000, 0.0000239500000000 ] - [ 0.0015826200000000, -0.0001285500000000, 0.0001226500000000 ] - [ 0.0016386200000000, -0.0001382800000000, 0.0001056700000000 ] - [ 0.0838815400000000, 0.0331321300000000, 0.0378366400000000 ] - [ 0.0007263300000000, -0.0001171600000000, -0.0000460800000000 ] - [ 0.0003468100000000, -0.0000734800000000, -0.0001125900000000 ] - [ 0.0003835000000000, -0.0001774500000000, 0.0000962100000000 ] - [ 0.0014526100000000, 0.0000232500000000, 0.0001656700000000 ] - [ 0.0015560400000000, -0.0027098000000000, 0.0023237800000000 ] - [ 0.0018307800000000, -0.0055500000000000, -0.0015299900000000 ] - [ 0.0002786800000000, -0.0000435000000000, 0.0003546600000000 ] - [ -0.0035225300000000, 0.0041884600000000, -0.0005226700000000 ] - [ -0.0003703600000000, 0.0001674900000000, 0.0000787800000000 ] - [ -0.0022051000000000, 0.0016745600000000, -0.0017127800000000 ] - [ -0.0019090400000000, 0.0016590800000000, 0.0010696500000000 ] - [ -0.0005875000000000, 0.0002851100000000, 0.0000405100000000 ] - [ -0.0002556600000000, -0.0001216800000000, 0.0000549100000000 ] - [ -0.0025186800000000, -0.0001744900000000, -0.0024847400000000 ] - [ -0.0054839100000000, -0.0001014400000000, 0.0047926200000000 ] - [ -0.0027231900000000, 0.0001246400000000, 0.0001124400000000 ] - [ -0.0002934900000000, 0.0001255900000000, 0.0001161700000000 ] - [ -0.0005228400000000, 0.0000259300000000, 0.0000244600000000 ] - [ -0.0004465900000000, 0.0000241600000000, 0.0000261700000000 ] - [ -0.0073398900000000, -0.0000329400000000, 0.0000100800000000 ] - [ -0.0010862900000000, -0.0000255800000000, 0.0000398400000000 ] - [ -0.0009587900000000, -0.0001244400000000, 0.0001150700000000 ] - [ -0.0033945200000000, -0.0001378000000000, 0.0001129700000000 ] - [ -0.0004773500000000, -0.0003845400000000, 0.0000142100000000 ] - [ -0.0001427300000000, 0.0000170400000000, 0.0000001100000000 ] - [ -0.0024155000000000, 0.0002742200000000, 0.0025518400000000 ] - [ -0.0053355200000000, 0.0001851600000000, -0.0046838100000000 ] - [ -0.0021085800000000, -0.0018562700000000, 0.0016643400000000 ] - [ -0.0018126600000000, -0.0018119900000000, -0.0010890600000000 ] - [ -0.0034177500000000, -0.0039703100000000, 0.0004556600000000 ] - [ -0.0002766100000000, 0.0000087900000000, -0.0001118300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010222100000000, 0.0037347900000000, 0.0008596000000000 ] - [ -0.0004082200000000, 0.0033687000000000, -0.0008923800000000 ] - [ -0.0003457400000000, -0.0003681700000000, 0.0004438000000000 ] - [ -0.0117628800000000, 0.0080686000000000, -0.0030843800000000 ] - [ 0.0000000000000000, 0.0153319400000000, 0.0210232600000000 ] - [ 0.0000000000000000, 0.0010799500000000, -0.0067994000000000 ] - [ 0.0000000000000000, 0.0025543700000000, 0.0003662100000000 ] - [ 0.0000000000000000, 0.0086364200000000, -0.0004898400000000 ] - [ 0.0003457400000000, -0.0003681700000000, 0.0004438000000000 ] - [ 0.0117628800000000, 0.0080686000000000, -0.0030843800000000 ] - [ 0.0010222100000000, 0.0037347900000000, 0.0008596000000000 ] - [ 0.0004082200000000, 0.0033687000000000, -0.0008923800000000 ] - [ -0.0096233000000000, -0.0137376200000000, -0.0106536700000000 ] - [ -0.0022282100000000, -0.0061880300000000, 0.0054784400000000 ] - [ -0.0011304400000000, 0.0006773000000000, -0.0006433800000000 ] - [ -0.0112669700000000, 0.0144055000000000, 0.0029552600000000 ] - [ 0.0000000000000000, 0.0018969700000000, -0.0023161500000000 ] - [ 0.0000000000000000, 0.0013220800000000, 0.0020129000000000 ] - [ 0.0000000000000000, -0.0019957700000000, -0.0001761700000000 ] - [ 0.0000000000000000, -0.0070206300000000, 0.0005159600000000 ] - [ 0.0011304400000000, 0.0006773000000000, -0.0006433800000000 ] - [ 0.0112669700000000, 0.0144055000000000, 0.0029552600000000 ] - [ 0.0096233000000000, -0.0137376200000000, -0.0106536700000000 ] - [ 0.0022282100000000, -0.0061880300000000, 0.0054784400000000 ] - [ 0.0000000000000000, -0.2348736700000000, 0.0007600300000000 ] - [ 0.0000000000000000, -0.0014334700000000, 0.0000070900000000 ] - [ 0.0000000000000000, 0.0042980800000000, -0.0032170700000000 ] - [ 0.0000000000000000, 0.0042664700000000, 0.0012084400000000 ] - [ 0.0000000000000000, 0.0029643000000000, 0.0004780500000000 ] - [ 0.0000000000000000, 0.0009015400000000, 0.0000936200000000 ] - [ 0.0000000000000000, -0.0003247000000000, 0.0028585500000000 ] - [ 0.0000000000000000, -0.0003277000000000, -0.0007845600000000 ] - [ 0.0014226800000000, -0.0042994400000000, -0.0011159000000000 ] - [ -0.0000272500000000, -0.0005328900000000, 0.0004111500000000 ] - [ 0.0012835800000000, -0.0015367000000000, -0.0019105300000000 ] - [ 0.0008242200000000, -0.0040539000000000, 0.0029332900000000 ] - [ -0.0332510900000000, 0.0423091500000000, 0.0190785000000000 ] - [ 0.0000475300000000, 0.0009458900000000, 0.0000619500000000 ] - [ -0.0007221800000000, -0.0017603300000000, 0.0004007500000000 ] - [ -0.0004730600000000, -0.0039189900000000, -0.0009060600000000 ] - [ 0.0000000000000000, 0.1049807400000000, -0.0303190800000000 ] - [ 0.0000000000000000, 0.0018396700000000, -0.0000716800000000 ] - [ 0.0000000000000000, 0.0037987100000000, -0.0014338800000000 ] - [ 0.0000000000000000, 0.0254153800000000, -0.0132415100000000 ] - [ 0.0000000000000000, -0.0062965600000000, 0.0006962300000000 ] - [ 0.0000000000000000, -0.0014945900000000, -0.0011616100000000 ] - [ 0.0000000000000000, -0.0016549100000000, 0.0054611400000000 ] - [ 0.0000000000000000, -0.0033096400000000, -0.0072328600000000 ] - [ 0.0332510900000000, 0.0423091500000000, 0.0190785000000000 ] - [ -0.0000475300000000, 0.0009458900000000, 0.0000619500000000 ] - [ 0.0007221800000000, -0.0017603300000000, 0.0004007500000000 ] - [ 0.0004730600000000, -0.0039189900000000, -0.0009060600000000 ] - [ -0.0012835800000000, -0.0015367000000000, -0.0019105300000000 ] - [ -0.0008242200000000, -0.0040539000000000, 0.0029332900000000 ] - [ -0.0014226800000000, -0.0042994400000000, -0.0011159000000000 ] - [ 0.0000272500000000, -0.0005328900000000, 0.0004111500000000 ] - [ 0.0045171300000000, 0.0019923700000000, 0.0015220900000000 ] - [ -0.0001141200000000, 0.0010390300000000, -0.0000588400000000 ] - [ -0.0001250600000000, 0.0003043200000000, 0.0008893000000000 ] - [ 0.0024982700000000, 0.0010506800000000, -0.0025480600000000 ] - [ 0.0012825500000000, -0.0032439300000000, 0.0013832700000000 ] - [ 0.0001414000000000, -0.0012637300000000, 0.0001508200000000 ] - [ 0.0004223200000000, 0.0026079900000000, -0.0008546500000000 ] - [ -0.0009453500000000, 0.0027834700000000, 0.0017561800000000 ] - [ 0.0000000000000000, -0.0025319200000000, -0.0006250400000000 ] - [ 0.0000000000000000, -0.0005751900000000, 0.0002609300000000 ] - [ 0.0000000000000000, -0.0015077600000000, 0.0001343900000000 ] - [ 0.0000000000000000, -0.0015714400000000, -0.0003846700000000 ] - [ 0.0000000000000000, 0.0011596000000000, -0.0005336300000000 ] - [ 0.0000000000000000, 0.0005447100000000, 0.0005251200000000 ] - [ 0.0000000000000000, -0.0001714100000000, -0.0004441500000000 ] - [ 0.0000000000000000, -0.0006697100000000, 0.0015163100000000 ] - [ -0.0012825500000000, -0.0032439300000000, 0.0013832700000000 ] - [ -0.0001414000000000, -0.0012637300000000, 0.0001508200000000 ] - [ -0.0004223200000000, 0.0026079900000000, -0.0008546500000000 ] - [ 0.0009453500000000, 0.0027834700000000, 0.0017561800000000 ] - [ 0.0001250600000000, 0.0003043200000000, 0.0008893000000000 ] - [ -0.0024982700000000, 0.0010506800000000, -0.0025480600000000 ] - [ -0.0045171300000000, 0.0019923700000000, 0.0015220900000000 ] - [ 0.0001141200000000, 0.0010390300000000, -0.0000588400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010415300000000, -0.0039929300000000, -0.0009377900000000 ] - [ 0.0004182500000000, -0.0036237500000000, 0.0007864400000000 ] - [ 0.0003674200000000, 0.0006085300000000, -0.0005360800000000 ] - [ 0.0116818200000000, -0.0078470100000000, 0.0030168800000000 ] - [ 0.0000000000000000, -0.0152505000000000, -0.0208738100000000 ] - [ 0.0000000000000000, -0.0011206700000000, 0.0066534200000000 ] - [ 0.0000000000000000, -0.0025682200000000, -0.0004699800000000 ] - [ 0.0000000000000000, -0.0085993700000000, 0.0004052100000000 ] - [ -0.0003674200000000, 0.0006085300000000, -0.0005360800000000 ] - [ -0.0116818200000000, -0.0078470100000000, 0.0030168800000000 ] - [ -0.0010415300000000, -0.0039929300000000, -0.0009377900000000 ] - [ -0.0004182500000000, -0.0036237500000000, 0.0007864400000000 ] - [ 0.0096145800000000, 0.0135615900000000, 0.0105352800000000 ] - [ 0.0022393300000000, 0.0060117000000000, -0.0055529200000000 ] - [ 0.0011534800000000, -0.0004062900000000, 0.0005436100000000 ] - [ 0.0113403800000000, -0.0142319900000000, -0.0029996100000000 ] - [ 0.0000000000000000, -0.0018794800000000, 0.0022297500000000 ] - [ 0.0000000000000000, -0.0013020700000000, -0.0021208800000000 ] - [ 0.0000000000000000, 0.0019915300000000, 0.0000754900000000 ] - [ 0.0000000000000000, 0.0070441700000000, -0.0006162900000000 ] - [ -0.0011534800000000, -0.0004062900000000, 0.0005436100000000 ] - [ -0.0113403800000000, -0.0142319900000000, -0.0029996100000000 ] - [ -0.0096145800000000, 0.0135615900000000, 0.0105352800000000 ] - [ -0.0022393300000000, 0.0060117000000000, -0.0055529200000000 ] - [ 0.0000000000000000, 0.2415477200000000, -0.0061667300000000 ] - [ 0.0000000000000000, 0.0012209900000000, -0.0000410900000000 ] - [ 0.0000000000000000, -0.0040545100000000, 0.0031701500000000 ] - [ 0.0000000000000000, -0.0040867000000000, -0.0012594600000000 ] - [ 0.0000000000000000, -0.0031819300000000, -0.0005129400000000 ] - [ 0.0000000000000000, -0.0011184300000000, -0.0001279200000000 ] - [ 0.0000000000000000, 0.0005311900000000, -0.0029051500000000 ] - [ 0.0000000000000000, 0.0005281500000000, 0.0007550000000000 ] - [ -0.0015004600000000, 0.0044708100000000, 0.0010615800000000 ] - [ -0.0000757900000000, 0.0007197400000000, -0.0004395700000000 ] - [ -0.0013832700000000, 0.0013633300000000, 0.0018692800000000 ] - [ -0.0008956700000000, 0.0038547200000000, -0.0029455400000000 ] - [ 0.0322342700000000, -0.0423481700000000, -0.0183991400000000 ] - [ -0.0001697600000000, -0.0010461700000000, -0.0000178000000000 ] - [ 0.0006040400000000, 0.0018627700000000, -0.0003482200000000 ] - [ 0.0003650100000000, 0.0040322600000000, 0.0009574300000000 ] - [ 0.0000000000000000, -0.1116399800000000, 0.0337972400000000 ] - [ 0.0000000000000000, -0.0016018600000000, 0.0003066200000000 ] - [ 0.0000000000000000, -0.0037526500000000, 0.0014957500000000 ] - [ 0.0000000000000000, -0.0256078000000000, 0.0138163800000000 ] - [ 0.0000000000000000, 0.0062010200000000, -0.0006654100000000 ] - [ 0.0000000000000000, 0.0014538800000000, 0.0012303800000000 ] - [ 0.0000000000000000, 0.0013958100000000, -0.0052038000000000 ] - [ 0.0000000000000000, 0.0031141600000000, 0.0075399900000000 ] - [ -0.0322342700000000, -0.0423481700000000, -0.0183991400000000 ] - [ 0.0001697600000000, -0.0010461700000000, -0.0000178000000000 ] - [ -0.0006040400000000, 0.0018627700000000, -0.0003482200000000 ] - [ -0.0003650100000000, 0.0040322600000000, 0.0009574300000000 ] - [ 0.0013832700000000, 0.0013633300000000, 0.0018692800000000 ] - [ 0.0008956700000000, 0.0038547200000000, -0.0029455400000000 ] - [ 0.0015004600000000, 0.0044708100000000, 0.0010615800000000 ] - [ 0.0000757900000000, 0.0007197400000000, -0.0004395700000000 ] - [ -0.0046335800000000, -0.0018221100000000, -0.0015715500000000 ] - [ 0.0000180900000000, -0.0008701600000000, 0.0000187800000000 ] - [ 0.0000278500000000, -0.0004907200000000, -0.0009274100000000 ] - [ -0.0026109900000000, -0.0012410400000000, 0.0025192200000000 ] - [ -0.0014026400000000, 0.0031366600000000, -0.0013362300000000 ] - [ -0.0002573200000000, 0.0011495600000000, -0.0000922000000000 ] - [ -0.0005315000000000, -0.0025024500000000, 0.0009217500000000 ] - [ 0.0008462100000000, -0.0026652200000000, -0.0017124900000000 ] - [ 0.0000000000000000, 0.0027912900000000, 0.0008563400000000 ] - [ 0.0000000000000000, 0.0008316100000000, -0.0000267500000000 ] - [ 0.0000000000000000, 0.0015498800000000, -0.0000867800000000 ] - [ 0.0000000000000000, 0.0016140600000000, 0.0004353900000000 ] - [ 0.0000000000000000, -0.0011962400000000, 0.0005752300000000 ] - [ 0.0000000000000000, -0.0005834100000000, -0.0004775600000000 ] - [ 0.0000000000000000, -0.0000706100000000, 0.0006747400000000 ] - [ 0.0000000000000000, 0.0004316800000000, -0.0012899800000000 ] - [ 0.0014026400000000, 0.0031366600000000, -0.0013362300000000 ] - [ 0.0002573200000000, 0.0011495600000000, -0.0000922000000000 ] - [ 0.0005315000000000, -0.0025024500000000, 0.0009217500000000 ] - [ -0.0008462100000000, -0.0026652200000000, -0.0017124900000000 ] - [ -0.0000278500000000, -0.0004907200000000, -0.0009274100000000 ] - [ 0.0026109900000000, -0.0012410400000000, 0.0025192200000000 ] - [ 0.0046335800000000, -0.0018221100000000, -0.0015715500000000 ] - [ -0.0000180900000000, -0.0008701600000000, 0.0000187800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005750900000000, 0.0008813500000000, 0.0011727400000000 ] - [ 0.0010285500000000, -0.0007497400000000, -0.0002517800000000 ] - [ 0.0009566000000000, -0.0005066400000000, 0.0041383700000000 ] - [ -0.0005472400000000, 0.0020813500000000, -0.0118820600000000 ] - [ 0.0000000000000000, 0.0199476400000000, 0.0158709800000000 ] - [ 0.0000000000000000, -0.0166867100000000, 0.0115258800000000 ] - [ 0.0000000000000000, -0.0000187700000000, 0.0032025800000000 ] - [ 0.0000000000000000, -0.0003282100000000, -0.0051749000000000 ] - [ -0.0009566000000000, -0.0005066400000000, 0.0041383700000000 ] - [ 0.0005472400000000, 0.0020813500000000, -0.0118820600000000 ] - [ 0.0005750900000000, 0.0008813500000000, 0.0011727400000000 ] - [ -0.0010285500000000, -0.0007497400000000, -0.0002517800000000 ] - [ 0.0159732200000000, -0.0112541400000000, 0.0195073200000000 ] - [ -0.0179729500000000, 0.0123530100000000, 0.0161596700000000 ] - [ 0.0000602700000000, 0.0009368900000000, 0.0037547000000000 ] - [ 0.0016922200000000, -0.0004739500000000, -0.0072283600000000 ] - [ 0.0000000000000000, -0.0009953500000000, 0.0008355900000000 ] - [ 0.0000000000000000, 0.0018184500000000, -0.0000746800000000 ] - [ 0.0000000000000000, -0.0009223600000000, 0.0048575500000000 ] - [ 0.0000000000000000, 0.0001005400000000, -0.0080806700000000 ] - [ -0.0000602700000000, 0.0009368900000000, 0.0037547000000000 ] - [ -0.0016922200000000, -0.0004739500000000, -0.0072283600000000 ] - [ -0.0159732200000000, -0.0112541400000000, 0.0195073200000000 ] - [ 0.0179729500000000, 0.0123530100000000, 0.0161596700000000 ] - [ 0.0000000000000000, 0.0022520900000000, -0.3126282900000000 ] - [ 0.0000000000000000, -0.0000834500000000, 0.0076274700000000 ] - [ 0.0000000000000000, -0.0011279700000000, 0.0008878100000000 ] - [ 0.0000000000000000, 0.0032891400000000, 0.0008938700000000 ] - [ 0.0000000000000000, 0.0003861900000000, -0.0019304800000000 ] - [ 0.0000000000000000, 0.0000012300000000, 0.0016067500000000 ] - [ 0.0000000000000000, 0.0008797700000000, 0.0017210500000000 ] - [ 0.0000000000000000, -0.0027671300000000, 0.0017295100000000 ] - [ 0.0007614400000000, -0.0036948900000000, 0.0012293500000000 ] - [ -0.0019190700000000, 0.0018310300000000, -0.0022644600000000 ] - [ 0.0014388500000000, -0.0012903600000000, -0.0030305600000000 ] - [ -0.0033068700000000, 0.0034338400000000, 0.0031098800000000 ] - [ -0.0370818200000000, 0.0193993700000000, 0.0481293900000000 ] - [ -0.0015477500000000, 0.0013393400000000, -0.0059009000000000 ] - [ -0.0000590300000000, -0.0000170000000000, -0.0010720700000000 ] - [ -0.0006209700000000, -0.0005273400000000, 0.0013729700000000 ] - [ 0.0000000000000000, -0.0305600900000000, 0.0370149200000000 ] - [ 0.0000000000000000, -0.0014853600000000, -0.0041211600000000 ] - [ 0.0000000000000000, 0.0002321100000000, -0.0079571100000000 ] - [ 0.0000000000000000, -0.0146353400000000, 0.1244033700000000 ] - [ 0.0000000000000000, 0.0018030700000000, 0.0006311400000000 ] - [ 0.0000000000000000, -0.0006947900000000, -0.0012629000000000 ] - [ 0.0000000000000000, 0.0016677000000000, -0.0020953800000000 ] - [ 0.0000000000000000, -0.0085130000000000, 0.0017286100000000 ] - [ 0.0370818200000000, 0.0193993700000000, 0.0481293900000000 ] - [ 0.0015477500000000, 0.0013393400000000, -0.0059009000000000 ] - [ 0.0000590300000000, -0.0000170000000000, -0.0010720700000000 ] - [ 0.0006209700000000, -0.0005273400000000, 0.0013729700000000 ] - [ -0.0014388500000000, -0.0012903600000000, -0.0030305600000000 ] - [ 0.0033068700000000, 0.0034338400000000, 0.0031098800000000 ] - [ -0.0007614400000000, -0.0036948900000000, 0.0012293500000000 ] - [ 0.0019190700000000, 0.0018310300000000, -0.0022644600000000 ] - [ -0.0030405500000000, 0.0023227100000000, 0.0019554500000000 ] - [ 0.0027045600000000, -0.0024416800000000, -0.0044137700000000 ] - [ -0.0012520200000000, 0.0013109700000000, -0.0029539100000000 ] - [ 0.0018879300000000, -0.0027511200000000, 0.0031536200000000 ] - [ -0.0001620000000000, 0.0000151500000000, 0.0004079400000000 ] - [ -0.0001385300000000, -0.0003057800000000, -0.0007478500000000 ] - [ -0.0012974100000000, -0.0007204700000000, -0.0028757500000000 ] - [ 0.0048036100000000, 0.0022181300000000, 0.0026741600000000 ] - [ 0.0000000000000000, -0.0007410600000000, 0.0001423800000000 ] - [ 0.0000000000000000, 0.0000152500000000, -0.0004636300000000 ] - [ 0.0000000000000000, 0.0000406600000000, -0.0011127600000000 ] - [ 0.0000000000000000, -0.0003640200000000, 0.0012146300000000 ] - [ 0.0000000000000000, -0.0002869600000000, 0.0012396800000000 ] - [ 0.0000000000000000, 0.0005401800000000, -0.0017668200000000 ] - [ 0.0000000000000000, -0.0004675300000000, -0.0010599200000000 ] - [ 0.0000000000000000, 0.0009240400000000, 0.0023067300000000 ] - [ 0.0001620000000000, 0.0000151500000000, 0.0004079400000000 ] - [ 0.0001385300000000, -0.0003057800000000, -0.0007478500000000 ] - [ 0.0012974100000000, -0.0007204700000000, -0.0028757500000000 ] - [ -0.0048036100000000, 0.0022181300000000, 0.0026741600000000 ] - [ 0.0012520200000000, 0.0013109700000000, -0.0029539100000000 ] - [ -0.0018879300000000, -0.0027511200000000, 0.0031536200000000 ] - [ 0.0030405500000000, 0.0023227100000000, 0.0019554500000000 ] - [ -0.0027045600000000, -0.0024416800000000, -0.0044137700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005986100000000, -0.0011437400000000, -0.0012711200000000 ] - [ -0.0010060000000000, 0.0004875000000000, 0.0001649000000000 ] - [ -0.0009344200000000, 0.0007674900000000, -0.0042265500000000 ] - [ 0.0006146900000000, -0.0018630600000000, 0.0118318900000000 ] - [ 0.0000000000000000, -0.0197023900000000, -0.0159103900000000 ] - [ 0.0000000000000000, 0.0166969600000000, -0.0116640500000000 ] - [ 0.0000000000000000, 0.0000034900000000, -0.0033008600000000 ] - [ 0.0000000000000000, 0.0003055900000000, 0.0050893700000000 ] - [ 0.0009344200000000, 0.0007674900000000, -0.0042265500000000 ] - [ -0.0006146900000000, -0.0018630600000000, 0.0118318900000000 ] - [ -0.0005986100000000, -0.0011437400000000, -0.0012711200000000 ] - [ 0.0010060000000000, 0.0004875000000000, 0.0001649000000000 ] - [ -0.0157003100000000, 0.0108634600000000, -0.0194373400000000 ] - [ 0.0180547900000000, -0.0126273900000000, -0.0163490700000000 ] - [ -0.0000362400000000, -0.0006863100000000, -0.0038455600000000 ] - [ -0.0016767100000000, 0.0007609200000000, 0.0071623500000000 ] - [ 0.0000000000000000, 0.0010049200000000, -0.0009487200000000 ] - [ 0.0000000000000000, -0.0018126700000000, -0.0000148200000000 ] - [ 0.0000000000000000, 0.0009196200000000, -0.0049586000000000 ] - [ 0.0000000000000000, -0.0001085700000000, 0.0080044300000000 ] - [ 0.0000362400000000, -0.0006863100000000, -0.0038455600000000 ] - [ 0.0016767100000000, 0.0007609200000000, 0.0071623500000000 ] - [ 0.0157003100000000, 0.0108634600000000, -0.0194373400000000 ] - [ -0.0180547900000000, -0.0126273900000000, -0.0163490700000000 ] - [ 0.0000000000000000, -0.0046363400000000, 0.3210827300000000 ] - [ 0.0000000000000000, -0.0001314100000000, -0.0076115800000000 ] - [ 0.0000000000000000, 0.0013394800000000, -0.0009383200000000 ] - [ 0.0000000000000000, -0.0030986400000000, -0.0009324300000000 ] - [ 0.0000000000000000, -0.0006046700000000, 0.0018996800000000 ] - [ 0.0000000000000000, -0.0002203100000000, -0.0016434200000000 ] - [ 0.0000000000000000, -0.0006598600000000, -0.0017787500000000 ] - [ 0.0000000000000000, 0.0029962700000000, -0.0017708900000000 ] - [ -0.0008581900000000, 0.0038813500000000, -0.0012608500000000 ] - [ 0.0018155500000000, -0.0016493100000000, 0.0022237800000000 ] - [ -0.0015363400000000, 0.0011058700000000, 0.0029958900000000 ] - [ 0.0032096000000000, -0.0036174200000000, -0.0031578800000000 ] - [ 0.0355273100000000, -0.0187063700000000, -0.0475926100000000 ] - [ 0.0014184400000000, -0.0014480400000000, 0.0059270500000000 ] - [ -0.0000550900000000, 0.0001301400000000, 0.0011286200000000 ] - [ 0.0005105500000000, 0.0006430000000000, -0.0013268500000000 ] - [ 0.0000000000000000, 0.0301006800000000, -0.0368166800000000 ] - [ 0.0000000000000000, 0.0017311100000000, 0.0043445100000000 ] - [ 0.0000000000000000, -0.0001915200000000, 0.0079403800000000 ] - [ 0.0000000000000000, 0.0160083200000000, -0.1339479100000000 ] - [ 0.0000000000000000, -0.0018657500000000, -0.0005781700000000 ] - [ 0.0000000000000000, 0.0006573900000000, 0.0013176800000000 ] - [ 0.0000000000000000, -0.0019030500000000, 0.0023240900000000 ] - [ 0.0000000000000000, 0.0083256100000000, -0.0014842600000000 ] - [ -0.0355273100000000, -0.0187063700000000, -0.0475926100000000 ] - [ -0.0014184400000000, -0.0014480400000000, 0.0059270500000000 ] - [ 0.0000550900000000, 0.0001301400000000, 0.0011286200000000 ] - [ -0.0005105500000000, 0.0006430000000000, -0.0013268500000000 ] - [ 0.0015363400000000, 0.0011058700000000, 0.0029958900000000 ] - [ -0.0032096000000000, -0.0036174200000000, -0.0031578800000000 ] - [ 0.0008581900000000, 0.0038813500000000, -0.0012608500000000 ] - [ -0.0018155500000000, -0.0016493100000000, 0.0022237800000000 ] - [ 0.0029430900000000, -0.0021460600000000, -0.0019781700000000 ] - [ -0.0028147600000000, 0.0026291900000000, 0.0043829300000000 ] - [ 0.0011440300000000, -0.0014843000000000, 0.0029177800000000 ] - [ -0.0019906800000000, 0.0025726500000000, -0.0032011600000000 ] - [ 0.0000469300000000, -0.0001232600000000, -0.0003537200000000 ] - [ 0.0000211400000000, 0.0002013100000000, 0.0007995800000000 ] - [ 0.0011760600000000, 0.0008214300000000, 0.0029346500000000 ] - [ -0.0049408000000000, -0.0021165900000000, -0.0026295900000000 ] - [ 0.0000000000000000, 0.0009974700000000, 0.0000883200000000 ] - [ 0.0000000000000000, 0.0002373200000000, 0.0006941400000000 ] - [ 0.0000000000000000, 0.0000058000000000, 0.0011670000000000 ] - [ 0.0000000000000000, 0.0004097300000000, -0.0011672400000000 ] - [ 0.0000000000000000, 0.0002414000000000, -0.0011917300000000 ] - [ 0.0000000000000000, -0.0005877900000000, 0.0018195500000000 ] - [ 0.0000000000000000, 0.0002154000000000, 0.0012940500000000 ] - [ 0.0000000000000000, -0.0011784700000000, -0.0020850400000000 ] - [ -0.0000469300000000, -0.0001232600000000, -0.0003537200000000 ] - [ -0.0000211400000000, 0.0002013100000000, 0.0007995800000000 ] - [ -0.0011760600000000, 0.0008214300000000, 0.0029346500000000 ] - [ 0.0049408000000000, -0.0021165900000000, -0.0026295900000000 ] - [ -0.0011440300000000, -0.0014843000000000, 0.0029177800000000 ] - [ 0.0019906800000000, 0.0025726500000000, -0.0032011600000000 ] - [ -0.0029430900000000, -0.0021460600000000, -0.0019781700000000 ] - [ 0.0028147600000000, 0.0026291900000000, 0.0043829300000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0275687900000000, -0.0112240400000000, -0.0173884900000000 ] - [ 0.0015806400000000, 0.0005765700000000, -0.0006970500000000 ] - [ 0.0011188800000000, -0.0004023600000000, 0.0011422200000000 ] - [ 0.0264687700000000, 0.0079675200000000, 0.0066190600000000 ] - [ 0.0226725400000000, -0.0043537800000000, 0.0013682900000000 ] - [ 0.0018544600000000, 0.0008461800000000, 0.0011218900000000 ] - [ 0.0022350000000000, -0.0011240000000000, -0.0007949000000000 ] - [ 0.0206865300000000, 0.0055156500000000, -0.0047874400000000 ] - [ -0.0029495700000000, 0.0008279200000000, -0.0005772400000000 ] - [ -0.0094849200000000, 0.0023968100000000, 0.0018079200000000 ] - [ -0.0105454800000000, -0.0039912500000000, -0.0025499000000000 ] - [ -0.0036813400000000, 0.0000962400000000, 0.0013735500000000 ] - [ -0.0018577200000000, 0.0016472700000000, -0.0003821300000000 ] - [ -0.0004365900000000, -0.0001258700000000, 0.0001070900000000 ] - [ -0.0007794900000000, 0.0000504200000000, 0.0002026900000000 ] - [ -0.0021232400000000, -0.0018280700000000, -0.0007271500000000 ] - [ -0.0015566500000000, 0.0025682700000000, 0.0001440300000000 ] - [ -0.0006627200000000, 0.0000747100000000, -0.0000518400000000 ] - [ -0.0004402500000000, -0.0000992600000000, 0.0000401900000000 ] - [ -0.0015225600000000, -0.0016698700000000, -0.0000144800000000 ] - [ 0.0007654700000000, 0.0008862900000000, 0.0007625000000000 ] - [ 0.0037926700000000, 0.0001367600000000, -0.0010334100000000 ] - [ 0.0021611300000000, 0.0005595900000000, 0.0004902600000000 ] - [ 0.0019872100000000, -0.0011887500000000, -0.0008275200000000 ] - [ 0.0017974900000000, 0.0013526900000000, 0.0007880400000000 ] - [ 0.0002257100000000, -0.0000856300000000, -0.0018877600000000 ] - [ 0.0015042800000000, -0.0007486800000000, -0.0032675100000000 ] - [ 0.0014063300000000, -0.0012261500000000, 0.0014719800000000 ] - [ -0.0034833800000000, 0.0044429800000000, -0.0030028700000000 ] - [ -0.0003245500000000, -0.0001751000000000, 0.0027384600000000 ] - [ -0.0018620300000000, -0.0024356100000000, 0.0019128200000000 ] - [ -0.0021577000000000, 0.0001835300000000, -0.0012103700000000 ] - [ -0.1180188700000000, 0.0040682800000000, 0.0166705400000000 ] - [ -0.0006367100000000, -0.0000141300000000, -0.0003678000000000 ] - [ -0.0104600400000000, 0.0030840300000000, -0.0003183400000000 ] - [ -0.0104620500000000, -0.0028595000000000, 0.0005571100000000 ] - [ -0.0076340000000000, -0.0003393000000000, -0.0021902500000000 ] - [ -0.0007934400000000, -0.0000481400000000, 0.0004518300000000 ] - [ -0.0050684200000000, -0.0024807600000000, -0.0013146500000000 ] - [ -0.0027756400000000, 0.0014239000000000, -0.0013690300000000 ] - [ -0.0006881700000000, 0.0003034200000000, 0.0000231100000000 ] - [ -0.0002531600000000, -0.0000907400000000, 0.0006257100000000 ] - [ -0.0011853500000000, -0.0045637500000000, 0.0030306200000000 ] - [ -0.0007261600000000, -0.0003352500000000, -0.0005133200000000 ] - [ -0.0002445600000000, 0.0051913700000000, 0.0009864600000000 ] - [ -0.0003697600000000, 0.0001691300000000, -0.0009237200000000 ] - [ -0.0004579300000000, -0.0008040300000000, 0.0005614600000000 ] - [ -0.0006378000000000, 0.0007758900000000, 0.0000811000000000 ] - [ 0.0014487800000000, -0.0031389400000000, -0.0017521600000000 ] - [ 0.0002367000000000, -0.0000967300000000, 0.0003584500000000 ] - [ 0.0002308500000000, 0.0007799400000000, 0.0008827500000000 ] - [ 0.0040263200000000, 0.0047756600000000, -0.0041574600000000 ] - [ 0.0033864300000000, 0.0024204500000000, 0.0046598800000000 ] - [ 0.0033852200000000, -0.0031751100000000, -0.0038516200000000 ] - [ 0.0278575200000000, -0.0002333600000000, 0.0009538700000000 ] - [ 0.0000388200000000, 0.0001555800000000, -0.0002704300000000 ] - [ 0.0012837300000000, -0.0000515900000000, 0.0000863100000000 ] - [ 0.0003655300000000, 0.0001174600000000, -0.0001394700000000 ] - [ 0.0009067500000000, -0.0007085600000000, -0.0001622400000000 ] - [ 0.0009049900000000, 0.0005132200000000, -0.0000847600000000 ] - [ 0.0028991300000000, -0.0008181600000000, 0.0000660500000000 ] - [ 0.0007505500000000, -0.0000008600000000, -0.0010583100000000 ] - [ 0.0012660400000000, 0.0003686500000000, -0.0001792300000000 ] - [ 0.0014002500000000, -0.0004543100000000, -0.0005497100000000 ] - [ 0.0176578700000000, -0.0017494600000000, 0.0024494600000000 ] - [ 0.0003720400000000, 0.0000770900000000, -0.0005817600000000 ] - [ 0.0076633800000000, -0.0034319900000000, -0.0031519200000000 ] - [ 0.0007337700000000, -0.0006897100000000, 0.0017641000000000 ] - [ 0.0035672300000000, 0.0024453200000000, -0.0009037700000000 ] - [ 0.0005357300000000, -0.0001297200000000, 0.0007517500000000 ] - [ 0.0033265600000000, 0.0019658600000000, -0.0024344400000000 ] - [ 0.0024033600000000, -0.0008011300000000, 0.0023826000000000 ] - [ 0.0013778200000000, -0.0069346600000000, 0.0020682500000000 ] - [ -0.0002282100000000, -0.0001327800000000, -0.0007319200000000 ] - [ -0.0005034700000000, 0.0008042800000000, -0.0005354200000000 ] - [ 0.0005882000000000, 0.0056574200000000, 0.0055060200000000 ] - [ -0.0003670200000000, -0.0005812900000000, -0.0001916500000000 ] - [ -0.0003674700000000, 0.0007193300000000, -0.0000007500000000 ] - [ -0.0007338500000000, -0.0007595200000000, -0.0001455500000000 ] - [ 0.0000407800000000, 0.0001562500000000, 0.0000713200000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0282011900000000, 0.0116764100000000, 0.0183212100000000 ] - [ -0.0015952800000000, -0.0008052000000000, 0.0005941600000000 ] - [ -0.0011339000000000, 0.0006385400000000, -0.0012217800000000 ] - [ -0.0270548500000000, -0.0084682100000000, -0.0073609700000000 ] - [ -0.0219910200000000, 0.0037117400000000, -0.0008697200000000 ] - [ -0.0018139900000000, -0.0008491700000000, -0.0012320800000000 ] - [ -0.0021982100000000, 0.0011317100000000, 0.0006980600000000 ] - [ -0.0200175600000000, -0.0049758700000000, 0.0038576400000000 ] - [ 0.0029262800000000, -0.0005670800000000, 0.0004750800000000 ] - [ 0.0094645500000000, -0.0020908200000000, -0.0018526400000000 ] - [ 0.0105246000000000, 0.0036969700000000, 0.0023984200000000 ] - [ 0.0036563300000000, -0.0003540200000000, -0.0014478000000000 ] - [ 0.0018833800000000, -0.0018932200000000, 0.0002923400000000 ] - [ 0.0004668400000000, -0.0001312800000000, -0.0001948700000000 ] - [ 0.0008051600000000, 0.0002057000000000, -0.0002947100000000 ] - [ 0.0021601600000000, 0.0020782800000000, 0.0006340300000000 ] - [ 0.0015461700000000, -0.0025625200000000, -0.0002400400000000 ] - [ 0.0006584600000000, -0.0000638100000000, -0.0000439600000000 ] - [ 0.0004357800000000, 0.0000885800000000, -0.0001388100000000 ] - [ 0.0015158400000000, 0.0016704700000000, -0.0000851200000000 ] - [ -0.0007898800000000, -0.0006259700000000, -0.0008523300000000 ] - [ -0.0038202800000000, 0.0001359500000000, 0.0009355800000000 ] - [ -0.0021885400000000, -0.0008320500000000, -0.0005584100000000 ] - [ -0.0020176800000000, 0.0009300900000000, 0.0007387600000000 ] - [ -0.0017569300000000, -0.0015702800000000, -0.0008310800000000 ] - [ -0.0002228400000000, -0.0001339500000000, 0.0018462100000000 ] - [ -0.0014902400000000, 0.0009703700000000, 0.0032495900000000 ] - [ -0.0013963500000000, 0.0014398200000000, -0.0015024200000000 ] - [ 0.0034550400000000, -0.0047079700000000, 0.0029805300000000 ] - [ 0.0003225400000000, -0.0000428100000000, -0.0027810600000000 ] - [ 0.0018583100000000, 0.0026730900000000, -0.0019652200000000 ] - [ 0.0021560100000000, 0.0000302600000000, 0.0011859000000000 ] - [ 0.1176337200000000, -0.0038754600000000, -0.0167746400000000 ] - [ 0.0005336200000000, 0.0001873700000000, 0.0003332700000000 ] - [ 0.0103638600000000, -0.0032510000000000, 0.0001032200000000 ] - [ 0.0103618400000000, 0.0027051700000000, -0.0004074600000000 ] - [ 0.0075049700000000, 0.0003558500000000, 0.0022511700000000 ] - [ 0.0006756300000000, -0.0000526000000000, -0.0003994100000000 ] - [ 0.0049794500000000, 0.0025886400000000, 0.0013592800000000 ] - [ 0.0026444800000000, -0.0013228600000000, 0.0014253600000000 ] - [ 0.0006744600000000, -0.0000455400000000, 0.0002061600000000 ] - [ 0.0002517100000000, 0.0003415000000000, -0.0003946500000000 ] - [ 0.0011718300000000, 0.0045757100000000, -0.0029611400000000 ] - [ 0.0007191000000000, 0.0003844200000000, 0.0005684200000000 ] - [ 0.0002174800000000, -0.0052457700000000, -0.0009303300000000 ] - [ 0.0003666400000000, -0.0002165300000000, 0.0009736800000000 ] - [ 0.0004543900000000, 0.0005524300000000, -0.0003350900000000 ] - [ 0.0006339500000000, -0.0010269900000000, 0.0001498500000000 ] - [ -0.0013475700000000, 0.0030096600000000, 0.0018023000000000 ] - [ -0.0001262600000000, -0.0000087300000000, -0.0003010700000000 ] - [ -0.0001286400000000, -0.0006629600000000, -0.0008235000000000 ] - [ -0.0038902200000000, -0.0046452300000000, 0.0041952800000000 ] - [ -0.0032986600000000, -0.0026032600000000, -0.0046770600000000 ] - [ -0.0032999200000000, 0.0029970100000000, 0.0037932400000000 ] - [ -0.0273674200000000, 0.0004101300000000, -0.0009770000000000 ] - [ 0.0000512800000000, 0.0000236900000000, 0.0002328800000000 ] - [ -0.0013854200000000, 0.0002308000000000, -0.0001234600000000 ] - [ -0.0004668900000000, 0.0000630300000000, 0.0001018100000000 ] - [ -0.0010068400000000, 0.0005278600000000, 0.0001259500000000 ] - [ -0.0010086100000000, -0.0006939000000000, 0.0000479900000000 ] - [ -0.0030121900000000, 0.0007374400000000, -0.0000135000000000 ] - [ -0.0008657500000000, -0.0001070300000000, 0.0011097500000000 ] - [ -0.0013794900000000, -0.0002650400000000, 0.0002360500000000 ] - [ -0.0015155300000000, 0.0005523400000000, 0.0005900100000000 ] - [ -0.0178526700000000, 0.0020352000000000, -0.0022634000000000 ] - [ -0.0003652700000000, 0.0001739600000000, 0.0008147000000000 ] - [ -0.0076650800000000, 0.0034785000000000, 0.0031986800000000 ] - [ -0.0007238400000000, 0.0007385900000000, -0.0017242500000000 ] - [ -0.0035632400000000, -0.0025069700000000, 0.0009548500000000 ] - [ -0.0005285000000000, 0.0000895100000000, -0.0007075700000000 ] - [ -0.0033223000000000, -0.0022245500000000, 0.0026870300000000 ] - [ -0.0023925500000000, 0.0005527500000000, -0.0021663900000000 ] - [ -0.0012251900000000, 0.0068320700000000, -0.0020228200000000 ] - [ 0.0003477800000000, 0.0000196500000000, 0.0007887900000000 ] - [ 0.0006283200000000, -0.0006949200000000, 0.0005898200000000 ] - [ -0.0004753000000000, -0.0055838700000000, -0.0054893200000000 ] - [ 0.0004738600000000, 0.0004049400000000, 0.0001531800000000 ] - [ 0.0004734200000000, -0.0009019200000000, -0.0000339400000000 ] - [ 0.0008426500000000, 0.0009409400000000, 0.0001082800000000 ] - [ 0.0000621900000000, 0.0000222300000000, -0.0001094800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0114924700000000, 0.0194665900000000, 0.0139258300000000 ] - [ 0.0000829000000000, 0.0033743300000000, 0.0005695700000000 ] - [ -0.0006152900000000, 0.0015997400000000, 0.0003305200000000 ] - [ 0.0101973200000000, 0.0244237700000000, 0.0065097600000000 ] - [ -0.0041931000000000, 0.0243299700000000, -0.0025578000000000 ] - [ 0.0016712400000000, 0.0012325800000000, -0.0005902500000000 ] - [ -0.0010371800000000, 0.0031429900000000, -0.0010326300000000 ] - [ 0.0066152400000000, 0.0194949800000000, -0.0052304800000000 ] - [ 0.0008010300000000, 0.0007954600000000, 0.0006456300000000 ] - [ -0.0010752300000000, 0.0037029000000000, -0.0013704300000000 ] - [ 0.0017710400000000, 0.0029969200000000, -0.0007693100000000 ] - [ -0.0012284500000000, 0.0018720300000000, 0.0010438900000000 ] - [ 0.0015054200000000, -0.0034650600000000, 0.0006271100000000 ] - [ 0.0005141600000000, -0.0018625500000000, -0.0004104300000000 ] - [ 0.0000168900000000, -0.0014001700000000, -0.0004115100000000 ] - [ -0.0017088100000000, -0.0038444200000000, 0.0007045300000000 ] - [ 0.0014667600000000, -0.0043796300000000, -0.0010809200000000 ] - [ -0.0001448900000000, -0.0012830700000000, 0.0001964800000000 ] - [ -0.0003525000000000, -0.0014983500000000, 0.0002108900000000 ] - [ -0.0013850700000000, -0.0036263700000000, -0.0002693400000000 ] - [ 0.0005098400000000, -0.0025754500000000, -0.0012242900000000 ] - [ 0.0001887800000000, -0.0070826900000000, 0.0024425900000000 ] - [ -0.0022253100000000, -0.0070824800000000, 0.0034089000000000 ] - [ 0.0005349700000000, -0.0029665900000000, -0.0013358000000000 ] - [ 0.0056215700000000, -0.0044924800000000, -0.0037905200000000 ] - [ 0.0001368700000000, -0.0007372100000000, 0.0017194600000000 ] - [ -0.0026263400000000, -0.0038485100000000, -0.0035569000000000 ] - [ 0.0001077700000000, -0.0013392300000000, 0.0011819600000000 ] - [ 0.0040880800000000, 0.0018194900000000, 0.0022194700000000 ] - [ 0.0000802900000000, 0.0008477500000000, -0.0025517000000000 ] - [ -0.0017323700000000, 0.0012486600000000, 0.0026415400000000 ] - [ -0.0017650100000000, 0.0005050100000000, -0.0014094000000000 ] - [ 0.0040657100000000, -0.0954101400000000, -0.0143552300000000 ] - [ -0.0001516700000000, -0.0007552400000000, 0.0000114800000000 ] - [ 0.0027342400000000, -0.0093804300000000, -0.0039836100000000 ] - [ -0.0032144500000000, -0.0093765300000000, 0.0052177400000000 ] - [ -0.0027605900000000, 0.0237363100000000, 0.0007140600000000 ] - [ -0.0001252800000000, -0.0001769300000000, -0.0000723700000000 ] - [ 0.0018651200000000, 0.0030355800000000, 0.0047319800000000 ] - [ -0.0008859200000000, 0.0007820900000000, -0.0028171800000000 ] - [ -0.0015421500000000, 0.0049482000000000, 0.0004045900000000 ] - [ -0.0000951300000000, 0.0011816100000000, 0.0000359000000000 ] - [ -0.0000138200000000, 0.0034673700000000, -0.0028554700000000 ] - [ -0.0010489300000000, 0.0007749700000000, 0.0022176300000000 ] - [ 0.0038430400000000, 0.0077171800000000, -0.0007340900000000 ] - [ 0.0001434100000000, 0.0001470200000000, -0.0003994700000000 ] - [ 0.0001190600000000, 0.0023173700000000, 0.0004296500000000 ] - [ -0.0000400400000000, 0.0016589000000000, -0.0003288700000000 ] - [ -0.0031636900000000, 0.0011155600000000, 0.0013562900000000 ] - [ -0.0001480400000000, -0.0000769000000000, -0.0003617700000000 ] - [ 0.0007406800000000, -0.0003384600000000, 0.0011685100000000 ] - [ 0.0023356700000000, 0.0025441000000000, -0.0025964900000000 ] - [ -0.0030325400000000, -0.0043920200000000, -0.0028121600000000 ] - [ 0.0025634700000000, -0.0044174000000000, -0.0016762700000000 ] - [ 0.0003222600000000, -0.0074833000000000, 0.0021660000000000 ] - [ -0.0000189900000000, -0.0006788800000000, -0.0007517500000000 ] - [ -0.0001915500000000, 0.0020374800000000, 0.0000240200000000 ] - [ -0.0000235800000000, 0.0008884800000000, 0.0000857000000000 ] - [ -0.0006557900000000, 0.0013851500000000, 0.0001798800000000 ] - [ 0.0005679000000000, 0.0013855200000000, -0.0004095300000000 ] - [ -0.0010082600000000, -0.0003003000000000, 0.0000899600000000 ] - [ -0.0001606000000000, 0.0000266500000000, 0.0004558000000000 ] - [ -0.0002762700000000, 0.0000552300000000, -0.0006776200000000 ] - [ 0.0007341300000000, 0.0001865000000000, 0.0002862600000000 ] - [ -0.0021107400000000, -0.0051745300000000, -0.0018763100000000 ] - [ 0.0000275400000000, -0.0009588200000000, 0.0006091000000000 ] - [ -0.0054531600000000, 0.0035199500000000, 0.0030471000000000 ] - [ -0.0002742700000000, -0.0006725500000000, -0.0012780200000000 ] - [ 0.0035070500000000, 0.0009892600000000, -0.0016334900000000 ] - [ 0.0001760100000000, -0.0001687300000000, 0.0006853300000000 ] - [ -0.0010615700000000, -0.0036012900000000, 0.0002316300000000 ] - [ 0.0024575600000000, -0.0024871600000000, 0.0023714100000000 ] - [ -0.0061210700000000, 0.0082033100000000, -0.0014981400000000 ] - [ -0.0000143700000000, -0.0001500100000000, 0.0007636000000000 ] - [ 0.0010041700000000, 0.0002741500000000, -0.0015332400000000 ] - [ 0.0007632500000000, 0.0048609200000000, 0.0048314700000000 ] - [ 0.0008583700000000, 0.0020791100000000, -0.0003409300000000 ] - [ -0.0004437700000000, 0.0020822100000000, -0.0006591300000000 ] - [ 0.0008962400000000, 0.0040471400000000, 0.0003861700000000 ] - [ -0.0000168100000000, 0.0011833900000000, 0.0003634900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0110116700000000, -0.0195825100000000, -0.0134762800000000 ] - [ -0.0000835800000000, -0.0035991400000000, -0.0006672200000000 ] - [ 0.0006089200000000, -0.0013705800000000, -0.0004104100000000 ] - [ -0.0109628400000000, -0.0247826700000000, -0.0072955300000000 ] - [ 0.0048327200000000, -0.0248552400000000, 0.0029933000000000 ] - [ -0.0016420800000000, -0.0012455200000000, 0.0004802700000000 ] - [ 0.0010600800000000, -0.0031262000000000, 0.0009388900000000 ] - [ -0.0062216200000000, -0.0193114500000000, 0.0047419700000000 ] - [ -0.0008244900000000, -0.0005450400000000, -0.0007398800000000 ] - [ 0.0010656400000000, -0.0034841400000000, 0.0012679500000000 ] - [ -0.0017896400000000, -0.0032344200000000, 0.0007048300000000 ] - [ 0.0012088200000000, -0.0021291100000000, -0.0011342300000000 ] - [ -0.0014898400000000, 0.0032070100000000, -0.0007245800000000 ] - [ -0.0004923600000000, 0.0016011800000000, 0.0003260200000000 ] - [ 0.0000057700000000, 0.0016646300000000, 0.0003174300000000 ] - [ 0.0017185200000000, 0.0041065300000000, -0.0007797700000000 ] - [ -0.0014544200000000, 0.0043938000000000, 0.0009697000000000 ] - [ 0.0001466800000000, 0.0013018900000000, -0.0002904200000000 ] - [ 0.0003540500000000, 0.0014820100000000, -0.0003152600000000 ] - [ 0.0013955500000000, 0.0036140700000000, 0.0001816600000000 ] - [ -0.0005332300000000, 0.0028384600000000, 0.0011267600000000 ] - [ -0.0002100800000000, 0.0073288200000000, -0.0025091000000000 ] - [ 0.0022145800000000, 0.0068482100000000, -0.0035378700000000 ] - [ -0.0005584400000000, 0.0027032100000000, 0.0012569000000000 ] - [ -0.0056674300000000, 0.0042765600000000, 0.0037845200000000 ] - [ -0.0001343000000000, 0.0005149600000000, -0.0017606800000000 ] - [ 0.0026137300000000, 0.0040586200000000, 0.0034941600000000 ] - [ -0.0001132500000000, 0.0015607900000000, -0.0012140100000000 ] - [ -0.0040702300000000, -0.0019968900000000, -0.0022495600000000 ] - [ -0.0000783900000000, -0.0010614700000000, 0.0025193400000000 ] - [ 0.0017379700000000, -0.0010447800000000, -0.0026832600000000 ] - [ 0.0017654200000000, -0.0002887900000000, 0.0013849300000000 ] - [ -0.0038787700000000, 0.0966401200000000, 0.0143624400000000 ] - [ 0.0000498300000000, 0.0009279400000000, -0.0000477000000000 ] - [ -0.0028304600000000, 0.0092366300000000, 0.0037925700000000 ] - [ 0.0031204400000000, 0.0092404800000000, -0.0050946700000000 ] - [ 0.0026686000000000, -0.0242512200000000, -0.0006901300000000 ] - [ 0.0000072700000000, 0.0000793800000000, 0.0001239400000000 ] - [ -0.0019887000000000, -0.0029320300000000, -0.0046548000000000 ] - [ 0.0007707300000000, -0.0006866400000000, 0.0028559300000000 ] - [ 0.0015617000000000, -0.0047150100000000, -0.0001753000000000 ] - [ 0.0000952400000000, -0.0009289700000000, 0.0001946200000000 ] - [ 0.0000183800000000, -0.0034159000000000, 0.0029129000000000 ] - [ 0.0010538400000000, -0.0007230000000000, -0.0021839400000000 ] - [ -0.0037994100000000, -0.0077074800000000, 0.0007710300000000 ] - [ -0.0001416800000000, -0.0001977500000000, 0.0004497600000000 ] - [ -0.0001164000000000, -0.0025719900000000, -0.0001922700000000 ] - [ 0.0000420700000000, -0.0019127600000000, 0.0005523300000000 ] - [ 0.0032956200000000, -0.0012123400000000, -0.0013079900000000 ] - [ 0.0002618200000000, -0.0000241700000000, 0.0004173700000000 ] - [ -0.0006194900000000, 0.0004363400000000, -0.0011124200000000 ] - [ -0.0022307400000000, -0.0024522600000000, 0.0026605000000000 ] - [ 0.0031397900000000, 0.0042424000000000, 0.0027865000000000 ] - [ -0.0024603300000000, 0.0042169900000000, 0.0016361900000000 ] - [ -0.0003212500000000, 0.0076674800000000, -0.0022114200000000 ] - [ 0.0001128800000000, 0.0008574700000000, 0.0007159300000000 ] - [ 0.0000908300000000, -0.0018587600000000, -0.0000614900000000 ] - [ -0.0000780200000000, -0.0007096800000000, -0.0001230900000000 ] - [ 0.0005512500000000, -0.0015654500000000, -0.0002115900000000 ] - [ -0.0006686200000000, -0.0015650900000000, 0.0003660700000000 ] - [ 0.0008884700000000, 0.0001732700000000, -0.0000365600000000 ] - [ 0.0000450800000000, -0.0001399700000000, -0.0004034400000000 ] - [ 0.0001623500000000, 0.0000570000000000, 0.0007346800000000 ] - [ -0.0008506500000000, -0.0000723400000000, -0.0002342800000000 ] - [ 0.0021606300000000, 0.0054103400000000, 0.0021197300000000 ] - [ -0.0000234800000000, 0.0012082100000000, -0.0003802800000000 ] - [ 0.0054652200000000, -0.0034750300000000, -0.0030099900000000 ] - [ 0.0002736500000000, 0.0007077800000000, 0.0013259400000000 ] - [ -0.0035191000000000, -0.0010288900000000, 0.0016909600000000 ] - [ -0.0001704000000000, 0.0001314000000000, -0.0006378200000000 ] - [ 0.0010595800000000, 0.0033465600000000, -0.0000030600000000 ] - [ -0.0024694700000000, 0.0022558200000000, -0.0021605000000000 ] - [ 0.0061705500000000, -0.0082541400000000, 0.0015481900000000 ] - [ 0.0001295000000000, 0.0000330400000000, -0.0007076400000000 ] - [ -0.0008921600000000, -0.0001547000000000, 0.0015982900000000 ] - [ -0.0006427200000000, -0.0047529000000000, -0.0047802300000000 ] - [ -0.0007628000000000, -0.0022643300000000, 0.0003127400000000 ] - [ 0.0005425200000000, -0.0022612100000000, 0.0006139300000000 ] - [ -0.0008043000000000, -0.0038734500000000, -0.0004223500000000 ] - [ 0.0001172100000000, -0.0010039900000000, -0.0004001000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0151110300000000, 0.0091543300000000, 0.0346539400000000 ] - [ -0.0042929600000000, 0.0042452000000000, -0.0077568700000000 ] - [ 0.0041758400000000, 0.0044807800000000, -0.0080171900000000 ] - [ 0.0079377800000000, 0.0061106800000000, 0.0225130800000000 ] - [ 0.0030475800000000, -0.0047046600000000, 0.0215763400000000 ] - [ 0.0037657000000000, -0.0033062900000000, -0.0080025100000000 ] - [ -0.0044793200000000, -0.0028690300000000, -0.0077789600000000 ] - [ -0.0055426500000000, -0.0042462700000000, 0.0222949900000000 ] - [ -0.0000513100000000, 0.0012514600000000, -0.0034641600000000 ] - [ -0.0003965700000000, -0.0010710800000000, 0.0029948500000000 ] - [ 0.0012987300000000, 0.0000837800000000, 0.0042898200000000 ] - [ 0.0013278300000000, 0.0004613400000000, -0.0037542500000000 ] - [ -0.0007758800000000, 0.0007753400000000, 0.0014710800000000 ] - [ 0.0002026400000000, -0.0004796100000000, -0.0014426700000000 ] - [ -0.0000358800000000, -0.0006214300000000, -0.0017456200000000 ] - [ 0.0008883400000000, 0.0015514200000000, 0.0019947200000000 ] - [ 0.0003728500000000, -0.0021657000000000, 0.0022101900000000 ] - [ -0.0000143700000000, 0.0002737400000000, -0.0015805700000000 ] - [ 0.0002171500000000, 0.0004197100000000, -0.0013716400000000 ] - [ -0.0008890100000000, -0.0017535400000000, 0.0013524300000000 ] - [ 0.0004832600000000, -0.0017867900000000, -0.0028325200000000 ] - [ -0.0011202800000000, 0.0015032200000000, 0.0022361900000000 ] - [ 0.0002473300000000, 0.0002424500000000, 0.0025067500000000 ] - [ 0.0007289000000000, -0.0013627100000000, -0.0022656700000000 ] - [ 0.0015217400000000, -0.0012017200000000, 0.0012107400000000 ] - [ -0.0003756600000000, 0.0003223700000000, -0.0022544900000000 ] - [ -0.0023447500000000, -0.0028293900000000, 0.0031327200000000 ] - [ -0.0001811300000000, 0.0019912400000000, -0.0030296800000000 ] - [ -0.0004942000000000, 0.0014487600000000, 0.0019341000000000 ] - [ 0.0000967300000000, -0.0001481100000000, -0.0044168800000000 ] - [ 0.0010771400000000, 0.0026413400000000, 0.0031673100000000 ] - [ -0.0016876100000000, -0.0007952800000000, -0.0029576900000000 ] - [ 0.0168855400000000, -0.0144001700000000, -0.1467567800000000 ] - [ -0.0004003000000000, 0.0001259300000000, 0.0085705200000000 ] - [ 0.0004378200000000, -0.0053049900000000, 0.0323759300000000 ] - [ -0.0002651500000000, 0.0037442200000000, 0.0318144700000000 ] - [ -0.0022102000000000, 0.0030558300000000, -0.0072204200000000 ] - [ 0.0005226100000000, -0.0004926700000000, 0.0025355200000000 ] - [ 0.0032040300000000, 0.0058992600000000, 0.0031522700000000 ] - [ 0.0010415300000000, -0.0036509900000000, 0.0019312600000000 ] - [ -0.0002356200000000, -0.0000282200000000, -0.0006340100000000 ] - [ 0.0000425700000000, 0.0001718800000000, 0.0012030600000000 ] - [ -0.0003499400000000, -0.0036716900000000, 0.0017737000000000 ] - [ -0.0006145400000000, 0.0013006000000000, 0.0000500100000000 ] - [ 0.0005251200000000, -0.0017020000000000, -0.0043611300000000 ] - [ 0.0001321400000000, 0.0004907700000000, 0.0027155200000000 ] - [ 0.0004273800000000, 0.0006031200000000, -0.0003246800000000 ] - [ -0.0000481300000000, -0.0010866500000000, 0.0002417500000000 ] - [ 0.0011050100000000, -0.0009108100000000, -0.0030248900000000 ] - [ -0.0004832600000000, 0.0002510300000000, 0.0018416400000000 ] - [ 0.0007044100000000, 0.0009376500000000, -0.0002766000000000 ] - [ -0.0035334300000000, -0.0046434900000000, 0.0039771200000000 ] - [ 0.0038738500000000, 0.0015610000000000, 0.0020125600000000 ] - [ -0.0046052400000000, 0.0027034500000000, 0.0020343500000000 ] - [ -0.0009757300000000, 0.0022812200000000, -0.0085826600000000 ] - [ 0.0003081400000000, -0.0006437500000000, 0.0035881100000000 ] - [ 0.0000539300000000, 0.0001320200000000, -0.0012365300000000 ] - [ -0.0001712700000000, 0.0001943400000000, 0.0009468600000000 ] - [ -0.0001168400000000, 0.0002986200000000, 0.0000206400000000 ] - [ -0.0001954600000000, -0.0002854100000000, 0.0000288400000000 ] - [ -0.0005017200000000, 0.0000575300000000, -0.0015239500000000 ] - [ -0.0005054200000000, -0.0002130300000000, 0.0022780400000000 ] - [ -0.0001061000000000, -0.0008766900000000, -0.0002598800000000 ] - [ 0.0005826600000000, 0.0008489300000000, 0.0001352900000000 ] - [ 0.0019357600000000, -0.0018943600000000, -0.0051813200000000 ] - [ -0.0002349700000000, 0.0005050700000000, 0.0028135500000000 ] - [ -0.0078667100000000, 0.0052515600000000, 0.0046752400000000 ] - [ 0.0003083800000000, -0.0007688200000000, -0.0004152500000000 ] - [ 0.0021986700000000, 0.0012808700000000, -0.0040328200000000 ] - [ -0.0006178600000000, -0.0008178600000000, 0.0024790400000000 ] - [ -0.0034103900000000, -0.0028314800000000, 0.0005239000000000 ] - [ 0.0024693600000000, -0.0007843700000000, 0.0020389600000000 ] - [ 0.0003708500000000, 0.0013239100000000, -0.0052167200000000 ] - [ 0.0002060300000000, -0.0006428200000000, 0.0026990100000000 ] - [ -0.0005256000000000, -0.0016837900000000, -0.0004633300000000 ] - [ 0.0006424600000000, 0.0049459600000000, 0.0043221700000000 ] - [ 0.0000355200000000, 0.0005492800000000, -0.0000740200000000 ] - [ 0.0002235500000000, 0.0002377100000000, -0.0000642600000000 ] - [ 0.0001800800000000, 0.0004945900000000, -0.0012412000000000 ] - [ -0.0000404500000000, 0.0004721800000000, 0.0012432300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0139699600000000, -0.0085174800000000, -0.0337822700000000 ] - [ 0.0043582400000000, -0.0045495900000000, 0.0076749300000000 ] - [ -0.0041055000000000, -0.0041766300000000, 0.0079123200000000 ] - [ -0.0085549400000000, -0.0065028800000000, -0.0230466700000000 ] - [ -0.0024915200000000, 0.0042139900000000, -0.0212768100000000 ] - [ -0.0038127900000000, 0.0033518800000000, 0.0079160900000000 ] - [ 0.0044341800000000, 0.0028225200000000, 0.0076835900000000 ] - [ 0.0064320300000000, 0.0048400300000000, -0.0231457300000000 ] - [ 0.0000302000000000, -0.0009892800000000, 0.0033850800000000 ] - [ 0.0003780700000000, 0.0013073700000000, -0.0031260000000000 ] - [ -0.0013031000000000, -0.0003228100000000, -0.0043293800000000 ] - [ -0.0013583400000000, -0.0007205000000000, 0.0036542100000000 ] - [ 0.0008050000000000, -0.0010344100000000, -0.0015500800000000 ] - [ -0.0001823900000000, 0.0002230700000000, 0.0013431300000000 ] - [ 0.0000598300000000, 0.0008724200000000, 0.0016630300000000 ] - [ -0.0008605700000000, -0.0012943700000000, -0.0021079900000000 ] - [ -0.0003794300000000, 0.0021774300000000, -0.0022841600000000 ] - [ 0.0000142900000000, -0.0002703300000000, 0.0014721100000000 ] - [ -0.0002171500000000, -0.0004282000000000, 0.0012788500000000 ] - [ 0.0008834300000000, 0.0017415100000000, -0.0014599400000000 ] - [ -0.0005059500000000, 0.0020323200000000, 0.0027473200000000 ] - [ 0.0011017100000000, -0.0012390500000000, -0.0023570900000000 ] - [ -0.0002812000000000, -0.0005212100000000, -0.0025644700000000 ] - [ -0.0007463500000000, 0.0011084200000000, 0.0021609400000000 ] - [ -0.0014875000000000, 0.0009750400000000, -0.0012758400000000 ] - [ 0.0003711500000000, -0.0005273500000000, 0.0022352800000000 ] - [ 0.0023410200000000, 0.0030482100000000, -0.0031340500000000 ] - [ 0.0001823100000000, -0.0017891600000000, 0.0029976900000000 ] - [ 0.0004836300000000, -0.0016438500000000, -0.0019980400000000 ] - [ -0.0000942600000000, -0.0000695000000000, 0.0043809300000000 ] - [ -0.0010810400000000, -0.0024274400000000, -0.0031849000000000 ] - [ 0.0016895100000000, 0.0010197100000000, 0.0029162500000000 ] - [ -0.0165715600000000, 0.0143120500000000, 0.1465346000000000 ] - [ 0.0003022900000000, 0.0000657700000000, -0.0086113000000000 ] - [ -0.0005255600000000, 0.0050100800000000, -0.0318547300000000 ] - [ 0.0001578200000000, -0.0040318700000000, -0.0324160400000000 ] - [ 0.0020842300000000, -0.0030244500000000, 0.0072921800000000 ] - [ -0.0006337900000000, 0.0003673300000000, -0.0024831400000000 ] - [ -0.0033063400000000, -0.0057677300000000, -0.0031049500000000 ] - [ -0.0011591000000000, 0.0037821800000000, -0.0018732300000000 ] - [ 0.0002243900000000, 0.0002931200000000, 0.0008648900000000 ] - [ -0.0000416700000000, 0.0000797600000000, -0.0009753100000000 ] - [ 0.0003483900000000, 0.0037214400000000, -0.0017374000000000 ] - [ 0.0006119200000000, -0.0012646500000000, 0.0000219700000000 ] - [ -0.0005469600000000, 0.0016247700000000, 0.0044303400000000 ] - [ -0.0001322300000000, -0.0005263200000000, -0.0026644000000000 ] - [ -0.0004267500000000, -0.0008516800000000, 0.0005455500000000 ] - [ 0.0000473000000000, 0.0008391000000000, -0.0000052500000000 ] - [ -0.0010030500000000, 0.0008076600000000, 0.0030677700000000 ] - [ 0.0006029000000000, -0.0003700200000000, -0.0017968900000000 ] - [ -0.0005862000000000, -0.0008298700000000, 0.0003108100000000 ] - [ 0.0036686000000000, 0.0047854400000000, -0.0039527700000000 ] - [ -0.0037721900000000, -0.0017500300000000, -0.0020781400000000 ] - [ 0.0047304000000000, -0.0028938000000000, -0.0020562500000000 ] - [ 0.0009533200000000, -0.0020972100000000, 0.0085581800000000 ] - [ -0.0001963700000000, 0.0008228900000000, -0.0036292200000000 ] - [ -0.0001543800000000, 0.0000455300000000, 0.0011971600000000 ] - [ 0.0000714900000000, -0.0000153900000000, -0.0009849700000000 ] - [ 0.0000174300000000, -0.0004756700000000, -0.0000668500000000 ] - [ 0.0000941900000000, 0.0001074200000000, -0.0000586100000000 ] - [ 0.0003943800000000, -0.0001769300000000, 0.0015738900000000 ] - [ 0.0003887600000000, 0.0001094100000000, -0.0022242600000000 ] - [ -0.0000092900000000, 0.0009812500000000, 0.0003048300000000 ] - [ -0.0006957800000000, -0.0007390200000000, -0.0000745900000000 ] - [ -0.0018656600000000, 0.0021362200000000, 0.0054255400000000 ] - [ 0.0002266900000000, -0.0002519000000000, -0.0025851000000000 ] - [ 0.0078082500000000, -0.0051715200000000, -0.0045846500000000 ] - [ -0.0003133500000000, 0.0008164400000000, 0.0004887500000000 ] - [ -0.0022021600000000, -0.0013244300000000, 0.0040986900000000 ] - [ 0.0006065200000000, 0.0007624500000000, -0.0024181600000000 ] - [ 0.0033975300000000, 0.0025719400000000, -0.0003109700000000 ] - [ -0.0024738400000000, 0.0005246100000000, -0.0017961300000000 ] - [ -0.0002275900000000, -0.0014733400000000, 0.0052588900000000 ] - [ -0.0000926200000000, 0.0005449000000000, -0.0026517000000000 ] - [ 0.0006409600000000, 0.0017822300000000, 0.0004970500000000 ] - [ -0.0005226700000000, -0.0048240300000000, -0.0042578000000000 ] - [ 0.0000674100000000, -0.0007223400000000, 0.0000259700000000 ] - [ -0.0001225700000000, -0.0004145200000000, 0.0000357500000000 ] - [ -0.0000750400000000, -0.0003148500000000, 0.0012017200000000 ] - [ 0.0001390400000000, -0.0002923000000000, -0.0012800600000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004956400000000, 0.0010168600000000, 0.0016047100000000 ] - [ 0.0000888800000000, 0.0013041800000000, -0.0014026200000000 ] - [ 0.0013968500000000, 0.0015185800000000, 0.0005697800000000 ] - [ 0.0205150400000000, -0.0088266100000000, 0.0062383900000000 ] - [ 0.0108508200000000, -0.0054319700000000, -0.0038810000000000 ] - [ 0.0016341200000000, -0.0024330500000000, 0.0002829900000000 ] - [ 0.0009309700000000, -0.0005626900000000, -0.0009115700000000 ] - [ 0.0023260800000000, -0.0001662400000000, 0.0011115800000000 ] - [ -0.0020502200000000, 0.0004731100000000, -0.0010896000000000 ] - [ -0.0095534600000000, -0.0037827700000000, 0.0031107400000000 ] - [ -0.0024695500000000, -0.0009412400000000, 0.0004231300000000 ] - [ -0.0013510800000000, 0.0003233000000000, -0.0002507100000000 ] - [ -0.0046620300000000, 0.0051983100000000, -0.0056631600000000 ] - [ -0.0021595700000000, 0.0010623200000000, 0.0013467100000000 ] - [ -0.0002124200000000, 0.0004048300000000, -0.0002963000000000 ] - [ -0.0021097100000000, 0.0022152000000000, 0.0010170400000000 ] - [ -0.0019717400000000, -0.0005148100000000, 0.0006061200000000 ] - [ -0.0005723800000000, 0.0000989900000000, -0.0002966200000000 ] - [ -0.0017116800000000, -0.0011686100000000, 0.0005900400000000 ] - [ -0.0070654400000000, -0.0044839400000000, -0.0024701700000000 ] - [ 0.0008716000000000, -0.0000133200000000, 0.0001623000000000 ] - [ 0.0038746600000000, 0.0004124900000000, -0.0002353900000000 ] - [ 0.0115221200000000, -0.0005929500000000, -0.0009768600000000 ] - [ 0.0040535000000000, -0.0005809200000000, -0.0004949900000000 ] - [ 0.0838087100000000, -0.0340565700000000, -0.0377559500000000 ] - [ 0.0006614100000000, 0.0000036400000000, -0.0014932900000000 ] - [ 0.0003235000000000, 0.0005224600000000, -0.0005818100000000 ] - [ 0.0002889500000000, 0.0007672800000000, -0.0000186400000000 ] - [ -0.0005328000000000, 0.0012262100000000, -0.0001228800000000 ] - [ -0.0001986800000000, 0.0000886600000000, -0.0000960400000000 ] - [ -0.0054100300000000, 0.0010060500000000, 0.0048205800000000 ] - [ -0.0024660700000000, -0.0003650000000000, -0.0012486300000000 ] - [ -0.0076020100000000, -0.0026634000000000, -0.0021640800000000 ] - [ -0.0007840900000000, 0.0000233500000000, 0.0005584600000000 ] - [ -0.0027628000000000, 0.0007386300000000, 0.0010832900000000 ] - [ -0.0050519400000000, -0.0020136600000000, 0.0032263100000000 ] - [ -0.1630300700000000, 0.0610721200000000, 0.0343406200000000 ] - [ -0.0011910800000000, 0.0002456500000000, 0.0001898200000000 ] - [ -0.0004756700000000, -0.0000365800000000, -0.0000792900000000 ] - [ -0.0004751900000000, -0.0005276100000000, -0.0000491200000000 ] - [ 0.0023152900000000, -0.0137928800000000, -0.0011915400000000 ] - [ -0.0003303700000000, -0.0002400100000000, 0.0003524500000000 ] - [ -0.0010418700000000, -0.0020663300000000, 0.0050924000000000 ] - [ -0.0001685400000000, -0.0016819400000000, -0.0083387000000000 ] - [ -0.0004593500000000, -0.0013763900000000, -0.0000223800000000 ] - [ -0.0001711400000000, -0.0001152800000000, 0.0000281600000000 ] - [ -0.0015334600000000, -0.0003088200000000, 0.0007444000000000 ] - [ -0.0004354300000000, -0.0010318600000000, -0.0006864600000000 ] - [ 0.0348833400000000, 0.0002559500000000, -0.0000800600000000 ] - [ 0.0003893700000000, 0.0003251800000000, 0.0002027600000000 ] - [ 0.0000577200000000, 0.0003331900000000, 0.0001061800000000 ] - [ 0.0000584200000000, -0.0004290500000000, -0.0002499900000000 ] - [ 0.0040097300000000, 0.0021919600000000, 0.0035835300000000 ] - [ 0.0002236500000000, 0.0005953300000000, -0.0006705000000000 ] - [ 0.0014421700000000, 0.0033290400000000, -0.0010669500000000 ] - [ 0.0002307900000000, 0.0002950100000000, 0.0005232900000000 ] - [ 0.0029025900000000, -0.0008675500000000, -0.0004646900000000 ] - [ 0.0007566100000000, -0.0000123600000000, -0.0004644500000000 ] - [ 0.0014107000000000, -0.0008847800000000, 0.0006229300000000 ] - [ 0.0012688300000000, 0.0001271300000000, -0.0000668900000000 ] - [ 0.0008907200000000, -0.0006262700000000, 0.0001254200000000 ] - [ 0.0001646600000000, -0.0001943000000000, 0.0001878800000000 ] - [ 0.0025969800000000, 0.0004880300000000, 0.0004776900000000 ] - [ 0.0025949000000000, 0.0004146900000000, -0.0007114400000000 ] - [ 0.0029281800000000, -0.0022693700000000, -0.0012423600000000 ] - [ 0.0002661400000000, -0.0001424200000000, 0.0004604900000000 ] - [ 0.0003048800000000, 0.0000596500000000, 0.0000094200000000 ] - [ 0.0002591400000000, -0.0004850500000000, 0.0002363000000000 ] - [ 0.0154186500000000, -0.0010979200000000, -0.0006181200000000 ] - [ 0.0008666100000000, -0.0001408200000000, 0.0008092200000000 ] - [ 0.0009751100000000, -0.0009282900000000, -0.0009510100000000 ] - [ 0.0038459600000000, -0.0009641900000000, 0.0027639900000000 ] - [ -0.0001484800000000, 0.0000255700000000, 0.0000877800000000 ] - [ 0.0000369800000000, -0.0002606500000000, 0.0002308100000000 ] - [ 0.0020978800000000, 0.0008350200000000, -0.0055213300000000 ] - [ 0.0020915400000000, 0.0022043200000000, 0.0065239300000000 ] - [ 0.0006068900000000, 0.0006302600000000, -0.0006170000000000 ] - [ -0.0005105500000000, 0.0008567200000000, 0.0005668800000000 ] - [ 0.0013677400000000, 0.0062284900000000, -0.0003064000000000 ] - [ -0.0002361300000000, 0.0001607100000000, -0.0001695000000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004873900000000, -0.0012851400000000, -0.0016935800000000 ] - [ -0.0000676800000000, -0.0015777200000000, 0.0013264300000000 ] - [ -0.0013795600000000, -0.0012556500000000, -0.0006554300000000 ] - [ -0.0209905300000000, 0.0097644600000000, -0.0068262600000000 ] - [ -0.0106151200000000, 0.0057310700000000, 0.0040325100000000 ] - [ -0.0016345400000000, 0.0024677300000000, -0.0003767600000000 ] - [ -0.0009298300000000, 0.0005460600000000, 0.0008162600000000 ] - [ -0.0023135800000000, 0.0001399400000000, -0.0012220100000000 ] - [ 0.0020343200000000, -0.0002156200000000, 0.0009976500000000 ] - [ 0.0095449300000000, 0.0039930500000000, -0.0031608000000000 ] - [ 0.0024491800000000, 0.0006689100000000, -0.0005248100000000 ] - [ 0.0013303800000000, -0.0005931700000000, 0.0001698700000000 ] - [ 0.0047074000000000, -0.0054064500000000, 0.0055481200000000 ] - [ 0.0022027500000000, -0.0013193900000000, -0.0014372200000000 ] - [ 0.0002404900000000, -0.0001517400000000, 0.0002098700000000 ] - [ 0.0021524200000000, -0.0019722200000000, -0.0011153100000000 ] - [ 0.0019568000000000, 0.0005173400000000, -0.0007131900000000 ] - [ 0.0005704800000000, -0.0000921000000000, 0.0002016300000000 ] - [ 0.0017000600000000, 0.0011733900000000, -0.0006815700000000 ] - [ 0.0070654500000000, 0.0045341000000000, 0.0023931000000000 ] - [ -0.0008882800000000, 0.0002600100000000, -0.0002386100000000 ] - [ -0.0039063600000000, -0.0001789000000000, 0.0001334500000000 ] - [ -0.0116139300000000, 0.0003151800000000, 0.0009239800000000 ] - [ -0.0040964700000000, 0.0003239700000000, 0.0003938700000000 ] - [ -0.0803437200000000, 0.0314627500000000, 0.0348850400000000 ] - [ -0.0006624300000000, -0.0002151000000000, 0.0014731700000000 ] - [ -0.0003208600000000, -0.0003165500000000, 0.0005498300000000 ] - [ -0.0002881700000000, -0.0005579300000000, -0.0000140600000000 ] - [ 0.0005311000000000, -0.0014587700000000, 0.0000867100000000 ] - [ 0.0001976500000000, -0.0003103200000000, 0.0000634900000000 ] - [ 0.0054102700000000, -0.0007860900000000, -0.0049227600000000 ] - [ 0.0024674000000000, 0.0005892000000000, 0.0012252500000000 ] - [ 0.0075371500000000, 0.0027656000000000, 0.0021285800000000 ] - [ 0.0006850400000000, 0.0001559300000000, -0.0006000200000000 ] - [ 0.0026572800000000, -0.0009179300000000, -0.0011192600000000 ] - [ 0.0049962100000000, 0.0018404300000000, -0.0032861200000000 ] - [ 0.1593485900000000, -0.0596599500000000, -0.0311434500000000 ] - [ 0.0010788100000000, -0.0003591500000000, -0.0001391100000000 ] - [ 0.0003603400000000, 0.0001508400000000, 0.0001301600000000 ] - [ 0.0003608200000000, 0.0006441200000000, 0.0001040900000000 ] - [ -0.0024075500000000, 0.0140345100000000, 0.0014015500000000 ] - [ 0.0003300100000000, 0.0004905200000000, -0.0001259200000000 ] - [ 0.0010089100000000, 0.0021069600000000, -0.0050517600000000 ] - [ 0.0001177900000000, 0.0017218200000000, 0.0084152300000000 ] - [ 0.0004578500000000, 0.0013428000000000, 0.0000757800000000 ] - [ 0.0001697900000000, 0.0000758300000000, 0.0000210600000000 ] - [ 0.0015263500000000, 0.0000637900000000, -0.0005210600000000 ] - [ 0.0004355200000000, 0.0007876500000000, 0.0009212900000000 ] - [ -0.0341830800000000, -0.0003897500000000, 0.0001232200000000 ] - [ -0.0002776100000000, -0.0004398600000000, -0.0001506100000000 ] - [ 0.0000544900000000, -0.0002187200000000, -0.0000533600000000 ] - [ 0.0000551800000000, 0.0005449300000000, 0.0003036400000000 ] - [ -0.0039065200000000, -0.0023743000000000, -0.0036202000000000 ] - [ -0.0001357200000000, -0.0007647400000000, 0.0006185200000000 ] - [ -0.0013539500000000, -0.0031303500000000, 0.0010393300000000 ] - [ -0.0001320100000000, -0.0001148600000000, -0.0005645900000000 ] - [ -0.0030086800000000, 0.0010292900000000, 0.0004293900000000 ] - [ -0.0008596300000000, 0.0001933400000000, 0.0004276900000000 ] - [ -0.0015049900000000, 0.0007002000000000, -0.0006575500000000 ] - [ -0.0013765900000000, -0.0003113000000000, 0.0000280100000000 ] - [ -0.0010079800000000, 0.0005264700000000, -0.0000723500000000 ] - [ -0.0002810600000000, 0.0000904900000000, -0.0001379300000000 ] - [ -0.0027118500000000, -0.0003882600000000, -0.0004053400000000 ] - [ -0.0027139200000000, -0.0003185500000000, 0.0007460300000000 ] - [ -0.0029307000000000, 0.0025407100000000, 0.0014826200000000 ] - [ -0.0002652700000000, 0.0003967400000000, -0.0002331800000000 ] - [ -0.0003009200000000, -0.0000096200000000, 0.0000412500000000 ] - [ -0.0002585400000000, 0.0005360900000000, -0.0001869300000000 ] - [ -0.0155851700000000, 0.0010715000000000, 0.0006807100000000 ] - [ -0.0008664500000000, 0.0000935400000000, -0.0007661800000000 ] - [ -0.0009718200000000, 0.0006813400000000, 0.0011928300000000 ] - [ -0.0038580300000000, 0.0007173900000000, -0.0025567300000000 ] - [ 0.0002708500000000, -0.0001274500000000, -0.0000337100000000 ] - [ 0.0000814000000000, 0.0001581300000000, -0.0001825400000000 ] - [ -0.0019600100000000, -0.0007528400000000, 0.0055982800000000 ] - [ -0.0019664500000000, -0.0021166900000000, -0.0065122900000000 ] - [ -0.0004564900000000, -0.0007756700000000, 0.0005465000000000 ] - [ 0.0006213300000000, -0.0010394500000000, -0.0006012900000000 ] - [ -0.0012352400000000, -0.0060626800000000, 0.0002904100000000 ] - [ 0.0003399200000000, 0.0000168500000000, 0.0001274500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040035600000000, -0.0059156500000000, -0.0046618400000000 ] - [ 0.0007759500000000, -0.0032943600000000, 0.0020342500000000 ] - [ 0.0009717700000000, 0.0029551900000000, -0.0005774900000000 ] - [ -0.0085929300000000, 0.0254076300000000, -0.0058105500000000 ] - [ -0.0042803300000000, 0.0125663400000000, -0.0053883600000000 ] - [ -0.0014172100000000, 0.0033548600000000, 0.0018044300000000 ] - [ -0.0000901800000000, -0.0024313100000000, -0.0013030700000000 ] - [ -0.0042908300000000, -0.0060135700000000, 0.0035555700000000 ] - [ -0.0006547500000000, 0.0025741500000000, -0.0008774800000000 ] - [ 0.0008778000000000, 0.0029516000000000, 0.0002938100000000 ] - [ -0.0007177700000000, -0.0032168300000000, -0.0007561200000000 ] - [ 0.0004126100000000, -0.0022237300000000, 0.0005538800000000 ] - [ 0.0044113900000000, 0.0029773100000000, 0.0028570800000000 ] - [ 0.0010598300000000, 0.0008019300000000, -0.0009950400000000 ] - [ 0.0004066400000000, -0.0016442400000000, 0.0009753900000000 ] - [ 0.0032054800000000, -0.0048993100000000, -0.0022360000000000 ] - [ -0.0023405200000000, -0.0041051700000000, 0.0004595000000000 ] - [ -0.0002766000000000, -0.0017294500000000, -0.0004701900000000 ] - [ -0.0013035500000000, 0.0020925600000000, 0.0016630800000000 ] - [ -0.0040471900000000, 0.0031108500000000, -0.0033836200000000 ] - [ 0.0009177200000000, -0.0027785200000000, 0.0020430400000000 ] - [ -0.0013782800000000, -0.0076202300000000, -0.0034303300000000 ] - [ -0.0072378000000000, 0.0108122300000000, 0.0020058900000000 ] - [ -0.0009507300000000, 0.0011267400000000, -0.0019671900000000 ] - [ -0.0314231700000000, 0.0421410800000000, 0.0186814900000000 ] - [ 0.0000609500000000, 0.0008854300000000, 0.0013791300000000 ] - [ -0.0002338200000000, -0.0038667200000000, 0.0005637100000000 ] - [ -0.0001296900000000, -0.0017066500000000, 0.0000573100000000 ] - [ 0.0003382900000000, -0.0032967800000000, 0.0000545600000000 ] - [ -0.0000684000000000, -0.0013128900000000, -0.0002737900000000 ] - [ 0.0001431000000000, 0.0028402600000000, -0.0021713800000000 ] - [ 0.0002212900000000, 0.0026754800000000, 0.0007520500000000 ] - [ -0.0004027800000000, 0.0242876800000000, 0.0030424300000000 ] - [ -0.0000472100000000, -0.0000415700000000, -0.0004487700000000 ] - [ -0.0014221200000000, 0.0006383600000000, 0.0037043800000000 ] - [ 0.0024902700000000, 0.0028935300000000, -0.0058657400000000 ] - [ 0.0600642000000000, -0.1243242700000000, -0.0081517600000000 ] - [ 0.0002460900000000, -0.0014152800000000, -0.0001370900000000 ] - [ 0.0005296000000000, 0.0027779400000000, 0.0005958200000000 ] - [ 0.0000361700000000, 0.0027773900000000, 0.0003012200000000 ] - [ -0.0170501200000000, 0.0209210400000000, 0.0027677900000000 ] - [ -0.0001208000000000, -0.0002407600000000, -0.0002429500000000 ] - [ -0.0023590100000000, -0.0043079000000000, -0.0026763400000000 ] - [ -0.0016326300000000, -0.0040501700000000, 0.0037796200000000 ] - [ 0.0003786300000000, 0.0046612800000000, -0.0000671300000000 ] - [ -0.0001449700000000, 0.0013388300000000, 0.0000123400000000 ] - [ -0.0018237900000000, 0.0028937200000000, -0.0020965500000000 ] - [ -0.0000468200000000, 0.0010275400000000, 0.0019344700000000 ] - [ -0.0003772400000000, -0.0089744000000000, 0.0009977700000000 ] - [ -0.0003266500000000, -0.0014435500000000, -0.0000606300000000 ] - [ -0.0004279300000000, 0.0022688800000000, 0.0000438500000000 ] - [ 0.0003339900000000, 0.0022698300000000, 0.0001978200000000 ] - [ 0.0047704200000000, 0.0024136900000000, 0.0047043500000000 ] - [ 0.0007762200000000, -0.0004872700000000, -0.0008993400000000 ] - [ 0.0031314800000000, 0.0012423300000000, -0.0008793100000000 ] - [ 0.0000936900000000, 0.0000601200000000, 0.0002932000000000 ] - [ -0.0008290300000000, -0.0001357300000000, 0.0000984600000000 ] - [ -0.0000000100000000, 0.0001779100000000, -0.0001764200000000 ] - [ 0.0004479600000000, 0.0000458500000000, -0.0008119400000000 ] - [ -0.0003674600000000, -0.0000838200000000, 0.0009064700000000 ] - [ -0.0006350100000000, 0.0027552800000000, -0.0003022400000000 ] - [ -0.0002006300000000, 0.0011397200000000, -0.0001785800000000 ] - [ -0.0004253900000000, -0.0018783200000000, -0.0000855100000000 ] - [ -0.0004994800000000, -0.0018797300000000, -0.0000352900000000 ] - [ -0.0028363700000000, 0.0029223700000000, 0.0013735500000000 ] - [ -0.0000072400000000, 0.0006268100000000, -0.0002751800000000 ] - [ -0.0005120600000000, 0.0023793200000000, 0.0004225100000000 ] - [ -0.0001603200000000, 0.0015313500000000, -0.0000937700000000 ] - [ -0.0022528100000000, -0.0044090300000000, 0.0013511600000000 ] - [ 0.0001025700000000, -0.0014253200000000, -0.0004548600000000 ] - [ -0.0002403200000000, -0.0014017300000000, 0.0008785800000000 ] - [ -0.0034279700000000, -0.0000238800000000, -0.0037056300000000 ] - [ -0.0000226600000000, 0.0042186500000000, -0.0003916600000000 ] - [ 0.0002666200000000, 0.0014906100000000, -0.0005315800000000 ] - [ 0.0022197400000000, -0.0047813900000000, -0.0013885800000000 ] - [ 0.0008647600000000, -0.0047967100000000, -0.0004658400000000 ] - [ 0.0056474300000000, 0.0046991600000000, -0.0048907700000000 ] - [ 0.0007989100000000, 0.0001306500000000, 0.0017088000000000 ] - [ 0.0068994800000000, 0.0082894200000000, 0.0013752100000000 ] - [ 0.0001279300000000, 0.0000033800000000, -0.0006080600000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039509200000000, 0.0056495000000000, 0.0045362300000000 ] - [ -0.0007520200000000, 0.0030369900000000, -0.0021136600000000 ] - [ -0.0009461000000000, -0.0026799600000000, 0.0004864300000000 ] - [ 0.0078067300000000, -0.0244481000000000, 0.0051030200000000 ] - [ 0.0046140500000000, -0.0121454600000000, 0.0056752200000000 ] - [ 0.0014106100000000, -0.0033062900000000, -0.0019162600000000 ] - [ 0.0000860800000000, 0.0024261100000000, 0.0011975400000000 ] - [ 0.0042536300000000, 0.0060026700000000, -0.0036209600000000 ] - [ 0.0006319200000000, -0.0023028500000000, 0.0007868900000000 ] - [ -0.0008707800000000, -0.0026286300000000, -0.0004173300000000 ] - [ 0.0006984100000000, 0.0029719900000000, 0.0006681800000000 ] - [ -0.0004306000000000, 0.0019720400000000, -0.0006427100000000 ] - [ -0.0043913400000000, -0.0033017300000000, -0.0029308700000000 ] - [ -0.0010153900000000, -0.0010902100000000, 0.0008900400000000 ] - [ -0.0003872000000000, 0.0018930500000000, -0.0010725400000000 ] - [ -0.0031956600000000, 0.0051510800000000, 0.0021595600000000 ] - [ 0.0023560800000000, 0.0041126400000000, -0.0005624300000000 ] - [ 0.0002786500000000, 0.0017326200000000, 0.0003741900000000 ] - [ 0.0013093300000000, -0.0021218500000000, -0.0017662000000000 ] - [ 0.0040522200000000, -0.0031720600000000, 0.0032918900000000 ] - [ -0.0009451500000000, 0.0030336800000000, -0.0021495400000000 ] - [ 0.0013575800000000, 0.0078844000000000, 0.0033646300000000 ] - [ 0.0071275400000000, -0.0117201000000000, -0.0014052300000000 ] - [ 0.0009074200000000, -0.0014216100000000, 0.0018622400000000 ] - [ 0.0325094700000000, -0.0425161800000000, -0.0194216100000000 ] - [ -0.0000660400000000, -0.0011067200000000, -0.0014085700000000 ] - [ 0.0002288800000000, 0.0040840800000000, -0.0006065200000000 ] - [ 0.0001285900000000, 0.0019165700000000, -0.0000896600000000 ] - [ -0.0003312400000000, 0.0030837800000000, -0.0000840200000000 ] - [ 0.0000698900000000, 0.0010997600000000, 0.0002333300000000 ] - [ -0.0001441700000000, -0.0026085100000000, 0.0021624100000000 ] - [ -0.0002273900000000, -0.0024353700000000, -0.0007901800000000 ] - [ 0.0002924800000000, -0.0237004200000000, -0.0030384100000000 ] - [ -0.0000516000000000, 0.0002143300000000, 0.0004114900000000 ] - [ 0.0013245200000000, -0.0008306600000000, -0.0037282900000000 ] - [ -0.0025790800000000, -0.0030744600000000, 0.0058019100000000 ] - [ -0.0606290300000000, 0.1238255800000000, 0.0084167800000000 ] - [ -0.0003588500000000, 0.0013028500000000, 0.0001949700000000 ] - [ -0.0006420800000000, -0.0026674900000000, -0.0005345900000000 ] - [ -0.0001512600000000, -0.0026680000000000, -0.0002550800000000 ] - [ 0.0173045300000000, -0.0209358000000000, -0.0025785600000000 ] - [ 0.0001226900000000, 0.0005022800000000, 0.0004776800000000 ] - [ 0.0023540300000000, 0.0043834100000000, 0.0026923700000000 ] - [ 0.0015943600000000, 0.0041453800000000, -0.0036298900000000 ] - [ -0.0003742500000000, -0.0047037000000000, 0.0001159100000000 ] - [ 0.0001465800000000, -0.0013815800000000, 0.0000391400000000 ] - [ 0.0018382800000000, -0.0031471800000000, 0.0023360500000000 ] - [ 0.0000474300000000, -0.0012639000000000, -0.0017142100000000 ] - [ 0.0002687000000000, 0.0088712000000000, -0.0009596800000000 ] - [ 0.0004385900000000, 0.0013299000000000, 0.0001175200000000 ] - [ 0.0005461100000000, -0.0021628700000000, 0.0000116600000000 ] - [ -0.0002178700000000, -0.0021619300000000, -0.0001520600000000 ] - [ -0.0046504700000000, -0.0025832600000000, -0.0047239300000000 ] - [ -0.0006665600000000, 0.0002871900000000, 0.0008687500000000 ] - [ -0.0030170900000000, -0.0010859400000000, 0.0008393000000000 ] - [ 0.0000057000000000, 0.0001124600000000, -0.0003276100000000 ] - [ 0.0007266400000000, 0.0003374800000000, -0.0001358000000000 ] - [ -0.0001061300000000, 0.0000108900000000, 0.0001462600000000 ] - [ -0.0005587200000000, -0.0002133500000000, 0.0007767100000000 ] - [ 0.0002662200000000, -0.0000824200000000, -0.0009508600000000 ] - [ 0.0005175500000000, -0.0028671800000000, 0.0003565700000000 ] - [ 0.0000839600000000, -0.0012475400000000, 0.0002328800000000 ] - [ 0.0003078800000000, 0.0019893800000000, 0.0001262300000000 ] - [ 0.0003768100000000, 0.0019879500000000, 0.0000961800000000 ] - [ 0.0028228800000000, -0.0026767000000000, -0.0011444200000000 ] - [ 0.0000064700000000, -0.0003796800000000, 0.0005032800000000 ] - [ 0.0005043200000000, -0.0023355000000000, -0.0003662700000000 ] - [ 0.0001584100000000, -0.0014869900000000, 0.0001403700000000 ] - [ 0.0022792000000000, 0.0043353900000000, -0.0012989800000000 ] - [ -0.0001012000000000, 0.0013762300000000, 0.0005101200000000 ] - [ 0.0002349100000000, 0.0011374900000000, -0.0006493300000000 ] - [ 0.0033938300000000, -0.0002287200000000, 0.0039053900000000 ] - [ 0.0001306300000000, -0.0043231000000000, 0.0004414400000000 ] - [ -0.0001519100000000, -0.0015987900000000, 0.0005862000000000 ] - [ -0.0021012600000000, 0.0049120400000000, 0.0014201500000000 ] - [ -0.0007230500000000, 0.0048967200000000, 0.0005476100000000 ] - [ -0.0055938100000000, -0.0049154100000000, 0.0048800900000000 ] - [ -0.0007001800000000, -0.0002986300000000, -0.0017566700000000 ] - [ -0.0068678400000000, -0.0081683800000000, -0.0014217600000000 ] - [ -0.0000245100000000, 0.0001860800000000, 0.0005798900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010303800000000, -0.0009861200000000, 0.0020085500000000 ] - [ -0.0005930500000000, 0.0017831700000000, -0.0024650700000000 ] - [ 0.0002785400000000, -0.0017441500000000, -0.0047631800000000 ] - [ 0.0062141100000000, -0.0056496100000000, 0.0183087200000000 ] - [ -0.0021778000000000, -0.0037870500000000, 0.0100249200000000 ] - [ 0.0014106800000000, 0.0032687100000000, -0.0057313500000000 ] - [ 0.0001271600000000, -0.0007684200000000, -0.0023677600000000 ] - [ 0.0015316400000000, 0.0018192300000000, 0.0023748900000000 ] - [ -0.0007830100000000, 0.0003417400000000, -0.0026899000000000 ] - [ -0.0006277400000000, 0.0008772300000000, 0.0022486600000000 ] - [ -0.0013975400000000, -0.0010318400000000, 0.0017792300000000 ] - [ -0.0004180500000000, 0.0007588700000000, -0.0013076100000000 ] - [ -0.0028562700000000, 0.0016229100000000, 0.0034694400000000 ] - [ 0.0031694700000000, -0.0031821800000000, -0.0037458200000000 ] - [ -0.0005550600000000, 0.0004093600000000, -0.0017393000000000 ] - [ 0.0004322200000000, -0.0004923000000000, 0.0009051600000000 ] - [ 0.0014487700000000, 0.0012838000000000, 0.0019469300000000 ] - [ -0.0001037400000000, -0.0003125900000000, -0.0013010100000000 ] - [ 0.0022908600000000, 0.0007393100000000, -0.0039658700000000 ] - [ -0.0025872000000000, -0.0032546600000000, 0.0032126800000000 ] - [ -0.0007142400000000, 0.0014190200000000, -0.0029743800000000 ] - [ -0.0007558200000000, -0.0005959500000000, 0.0020233600000000 ] - [ 0.0057585300000000, 0.0010731700000000, 0.0129269700000000 ] - [ -0.0018670700000000, -0.0052914000000000, -0.0066310600000000 ] - [ -0.0355281700000000, 0.0181699800000000, 0.0475828500000000 ] - [ 0.0000716200000000, -0.0000672300000000, -0.0059414100000000 ] - [ -0.0000703600000000, 0.0010413600000000, 0.0013417500000000 ] - [ 0.0001381700000000, -0.0002662100000000, -0.0011199200000000 ] - [ 0.0000117000000000, 0.0012504600000000, 0.0003622200000000 ] - [ 0.0000281500000000, 0.0000136300000000, -0.0007883000000000 ] - [ 0.0047524800000000, -0.0016286700000000, 0.0026556200000000 ] - [ -0.0025135500000000, 0.0009899400000000, -0.0029246800000000 ] - [ -0.0022663000000000, 0.0007460500000000, -0.0072875800000000 ] - [ 0.0003753100000000, -0.0000054300000000, 0.0024916900000000 ] - [ -0.0014488200000000, 0.0027558400000000, 0.0018822100000000 ] - [ -0.0013923900000000, -0.0047715800000000, 0.0031109900000000 ] - [ 0.0319977900000000, -0.0079037300000000, -0.0994372200000000 ] - [ 0.0001055100000000, -0.0002186700000000, 0.0035468900000000 ] - [ -0.0001346600000000, -0.0002255400000000, -0.0000910000000000 ] - [ -0.0001619000000000, -0.0005090900000000, -0.0000837000000000 ] - [ -0.0014922800000000, 0.0021635700000000, -0.0067116200000000 ] - [ -0.0000277000000000, 0.0002019100000000, 0.0025699400000000 ] - [ 0.0059752500000000, -0.0025624500000000, 0.0097247900000000 ] - [ -0.0091985900000000, 0.0049798200000000, 0.0149456400000000 ] - [ 0.0000400200000000, 0.0000028500000000, -0.0009437700000000 ] - [ 0.0001443400000000, -0.0000488400000000, 0.0010513600000000 ] - [ 0.0021713800000000, -0.0025240100000000, 0.0004251900000000 ] - [ -0.0001805100000000, 0.0014022000000000, 0.0001810100000000 ] - [ 0.0000659000000000, 0.0009225700000000, -0.0082703900000000 ] - [ -0.0001144100000000, -0.0001406700000000, 0.0032999100000000 ] - [ 0.0003353200000000, -0.0001220000000000, 0.0000091400000000 ] - [ -0.0000219300000000, 0.0000388100000000, 0.0000145000000000 ] - [ 0.0042276700000000, 0.0025397200000000, 0.0039472300000000 ] - [ -0.0007975000000000, -0.0012303500000000, -0.0003059900000000 ] - [ 0.0018317800000000, 0.0014197500000000, -0.0030744500000000 ] - [ -0.0002773400000000, -0.0002977900000000, 0.0018014800000000 ] - [ -0.0000157400000000, 0.0001569400000000, -0.0015704900000000 ] - [ -0.0011346000000000, 0.0005164700000000, 0.0022328500000000 ] - [ -0.0006229700000000, -0.0003498900000000, 0.0000803900000000 ] - [ -0.0002589900000000, 0.0006144700000000, -0.0002947600000000 ] - [ 0.0000395800000000, -0.0003807700000000, -0.0007790400000000 ] - [ 0.0001049900000000, -0.0002608000000000, 0.0007270300000000 ] - [ -0.0007905400000000, 0.0001198100000000, -0.0003469300000000 ] - [ 0.0003820100000000, 0.0001622800000000, -0.0003292600000000 ] - [ 0.0023391100000000, -0.0023367700000000, -0.0024703900000000 ] - [ -0.0000006400000000, 0.0002703300000000, 0.0012029300000000 ] - [ 0.0000255200000000, -0.0002743600000000, 0.0000871600000000 ] - [ 0.0001397600000000, -0.0004402700000000, 0.0000169800000000 ] - [ 0.0000625000000000, 0.0011901400000000, -0.0047184000000000 ] - [ 0.0002301900000000, 0.0000265900000000, 0.0031156500000000 ] - [ -0.0006481900000000, 0.0009950900000000, -0.0002379400000000 ] - [ 0.0023358000000000, -0.0013285900000000, 0.0022836200000000 ] - [ -0.0000004100000000, -0.0004693800000000, -0.0007706300000000 ] - [ -0.0001490600000000, -0.0006139700000000, 0.0010549900000000 ] - [ -0.0064959500000000, 0.0005585300000000, 0.0070399300000000 ] - [ 0.0055902800000000, 0.0014579000000000, 0.0069861700000000 ] - [ -0.0054676000000000, -0.0049094500000000, 0.0042849900000000 ] - [ 0.0006125000000000, 0.0014722400000000, -0.0004930000000000 ] - [ -0.0019892400000000, -0.0014159000000000, -0.0052713800000000 ] - [ 0.0008099500000000, 0.0008229200000000, 0.0026579700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010148600000000, 0.0007267300000000, -0.0020736200000000 ] - [ 0.0006207600000000, -0.0020448400000000, 0.0023704700000000 ] - [ -0.0002498600000000, 0.0019814500000000, 0.0046615500000000 ] - [ -0.0065821700000000, 0.0063092300000000, -0.0185951100000000 ] - [ 0.0024495700000000, 0.0040880400000000, -0.0098163500000000 ] - [ -0.0014191200000000, -0.0032807000000000, 0.0056376200000000 ] - [ -0.0001309800000000, 0.0007521000000000, 0.0022705400000000 ] - [ -0.0015255400000000, -0.0018330000000000, -0.0024939000000000 ] - [ 0.0007564700000000, -0.0000925500000000, 0.0026045100000000 ] - [ 0.0006185000000000, -0.0005802100000000, -0.0023749400000000 ] - [ 0.0013749600000000, 0.0007735800000000, -0.0018610000000000 ] - [ 0.0003949800000000, -0.0010153300000000, 0.0012102600000000 ] - [ 0.0028744200000000, -0.0018908800000000, -0.0034863600000000 ] - [ -0.0031605200000000, 0.0029373500000000, 0.0036463900000000 ] - [ 0.0005745900000000, -0.0001451000000000, 0.0016514100000000 ] - [ -0.0003896000000000, 0.0007316500000000, -0.0010129700000000 ] - [ -0.0014453900000000, -0.0012720200000000, -0.0020219400000000 ] - [ 0.0001064200000000, 0.0003270600000000, 0.0011938200000000 ] - [ -0.0022759500000000, -0.0007431300000000, 0.0038641500000000 ] - [ 0.0025854100000000, 0.0032339900000000, -0.0033475000000000 ] - [ 0.0006875000000000, -0.0011481000000000, 0.0028802000000000 ] - [ 0.0007176800000000, 0.0008395000000000, -0.0021331200000000 ] - [ -0.0058640200000000, -0.0019478100000000, -0.0124649200000000 ] - [ 0.0018533300000000, 0.0050613600000000, 0.0065544400000000 ] - [ 0.0371978300000000, -0.0193125900000000, -0.0481382500000000 ] - [ -0.0000693200000000, -0.0001472800000000, 0.0058853700000000 ] - [ 0.0000705000000000, -0.0008219400000000, -0.0013589600000000 ] - [ -0.0001390200000000, 0.0004831900000000, 0.0010796400000000 ] - [ -0.0000135100000000, -0.0014693400000000, -0.0004003300000000 ] - [ -0.0000267500000000, -0.0002292100000000, 0.0007575200000000 ] - [ -0.0047218600000000, 0.0018392900000000, -0.0026482200000000 ] - [ 0.0025239800000000, -0.0007867000000000, 0.0028838900000000 ] - [ 0.0021750900000000, -0.0006577300000000, 0.0072260600000000 ] - [ -0.0004759500000000, 0.0001907800000000, -0.0025261600000000 ] - [ 0.0013454900000000, -0.0029170600000000, -0.0019214800000000 ] - [ 0.0012814900000000, 0.0046154700000000, -0.0031455500000000 ] - [ -0.0334612700000000, 0.0086741900000000, 0.0993231700000000 ] - [ -0.0002234500000000, 0.0001133100000000, -0.0034883900000000 ] - [ 0.0000184800000000, 0.0003311500000000, 0.0001360700000000 ] - [ 0.0000475500000000, 0.0006211000000000, 0.0001433500000000 ] - [ 0.0014182800000000, -0.0017802800000000, 0.0069570300000000 ] - [ 0.0000283700000000, 0.0000393600000000, -0.0023336400000000 ] - [ -0.0058836900000000, 0.0025741600000000, -0.0095615400000000 ] - [ 0.0093141100000000, -0.0049839000000000, -0.0150263100000000 ] - [ -0.0000400800000000, -0.0000370000000000, 0.0009901600000000 ] - [ -0.0001428000000000, 0.0000033700000000, -0.0009969800000000 ] - [ -0.0021500200000000, 0.0022586900000000, -0.0002018300000000 ] - [ 0.0001825700000000, -0.0016605700000000, 0.0000628800000000 ] - [ -0.0001371800000000, -0.0010350000000000, 0.0083168300000000 ] - [ 0.0002389500000000, 0.0000374200000000, -0.0032404300000000 ] - [ -0.0002183100000000, 0.0002279600000000, 0.0000386300000000 ] - [ 0.0001375100000000, 0.0000711000000000, 0.0000439500000000 ] - [ -0.0041250200000000, -0.0027171500000000, -0.0039815300000000 ] - [ 0.0009087200000000, 0.0010508000000000, 0.0002822500000000 ] - [ -0.0017229000000000, -0.0012446100000000, 0.0030191800000000 ] - [ 0.0003821300000000, 0.0004812600000000, -0.0018361900000000 ] - [ -0.0000953600000000, 0.0000302800000000, 0.0015281900000000 ] - [ 0.0010334800000000, -0.0003429300000000, -0.0022686300000000 ] - [ 0.0005166800000000, 0.0001708200000000, -0.0001286400000000 ] - [ 0.0001563100000000, -0.0007976600000000, 0.0002708000000000 ] - [ -0.0001582400000000, 0.0002779900000000, 0.0008281000000000 ] - [ -0.0002208700000000, 0.0001506200000000, -0.0006727700000000 ] - [ 0.0006667800000000, -0.0000115700000000, 0.0003810100000000 ] - [ -0.0005010000000000, -0.0000493500000000, 0.0003986100000000 ] - [ -0.0023537000000000, 0.0025997200000000, 0.0027103800000000 ] - [ -0.0000011700000000, -0.0000173600000000, -0.0009711000000000 ] - [ -0.0000239400000000, 0.0003174700000000, -0.0000417300000000 ] - [ -0.0001404700000000, 0.0004839700000000, 0.0000381400000000 ] - [ -0.0000355400000000, -0.0012533600000000, 0.0047587800000000 ] - [ -0.0002358300000000, -0.0000659100000000, -0.0030625400000000 ] - [ 0.0006430800000000, -0.0012396700000000, 0.0004599400000000 ] - [ -0.0023289100000000, 0.0010787700000000, -0.0020378000000000 ] - [ 0.0001211000000000, 0.0003637000000000, 0.0008212600000000 ] - [ 0.0002642600000000, 0.0005037700000000, -0.0010009500000000 ] - [ 0.0065406100000000, -0.0004546900000000, -0.0069240400000000 ] - [ -0.0055296600000000, -0.0013505100000000, -0.0069777700000000 ] - [ 0.0055276800000000, 0.0047026600000000, -0.0042944800000000 ] - [ -0.0005128300000000, -0.0016591300000000, 0.0004682200000000 ] - [ 0.0021018100000000, 0.0016302400000000, 0.0052051400000000 ] - [ -0.0007107800000000, -0.0006484700000000, -0.0026919800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002764500000000, -0.0005619300000000, 0.0008651900000000 ] - [ -0.0007080700000000, -0.0005068500000000, -0.0005281300000000 ] - [ 0.0000404300000000, 0.0008664300000000, 0.0006591900000000 ] - [ -0.0028929200000000, 0.0026475300000000, -0.0022301200000000 ] - [ 0.0054300700000000, 0.0000215500000000, -0.0000400200000000 ] - [ 0.0006038100000000, 0.0000179400000000, -0.0000566800000000 ] - [ 0.0005696800000000, -0.0000053600000000, -0.0000488400000000 ] - [ 0.0019808400000000, -0.0000002200000000, -0.0000538900000000 ] - [ 0.0000248500000000, -0.0006101200000000, -0.0007522300000000 ] - [ -0.0028946800000000, -0.0023779800000000, 0.0021314900000000 ] - [ -0.0002864100000000, 0.0003179800000000, -0.0009587400000000 ] - [ -0.0007278500000000, 0.0002617400000000, 0.0004427600000000 ] - [ 0.0011244700000000, -0.0037266700000000, -0.0120595600000000 ] - [ 0.0009267200000000, -0.0010620900000000, 0.0030249400000000 ] - [ 0.0009997800000000, 0.0006987700000000, -0.0007561800000000 ] - [ 0.0037886600000000, 0.0094173400000000, 0.0038141000000000 ] - [ -0.0069754200000000, 0.0000209300000000, -0.0000712100000000 ] - [ -0.0024515300000000, 0.0000087200000000, -0.0000384300000000 ] - [ -0.0028005000000000, -0.0000084500000000, -0.0000547000000000 ] - [ -0.0090354800000000, -0.0000303500000000, -0.0000257000000000 ] - [ 0.0009510800000000, -0.0004412800000000, 0.0006710600000000 ] - [ 0.0034293900000000, -0.0094119400000000, -0.0040289700000000 ] - [ 0.0007587900000000, 0.0035102200000000, 0.0122316100000000 ] - [ 0.0008604700000000, 0.0007813400000000, -0.0031061800000000 ] - [ 0.0261663000000000, -0.0003576100000000, 0.0000613000000000 ] - [ 0.0004837500000000, -0.0001081300000000, -0.0000148000000000 ] - [ 0.0016385400000000, 0.0000948800000000, -0.0000172200000000 ] - [ 0.0015826800000000, 0.0000946600000000, -0.0000128600000000 ] - [ -0.0027238900000000, -0.0000988000000000, -0.0000138200000000 ] - [ -0.0002923200000000, -0.0001065800000000, -0.0000196900000000 ] - [ -0.0033941000000000, 0.0001048900000000, -0.0000155100000000 ] - [ -0.0009588900000000, 0.0001065700000000, -0.0000168500000000 ] - [ -0.0007294500000000, -0.0014667300000000, -0.0002487000000000 ] - [ -0.0003001200000000, -0.0000075700000000, 0.0000243900000000 ] - [ -0.0006839300000000, -0.0000501400000000, -0.0000667100000000 ] - [ -0.0005050600000000, -0.0002120800000000, 0.0004099100000000 ] - [ 0.0023407100000000, -0.0172096200000000, -0.0014217900000000 ] - [ -0.0003845500000000, -0.0001762400000000, 0.0000001800000000 ] - [ -0.0004888200000000, 0.0001036200000000, -0.0001548600000000 ] - [ -0.0015806000000000, 0.0018781200000000, 0.0021771200000000 ] - [ -0.0587908400000000, 0.0005273300000000, -0.0001861100000000 ] - [ -0.0003956400000000, 0.0001246600000000, 0.0001143700000000 ] - [ -0.0036272000000000, 0.0000198800000000, 0.0000140700000000 ] - [ -0.0045319000000000, -0.0000017100000000, 0.0000683200000000 ] - [ -0.0050187000000000, -0.0000010200000000, 0.0000319400000000 ] - [ -0.0005286000000000, -0.0000180800000000, 0.0000255800000000 ] - [ -0.0047382700000000, -0.0001020400000000, 0.0000746000000000 ] - [ -0.0047382300000000, -0.0000978200000000, 0.0001500800000000 ] - [ 0.0023822600000000, 0.0171426000000000, 0.0014886600000000 ] - [ -0.0002754800000000, 0.0000672700000000, 0.0000561500000000 ] - [ -0.0003819700000000, 0.0000094100000000, 0.0002081000000000 ] - [ -0.0014792900000000, -0.0017839000000000, -0.0021444800000000 ] - [ -0.0005877300000000, -0.0001323000000000, 0.0000288400000000 ] - [ -0.0004071500000000, 0.0000234200000000, -0.0004441200000000 ] - [ -0.0006330700000000, 0.0016369100000000, 0.0002113500000000 ] - [ -0.0002046500000000, 0.0001828000000000, -0.0000598300000000 ] - [ 0.0178032000000000, -0.0020574300000000, 0.0019026600000000 ] - [ 0.0003138400000000, 0.0001169900000000, -0.0002496000000000 ] - [ 0.0023418600000000, -0.0025535200000000, 0.0024616900000000 ] - [ 0.0032764100000000, 0.0009736700000000, -0.0034391200000000 ] - [ 0.0028750400000000, -0.0028953800000000, 0.0023792100000000 ] - [ 0.0002057600000000, -0.0000615800000000, 0.0000254700000000 ] - [ 0.0038000500000000, 0.0034762400000000, 0.0023604000000000 ] - [ 0.0009103300000000, 0.0002972600000000, -0.0006210800000000 ] - [ 0.0012520100000000, 0.0001199600000000, 0.0001140000000000 ] - [ 0.0002936400000000, 0.0001244200000000, 0.0001155300000000 ] - [ 0.0004453000000000, 0.0000153900000000, 0.0000301100000000 ] - [ 0.0008176000000000, 0.0000179400000000, 0.0000220200000000 ] - [ 0.0023691100000000, -0.0000150100000000, 0.0000246500000000 ] - [ 0.0004631300000000, -0.0000208000000000, 0.0000261800000000 ] - [ 0.0009850900000000, -0.0001245600000000, 0.0001152600000000 ] - [ 0.0009850800000000, -0.0001263100000000, 0.0001168300000000 ] - [ 0.0029841200000000, 0.0027639500000000, -0.0023137100000000 ] - [ 0.0003258700000000, -0.0000478700000000, 0.0000248500000000 ] - [ 0.0039042100000000, -0.0033453900000000, -0.0023043600000000 ] - [ 0.0010367600000000, -0.0001779600000000, 0.0006700000000000 ] - [ 0.0024542300000000, 0.0023734000000000, -0.0024814700000000 ] - [ 0.0033726200000000, -0.0011473800000000, 0.0033690300000000 ] - [ 0.0177076400000000, 0.0022142100000000, -0.0018990500000000 ] - [ 0.0004236000000000, 0.0000659100000000, 0.0002121100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000250800000000, -0.0037893600000000, 0.0004257100000000 ] - [ -0.0004180800000000, -0.0028488100000000, -0.0005913600000000 ] - [ 0.0001795800000000, -0.0008175200000000, -0.0007528900000000 ] - [ 0.0037314300000000, -0.0048432800000000, 0.0037735200000000 ] - [ 0.0000000000000000, -0.0076222900000000, -0.0057205300000000 ] - [ 0.0000000000000000, -0.0027358300000000, 0.0017634200000000 ] - [ 0.0000000000000000, -0.0024360300000000, -0.0000359700000000 ] - [ 0.0000000000000000, -0.0075942800000000, -0.0012313800000000 ] - [ -0.0001795800000000, -0.0008175200000000, -0.0007528900000000 ] - [ -0.0037314300000000, -0.0048432800000000, 0.0037735200000000 ] - [ -0.0000250800000000, -0.0037893600000000, 0.0004257100000000 ] - [ 0.0004180800000000, -0.0028488100000000, -0.0005913600000000 ] - [ -0.0059898900000000, 0.0139428400000000, -0.0054481100000000 ] - [ -0.0016240100000000, 0.0051868100000000, 0.0009583900000000 ] - [ 0.0018775500000000, 0.0009740700000000, 0.0001782500000000 ] - [ 0.0091523900000000, 0.0050493100000000, -0.0029429300000000 ] - [ 0.0000000000000000, 0.0011800400000000, 0.0023934500000000 ] - [ 0.0000000000000000, -0.0001718500000000, -0.0018823800000000 ] - [ 0.0000000000000000, 0.0014922400000000, -0.0010727400000000 ] - [ 0.0000000000000000, 0.0044084600000000, 0.0007693100000000 ] - [ -0.0018775500000000, 0.0009740700000000, 0.0001782500000000 ] - [ -0.0091523900000000, 0.0050493100000000, -0.0029429300000000 ] - [ 0.0059898900000000, 0.0139428400000000, -0.0054481100000000 ] - [ 0.0016240100000000, 0.0051868100000000, 0.0009583900000000 ] - [ 0.0000000000000000, 0.1116058000000000, -0.0319639300000000 ] - [ 0.0000000000000000, 0.0016132100000000, -0.0016196800000000 ] - [ 0.0000000000000000, -0.0031121900000000, 0.0083622000000000 ] - [ 0.0000000000000000, -0.0014258000000000, -0.0017956800000000 ] - [ 0.0000000000000000, -0.0027692000000000, -0.0008864500000000 ] - [ 0.0000000000000000, -0.0008118700000000, -0.0001267400000000 ] - [ 0.0000000000000000, -0.0004363200000000, -0.0010799300000000 ] - [ 0.0000000000000000, 0.0000604000000000, 0.0003271300000000 ] - [ 0.0001209200000000, 0.0049193000000000, -0.0001761700000000 ] - [ -0.0002666000000000, 0.0011430100000000, 0.0000270800000000 ] - [ -0.0009540800000000, 0.0016943500000000, 0.0009493600000000 ] - [ 0.0006265400000000, 0.0023518300000000, -0.0007497900000000 ] - [ -0.0140721100000000, 0.0209950600000000, 0.0020113600000000 ] - [ -0.0004230600000000, -0.0004273200000000, 0.0001058400000000 ] - [ 0.0008508600000000, 0.0012049100000000, -0.0014975300000000 ] - [ 0.0001284300000000, 0.0030719600000000, 0.0024092100000000 ] - [ 0.0000000000000000, -0.1902270800000000, 0.0434794200000000 ] - [ 0.0000000000000000, -0.0017642100000000, 0.0003401400000000 ] - [ 0.0000000000000000, -0.0006551800000000, 0.0038927100000000 ] - [ 0.0000000000000000, 0.0016851500000000, -0.0098783300000000 ] - [ 0.0000000000000000, 0.0196294600000000, -0.0021543000000000 ] - [ 0.0000000000000000, 0.0006046700000000, 0.0011959700000000 ] - [ 0.0000000000000000, -0.0011431400000000, -0.0087243300000000 ] - [ 0.0000000000000000, -0.0011496100000000, 0.0090301800000000 ] - [ 0.0140721100000000, 0.0209950600000000, 0.0020113600000000 ] - [ 0.0004230600000000, -0.0004273200000000, 0.0001058400000000 ] - [ -0.0008508600000000, 0.0012049100000000, -0.0014975300000000 ] - [ -0.0001284300000000, 0.0030719600000000, 0.0024092100000000 ] - [ 0.0009540800000000, 0.0016943500000000, 0.0009493600000000 ] - [ -0.0006265400000000, 0.0023518300000000, -0.0007497900000000 ] - [ -0.0001209200000000, 0.0049193000000000, -0.0001761700000000 ] - [ 0.0002666000000000, 0.0011430100000000, 0.0000270800000000 ] - [ -0.0019732300000000, -0.0051814100000000, -0.0020281800000000 ] - [ -0.0000987500000000, -0.0009923400000000, 0.0003573300000000 ] - [ 0.0006227300000000, -0.0024542300000000, 0.0006301800000000 ] - [ -0.0021412700000000, -0.0035497200000000, 0.0026786900000000 ] - [ -0.0024574800000000, 0.0027444100000000, -0.0024341600000000 ] - [ -0.0003279000000000, 0.0004510500000000, 0.0001681300000000 ] - [ 0.0007724600000000, 0.0001384800000000, 0.0012232300000000 ] - [ 0.0007467700000000, -0.0012188500000000, -0.0010928700000000 ] - [ 0.0000000000000000, 0.0025753700000000, 0.0006514700000000 ] - [ 0.0000000000000000, 0.0009505000000000, 0.0003144000000000 ] - [ 0.0000000000000000, 0.0006174000000000, -0.0003038300000000 ] - [ 0.0000000000000000, 0.0010288500000000, 0.0006865600000000 ] - [ 0.0000000000000000, -0.0004840100000000, -0.0001336700000000 ] - [ 0.0000000000000000, -0.0000986700000000, -0.0000559900000000 ] - [ 0.0000000000000000, 0.0008459700000000, 0.0002429000000000 ] - [ 0.0000000000000000, 0.0008509200000000, -0.0011480100000000 ] - [ 0.0024574800000000, 0.0027444100000000, -0.0024341600000000 ] - [ 0.0003279000000000, 0.0004510500000000, 0.0001681300000000 ] - [ -0.0007724600000000, 0.0001384800000000, 0.0012232300000000 ] - [ -0.0007467700000000, -0.0012188500000000, -0.0010928700000000 ] - [ -0.0006227300000000, -0.0024542300000000, 0.0006301800000000 ] - [ 0.0021412700000000, -0.0035497200000000, 0.0026786900000000 ] - [ 0.0019732300000000, -0.0051814100000000, -0.0020281800000000 ] - [ 0.0000987500000000, -0.0009923400000000, 0.0003573300000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000095300000000, 0.0035345400000000, -0.0005307200000000 ] - [ 0.0004450100000000, 0.0025935500000000, 0.0005131900000000 ] - [ -0.0001508000000000, 0.0010898600000000, 0.0006688100000000 ] - [ -0.0036971800000000, 0.0051040600000000, -0.0038517100000000 ] - [ 0.0000000000000000, 0.0076375900000000, 0.0055912900000000 ] - [ 0.0000000000000000, 0.0027637300000000, -0.0018561200000000 ] - [ 0.0000000000000000, 0.0024250900000000, -0.0000661700000000 ] - [ 0.0000000000000000, 0.0076125300000000, 0.0011584600000000 ] - [ 0.0001508000000000, 0.0010898600000000, 0.0006688100000000 ] - [ 0.0036971800000000, 0.0051040600000000, -0.0038517100000000 ] - [ -0.0000095300000000, 0.0035345400000000, -0.0005307200000000 ] - [ -0.0004450100000000, 0.0025935500000000, 0.0005131900000000 ] - [ 0.0060919600000000, -0.0141187200000000, 0.0054153900000000 ] - [ 0.0016610000000000, -0.0054455500000000, -0.0010574100000000 ] - [ -0.0018536100000000, -0.0007309400000000, -0.0002549100000000 ] - [ -0.0088921600000000, -0.0051315600000000, 0.0027019500000000 ] - [ 0.0000000000000000, -0.0012058200000000, -0.0024912100000000 ] - [ 0.0000000000000000, 0.0001778400000000, 0.0017947800000000 ] - [ 0.0000000000000000, -0.0015044200000000, 0.0009926700000000 ] - [ 0.0000000000000000, -0.0044008800000000, -0.0008996700000000 ] - [ 0.0018536100000000, -0.0007309400000000, -0.0002549100000000 ] - [ 0.0088921600000000, -0.0051315600000000, 0.0027019500000000 ] - [ -0.0060919600000000, -0.0141187200000000, 0.0054153900000000 ] - [ -0.0016610000000000, -0.0054455500000000, -0.0010574100000000 ] - [ 0.0000000000000000, -0.1050138600000000, 0.0287624400000000 ] - [ 0.0000000000000000, -0.0018280500000000, 0.0015970100000000 ] - [ 0.0000000000000000, 0.0033111500000000, -0.0084755000000000 ] - [ 0.0000000000000000, 0.0016258500000000, 0.0017746100000000 ] - [ 0.0000000000000000, 0.0025550400000000, 0.0008530300000000 ] - [ 0.0000000000000000, 0.0005946700000000, 0.0000935100000000 ] - [ 0.0000000000000000, 0.0006670000000000, 0.0010225600000000 ] - [ 0.0000000000000000, 0.0001614200000000, -0.0003562100000000 ] - [ -0.0002281100000000, -0.0047437700000000, 0.0001427200000000 ] - [ 0.0001656500000000, -0.0009675000000000, -0.0000675700000000 ] - [ 0.0008487000000000, -0.0018772400000000, -0.0009783700000000 ] - [ -0.0007300000000000, -0.0025375000000000, 0.0007030700000000 ] - [ 0.0137571300000000, -0.0208609400000000, -0.0019324200000000 ] - [ 0.0003074700000000, 0.0003162100000000, -0.0000567700000000 ] - [ -0.0009684100000000, -0.0010860700000000, 0.0015652100000000 ] - [ -0.0002438800000000, -0.0029684400000000, -0.0023734900000000 ] - [ 0.0000000000000000, 0.1838787500000000, -0.0398250500000000 ] - [ 0.0000000000000000, 0.0020162300000000, -0.0001148600000000 ] - [ 0.0000000000000000, 0.0006799100000000, -0.0038492800000000 ] - [ 0.0000000000000000, -0.0016756700000000, 0.0099132300000000 ] - [ 0.0000000000000000, -0.0200096800000000, 0.0022453200000000 ] - [ 0.0000000000000000, -0.0006415600000000, -0.0011502500000000 ] - [ 0.0000000000000000, 0.0009619700000000, 0.0089662200000000 ] - [ 0.0000000000000000, 0.0009555500000000, -0.0088169400000000 ] - [ -0.0137571300000000, -0.0208609400000000, -0.0019324200000000 ] - [ -0.0003074700000000, 0.0003162100000000, -0.0000567700000000 ] - [ 0.0009684100000000, -0.0010860700000000, 0.0015652100000000 ] - [ 0.0002438800000000, -0.0029684400000000, -0.0023734900000000 ] - [ -0.0008487000000000, -0.0018772400000000, -0.0009783700000000 ] - [ 0.0007300000000000, -0.0025375000000000, 0.0007030700000000 ] - [ 0.0002281100000000, -0.0047437700000000, 0.0001427200000000 ] - [ -0.0001656500000000, -0.0009675000000000, -0.0000675700000000 ] - [ 0.0018111300000000, 0.0054035000000000, 0.0019999000000000 ] - [ -0.0000019300000000, 0.0011747300000000, -0.0004021200000000 ] - [ -0.0007312100000000, 0.0022885900000000, -0.0006808700000000 ] - [ 0.0020490300000000, 0.0033982400000000, -0.0027267900000000 ] - [ 0.0023525200000000, -0.0028540800000000, 0.0025018800000000 ] - [ 0.0002112600000000, -0.0005548100000000, -0.0001196600000000 ] - [ -0.0009089000000000, -0.0000658100000000, -0.0011841900000000 ] - [ -0.0008627200000000, 0.0013206800000000, 0.0011418500000000 ] - [ 0.0000000000000000, -0.0023242500000000, -0.0004183800000000 ] - [ 0.0000000000000000, -0.0007007500000000, -0.0000886000000000 ] - [ 0.0000000000000000, -0.0005648700000000, 0.0003554600000000 ] - [ 0.0000000000000000, -0.0009841200000000, -0.0006401800000000 ] - [ 0.0000000000000000, 0.0004304000000000, 0.0001927600000000 ] - [ 0.0000000000000000, 0.0000504500000000, 0.0001000800000000 ] - [ 0.0000000000000000, -0.0011091100000000, -0.0000082900000000 ] - [ 0.0000000000000000, -0.0011042200000000, 0.0013693100000000 ] - [ -0.0023525200000000, -0.0028540800000000, 0.0025018800000000 ] - [ -0.0002112600000000, -0.0005548100000000, -0.0001196600000000 ] - [ 0.0009089000000000, -0.0000658100000000, -0.0011841900000000 ] - [ 0.0008627200000000, 0.0013206800000000, 0.0011418500000000 ] - [ 0.0007312100000000, 0.0022885900000000, -0.0006808700000000 ] - [ -0.0020490300000000, 0.0033982400000000, -0.0027267900000000 ] - [ -0.0018111300000000, 0.0054035000000000, 0.0019999000000000 ] - [ 0.0000019300000000, 0.0011747300000000, -0.0004021200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004867900000000, -0.0004070300000000, 0.0012261400000000 ] - [ -0.0006090200000000, -0.0006860300000000, -0.0011356400000000 ] - [ -0.0006725600000000, -0.0010503100000000, -0.0020364500000000 ] - [ -0.0003457100000000, 0.0002503700000000, 0.0016313900000000 ] - [ 0.0000000000000000, -0.0022389100000000, 0.0014397900000000 ] - [ 0.0000000000000000, 0.0030882900000000, -0.0027233700000000 ] - [ 0.0000000000000000, 0.0003534500000000, -0.0016697400000000 ] - [ 0.0000000000000000, -0.0005940400000000, 0.0017890500000000 ] - [ 0.0006725600000000, -0.0010503100000000, -0.0020364500000000 ] - [ 0.0003457100000000, 0.0002503700000000, 0.0016313900000000 ] - [ -0.0004867900000000, -0.0004070300000000, 0.0012261400000000 ] - [ 0.0006090200000000, -0.0006860300000000, -0.0011356400000000 ] - [ -0.0101449200000000, -0.0039705400000000, 0.0012957400000000 ] - [ 0.0051188100000000, 0.0006170600000000, -0.0065016900000000 ] - [ -0.0014988700000000, 0.0015240000000000, -0.0050876000000000 ] - [ 0.0054107200000000, -0.0029889100000000, 0.0120649200000000 ] - [ 0.0000000000000000, 0.0024021800000000, 0.0022321200000000 ] - [ 0.0000000000000000, -0.0007038200000000, -0.0023944500000000 ] - [ 0.0000000000000000, 0.0004402700000000, -0.0035969900000000 ] - [ 0.0000000000000000, 0.0003217400000000, 0.0035230400000000 ] - [ 0.0014988700000000, 0.0015240000000000, -0.0050876000000000 ] - [ -0.0054107200000000, -0.0029889100000000, 0.0120649200000000 ] - [ 0.0101449200000000, -0.0039705400000000, 0.0012957400000000 ] - [ -0.0051188100000000, 0.0006170600000000, -0.0065016900000000 ] - [ 0.0000000000000000, -0.0316793600000000, 0.0369228300000000 ] - [ 0.0000000000000000, -0.0002992000000000, -0.0042571900000000 ] - [ 0.0000000000000000, 0.0075129100000000, 0.0016193200000000 ] - [ 0.0000000000000000, -0.0052139500000000, -0.0022376900000000 ] - [ 0.0000000000000000, -0.0008505400000000, 0.0000060800000000 ] - [ 0.0000000000000000, 0.0000388100000000, -0.0005927400000000 ] - [ 0.0000000000000000, -0.0012999600000000, 0.0021935900000000 ] - [ 0.0000000000000000, 0.0006654600000000, -0.0011980900000000 ] - [ -0.0001404800000000, 0.0003750200000000, -0.0007695100000000 ] - [ 0.0004585700000000, 0.0000122200000000, 0.0010721800000000 ] - [ -0.0000835900000000, 0.0003513500000000, 0.0000996700000000 ] - [ 0.0003962100000000, -0.0003993000000000, -0.0004474800000000 ] - [ -0.0013249800000000, 0.0025625700000000, -0.0068244100000000 ] - [ 0.0001788400000000, -0.0004117600000000, 0.0024804400000000 ] - [ -0.0008644000000000, -0.0017778400000000, 0.0000783200000000 ] - [ 0.0005715500000000, 0.0022712100000000, 0.0003505100000000 ] - [ 0.0000000000000000, 0.0414196800000000, -0.0753091800000000 ] - [ 0.0000000000000000, 0.0003561600000000, 0.0041256100000000 ] - [ 0.0000000000000000, 0.0033967700000000, 0.0042925600000000 ] - [ 0.0000000000000000, -0.0097793700000000, 0.0097811500000000 ] - [ 0.0000000000000000, -0.0024357500000000, -0.0051629700000000 ] - [ 0.0000000000000000, 0.0006429300000000, 0.0033824100000000 ] - [ 0.0000000000000000, -0.0091194600000000, 0.0162588300000000 ] - [ 0.0000000000000000, 0.0086578200000000, 0.0160289300000000 ] - [ 0.0013249800000000, 0.0025625700000000, -0.0068244100000000 ] - [ -0.0001788400000000, -0.0004117600000000, 0.0024804400000000 ] - [ 0.0008644000000000, -0.0017778400000000, 0.0000783200000000 ] - [ -0.0005715500000000, 0.0022712100000000, 0.0003505100000000 ] - [ 0.0000835900000000, 0.0003513500000000, 0.0000996700000000 ] - [ -0.0003962100000000, -0.0003993000000000, -0.0004474800000000 ] - [ 0.0001404800000000, 0.0003750200000000, -0.0007695100000000 ] - [ -0.0004585700000000, 0.0000122200000000, 0.0010721800000000 ] - [ 0.0022801500000000, -0.0019079100000000, -0.0053429100000000 ] - [ -0.0007461900000000, 0.0005845500000000, 0.0026843900000000 ] - [ 0.0022329500000000, -0.0023651400000000, 0.0018994600000000 ] - [ -0.0026098200000000, -0.0002150600000000, 0.0004091900000000 ] - [ -0.0014220300000000, 0.0012066100000000, -0.0025654100000000 ] - [ 0.0002907900000000, -0.0004470500000000, 0.0011160000000000 ] - [ 0.0026145900000000, 0.0038790700000000, 0.0021939400000000 ] - [ -0.0011268900000000, -0.0007074000000000, -0.0003167700000000 ] - [ 0.0000000000000000, 0.0006601400000000, -0.0002831400000000 ] - [ 0.0000000000000000, 0.0003270300000000, 0.0006503300000000 ] - [ 0.0000000000000000, -0.0003103900000000, -0.0001409900000000 ] - [ 0.0000000000000000, 0.0004159600000000, 0.0002081200000000 ] - [ 0.0000000000000000, 0.0001382500000000, -0.0013933100000000 ] - [ 0.0000000000000000, 0.0002004100000000, 0.0013595500000000 ] - [ 0.0000000000000000, 0.0011380500000000, -0.0000048200000000 ] - [ 0.0000000000000000, -0.0002510400000000, 0.0000025700000000 ] - [ 0.0014220300000000, 0.0012066100000000, -0.0025654100000000 ] - [ -0.0002907900000000, -0.0004470500000000, 0.0011160000000000 ] - [ -0.0026145900000000, 0.0038790700000000, 0.0021939400000000 ] - [ 0.0011268900000000, -0.0007074000000000, -0.0003167700000000 ] - [ -0.0022329500000000, -0.0023651400000000, 0.0018994600000000 ] - [ 0.0026098200000000, -0.0002150600000000, 0.0004091900000000 ] - [ -0.0022801500000000, -0.0019079100000000, -0.0053429100000000 ] - [ 0.0007461900000000, 0.0005845500000000, 0.0026843900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004660300000000, 0.0001501200000000, -0.0012973600000000 ] - [ 0.0006316400000000, 0.0004297000000000, 0.0010350100000000 ] - [ 0.0006958600000000, 0.0012945300000000, 0.0019460900000000 ] - [ 0.0003521800000000, 0.0000206300000000, -0.0017464100000000 ] - [ 0.0000000000000000, 0.0022561200000000, -0.0014850000000000 ] - [ 0.0000000000000000, -0.0030953000000000, 0.0026191500000000 ] - [ 0.0000000000000000, -0.0003569500000000, 0.0015774100000000 ] - [ 0.0000000000000000, 0.0005705300000000, -0.0019060200000000 ] - [ -0.0006958600000000, 0.0012945300000000, 0.0019460900000000 ] - [ -0.0003521800000000, 0.0000206300000000, -0.0017464100000000 ] - [ 0.0004660300000000, 0.0001501200000000, -0.0012973600000000 ] - [ -0.0006316400000000, 0.0004297000000000, 0.0010350100000000 ] - [ 0.0103864700000000, 0.0038083200000000, -0.0010254900000000 ] - [ -0.0051268100000000, -0.0008777700000000, 0.0064264000000000 ] - [ 0.0015014000000000, -0.0012532000000000, 0.0049888400000000 ] - [ -0.0052633000000000, 0.0031334400000000, -0.0122527700000000 ] - [ 0.0000000000000000, -0.0023929300000000, -0.0022889600000000 ] - [ 0.0000000000000000, 0.0007178900000000, 0.0022812900000000 ] - [ 0.0000000000000000, -0.0004516800000000, 0.0034918400000000 ] - [ 0.0000000000000000, -0.0003256500000000, -0.0036467900000000 ] - [ -0.0015014000000000, -0.0012532000000000, 0.0049888400000000 ] - [ 0.0052633000000000, 0.0031334400000000, -0.0122527700000000 ] - [ -0.0103864700000000, 0.0038083200000000, -0.0010254900000000 ] - [ 0.0051268100000000, -0.0008777700000000, 0.0064264000000000 ] - [ 0.0000000000000000, 0.0323699900000000, -0.0369090800000000 ] - [ 0.0000000000000000, 0.0000794600000000, 0.0042072300000000 ] - [ 0.0000000000000000, -0.0072582600000000, -0.0015951500000000 ] - [ 0.0000000000000000, 0.0054510300000000, 0.0021814900000000 ] - [ 0.0000000000000000, 0.0006321200000000, -0.0000473100000000 ] - [ 0.0000000000000000, -0.0002506700000000, 0.0005640600000000 ] - [ 0.0000000000000000, 0.0015065900000000, -0.0022008700000000 ] - [ 0.0000000000000000, -0.0004535400000000, 0.0011568500000000 ] - [ 0.0000424600000000, -0.0002048300000000, 0.0007294700000000 ] - [ -0.0005618800000000, 0.0001709800000000, -0.0011061700000000 ] - [ -0.0000149400000000, -0.0005295300000000, -0.0001472500000000 ] - [ -0.0005004300000000, 0.0002229600000000, 0.0004228800000000 ] - [ 0.0012678900000000, -0.0027830300000000, 0.0068444500000000 ] - [ -0.0002995000000000, 0.0003089800000000, -0.0024228300000000 ] - [ 0.0007433800000000, 0.0018711000000000, -0.0000394700000000 ] - [ -0.0006939000000000, -0.0021611400000000, -0.0002761800000000 ] - [ 0.0000000000000000, -0.0418311400000000, 0.0749702700000000 ] - [ 0.0000000000000000, -0.0000986700000000, -0.0038889200000000 ] - [ 0.0000000000000000, -0.0033133300000000, -0.0042109300000000 ] - [ 0.0000000000000000, 0.0099386800000000, -0.0098068700000000 ] - [ 0.0000000000000000, 0.0024586200000000, 0.0051768000000000 ] - [ 0.0000000000000000, -0.0007048100000000, -0.0033319900000000 ] - [ 0.0000000000000000, 0.0087292600000000, -0.0157829800000000 ] - [ 0.0000000000000000, -0.0090342800000000, -0.0160127600000000 ] - [ -0.0012678900000000, -0.0027830300000000, 0.0068444500000000 ] - [ 0.0002995000000000, 0.0003089800000000, -0.0024228300000000 ] - [ -0.0007433800000000, 0.0018711000000000, -0.0000394700000000 ] - [ 0.0006939000000000, -0.0021611400000000, -0.0002761800000000 ] - [ 0.0000149400000000, -0.0005295300000000, -0.0001472500000000 ] - [ 0.0005004300000000, 0.0002229600000000, 0.0004228800000000 ] - [ -0.0000424600000000, -0.0002048300000000, 0.0007294700000000 ] - [ 0.0005618800000000, 0.0001709800000000, -0.0011061700000000 ] - [ -0.0024322900000000, 0.0020881100000000, 0.0052641200000000 ] - [ 0.0006502000000000, -0.0004047400000000, -0.0027142000000000 ] - [ -0.0023161300000000, 0.0021669500000000, -0.0019356300000000 ] - [ 0.0025115800000000, 0.0000199500000000, -0.0004256500000000 ] - [ 0.0013030800000000, -0.0013111000000000, 0.0026155500000000 ] - [ -0.0004028100000000, 0.0003315100000000, -0.0010577800000000 ] - [ -0.0027062200000000, -0.0037316200000000, -0.0021273000000000 ] - [ 0.0010170300000000, 0.0008207300000000, 0.0003813400000000 ] - [ 0.0000000000000000, -0.0004094700000000, 0.0005104100000000 ] - [ 0.0000000000000000, -0.0000758000000000, -0.0004178800000000 ] - [ 0.0000000000000000, 0.0003540100000000, 0.0001839800000000 ] - [ 0.0000000000000000, -0.0003730300000000, -0.0001494800000000 ] - [ 0.0000000000000000, -0.0001824100000000, 0.0014368500000000 ] - [ 0.0000000000000000, -0.0002397400000000, -0.0013013100000000 ] - [ 0.0000000000000000, -0.0013790800000000, 0.0002289700000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0002363100000000 ] - [ -0.0013030800000000, -0.0013111000000000, 0.0026155500000000 ] - [ 0.0004028100000000, 0.0003315100000000, -0.0010577800000000 ] - [ 0.0027062200000000, -0.0037316200000000, -0.0021273000000000 ] - [ -0.0010170300000000, 0.0008207300000000, 0.0003813400000000 ] - [ 0.0023161300000000, 0.0021669500000000, -0.0019356300000000 ] - [ -0.0025115800000000, 0.0000199500000000, -0.0004256500000000 ] - [ 0.0024322900000000, 0.0020881100000000, 0.0052641200000000 ] - [ -0.0006502000000000, -0.0004047400000000, -0.0027142000000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008016900000000, 0.0004721000000000, -0.0007265200000000 ] - [ -0.0003983200000000, 0.0000798600000000, 0.0001939100000000 ] - [ -0.0042359800000000, 0.0052651600000000, 0.0029952300000000 ] - [ -0.0012120100000000, 0.0016134200000000, -0.0008449900000000 ] - [ 0.0127859600000000, 0.0000143400000000, -0.0000775200000000 ] - [ 0.0035368700000000, 0.0000163200000000, -0.0000382200000000 ] - [ 0.0022072300000000, 0.0000019000000000, -0.0000454600000000 ] - [ 0.0004357800000000, -0.0000019300000000, -0.0000534400000000 ] - [ -0.0042201600000000, -0.0050320700000000, -0.0031189400000000 ] - [ -0.0012220400000000, -0.0013691700000000, 0.0007584000000000 ] - [ -0.0008041300000000, -0.0007202500000000, 0.0006345000000000 ] - [ -0.0004140100000000, -0.0003340700000000, -0.0002831000000000 ] - [ 0.0118174400000000, -0.0008577700000000, -0.0003501500000000 ] - [ 0.0002368800000000, 0.0016368200000000, -0.0013123400000000 ] - [ 0.0012068400000000, 0.0019901300000000, -0.0014423100000000 ] - [ 0.0017618100000000, 0.0015140000000000, 0.0011502300000000 ] - [ -0.0046025400000000, 0.0000234500000000, -0.0000511400000000 ] - [ -0.0010793700000000, 0.0000091700000000, -0.0000484800000000 ] - [ -0.0067174700000000, 0.0000032700000000, -0.0000759200000000 ] - [ -0.0039850300000000, -0.0000149600000000, -0.0000317400000000 ] - [ 0.0011530400000000, -0.0017217600000000, 0.0013314600000000 ] - [ 0.0017266000000000, -0.0012350600000000, -0.0012235100000000 ] - [ 0.0111676100000000, 0.0000186700000000, -0.0002703600000000 ] - [ 0.0001896100000000, -0.0019114400000000, 0.0012473800000000 ] - [ 0.0041440900000000, -0.0001137800000000, -0.0000099400000000 ] - [ 0.0222806500000000, -0.0000768500000000, -0.0002945400000000 ] - [ 0.0004503400000000, 0.0001079300000000, -0.0000188600000000 ] - [ 0.0002786700000000, 0.0001045100000000, -0.0000119900000000 ] - [ -0.0005236000000000, -0.0001032000000000, -0.0000126900000000 ] - [ -0.0004465900000000, -0.0001049700000000, -0.0000163000000000 ] - [ -0.0073398100000000, 0.0000863700000000, 0.0000004000000000 ] - [ -0.0010869300000000, 0.0001063200000000, -0.0000146900000000 ] - [ -0.0012131800000000, 0.0000660200000000, -0.0003587800000000 ] - [ -0.0007681600000000, -0.0009650900000000, -0.0006332600000000 ] - [ -0.0002655700000000, -0.0039147100000000, 0.0005136200000000 ] - [ -0.0004156800000000, -0.0002313900000000, 0.0001125300000000 ] - [ -0.0010702600000000, -0.0023957800000000, 0.0059461000000000 ] - [ -0.0001797900000000, -0.0016670200000000, -0.0092327700000000 ] - [ -0.0005116900000000, -0.0003237500000000, 0.0000659300000000 ] - [ -0.0002251100000000, 0.0001979500000000, 0.0001672300000000 ] - [ -0.0036274400000000, 0.0001263200000000, 0.0001063000000000 ] - [ -0.0045321300000000, 0.0001504300000000, 0.0000865500000000 ] - [ -0.0790864700000000, 0.0005382900000000, 0.0009395900000000 ] - [ -0.0014260600000000, 0.0000239300000000, 0.0000212900000000 ] - [ -0.0004595200000000, -0.0000253800000000, 0.0000305700000000 ] - [ -0.0004595100000000, -0.0000211100000000, 0.0000285500000000 ] - [ -0.0050189000000000, -0.0000991000000000, 0.0001306800000000 ] - [ -0.0005287800000000, -0.0001249200000000, 0.0001064100000000 ] - [ -0.0009807900000000, 0.0023171400000000, -0.0059122300000000 ] - [ -0.0001063800000000, 0.0015600700000000, 0.0092789000000000 ] - [ -0.0004057400000000, 0.0004291200000000, -0.0000142700000000 ] - [ -0.0001162400000000, -0.0000934700000000, -0.0001200300000000 ] - [ -0.0001966300000000, 0.0037273400000000, -0.0005583800000000 ] - [ -0.0003208900000000, 0.0000536500000000, -0.0001518000000000 ] - [ -0.0011440900000000, 0.0000981500000000, 0.0003395300000000 ] - [ -0.0006772700000000, 0.0011376200000000, 0.0005932600000000 ] - [ 0.0076484500000000, -0.0053919500000000, -0.0078926600000000 ] - [ 0.0006714900000000, -0.0001852900000000, 0.0002982700000000 ] - [ 0.0035200200000000, -0.0036175900000000, 0.0021937600000000 ] - [ 0.0004789100000000, -0.0002611800000000, -0.0006374600000000 ] - [ 0.0002451900000000, -0.0005698500000000, 0.0000497500000000 ] - [ 0.0002017900000000, -0.0002157000000000, 0.0001657700000000 ] - [ 0.0155243700000000, 0.0023400500000000, 0.0000807900000000 ] - [ 0.0008070400000000, -0.0000454600000000, 0.0002538800000000 ] - [ 0.0004451100000000, 0.0001279200000000, 0.0001146400000000 ] - [ 0.0008174500000000, 0.0001277700000000, 0.0001154900000000 ] - [ 0.0004407700000000, 0.0000174700000000, 0.0000288600000000 ] - [ 0.0002560200000000, 0.0000206600000000, 0.0000268100000000 ] - [ 0.0019072200000000, -0.0000156200000000, 0.0000169200000000 ] - [ 0.0019071800000000, -0.0000183500000000, 0.0000347800000000 ] - [ 0.0023689600000000, -0.0001149400000000, 0.0001159600000000 ] - [ 0.0004629400000000, -0.0001277400000000, 0.0001150400000000 ] - [ 0.0003606500000000, 0.0004466000000000, 0.0000002300000000 ] - [ 0.0003158700000000, 0.0001030300000000, -0.0001145200000000 ] - [ 0.0154795400000000, -0.0021923600000000, -0.0000170900000000 ] - [ 0.0009259300000000, 0.0001583200000000, -0.0002122700000000 ] - [ 0.0036103100000000, 0.0034087700000000, -0.0022069900000000 ] - [ 0.0005850600000000, 0.0000853000000000, 0.0005870100000000 ] - [ 0.0076803200000000, 0.0055267300000000, 0.0077825800000000 ] - [ 0.0007859300000000, 0.0003626100000000, -0.0003234200000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021046600000000, -0.0046501300000000, 0.0002525700000000 ] - [ 0.0004926700000000, -0.0019191300000000, -0.0002215100000000 ] - [ 0.0053085400000000, 0.0004540600000000, -0.0033730000000000 ] - [ 0.0014381400000000, 0.0016223800000000, 0.0014294500000000 ] - [ 0.0000000000000000, 0.0054910500000000, 0.0041215800000000 ] - [ 0.0000000000000000, -0.0000492100000000, -0.0015848600000000 ] - [ 0.0000000000000000, -0.0058224200000000, -0.0026572400000000 ] - [ 0.0000000000000000, -0.0030318700000000, 0.0019944500000000 ] - [ -0.0053085400000000, 0.0004540600000000, -0.0033730000000000 ] - [ -0.0014381400000000, 0.0016223800000000, 0.0014294500000000 ] - [ -0.0021046600000000, -0.0046501300000000, 0.0002525700000000 ] - [ -0.0004926700000000, -0.0019191300000000, -0.0002215100000000 ] - [ -0.0037867500000000, 0.0137223200000000, 0.0009023400000000 ] - [ 0.0010599700000000, 0.0033690500000000, 0.0009319500000000 ] - [ 0.0031976900000000, -0.0041867400000000, 0.0026930900000000 ] - [ 0.0000163200000000, -0.0021978300000000, -0.0015814000000000 ] - [ 0.0000000000000000, -0.0032084100000000, -0.0000492200000000 ] - [ 0.0000000000000000, -0.0010720400000000, 0.0002179200000000 ] - [ 0.0000000000000000, 0.0034512100000000, 0.0007758900000000 ] - [ 0.0000000000000000, 0.0030427700000000, -0.0022095300000000 ] - [ -0.0031976900000000, -0.0041867400000000, 0.0026930900000000 ] - [ -0.0000163200000000, -0.0021978300000000, -0.0015814000000000 ] - [ 0.0037867500000000, 0.0137223200000000, 0.0009023400000000 ] - [ -0.0010599700000000, 0.0033690500000000, 0.0009319500000000 ] - [ 0.0000000000000000, 0.0036701300000000, 0.0001980000000000 ] - [ 0.0000000000000000, 0.0255271100000000, -0.0155156900000000 ] - [ 0.0000000000000000, -0.0061433400000000, -0.0018463000000000 ] - [ 0.0000000000000000, -0.0013723400000000, 0.0006585900000000 ] - [ 0.0000000000000000, -0.0016386500000000, 0.0000034900000000 ] - [ 0.0000000000000000, -0.0017013100000000, -0.0004079300000000 ] - [ 0.0000000000000000, 0.0013006400000000, 0.0002374000000000 ] - [ 0.0000000000000000, 0.0006746800000000, -0.0005776200000000 ] - [ -0.0046497200000000, 0.0035487500000000, -0.0037352500000000 ] - [ -0.0004119400000000, 0.0008308200000000, 0.0012708500000000 ] - [ -0.0053066800000000, 0.0076600200000000, 0.0016608700000000 ] - [ -0.0002425700000000, 0.0000780400000000, -0.0005336200000000 ] - [ -0.0021478000000000, -0.0044173100000000, -0.0025406200000000 ] - [ -0.0017447300000000, -0.0041738300000000, 0.0049737600000000 ] - [ 0.0012971700000000, 0.0047364500000000, 0.0000093400000000 ] - [ 0.0000372000000000, 0.0014168400000000, 0.0000505800000000 ] - [ 0.0000000000000000, -0.0005385600000000, 0.0034692600000000 ] - [ 0.0000000000000000, 0.0018167500000000, -0.0097234500000000 ] - [ 0.0000000000000000, -0.0802501400000000, 0.0110305300000000 ] - [ 0.0000000000000000, -0.0015152000000000, -0.0000588800000000 ] - [ 0.0000000000000000, 0.0023168500000000, 0.0012251300000000 ] - [ 0.0000000000000000, 0.0023199500000000, -0.0002747900000000 ] - [ 0.0000000000000000, 0.0195459800000000, 0.0025488500000000 ] - [ 0.0000000000000000, 0.0005023200000000, -0.0005617400000000 ] - [ 0.0021478000000000, -0.0044173100000000, -0.0025406200000000 ] - [ 0.0017447300000000, -0.0041738300000000, 0.0049737600000000 ] - [ -0.0012971700000000, 0.0047364500000000, 0.0000093400000000 ] - [ -0.0000372000000000, 0.0014168400000000, 0.0000505800000000 ] - [ 0.0053066800000000, 0.0076600200000000, 0.0016608700000000 ] - [ 0.0002425700000000, 0.0000780400000000, -0.0005336200000000 ] - [ 0.0046497200000000, 0.0035487500000000, -0.0037352500000000 ] - [ 0.0004119400000000, 0.0008308200000000, 0.0012708500000000 ] - [ -0.0035093300000000, 0.0035846500000000, 0.0051966900000000 ] - [ -0.0007655900000000, -0.0005945400000000, -0.0008101700000000 ] - [ -0.0025239800000000, 0.0009257000000000, -0.0013207600000000 ] - [ 0.0000580100000000, -0.0002364000000000, 0.0007703000000000 ] - [ -0.0000223100000000, 0.0023091000000000, -0.0002722300000000 ] - [ -0.0005680300000000, 0.0014563700000000, -0.0004340800000000 ] - [ 0.0010078700000000, -0.0043274600000000, -0.0011880200000000 ] - [ 0.0000577200000000, -0.0013493900000000, -0.0000250200000000 ] - [ 0.0000000000000000, 0.0007146600000000, -0.0002203600000000 ] - [ 0.0000000000000000, 0.0011299000000000, 0.0005104000000000 ] - [ 0.0000000000000000, 0.0019164900000000, 0.0003841000000000 ] - [ 0.0000000000000000, 0.0009170900000000, 0.0000027000000000 ] - [ 0.0000000000000000, -0.0012607400000000, -0.0000620900000000 ] - [ 0.0000000000000000, -0.0012610100000000, 0.0003088600000000 ] - [ 0.0000000000000000, -0.0005931600000000, -0.0000423300000000 ] - [ 0.0000000000000000, -0.0002027200000000, -0.0001073300000000 ] - [ 0.0000223100000000, 0.0023091000000000, -0.0002722300000000 ] - [ 0.0005680300000000, 0.0014563700000000, -0.0004340800000000 ] - [ -0.0010078700000000, -0.0043274600000000, -0.0011880200000000 ] - [ -0.0000577200000000, -0.0013493900000000, -0.0000250200000000 ] - [ 0.0025239800000000, 0.0009257000000000, -0.0013207600000000 ] - [ -0.0000580100000000, -0.0002364000000000, 0.0007703000000000 ] - [ 0.0035093300000000, 0.0035846500000000, 0.0051966900000000 ] - [ 0.0007655900000000, -0.0005945400000000, -0.0008101700000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020575600000000, 0.0043767600000000, -0.0003394000000000 ] - [ -0.0004679500000000, 0.0016632600000000, 0.0001344200000000 ] - [ -0.0052689500000000, -0.0001357900000000, 0.0032460600000000 ] - [ -0.0014036800000000, -0.0013389700000000, -0.0015017500000000 ] - [ 0.0000000000000000, -0.0047278200000000, -0.0047737500000000 ] - [ 0.0000000000000000, 0.0001057700000000, 0.0015110000000000 ] - [ 0.0000000000000000, 0.0057923600000000, 0.0025188300000000 ] - [ 0.0000000000000000, 0.0030098700000000, -0.0020614400000000 ] - [ 0.0052689500000000, -0.0001357900000000, 0.0032460600000000 ] - [ 0.0014036800000000, -0.0013389700000000, -0.0015017500000000 ] - [ 0.0020575600000000, 0.0043767600000000, -0.0003394000000000 ] - [ 0.0004679500000000, 0.0016632600000000, 0.0001344200000000 ] - [ 0.0042398200000000, -0.0141381200000000, -0.0013131100000000 ] - [ -0.0010231500000000, -0.0036492200000000, -0.0009969600000000 ] - [ -0.0031874500000000, 0.0044270500000000, -0.0028080200000000 ] - [ 0.0000022100000000, 0.0024393700000000, 0.0015014300000000 ] - [ 0.0000000000000000, 0.0032006200000000, -0.0000468100000000 ] - [ 0.0000000000000000, 0.0010725600000000, -0.0003149500000000 ] - [ 0.0000000000000000, -0.0034840900000000, -0.0008686900000000 ] - [ 0.0000000000000000, -0.0030518500000000, 0.0021126600000000 ] - [ 0.0031874500000000, 0.0044270500000000, -0.0028080200000000 ] - [ -0.0000022100000000, 0.0024393700000000, 0.0015014300000000 ] - [ -0.0042398200000000, -0.0141381200000000, -0.0013131100000000 ] - [ 0.0010231500000000, -0.0036492200000000, -0.0009969600000000 ] - [ 0.0000000000000000, -0.0038823100000000, -0.0002257800000000 ] - [ 0.0000000000000000, -0.0254952000000000, 0.0150934600000000 ] - [ 0.0000000000000000, 0.0063538200000000, 0.0018216800000000 ] - [ 0.0000000000000000, 0.0015790500000000, -0.0006926500000000 ] - [ 0.0000000000000000, 0.0014179800000000, -0.0000309400000000 ] - [ 0.0000000000000000, 0.0014840700000000, 0.0003650600000000 ] - [ 0.0000000000000000, -0.0010544400000000, -0.0002918600000000 ] - [ 0.0000000000000000, -0.0004513500000000, 0.0005495700000000 ] - [ 0.0044900200000000, -0.0033349200000000, 0.0036574600000000 ] - [ 0.0003078000000000, -0.0006671600000000, -0.0012951900000000 ] - [ 0.0051311000000000, -0.0077648700000000, -0.0016663900000000 ] - [ 0.0001430700000000, -0.0002667500000000, 0.0004832500000000 ] - [ 0.0020254400000000, 0.0042744400000000, 0.0025957800000000 ] - [ 0.0016587400000000, 0.0040222400000000, -0.0049892800000000 ] - [ -0.0014221500000000, -0.0046283600000000, 0.0000492000000000 ] - [ -0.0001539000000000, -0.0013033400000000, -0.0000015900000000 ] - [ 0.0000000000000000, 0.0007963700000000, -0.0032409500000000 ] - [ 0.0000000000000000, -0.0015442300000000, 0.0099938400000000 ] - [ 0.0000000000000000, 0.0798198200000000, -0.0092748500000000 ] - [ 0.0000000000000000, 0.0015599800000000, 0.0000955600000000 ] - [ 0.0000000000000000, -0.0023560700000000, -0.0011885800000000 ] - [ 0.0000000000000000, -0.0023529100000000, 0.0003328700000000 ] - [ 0.0000000000000000, -0.0200936200000000, -0.0023460400000000 ] - [ 0.0000000000000000, -0.0007442100000000, 0.0007861100000000 ] - [ -0.0020254400000000, 0.0042744400000000, 0.0025957800000000 ] - [ -0.0016587400000000, 0.0040222400000000, -0.0049892800000000 ] - [ 0.0014221500000000, -0.0046283600000000, 0.0000492000000000 ] - [ 0.0001539000000000, -0.0013033400000000, -0.0000015900000000 ] - [ -0.0051311000000000, -0.0077648700000000, -0.0016663900000000 ] - [ -0.0001430700000000, -0.0002667500000000, 0.0004832500000000 ] - [ -0.0044900200000000, -0.0033349200000000, 0.0036574600000000 ] - [ -0.0003078000000000, -0.0006671600000000, -0.0012951900000000 ] - [ 0.0034012500000000, -0.0034105100000000, -0.0052270200000000 ] - [ 0.0006627500000000, 0.0007856900000000, 0.0007743300000000 ] - [ 0.0024282900000000, -0.0010925500000000, 0.0012842000000000 ] - [ -0.0001612500000000, 0.0000636000000000, -0.0008103000000000 ] - [ -0.0000917900000000, -0.0024053600000000, 0.0003195300000000 ] - [ 0.0004529200000000, -0.0015616100000000, 0.0004901000000000 ] - [ -0.0011613400000000, 0.0044171800000000, 0.0012554300000000 ] - [ -0.0001766400000000, 0.0014524300000000, 0.0000675500000000 ] - [ 0.0000000000000000, -0.0004677200000000, 0.0004438100000000 ] - [ 0.0000000000000000, -0.0008831600000000, -0.0002788200000000 ] - [ 0.0000000000000000, -0.0018651500000000, -0.0003272200000000 ] - [ 0.0000000000000000, -0.0008706300000000, 0.0000444600000000 ] - [ 0.0000000000000000, 0.0012082000000000, 0.0001214300000000 ] - [ 0.0000000000000000, 0.0012079500000000, -0.0002577700000000 ] - [ 0.0000000000000000, 0.0003211300000000, 0.0002784100000000 ] - [ 0.0000000000000000, -0.0000537300000000, 0.0003329500000000 ] - [ 0.0000917900000000, -0.0024053600000000, 0.0003195300000000 ] - [ -0.0004529200000000, -0.0015616100000000, 0.0004901000000000 ] - [ 0.0011613400000000, 0.0044171800000000, 0.0012554300000000 ] - [ 0.0001766400000000, 0.0014524300000000, 0.0000675500000000 ] - [ -0.0024282900000000, -0.0010925500000000, 0.0012842000000000 ] - [ 0.0001612500000000, 0.0000636000000000, -0.0008103000000000 ] - [ -0.0034012500000000, -0.0034105100000000, -0.0052270200000000 ] - [ -0.0006627500000000, 0.0007856900000000, 0.0007743300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004135700000000, 0.0001482800000000, 0.0020361000000000 ] - [ 0.0003819900000000, -0.0006658900000000, -0.0016131100000000 ] - [ 0.0055664000000000, -0.0049432800000000, 0.0038931500000000 ] - [ -0.0023029000000000, 0.0018305000000000, -0.0038661900000000 ] - [ 0.0000000000000000, 0.0033901800000000, 0.0120876800000000 ] - [ 0.0000000000000000, -0.0060167500000000, -0.0071316000000000 ] - [ 0.0000000000000000, -0.0012246800000000, 0.0019974800000000 ] - [ 0.0000000000000000, 0.0008420600000000, -0.0027479300000000 ] - [ -0.0055664000000000, -0.0049432800000000, 0.0038931500000000 ] - [ 0.0023029000000000, 0.0018305000000000, -0.0038661900000000 ] - [ 0.0004135700000000, 0.0001482800000000, 0.0020361000000000 ] - [ -0.0003819900000000, -0.0006658900000000, -0.0016131100000000 ] - [ -0.0028886500000000, 0.0012446500000000, 0.0137965200000000 ] - [ -0.0037935600000000, 0.0029277000000000, -0.0072368500000000 ] - [ -0.0027428200000000, 0.0031215800000000, 0.0033158400000000 ] - [ -0.0000120300000000, -0.0015818400000000, -0.0029317100000000 ] - [ 0.0000000000000000, -0.0015458100000000, 0.0015182300000000 ] - [ 0.0000000000000000, 0.0005775400000000, -0.0013972500000000 ] - [ 0.0000000000000000, 0.0012358800000000, 0.0034694900000000 ] - [ 0.0000000000000000, 0.0008191500000000, -0.0039575400000000 ] - [ 0.0027428200000000, 0.0031215800000000, 0.0033158400000000 ] - [ 0.0000120300000000, -0.0015818400000000, -0.0029317100000000 ] - [ 0.0028886500000000, 0.0012446500000000, 0.0137965200000000 ] - [ 0.0037935600000000, 0.0029277000000000, -0.0072368500000000 ] - [ 0.0000000000000000, -0.0015678300000000, -0.0079496700000000 ] - [ 0.0000000000000000, -0.0143376300000000, 0.1338848600000000 ] - [ 0.0000000000000000, -0.0005811600000000, 0.0005787100000000 ] - [ 0.0000000000000000, 0.0013060900000000, -0.0013073300000000 ] - [ 0.0000000000000000, 0.0000003800000000, -0.0011588600000000 ] - [ 0.0000000000000000, -0.0005169500000000, 0.0011764100000000 ] - [ 0.0000000000000000, 0.0006730300000000, 0.0011831700000000 ] - [ 0.0000000000000000, -0.0003944900000000, -0.0018099900000000 ] - [ 0.0029437900000000, -0.0027914400000000, 0.0017406300000000 ] - [ -0.0005925500000000, 0.0022952000000000, -0.0000091200000000 ] - [ 0.0009153500000000, 0.0006440400000000, -0.0044134700000000 ] - [ -0.0010006400000000, 0.0003384400000000, 0.0026734600000000 ] - [ 0.0049755100000000, -0.0027224400000000, 0.0096178100000000 ] - [ -0.0084849700000000, 0.0036700400000000, 0.0150754600000000 ] - [ -0.0001035900000000, 0.0001479800000000, -0.0009426600000000 ] - [ -0.0000543400000000, 0.0000679500000000, 0.0010506100000000 ] - [ 0.0000000000000000, 0.0039759200000000, 0.0043534700000000 ] - [ 0.0000000000000000, -0.0098169000000000, 0.0099409600000000 ] - [ 0.0000000000000000, 0.0108477300000000, -0.2131583700000000 ] - [ 0.0000000000000000, -0.0000567600000000, 0.0056202900000000 ] - [ 0.0000000000000000, 0.0002824100000000, -0.0001151800000000 ] - [ 0.0000000000000000, -0.0012323200000000, -0.0001240500000000 ] - [ 0.0000000000000000, 0.0021266600000000, -0.0050477100000000 ] - [ 0.0000000000000000, -0.0013024000000000, 0.0034723700000000 ] - [ -0.0049755100000000, -0.0027224400000000, 0.0096178100000000 ] - [ 0.0084849700000000, 0.0036700400000000, 0.0150754600000000 ] - [ 0.0001035900000000, 0.0001479800000000, -0.0009426600000000 ] - [ 0.0000543400000000, 0.0000679500000000, 0.0010506100000000 ] - [ -0.0009153500000000, 0.0006440400000000, -0.0044134700000000 ] - [ 0.0010006400000000, 0.0003384400000000, 0.0026734600000000 ] - [ -0.0029437900000000, -0.0027914400000000, 0.0017406300000000 ] - [ 0.0005925500000000, 0.0022952000000000, -0.0000091200000000 ] - [ -0.0032397800000000, 0.0031326400000000, 0.0046290400000000 ] - [ 0.0016977400000000, -0.0012149500000000, -0.0004732300000000 ] - [ -0.0009778400000000, 0.0015692500000000, -0.0040795100000000 ] - [ 0.0006815100000000, -0.0007538100000000, 0.0024356000000000 ] - [ -0.0000733200000000, 0.0003410300000000, 0.0000928200000000 ] - [ 0.0001532700000000, -0.0001712700000000, 0.0000136600000000 ] - [ -0.0007329300000000, -0.0012707900000000, -0.0047112300000000 ] - [ 0.0007341400000000, 0.0005359300000000, 0.0031163200000000 ] - [ 0.0000000000000000, -0.0002012300000000, -0.0000438900000000 ] - [ 0.0000000000000000, 0.0007889900000000, 0.0002913600000000 ] - [ 0.0000000000000000, 0.0003773500000000, -0.0009168400000000 ] - [ 0.0000000000000000, 0.0000016800000000, 0.0009639100000000 ] - [ 0.0000000000000000, -0.0003073500000000, -0.0001097300000000 ] - [ 0.0000000000000000, 0.0000705000000000, -0.0001246100000000 ] - [ 0.0000000000000000, 0.0000334100000000, -0.0013012500000000 ] - [ 0.0000000000000000, -0.0000457300000000, 0.0014435700000000 ] - [ 0.0000733200000000, 0.0003410300000000, 0.0000928200000000 ] - [ -0.0001532700000000, -0.0001712700000000, 0.0000136600000000 ] - [ 0.0007329300000000, -0.0012707900000000, -0.0047112300000000 ] - [ -0.0007341400000000, 0.0005359300000000, 0.0031163200000000 ] - [ 0.0009778400000000, 0.0015692500000000, -0.0040795100000000 ] - [ -0.0006815100000000, -0.0007538100000000, 0.0024356000000000 ] - [ 0.0032397800000000, 0.0031326400000000, 0.0046290400000000 ] - [ -0.0016977400000000, -0.0012149500000000, -0.0004732300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004326800000000, -0.0004030700000000, -0.0021398500000000 ] - [ -0.0003562500000000, 0.0004029900000000, 0.0015277600000000 ] - [ -0.0055370800000000, 0.0051921900000000, -0.0039288700000000 ] - [ 0.0023385500000000, -0.0015896200000000, 0.0037734000000000 ] - [ 0.0000000000000000, -0.0029611600000000, -0.0124642000000000 ] - [ 0.0000000000000000, 0.0059999000000000, 0.0070230400000000 ] - [ 0.0000000000000000, 0.0012174800000000, -0.0020697000000000 ] - [ 0.0000000000000000, -0.0008608200000000, 0.0026447500000000 ] - [ 0.0055370800000000, 0.0051921900000000, -0.0039288700000000 ] - [ -0.0023385500000000, -0.0015896200000000, 0.0037734000000000 ] - [ -0.0004326800000000, -0.0004030700000000, -0.0021398500000000 ] - [ 0.0003562500000000, 0.0004029900000000, 0.0015277600000000 ] - [ 0.0032209000000000, -0.0017346600000000, -0.0140371500000000 ] - [ 0.0038013100000000, -0.0031652400000000, 0.0071361100000000 ] - [ 0.0027707500000000, -0.0028524200000000, -0.0033819100000000 ] - [ 0.0000209000000000, 0.0018433300000000, 0.0028310900000000 ] - [ 0.0000000000000000, 0.0015495600000000, -0.0016066000000000 ] - [ 0.0000000000000000, -0.0005632400000000, 0.0012990700000000 ] - [ 0.0000000000000000, -0.0012645500000000, -0.0035349200000000 ] - [ 0.0000000000000000, -0.0008121100000000, 0.0038392800000000 ] - [ -0.0027707500000000, -0.0028524200000000, -0.0033819100000000 ] - [ -0.0000209000000000, 0.0018433300000000, 0.0028310900000000 ] - [ -0.0032209000000000, -0.0017346600000000, -0.0140371500000000 ] - [ -0.0038013100000000, -0.0031652400000000, 0.0071361100000000 ] - [ 0.0000000000000000, 0.0013615800000000, 0.0079482200000000 ] - [ 0.0000000000000000, 0.0127546800000000, -0.1244654800000000 ] - [ 0.0000000000000000, 0.0007798800000000, -0.0006297400000000 ] - [ 0.0000000000000000, -0.0010846600000000, 0.0012742400000000 ] - [ 0.0000000000000000, -0.0002203000000000, 0.0011204000000000 ] - [ 0.0000000000000000, 0.0003023300000000, -0.0012038900000000 ] - [ 0.0000000000000000, -0.0004361800000000, -0.0012478600000000 ] - [ 0.0000000000000000, 0.0006077100000000, 0.0017780300000000 ] - [ -0.0030479200000000, 0.0029768400000000, -0.0017719200000000 ] - [ 0.0004890000000000, -0.0021063500000000, -0.0000386400000000 ] - [ -0.0010015800000000, -0.0008608500000000, 0.0043765200000000 ] - [ 0.0008965800000000, -0.0005107600000000, -0.0027079000000000 ] - [ -0.0051692900000000, 0.0026464800000000, -0.0096669900000000 ] - [ 0.0082696300000000, -0.0037398200000000, -0.0148944300000000 ] - [ -0.0000054200000000, -0.0000349300000000, 0.0009926100000000 ] - [ -0.0000613900000000, 0.0000413100000000, -0.0009963400000000 ] - [ 0.0000000000000000, -0.0037663300000000, -0.0041490000000000 ] - [ 0.0000000000000000, 0.0099748800000000, -0.0096453700000000 ] - [ 0.0000000000000000, -0.0094839700000000, 0.2040064600000000 ] - [ 0.0000000000000000, 0.0000974700000000, -0.0055745500000000 ] - [ 0.0000000000000000, -0.0003250300000000, 0.0001774200000000 ] - [ 0.0000000000000000, 0.0011815500000000, 0.0001685600000000 ] - [ 0.0000000000000000, -0.0022729000000000, 0.0052928900000000 ] - [ 0.0000000000000000, 0.0010437900000000, -0.0032408100000000 ] - [ 0.0051692900000000, 0.0026464800000000, -0.0096669900000000 ] - [ -0.0082696300000000, -0.0037398200000000, -0.0148944300000000 ] - [ 0.0000054200000000, -0.0000349300000000, 0.0009926100000000 ] - [ 0.0000613900000000, 0.0000413100000000, -0.0009963400000000 ] - [ 0.0010015800000000, -0.0008608500000000, 0.0043765200000000 ] - [ -0.0008965800000000, -0.0005107600000000, -0.0027079000000000 ] - [ 0.0030479200000000, 0.0029768400000000, -0.0017719200000000 ] - [ -0.0004890000000000, -0.0021063500000000, -0.0000386400000000 ] - [ 0.0031106800000000, -0.0029244400000000, -0.0046316000000000 ] - [ -0.0017907600000000, 0.0013890000000000, 0.0004293500000000 ] - [ 0.0008807000000000, -0.0017552000000000, 0.0040505500000000 ] - [ -0.0007779300000000, 0.0005693900000000, -0.0024630700000000 ] - [ -0.0000414000000000, -0.0004478700000000, -0.0000346900000000 ] - [ -0.0002699500000000, 0.0000627500000000, 0.0000361700000000 ] - [ 0.0005659000000000, 0.0013793900000000, 0.0047671200000000 ] - [ -0.0008412200000000, -0.0004288200000000, -0.0030604500000000 ] - [ 0.0000000000000000, 0.0004581900000000, 0.0002821900000000 ] - [ 0.0000000000000000, -0.0005376900000000, -0.0000651400000000 ] - [ 0.0000000000000000, -0.0003341400000000, 0.0009651800000000 ] - [ 0.0000000000000000, 0.0000432100000000, -0.0009099800000000 ] - [ 0.0000000000000000, 0.0002595300000000, 0.0001774500000000 ] - [ 0.0000000000000000, -0.0001128700000000, 0.0001625400000000 ] - [ 0.0000000000000000, -0.0002931300000000, 0.0015299500000000 ] - [ 0.0000000000000000, -0.0002019000000000, -0.0012161500000000 ] - [ 0.0000414000000000, -0.0004478700000000, -0.0000346900000000 ] - [ 0.0002699500000000, 0.0000627500000000, 0.0000361700000000 ] - [ -0.0005659000000000, 0.0013793900000000, 0.0047671200000000 ] - [ 0.0008412200000000, -0.0004288200000000, -0.0030604500000000 ] - [ -0.0008807000000000, -0.0017552000000000, 0.0040505500000000 ] - [ 0.0007779300000000, 0.0005693900000000, -0.0024630700000000 ] - [ -0.0031106800000000, -0.0029244400000000, -0.0046316000000000 ] - [ 0.0017907600000000, 0.0013890000000000, 0.0004293500000000 ]