# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5a21eb5e-5f7a-4d42-8705-270563384888/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 Na2Si2Se5 / Cmcm (63) / materials id 18562](https://mdr.nims.go.jp/datasets/6a61d15e-bb45-4d58-a5a1-44721a2ef8e9) ## 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: "Cmcm" number: 63 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: - [ 6.644016790000000, -6.575805965000000, 0.000000000000000 ] # a - [ 6.644016790000000, 6.575805965000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.866197789999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.072015630000000, 0.580485210000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.927984370000000, 0.419514790000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.419514790000000, 0.927984370000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.580485210000000, 0.072015630000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.148337450000000, 0.148337450000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.851662550000000, 0.851662550000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.851662550000000, 0.851662550000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.148337450000000, 0.148337450000000, 0.000000000000000 ] mass: 22.989769 - symbol: Si # 9 coordinates: [ 0.683081460000000, 0.588069740000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.316918540000000, 0.411930260000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.411930260000000, 0.316918540000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.588069740000000, 0.683081460000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.745623990000000, 0.254376010000000, 0.081846110000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.254376010000000, 0.745623990000000, 0.581846110000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.745623990000000, 0.254376010000000, 0.418153890000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.254376010000000, 0.745623990000000, 0.918153890000000 ] mass: 28.085500 - symbol: Se # 17 coordinates: [ 0.820277290000000, 0.728079710000000, 0.750000000000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.179722710000000, 0.271920290000000, 0.250000000000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.271920290000000, 0.179722710000000, 0.750000000000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.728079710000000, 0.820277290000000, 0.250000000000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.842797890000000, 0.157202110000000, 0.914892540000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.157202110000000, 0.842797890000000, 0.414892540000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.842797890000000, 0.157202110000000, 0.585107460000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.157202110000000, 0.842797890000000, 0.085107460000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.850535240000000, 0.149464760000000, 0.250000000000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.149464760000000, 0.850535240000000, 0.750000000000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.208936690000000, 0.503951470000000, 0.924129330000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.791063310000000, 0.496048530000000, 0.424129330000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.496048530000000, 0.791063310000000, 0.575870670000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.503951470000000, 0.208936690000000, 0.075870670000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.791063310000000, 0.496048530000000, 0.075870670000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.208936690000000, 0.503951470000000, 0.575870670000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.503951470000000, 0.208936690000000, 0.424129330000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.496048530000000, 0.791063310000000, 0.924129330000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.441417810000000, 0.558582190000000, 0.250000000000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.558582190000000, 0.441417810000000, 0.750000000000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.075255679779822, -0.076036306828588, 0.000000000000000 ] # a* - [ 0.075255679779822, 0.076036306828588, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.092028510738161 ] # c*unit_cell: lattice: - [ 13.288033580000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.151611930000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.866197789999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.826250420000000, 0.754234790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.173749580000000, 0.245765210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.173749580000000, 0.754234790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.826250420000000, 0.245765210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.648337450000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.351662550000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.351662550000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.648337450000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.326250420000000, 0.254234790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.673749580000000, 0.745765210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.673749580000000, 0.254234790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.326250420000000, 0.745765210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.148337450000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 14 coordinates: [ 0.851662550000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 15 coordinates: [ 0.851662550000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 16 coordinates: [ 0.148337450000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Si # 17 coordinates: [ 0.135575600000000, 0.452494140000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.864424400000000, 0.547505860000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.864424400000000, 0.452494140000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.135575600000000, 0.547505860000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.000000000000000, 0.254376010000000, 0.081846110000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.000000000000000, 0.745623990000000, 0.581846110000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.000000000000000, 0.254376010000000, 0.418153890000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.000000000000000, 0.745623990000000, 0.918153890000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.635575600000000, 0.952494140000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 26 coordinates: [ 0.364424400000000, 0.047505860000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 27 coordinates: [ 0.364424400000000, 0.952494140000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 28 coordinates: [ 0.635575600000000, 0.047505860000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 29 coordinates: [ 0.500000000000000, 0.754376010000000, 0.081846110000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 30 coordinates: [ 0.500000000000000, 0.245623990000000, 0.581846110000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 31 coordinates: [ 0.500000000000000, 0.754376010000000, 0.418153890000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 32 coordinates: [ 0.500000000000000, 0.245623990000000, 0.918153890000000 ] mass: 28.085500 reduced_to: 24 - symbol: Se # 33 coordinates: [ 0.274178500000000, 0.453901210000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.725821500000000, 0.546098790000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.725821500000000, 0.453901210000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.274178500000000, 0.546098790000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.000000000000000, 0.157202110000000, 0.914892540000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.000000000000000, 0.842797890000000, 0.414892540000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.000000000000000, 0.157202110000000, 0.585107460000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.000000000000000, 0.842797890000000, 0.085107460000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.000000000000000, 0.149464760000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.000000000000000, 0.850535240000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.856444080000000, 0.647507390000000, 0.924129330000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.143555920000000, 0.352492610000000, 0.424129330000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.143555920000000, 0.647507390000000, 0.575870670000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.856444080000000, 0.352492610000000, 0.075870670000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.143555920000000, 0.352492610000000, 0.075870670000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.856444080000000, 0.647507390000000, 0.575870670000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.856444080000000, 0.352492610000000, 0.424129330000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.143555920000000, 0.647507390000000, 0.924129330000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.000000000000000, 0.558582190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.000000000000000, 0.441417810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.774178500000000, 0.953901210000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 54 coordinates: [ 0.225821500000000, 0.046098790000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 55 coordinates: [ 0.225821500000000, 0.953901210000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 56 coordinates: [ 0.774178500000000, 0.046098790000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 57 coordinates: [ 0.500000000000000, 0.657202110000000, 0.914892540000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 58 coordinates: [ 0.500000000000000, 0.342797890000000, 0.414892540000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 59 coordinates: [ 0.500000000000000, 0.657202110000000, 0.585107460000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 60 coordinates: [ 0.500000000000000, 0.342797890000000, 0.085107460000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 61 coordinates: [ 0.500000000000000, 0.649464760000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 62 coordinates: [ 0.500000000000000, 0.350535240000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 63 coordinates: [ 0.356444080000000, 0.147507390000000, 0.924129330000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 64 coordinates: [ 0.643555920000000, 0.852492610000000, 0.424129330000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 65 coordinates: [ 0.643555920000000, 0.147507390000000, 0.575870670000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 66 coordinates: [ 0.356444080000000, 0.852492610000000, 0.075870670000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 67 coordinates: [ 0.643555920000000, 0.852492610000000, 0.075870670000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 68 coordinates: [ 0.356444080000000, 0.147507390000000, 0.575870670000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 69 coordinates: [ 0.356444080000000, 0.852492610000000, 0.424129330000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 70 coordinates: [ 0.643555920000000, 0.147507390000000, 0.924129330000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 71 coordinates: [ 0.500000000000000, 0.058582190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 72 coordinates: [ 0.500000000000000, 0.941417810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 52supercell: lattice: - [ 13.288033580000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.151611930000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 21.732395579999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.826250420000000, 0.754234790000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.826250420000000, 0.754234790000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.173749580000000, 0.245765210000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.173749580000000, 0.245765210000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.173749580000000, 0.754234790000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.173749580000000, 0.754234790000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.826250420000000, 0.245765210000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.826250420000000, 0.245765210000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.648337450000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.648337450000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.351662550000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.351662550000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.351662550000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.351662550000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.648337450000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.648337450000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.326250420000000, 0.254234790000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 18 coordinates: [ 0.326250420000000, 0.254234790000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 19 coordinates: [ 0.673749580000000, 0.745765210000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 20 coordinates: [ 0.673749580000000, 0.745765210000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 21 coordinates: [ 0.673749580000000, 0.254234790000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 22 coordinates: [ 0.673749580000000, 0.254234790000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 23 coordinates: [ 0.326250420000000, 0.745765210000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 24 coordinates: [ 0.326250420000000, 0.745765210000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 25 coordinates: [ 0.148337450000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 26 coordinates: [ 0.148337450000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 27 coordinates: [ 0.851662550000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 28 coordinates: [ 0.851662550000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 29 coordinates: [ 0.851662550000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 30 coordinates: [ 0.851662550000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 31 coordinates: [ 0.148337450000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 32 coordinates: [ 0.148337450000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Si # 33 coordinates: [ 0.135575600000000, 0.452494140000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.135575600000000, 0.452494140000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.864424400000000, 0.547505860000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.864424400000000, 0.547505860000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 37 coordinates: [ 0.864424400000000, 0.452494140000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.864424400000000, 0.452494140000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.135575600000000, 0.547505860000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.135575600000000, 0.547505860000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 41 coordinates: [ 0.000000000000000, 0.254376010000000, 0.040923055000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.000000000000000, 0.254376010000000, 0.540923055000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 43 coordinates: [ 0.000000000000000, 0.745623990000000, 0.290923055000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.000000000000000, 0.745623990000000, 0.790923055000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 45 coordinates: [ 0.000000000000000, 0.254376010000000, 0.209076945000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.000000000000000, 0.254376010000000, 0.709076945000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 47 coordinates: [ 0.000000000000000, 0.745623990000000, 0.459076945000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.000000000000000, 0.745623990000000, 0.959076945000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 49 coordinates: [ 0.635575600000000, 0.952494140000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 50 coordinates: [ 0.635575600000000, 0.952494140000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 51 coordinates: [ 0.364424400000000, 0.047505860000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 52 coordinates: [ 0.364424400000000, 0.047505860000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 53 coordinates: [ 0.364424400000000, 0.952494140000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 54 coordinates: [ 0.364424400000000, 0.952494140000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 55 coordinates: [ 0.635575600000000, 0.047505860000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 56 coordinates: [ 0.635575600000000, 0.047505860000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 57 coordinates: [ 0.500000000000000, 0.754376010000000, 0.040923055000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 58 coordinates: [ 0.500000000000000, 0.754376010000000, 0.540923055000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 59 coordinates: [ 0.500000000000000, 0.245623990000000, 0.290923055000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 60 coordinates: [ 0.500000000000000, 0.245623990000000, 0.790923055000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 61 coordinates: [ 0.500000000000000, 0.754376010000000, 0.209076945000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 62 coordinates: [ 0.500000000000000, 0.754376010000000, 0.709076945000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 63 coordinates: [ 0.500000000000000, 0.245623990000000, 0.459076945000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 64 coordinates: [ 0.500000000000000, 0.245623990000000, 0.959076945000000 ] mass: 28.085500 reduced_to: 47 - symbol: Se # 65 coordinates: [ 0.274178500000000, 0.453901210000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.274178500000000, 0.453901210000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 67 coordinates: [ 0.725821500000000, 0.546098790000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.725821500000000, 0.546098790000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 69 coordinates: [ 0.725821500000000, 0.453901210000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.725821500000000, 0.453901210000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 71 coordinates: [ 0.274178500000000, 0.546098790000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 72 coordinates: [ 0.274178500000000, 0.546098790000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 73 coordinates: [ 0.000000000000000, 0.157202110000000, 0.457446270000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.000000000000000, 0.157202110000000, 0.957446270000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.000000000000000, 0.842797890000000, 0.207446270000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 76 coordinates: [ 0.000000000000000, 0.842797890000000, 0.707446270000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 77 coordinates: [ 0.000000000000000, 0.157202110000000, 0.292553730000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.000000000000000, 0.157202110000000, 0.792553730000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 79 coordinates: [ 0.000000000000000, 0.842797890000000, 0.042553730000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.000000000000000, 0.842797890000000, 0.542553730000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 81 coordinates: [ 0.000000000000000, 0.149464760000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 82 coordinates: [ 0.000000000000000, 0.149464760000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 83 coordinates: [ 0.000000000000000, 0.850535240000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 83 - symbol: Se # 84 coordinates: [ 0.000000000000000, 0.850535240000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 83 - symbol: Se # 85 coordinates: [ 0.856444080000000, 0.647507390000000, 0.462064665000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.856444080000000, 0.647507390000000, 0.962064665000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 87 coordinates: [ 0.143555920000000, 0.352492610000000, 0.212064665000000 ] mass: 78.960000 reduced_to: 87 - symbol: Se # 88 coordinates: [ 0.143555920000000, 0.352492610000000, 0.712064665000000 ] mass: 78.960000 reduced_to: 87 - symbol: Se # 89 coordinates: [ 0.143555920000000, 0.647507390000000, 0.287935335000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 90 coordinates: [ 0.143555920000000, 0.647507390000000, 0.787935335000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 91 coordinates: [ 0.856444080000000, 0.352492610000000, 0.037935335000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.856444080000000, 0.352492610000000, 0.537935335000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 93 coordinates: [ 0.143555920000000, 0.352492610000000, 0.037935335000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 94 coordinates: [ 0.143555920000000, 0.352492610000000, 0.537935335000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 95 coordinates: [ 0.856444080000000, 0.647507390000000, 0.287935335000000 ] mass: 78.960000 reduced_to: 95 - symbol: Se # 96 coordinates: [ 0.856444080000000, 0.647507390000000, 0.787935335000000 ] mass: 78.960000 reduced_to: 95 - symbol: Se # 97 coordinates: [ 0.856444080000000, 0.352492610000000, 0.212064665000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.856444080000000, 0.352492610000000, 0.712064665000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.143555920000000, 0.647507390000000, 0.462064665000000 ] mass: 78.960000 reduced_to: 99 - symbol: Se # 100 coordinates: [ 0.143555920000000, 0.647507390000000, 0.962064665000000 ] mass: 78.960000 reduced_to: 99 - symbol: Se # 101 coordinates: [ 0.000000000000000, 0.558582190000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 102 coordinates: [ 0.000000000000000, 0.558582190000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 103 coordinates: [ 0.000000000000000, 0.441417810000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 104 coordinates: [ 0.000000000000000, 0.441417810000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 105 coordinates: [ 0.774178500000000, 0.953901210000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 106 coordinates: [ 0.774178500000000, 0.953901210000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 107 coordinates: [ 0.225821500000000, 0.046098790000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 108 coordinates: [ 0.225821500000000, 0.046098790000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 109 coordinates: [ 0.225821500000000, 0.953901210000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 110 coordinates: [ 0.225821500000000, 0.953901210000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 111 coordinates: [ 0.774178500000000, 0.046098790000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 112 coordinates: [ 0.774178500000000, 0.046098790000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 113 coordinates: [ 0.500000000000000, 0.657202110000000, 0.457446270000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 114 coordinates: [ 0.500000000000000, 0.657202110000000, 0.957446270000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 115 coordinates: [ 0.500000000000000, 0.342797890000000, 0.207446270000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 116 coordinates: [ 0.500000000000000, 0.342797890000000, 0.707446270000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 117 coordinates: [ 0.500000000000000, 0.657202110000000, 0.292553730000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 118 coordinates: [ 0.500000000000000, 0.657202110000000, 0.792553730000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 119 coordinates: [ 0.500000000000000, 0.342797890000000, 0.042553730000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 120 coordinates: [ 0.500000000000000, 0.342797890000000, 0.542553730000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 121 coordinates: [ 0.500000000000000, 0.649464760000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 122 coordinates: [ 0.500000000000000, 0.649464760000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 123 coordinates: [ 0.500000000000000, 0.350535240000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 83 - symbol: Se # 124 coordinates: [ 0.500000000000000, 0.350535240000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 83 - symbol: Se # 125 coordinates: [ 0.356444080000000, 0.147507390000000, 0.462064665000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 126 coordinates: [ 0.356444080000000, 0.147507390000000, 0.962064665000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 127 coordinates: [ 0.643555920000000, 0.852492610000000, 0.212064665000000 ] mass: 78.960000 reduced_to: 87 - symbol: Se # 128 coordinates: [ 0.643555920000000, 0.852492610000000, 0.712064665000000 ] mass: 78.960000 reduced_to: 87 - symbol: Se # 129 coordinates: [ 0.643555920000000, 0.147507390000000, 0.287935335000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 130 coordinates: [ 0.643555920000000, 0.147507390000000, 0.787935335000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 131 coordinates: [ 0.356444080000000, 0.852492610000000, 0.037935335000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 132 coordinates: [ 0.356444080000000, 0.852492610000000, 0.537935335000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 133 coordinates: [ 0.643555920000000, 0.852492610000000, 0.037935335000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 134 coordinates: [ 0.643555920000000, 0.852492610000000, 0.537935335000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 135 coordinates: [ 0.356444080000000, 0.147507390000000, 0.287935335000000 ] mass: 78.960000 reduced_to: 95 - symbol: Se # 136 coordinates: [ 0.356444080000000, 0.147507390000000, 0.787935335000000 ] mass: 78.960000 reduced_to: 95 - symbol: Se # 137 coordinates: [ 0.356444080000000, 0.852492610000000, 0.212064665000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 138 coordinates: [ 0.356444080000000, 0.852492610000000, 0.712064665000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 139 coordinates: [ 0.643555920000000, 0.147507390000000, 0.462064665000000 ] mass: 78.960000 reduced_to: 99 - symbol: Se # 140 coordinates: [ 0.643555920000000, 0.147507390000000, 0.962064665000000 ] mass: 78.960000 reduced_to: 99 - symbol: Se # 141 coordinates: [ 0.500000000000000, 0.058582190000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 142 coordinates: [ 0.500000000000000, 0.058582190000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 143 coordinates: [ 0.500000000000000, 0.941417810000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 144 coordinates: [ 0.500000000000000, 0.941417810000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 103displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0080353800000000, -0.0021014500000000, 0.0000000000000000 ] - [ -0.0001986300000000, 0.0001683000000000, 0.0000000000000000 ] - [ 0.0001507600000000, -0.0002345500000000, 0.0000061600000000 ] - [ 0.0001507600000000, -0.0002345500000000, -0.0000061600000000 ] - [ 0.0011436000000000, 0.0001871300000000, 0.0000000000000000 ] - [ 0.0001950200000000, 0.0001675300000000, 0.0000000000000000 ] - [ -0.0001735300000000, -0.0002312600000000, -0.0000279600000000 ] - [ -0.0001735300000000, -0.0002312600000000, 0.0000279600000000 ] - [ -0.0001124600000000, 0.0002144600000000, -0.0003035600000000 ] - [ -0.0000992600000000, -0.0000051700000000, -0.0000049500000000 ] - [ 0.0002927200000000, 0.0000984300000000, 0.0000406000000000 ] - [ 0.0001014600000000, -0.0000037100000000, 0.0000125100000000 ] - [ 0.0002927200000000, 0.0000984300000000, -0.0000406000000000 ] - [ 0.0001014600000000, -0.0000037100000000, -0.0000125100000000 ] - [ -0.0001124600000000, 0.0002144600000000, 0.0003035600000000 ] - [ -0.0000992600000000, -0.0000051700000000, 0.0000049500000000 ] - [ 0.0000769100000000, 0.0000415400000000, 0.0000000000000000 ] - [ -0.0000788500000000, 0.0001666100000000, 0.0000000000000000 ] - [ -0.0000869400000000, -0.0000864900000000, -0.0002412400000000 ] - [ -0.0000869400000000, -0.0000864900000000, 0.0002412400000000 ] - [ 0.0001262500000000, 0.0001511600000000, 0.0000000000000000 ] - [ 0.0000770700000000, 0.0001632300000000, 0.0000000000000000 ] - [ 0.0001090200000000, -0.0001542500000000, -0.0001112400000000 ] - [ 0.0001090200000000, -0.0001542500000000, 0.0001112400000000 ] - [ 0.0003986900000000, 0.0003311900000000, -0.0000184100000000 ] - [ 0.0000303700000000, 0.0000504800000000, 0.0000038600000000 ] - [ -0.0006110600000000, 0.0002304000000000, 0.0000706000000000 ] - [ -0.0000476600000000, 0.0000490000000000, -0.0000250600000000 ] - [ -0.0006110600000000, 0.0002304000000000, -0.0000706000000000 ] - [ -0.0000476600000000, 0.0000490000000000, 0.0000250600000000 ] - [ 0.0003986900000000, 0.0003311900000000, 0.0000184100000000 ] - [ 0.0000303700000000, 0.0000504800000000, -0.0000038600000000 ] - [ 0.0012835700000000, -0.0005976700000000, 0.0000000000000000 ] - [ -0.0003672200000000, -0.0003857500000000, 0.0000000000000000 ] - [ 0.0005115700000000, 0.0000666200000000, 0.0001750100000000 ] - [ 0.0005115700000000, 0.0000666200000000, -0.0001750100000000 ] - [ -0.0029892100000000, -0.0005620000000000, 0.0000000000000000 ] - [ 0.0003661000000000, -0.0003867400000000, 0.0000000000000000 ] - [ -0.0004817700000000, 0.0000662200000000, 0.0003153800000000 ] - [ -0.0004817700000000, 0.0000662200000000, -0.0003153800000000 ] - [ -0.0004415200000000, -0.0003422000000000, 0.0000558400000000 ] - [ -0.0000004100000000, -0.0002852800000000, -0.0000050100000000 ] - [ -0.0003902600000000, -0.0017106900000000, 0.0021082000000000 ] - [ 0.0000259500000000, -0.0001611000000000, -0.0002395700000000 ] - [ -0.0004415200000000, -0.0003422000000000, -0.0000558400000000 ] - [ -0.0000004100000000, -0.0002852800000000, 0.0000050100000000 ] - [ 0.0000259500000000, -0.0001611000000000, 0.0002395700000000 ] - [ -0.0003902600000000, -0.0017106900000000, -0.0021082000000000 ] - [ 0.0004574700000000, -0.0041357700000000, 0.0000000000000000 ] - [ -0.0004236900000000, -0.0004016600000000, 0.0000000000000000 ] - [ 0.0006680100000000, 0.0003800200000000, -0.0001010100000000 ] - [ 0.0006680100000000, 0.0003800200000000, 0.0001010100000000 ] - [ 0.0011616400000000, -0.0006037700000000, 0.0000000000000000 ] - [ 0.0004286100000000, -0.0003946700000000, 0.0000000000000000 ] - [ -0.0005311800000000, 0.0003734200000000, -0.0002300800000000 ] - [ -0.0005311800000000, 0.0003734200000000, 0.0002300800000000 ] - [ 0.0020961700000000, 0.0009031600000000, 0.0004551300000000 ] - [ 0.0000088700000000, -0.0003745900000000, -0.0000593500000000 ] - [ 0.0000879900000000, 0.0002354700000000, -0.0002466700000000 ] - [ 0.0000272200000000, 0.0002463100000000, 0.0000647600000000 ] - [ 0.0020961700000000, 0.0009031600000000, -0.0004551300000000 ] - [ 0.0000088700000000, -0.0003745900000000, 0.0000593500000000 ] - [ 0.0000272200000000, 0.0002463100000000, -0.0000647600000000 ] - [ 0.0000879900000000, 0.0002354700000000, 0.0002466700000000 ] - [ -0.0001681400000000, -0.0000930500000000, -0.0000890000000000 ] - [ -0.0001681400000000, -0.0000930500000000, 0.0000890000000000 ] - [ 0.0028523000000000, 0.0024655700000000, 0.0000000000000000 ] - [ 0.0000409400000000, 0.0002644900000000, 0.0000000000000000 ] - [ 0.0001707100000000, -0.0000719800000000, -0.0000318800000000 ] - [ 0.0001707100000000, -0.0000719800000000, 0.0000318800000000 ] - [ -0.0001936500000000, 0.0002780200000000, 0.0000000000000000 ] - [ -0.0000425900000000, 0.0002657200000000, 0.0000000000000000 ] - [ 0.0000049900000000, 0.0003929800000000, 0.0001769300000000 ] - [ 0.0001625000000000, 0.0000875300000000, 0.0000451700000000 ] - [ 0.0021797400000000, 0.0013404000000000, 0.0006723200000000 ] - [ -0.0000024000000000, -0.0003763800000000, 0.0004086300000000 ] - [ 0.0001625000000000, 0.0000875300000000, -0.0000451700000000 ] - [ 0.0000049900000000, 0.0003929800000000, -0.0001769300000000 ] - [ 0.0021797400000000, 0.0013404000000000, -0.0006723200000000 ] - [ -0.0000024000000000, -0.0003763800000000, -0.0004086300000000 ] - [ 0.0001215500000000, 0.0009479100000000, 0.0000000000000000 ] - [ -0.0000006800000000, 0.0008011000000000, 0.0000000000000000 ] - [ 0.0000222700000000, -0.0003060200000000, -0.0005382000000000 ] - [ 0.0000222700000000, -0.0003060200000000, 0.0005382000000000 ] - [ 0.0001472800000000, -0.0001739900000000, 0.0001274300000000 ] - [ 0.0000774500000000, 0.0000319900000000, 0.0004671800000000 ] - [ -0.0002830500000000, 0.0006430200000000, 0.0000154900000000 ] - [ -0.0000836100000000, 0.0002977100000000, 0.0002243900000000 ] - [ -0.0000900600000000, 0.0000445600000000, -0.0006431500000000 ] - [ -0.0001303700000000, -0.0001972500000000, -0.0001402200000000 ] - [ 0.0008066200000000, 0.0002522100000000, -0.0000868600000000 ] - [ 0.0000843700000000, 0.0002974100000000, -0.0002275900000000 ] - [ -0.0002830500000000, 0.0006430200000000, -0.0000154900000000 ] - [ -0.0000836100000000, 0.0002977100000000, -0.0002243900000000 ] - [ 0.0000774500000000, 0.0000319900000000, -0.0004671800000000 ] - [ 0.0001472800000000, -0.0001739900000000, -0.0001274300000000 ] - [ 0.0008066200000000, 0.0002522100000000, 0.0000868600000000 ] - [ 0.0000843700000000, 0.0002974100000000, 0.0002275900000000 ] - [ -0.0001303700000000, -0.0001972500000000, 0.0001402200000000 ] - [ -0.0000900600000000, 0.0000445600000000, 0.0006431500000000 ] - [ 0.0001703500000000, -0.0000343600000000, 0.0000000000000000 ] - [ -0.0000011000000000, 0.0005742700000000, 0.0000000000000000 ] - [ 0.0000522200000000, -0.0004679300000000, -0.0000228800000000 ] - [ 0.0000522200000000, -0.0004679300000000, 0.0000228800000000 ] - [ 0.0000852400000000, -0.0002111700000000, 0.0001528800000000 ] - [ 0.0000852400000000, -0.0002111700000000, -0.0001528800000000 ] - [ -0.0004505400000000, 0.0003263000000000, 0.0000000000000000 ] - [ -0.0000303000000000, 0.0002368300000000, 0.0000000000000000 ] - [ -0.0001153000000000, -0.0002909100000000, 0.0000354100000000 ] - [ -0.0001153000000000, -0.0002909100000000, -0.0000354100000000 ] - [ 0.0004361100000000, 0.0009926400000000, 0.0000000000000000 ] - [ 0.0000255200000000, 0.0002356300000000, 0.0000000000000000 ] - [ -0.0000069500000000, 0.0004163700000000, 0.0002410800000000 ] - [ -0.0003276100000000, 0.0000670200000000, -0.0002361100000000 ] - [ -0.0000742700000000, -0.0004335100000000, 0.0003358700000000 ] - [ -0.0000085900000000, -0.0003709200000000, 0.0001319000000000 ] - [ -0.0003276100000000, 0.0000670200000000, 0.0002361100000000 ] - [ -0.0000069500000000, 0.0004163700000000, -0.0002410800000000 ] - [ -0.0000742700000000, -0.0004335100000000, -0.0003358700000000 ] - [ -0.0000085900000000, -0.0003709200000000, -0.0001319000000000 ] - [ -0.0004869800000000, 0.0004045700000000, 0.0000000000000000 ] - [ -0.0000043200000000, 0.0008169300000000, 0.0000000000000000 ] - [ -0.0000315400000000, -0.0007023200000000, 0.0001214300000000 ] - [ -0.0000315400000000, -0.0007023200000000, -0.0001214300000000 ] - [ -0.0000043500000000, -0.0002461600000000, 0.0003155400000000 ] - [ 0.0000103700000000, -0.0003135400000000, 0.0001617100000000 ] - [ -0.0005613200000000, -0.0001174200000000, -0.0003962300000000 ] - [ -0.0000712200000000, 0.0003073000000000, 0.0002322000000000 ] - [ -0.0001173000000000, -0.0002728300000000, -0.0001708900000000 ] - [ -0.0000502400000000, -0.0002548900000000, -0.0003244200000000 ] - [ -0.0007341200000000, 0.0003731200000000, -0.0002428700000000 ] - [ 0.0000596800000000, 0.0003064200000000, -0.0002299900000000 ] - [ -0.0005613200000000, -0.0001174200000000, 0.0003962300000000 ] - [ -0.0000712200000000, 0.0003073000000000, -0.0002322000000000 ] - [ 0.0000103700000000, -0.0003135400000000, -0.0001617100000000 ] - [ -0.0000043500000000, -0.0002461600000000, -0.0003155400000000 ] - [ -0.0007341200000000, 0.0003731200000000, 0.0002428700000000 ] - [ 0.0000596800000000, 0.0003064200000000, 0.0002299900000000 ] - [ -0.0000502400000000, -0.0002548900000000, 0.0003244200000000 ] - [ -0.0001173000000000, -0.0002728300000000, 0.0001708900000000 ] - [ -0.0005304400000000, 0.0011668100000000, 0.0000000000000000 ] - [ -0.0000062200000000, 0.0005463300000000, 0.0000000000000000 ] - [ -0.0000973400000000, -0.0004960700000000, 0.0000210100000000 ] - [ -0.0000973400000000, -0.0004960700000000, -0.0000210100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0079288100000000, 0.0024315700000000, 0.0000000000000000 ] - [ -0.0000215700000000, 0.0001806400000000, 0.0000000000000000 ] - [ 0.0000668400000000, -0.0001162100000000, -0.0000059300000000 ] - [ 0.0000668400000000, -0.0001162100000000, 0.0000059300000000 ] - [ -0.0009200100000000, 0.0001638800000000, 0.0000000000000000 ] - [ 0.0000229600000000, 0.0001822600000000, 0.0000000000000000 ] - [ -0.0000467300000000, -0.0001193600000000, 0.0000280500000000 ] - [ -0.0000467300000000, -0.0001193600000000, -0.0000280500000000 ] - [ 0.0000413500000000, -0.0002158000000000, 0.0003022800000000 ] - [ 0.0000262900000000, 0.0000046700000000, 0.0000050600000000 ] - [ -0.0002235300000000, -0.0000995100000000, -0.0000410300000000 ] - [ -0.0000309600000000, 0.0000031400000000, -0.0000124900000000 ] - [ -0.0002235300000000, -0.0000995100000000, 0.0000410300000000 ] - [ -0.0000309600000000, 0.0000031400000000, 0.0000124900000000 ] - [ 0.0000413500000000, -0.0002158000000000, -0.0003022800000000 ] - [ 0.0000262900000000, 0.0000046700000000, -0.0000050600000000 ] - [ -0.0002970600000000, 0.0003077900000000, 0.0000000000000000 ] - [ -0.0001408900000000, 0.0001842200000000, 0.0000000000000000 ] - [ 0.0003052200000000, -0.0002649200000000, 0.0002416500000000 ] - [ 0.0003052200000000, -0.0002649200000000, -0.0002416500000000 ] - [ 0.0000921700000000, 0.0001994800000000, 0.0000000000000000 ] - [ 0.0001401500000000, 0.0001875800000000, 0.0000000000000000 ] - [ -0.0003295100000000, -0.0001966800000000, 0.0001114700000000 ] - [ -0.0003295100000000, -0.0001966800000000, -0.0001114700000000 ] - [ -0.0004716500000000, -0.0003330700000000, 0.0000181800000000 ] - [ -0.0001023900000000, -0.0000508900000000, -0.0000038100000000 ] - [ 0.0006804700000000, -0.0002326000000000, -0.0000683500000000 ] - [ 0.0001174200000000, -0.0000494400000000, 0.0000251400000000 ] - [ 0.0006804700000000, -0.0002326000000000, 0.0000683500000000 ] - [ 0.0001174200000000, -0.0000494400000000, -0.0000251400000000 ] - [ -0.0004716500000000, -0.0003330700000000, -0.0000181800000000 ] - [ -0.0001023900000000, -0.0000508900000000, 0.0000038100000000 ] - [ -0.0020865400000000, -0.0001326000000000, 0.0000000000000000 ] - [ -0.0004415800000000, -0.0003449800000000, 0.0000000000000000 ] - [ 0.0002959300000000, 0.0006663800000000, -0.0001775800000000 ] - [ 0.0002959300000000, 0.0006663800000000, 0.0001775800000000 ] - [ 0.0037763900000000, -0.0001605300000000, 0.0000000000000000 ] - [ 0.0004398900000000, -0.0003439500000000, 0.0000000000000000 ] - [ -0.0003280500000000, 0.0006627900000000, -0.0003156300000000 ] - [ -0.0003280500000000, 0.0006627900000000, 0.0003156300000000 ] - [ 0.0004385700000000, -0.0001922300000000, -0.0000678000000000 ] - [ -0.0000009500000000, -0.0002485800000000, -0.0000069200000000 ] - [ 0.0003892100000000, 0.0022423900000000, -0.0021203700000000 ] - [ -0.0000284100000000, 0.0006927200000000, 0.0002277900000000 ] - [ 0.0004385700000000, -0.0001922300000000, 0.0000678000000000 ] - [ -0.0000009500000000, -0.0002485800000000, 0.0000069200000000 ] - [ -0.0000284100000000, 0.0006927200000000, -0.0002277900000000 ] - [ 0.0003892100000000, 0.0022423900000000, 0.0021203700000000 ] - [ -0.0012727200000000, 0.0034337300000000, 0.0000000000000000 ] - [ -0.0003851000000000, -0.0003289200000000, 0.0000000000000000 ] - [ 0.0001374200000000, 0.0003498500000000, 0.0001009700000000 ] - [ 0.0001374200000000, 0.0003498500000000, -0.0001009700000000 ] - [ -0.0003567800000000, -0.0001265400000000, 0.0000000000000000 ] - [ 0.0003775600000000, -0.0003359000000000, 0.0000000000000000 ] - [ -0.0002774900000000, 0.0003568900000000, 0.0002303200000000 ] - [ -0.0002774900000000, 0.0003568900000000, -0.0002303200000000 ] - [ -0.0021047000000000, -0.0014307900000000, -0.0004744200000000 ] - [ -0.0000101600000000, -0.0001590900000000, 0.0000475100000000 ] - [ -0.0000897900000000, 0.0002982200000000, 0.0002343600000000 ] - [ -0.0000285300000000, 0.0002869500000000, -0.0000766300000000 ] - [ -0.0021047000000000, -0.0014307900000000, 0.0004744200000000 ] - [ -0.0000101600000000, -0.0001590900000000, -0.0000475100000000 ] - [ -0.0000285300000000, 0.0002869500000000, 0.0000766300000000 ] - [ -0.0000897900000000, 0.0002982200000000, -0.0002343600000000 ] - [ 0.0001438600000000, -0.0003947300000000, 0.0000887600000000 ] - [ 0.0001438600000000, -0.0003947300000000, -0.0000887600000000 ] - [ -0.0028348200000000, -0.0020428100000000, 0.0000000000000000 ] - [ -0.0000192600000000, 0.0002222100000000, 0.0000000000000000 ] - [ -0.0001490600000000, -0.0004161900000000, 0.0000322500000000 ] - [ -0.0001490600000000, -0.0004161900000000, -0.0000322500000000 ] - [ 0.0001695400000000, 0.0002093200000000, 0.0000000000000000 ] - [ 0.0000180200000000, 0.0002211100000000, 0.0000000000000000 ] - [ -0.0000062200000000, 0.0003753100000000, 0.0001644100000000 ] - [ -0.0001633500000000, 0.0006805900000000, 0.0002961600000000 ] - [ -0.0021009000000000, -0.0020625100000000, -0.0002579400000000 ] - [ 0.0000012500000000, -0.0003927800000000, -0.0000667800000000 ] - [ -0.0001633500000000, 0.0006805900000000, -0.0002961600000000 ] - [ -0.0000062200000000, 0.0003753100000000, -0.0001644100000000 ] - [ -0.0021009000000000, -0.0020625100000000, 0.0002579400000000 ] - [ 0.0000012500000000, -0.0003927800000000, 0.0000667800000000 ] - [ -0.0001229200000000, 0.0006108600000000, 0.0000000000000000 ] - [ -0.0000005800000000, 0.0007577200000000, 0.0000000000000000 ] - [ -0.0000226900000000, -0.0012518800000000, 0.0005371000000000 ] - [ -0.0000226900000000, -0.0012518800000000, -0.0005371000000000 ] - [ 0.0000099300000000, -0.0004001600000000, 0.0003452300000000 ] - [ 0.0000786200000000, -0.0006076800000000, 0.0000047800000000 ] - [ 0.0001233800000000, -0.0000678500000000, 0.0004546100000000 ] - [ -0.0000759700000000, 0.0002756700000000, 0.0002467200000000 ] - [ -0.0000688600000000, -0.0006186000000000, 0.0001722200000000 ] - [ -0.0000291200000000, -0.0003767000000000, -0.0003307600000000 ] - [ -0.0006471800000000, 0.0003222500000000, -0.0003831300000000 ] - [ 0.0000727800000000, 0.0002759100000000, -0.0002435000000000 ] - [ 0.0001233800000000, -0.0000678500000000, -0.0004546100000000 ] - [ -0.0000759700000000, 0.0002756700000000, -0.0002467200000000 ] - [ 0.0000786200000000, -0.0006076800000000, -0.0000047800000000 ] - [ 0.0000099300000000, -0.0004001600000000, -0.0003452300000000 ] - [ -0.0006471800000000, 0.0003222500000000, 0.0003831300000000 ] - [ 0.0000727800000000, 0.0002759100000000, 0.0002435000000000 ] - [ -0.0000291200000000, -0.0003767000000000, 0.0003307600000000 ] - [ -0.0000688600000000, -0.0006186000000000, -0.0001722200000000 ] - [ -0.0001604600000000, 0.0011102500000000, 0.0000000000000000 ] - [ 0.0000000200000000, 0.0005178200000000, 0.0000000000000000 ] - [ -0.0000527600000000, -0.0006260400000000, 0.0000235600000000 ] - [ -0.0000527600000000, -0.0006260400000000, -0.0000235600000000 ] - [ -0.0001099700000000, -0.0002768500000000, -0.0001532200000000 ] - [ -0.0001099700000000, -0.0002768500000000, 0.0001532200000000 ] - [ 0.0004734900000000, 0.0001606400000000, 0.0000000000000000 ] - [ 0.0000524400000000, 0.0002497800000000, 0.0000000000000000 ] - [ 0.0001377200000000, -0.0001967500000000, -0.0000352500000000 ] - [ 0.0001377200000000, -0.0001967500000000, 0.0000352500000000 ] - [ -0.0004655300000000, -0.0005029900000000, 0.0000000000000000 ] - [ -0.0000499600000000, 0.0002513100000000, 0.0000000000000000 ] - [ 0.0000057500000000, 0.0003519700000000, 0.0001000900000000 ] - [ 0.0003270600000000, 0.0007017800000000, 0.0005790100000000 ] - [ 0.0000724900000000, -0.0003364100000000, 0.0000062100000000 ] - [ 0.0000074700000000, -0.0003985600000000, 0.0002097100000000 ] - [ 0.0003270600000000, 0.0007017800000000, -0.0005790100000000 ] - [ 0.0000057500000000, 0.0003519700000000, -0.0001000900000000 ] - [ 0.0000724900000000, -0.0003364100000000, -0.0000062100000000 ] - [ 0.0000074700000000, -0.0003985600000000, -0.0002097100000000 ] - [ 0.0004906300000000, 0.0011537300000000, 0.0000000000000000 ] - [ 0.0000030500000000, 0.0007418700000000, 0.0000000000000000 ] - [ 0.0000302700000000, -0.0008577800000000, -0.0001213200000000 ] - [ 0.0000302700000000, -0.0008577800000000, 0.0001213200000000 ] - [ 0.0001616000000000, -0.0003282800000000, 0.0001554700000000 ] - [ 0.0001467800000000, -0.0002610200000000, 0.0003091700000000 ] - [ 0.0003656300000000, 0.0007055700000000, 0.0008957500000000 ] - [ -0.0000884400000000, 0.0002659700000000, 0.0002390500000000 ] - [ -0.0000422400000000, -0.0003017600000000, -0.0003002200000000 ] - [ -0.0001094900000000, -0.0003195500000000, -0.0001466500000000 ] - [ 0.0008900700000000, 0.0001988300000000, -0.0002277100000000 ] - [ 0.0000973700000000, 0.0002669200000000, -0.0002413000000000 ] - [ 0.0003656300000000, 0.0007055700000000, -0.0008957500000000 ] - [ -0.0000884400000000, 0.0002659700000000, -0.0002390500000000 ] - [ 0.0001467800000000, -0.0002610200000000, -0.0003091700000000 ] - [ 0.0001616000000000, -0.0003282800000000, -0.0001554700000000 ] - [ 0.0008900700000000, 0.0001988300000000, 0.0002277100000000 ] - [ 0.0000973700000000, 0.0002669200000000, 0.0002413000000000 ] - [ -0.0001094900000000, -0.0003195500000000, 0.0001466500000000 ] - [ -0.0000422400000000, -0.0003017600000000, 0.0003002200000000 ] - [ 0.0005299100000000, -0.0000768200000000, 0.0000000000000000 ] - [ 0.0000049000000000, 0.0005459500000000, 0.0000000000000000 ] - [ 0.0000963200000000, -0.0005974000000000, -0.0000210100000000 ] - [ 0.0000963200000000, -0.0005974000000000, 0.0000210100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023049500000000, -0.0092396100000000, 0.0000000000000000 ] - [ -0.0001156000000000, 0.0001405200000000, 0.0000000000000000 ] - [ 0.0000504400000000, -0.0001643600000000, -0.0000839200000000 ] - [ 0.0000504400000000, -0.0001643600000000, 0.0000839200000000 ] - [ 0.0000970900000000, -0.0003100700000000, 0.0000000000000000 ] - [ 0.0001167300000000, 0.0001627200000000, 0.0000000000000000 ] - [ -0.0000537100000000, -0.0001189100000000, -0.0000883100000000 ] - [ -0.0000537100000000, -0.0001189100000000, 0.0000883100000000 ] - [ 0.0003461100000000, 0.0000380300000000, -0.0006199200000000 ] - [ -0.0000011100000000, 0.0000014600000000, 0.0000214000000000 ] - [ -0.0000500000000000, -0.0000952300000000, 0.0001485300000000 ] - [ 0.0000271100000000, 0.0000039700000000, 0.0000041500000000 ] - [ -0.0000500000000000, -0.0000952300000000, -0.0001485300000000 ] - [ 0.0000271100000000, 0.0000039700000000, -0.0000041500000000 ] - [ 0.0003461100000000, 0.0000380300000000, 0.0006199200000000 ] - [ -0.0000011100000000, 0.0000014600000000, -0.0000214000000000 ] - [ -0.0002424700000000, 0.0004244500000000, 0.0000000000000000 ] - [ -0.0001180000000000, 0.0001803200000000, 0.0000000000000000 ] - [ 0.0001985500000000, -0.0002667400000000, 0.0000754500000000 ] - [ 0.0001985500000000, -0.0002667400000000, -0.0000754500000000 ] - [ 0.0001327000000000, 0.0012403300000000, 0.0000000000000000 ] - [ 0.0001213400000000, 0.0001893800000000, 0.0000000000000000 ] - [ -0.0001305900000000, -0.0001888400000000, 0.0000510200000000 ] - [ -0.0001305900000000, -0.0001888400000000, -0.0000510200000000 ] - [ -0.0000535200000000, 0.0002684100000000, 0.0001095700000000 ] - [ -0.0000468300000000, 0.0000103100000000, -0.0000069500000000 ] - [ 0.0002581900000000, 0.0006503300000000, -0.0008374000000000 ] - [ 0.0000532600000000, 0.0000146400000000, 0.0000233200000000 ] - [ 0.0002581900000000, 0.0006503300000000, 0.0008374000000000 ] - [ 0.0000532600000000, 0.0000146400000000, -0.0000233200000000 ] - [ -0.0000535200000000, 0.0002684100000000, -0.0001095700000000 ] - [ -0.0000468300000000, 0.0000103100000000, 0.0000069500000000 ] - [ -0.0023942700000000, 0.0005915000000000, 0.0000000000000000 ] - [ -0.0004284300000000, -0.0003700300000000, 0.0000000000000000 ] - [ 0.0004906700000000, 0.0008672000000000, -0.0002714200000000 ] - [ 0.0004906700000000, 0.0008672000000000, 0.0002714200000000 ] - [ -0.0016188200000000, 0.0024788800000000, 0.0000000000000000 ] - [ 0.0003915800000000, -0.0003670500000000, 0.0000000000000000 ] - [ -0.0006338900000000, 0.0002586000000000, 0.0001842300000000 ] - [ -0.0006338900000000, 0.0002586000000000, -0.0001842300000000 ] - [ -0.0003585300000000, 0.0005672100000000, -0.0003016000000000 ] - [ -0.0000181400000000, -0.0002824600000000, -0.0000153500000000 ] - [ -0.0009938700000000, -0.0012983600000000, 0.0011161200000000 ] - [ -0.0001337200000000, -0.0000455900000000, -0.0000830500000000 ] - [ -0.0003585300000000, 0.0005672100000000, 0.0003016000000000 ] - [ -0.0000181400000000, -0.0002824600000000, 0.0000153500000000 ] - [ -0.0001337200000000, -0.0000455900000000, 0.0000830500000000 ] - [ -0.0009938700000000, -0.0012983600000000, -0.0011161200000000 ] - [ -0.0032649000000000, 0.0005342200000000, 0.0000000000000000 ] - [ -0.0004078600000000, -0.0003631300000000, 0.0000000000000000 ] - [ 0.0003352500000000, 0.0004519700000000, -0.0000817900000000 ] - [ 0.0003352500000000, 0.0004519700000000, 0.0000817900000000 ] - [ 0.0000555100000000, -0.0005329200000000, 0.0000000000000000 ] - [ 0.0003957800000000, -0.0003577800000000, 0.0000000000000000 ] - [ -0.0004114500000000, 0.0003948100000000, 0.0000301200000000 ] - [ -0.0004114500000000, 0.0003948100000000, -0.0000301200000000 ] - [ -0.0008784400000000, -0.0018142200000000, 0.0004782800000000 ] - [ -0.0000051700000000, -0.0002644200000000, -0.0000033700000000 ] - [ -0.0001854300000000, 0.0004972600000000, -0.0002744900000000 ] - [ -0.0000273100000000, 0.0003324700000000, 0.0000099400000000 ] - [ -0.0008784400000000, -0.0018142200000000, -0.0004782800000000 ] - [ -0.0000051700000000, -0.0002644200000000, 0.0000033700000000 ] - [ -0.0000273100000000, 0.0003324700000000, -0.0000099400000000 ] - [ -0.0001854300000000, 0.0004972600000000, 0.0002744900000000 ] - [ -0.0000076600000000, -0.0001049600000000, -0.0000543100000000 ] - [ -0.0000076600000000, -0.0001049600000000, 0.0000543100000000 ] - [ 0.0032889500000000, 0.0038176600000000, 0.0000000000000000 ] - [ 0.0000037000000000, 0.0002297800000000, 0.0000000000000000 ] - [ 0.0000265500000000, -0.0002085200000000, 0.0000962800000000 ] - [ 0.0000265500000000, -0.0002085200000000, -0.0000962800000000 ] - [ 0.0004990900000000, 0.0003197800000000, 0.0000000000000000 ] - [ -0.0000019900000000, 0.0002506700000000, 0.0000000000000000 ] - [ 0.0000022100000000, 0.0003775300000000, 0.0001834800000000 ] - [ 0.0000783600000000, -0.0000774600000000, -0.0000206200000000 ] - [ 0.0011926200000000, 0.0013175000000000, 0.0003364200000000 ] - [ 0.0000177200000000, -0.0003329700000000, 0.0002570800000000 ] - [ 0.0000783600000000, -0.0000774600000000, 0.0000206200000000 ] - [ 0.0000022100000000, 0.0003775300000000, -0.0001834800000000 ] - [ 0.0011926200000000, 0.0013175000000000, -0.0003364200000000 ] - [ 0.0000177200000000, -0.0003329700000000, -0.0002570800000000 ] - [ 0.0001825400000000, 0.0003531800000000, 0.0000000000000000 ] - [ 0.0000074100000000, 0.0007835500000000, 0.0000000000000000 ] - [ 0.0001099100000000, -0.0003927300000000, -0.0002267200000000 ] - [ 0.0001099100000000, -0.0003927300000000, 0.0002267200000000 ] - [ 0.0001348500000000, -0.0002090400000000, 0.0005108900000000 ] - [ 0.0002524700000000, -0.0005339400000000, 0.0004468000000000 ] - [ 0.0003298600000000, -0.0003016000000000, 0.0004402700000000 ] - [ -0.0000677700000000, 0.0002882000000000, 0.0002344000000000 ] - [ 0.0000615200000000, -0.0000260900000000, -0.0005828700000000 ] - [ -0.0000490500000000, -0.0002263500000000, -0.0002359700000000 ] - [ 0.0005209500000000, -0.0004649300000000, -0.0002866600000000 ] - [ 0.0000867900000000, 0.0002890600000000, -0.0002384400000000 ] - [ 0.0003298600000000, -0.0003016000000000, -0.0004402700000000 ] - [ -0.0000677700000000, 0.0002882000000000, -0.0002344000000000 ] - [ 0.0002524700000000, -0.0005339400000000, -0.0004468000000000 ] - [ 0.0001348500000000, -0.0002090400000000, -0.0005108900000000 ] - [ 0.0005209500000000, -0.0004649300000000, 0.0002866600000000 ] - [ 0.0000867900000000, 0.0002890600000000, 0.0002384400000000 ] - [ -0.0000490500000000, -0.0002263500000000, 0.0002359700000000 ] - [ 0.0000615200000000, -0.0000260900000000, 0.0005828700000000 ] - [ 0.0002452900000000, 0.0005474100000000, 0.0000000000000000 ] - [ 0.0000211100000000, 0.0005386200000000, 0.0000000000000000 ] - [ 0.0001226000000000, -0.0005470100000000, 0.0000010300000000 ] - [ 0.0001226000000000, -0.0005470100000000, -0.0000010300000000 ] - [ -0.0000071000000000, -0.0003145300000000, -0.0001080000000000 ] - [ -0.0000071000000000, -0.0003145300000000, 0.0001080000000000 ] - [ 0.0001522800000000, 0.0000702400000000, 0.0000000000000000 ] - [ 0.0000179400000000, 0.0002387800000000, 0.0000000000000000 ] - [ 0.0000236100000000, -0.0003149200000000, -0.0000105500000000 ] - [ 0.0000236100000000, -0.0003149200000000, 0.0000105500000000 ] - [ 0.0013285200000000, -0.0015313000000000, 0.0000000000000000 ] - [ -0.0000129600000000, 0.0002409300000000, 0.0000000000000000 ] - [ -0.0000061600000000, 0.0003902900000000, 0.0001678100000000 ] - [ 0.0000503600000000, 0.0008062500000000, 0.0002657500000000 ] - [ -0.0000426300000000, -0.0006289900000000, 0.0003667200000000 ] - [ -0.0000020300000000, -0.0004107300000000, 0.0001706300000000 ] - [ 0.0000503600000000, 0.0008062500000000, -0.0002657500000000 ] - [ -0.0000061600000000, 0.0003902900000000, -0.0001678100000000 ] - [ -0.0000426300000000, -0.0006289900000000, -0.0003667200000000 ] - [ -0.0000020300000000, -0.0004107300000000, -0.0001706300000000 ] - [ 0.0002871000000000, 0.0013737600000000, 0.0000000000000000 ] - [ 0.0000033700000000, 0.0007837600000000, 0.0000000000000000 ] - [ 0.0000242300000000, -0.0008680300000000, 0.0000251300000000 ] - [ 0.0000242300000000, -0.0008680300000000, -0.0000251300000000 ] - [ 0.0000852000000000, -0.0003258300000000, 0.0002299000000000 ] - [ 0.0001049300000000, -0.0003486300000000, 0.0001295000000000 ] - [ 0.0003126000000000, 0.0016570700000000, 0.0006979300000000 ] - [ -0.0000763700000000, 0.0002855700000000, 0.0002320500000000 ] - [ -0.0000044500000000, -0.0002942300000000, -0.0001669500000000 ] - [ -0.0000629800000000, -0.0003252000000000, -0.0001859600000000 ] - [ 0.0004895300000000, 0.0005562000000000, -0.0003025800000000 ] - [ 0.0000790000000000, 0.0002864300000000, -0.0002348300000000 ] - [ 0.0003126000000000, 0.0016570700000000, -0.0006979300000000 ] - [ -0.0000763700000000, 0.0002855700000000, -0.0002320500000000 ] - [ 0.0001049300000000, -0.0003486300000000, -0.0001295000000000 ] - [ 0.0000852000000000, -0.0003258300000000, -0.0002299000000000 ] - [ 0.0004895300000000, 0.0005562000000000, 0.0003025800000000 ] - [ 0.0000790000000000, 0.0002864300000000, 0.0002348300000000 ] - [ -0.0000629800000000, -0.0003252000000000, 0.0001859600000000 ] - [ -0.0000044500000000, -0.0002942300000000, 0.0001669500000000 ] - [ 0.0003306400000000, 0.0006297100000000, 0.0000000000000000 ] - [ 0.0000030200000000, 0.0005510400000000, 0.0000000000000000 ] - [ 0.0000566900000000, -0.0006146100000000, 0.0000148300000000 ] - [ 0.0000566900000000, -0.0006146100000000, -0.0000148300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022218400000000, 0.0098031700000000, 0.0000000000000000 ] - [ -0.0001035000000000, 0.0002095200000000, 0.0000000000000000 ] - [ 0.0001691000000000, -0.0001850300000000, 0.0000845200000000 ] - [ 0.0001691000000000, -0.0001850300000000, -0.0000845200000000 ] - [ 0.0001205100000000, 0.0006623300000000, 0.0000000000000000 ] - [ 0.0001021200000000, 0.0001874300000000, 0.0000000000000000 ] - [ -0.0001662200000000, -0.0002302500000000, 0.0000889000000000 ] - [ -0.0001662200000000, -0.0002302500000000, -0.0000889000000000 ] - [ -0.0004164800000000, -0.0000383900000000, 0.0006210700000000 ] - [ -0.0000692500000000, -0.0000013100000000, -0.0000214300000000 ] - [ 0.0001197900000000, 0.0000956300000000, -0.0001492400000000 ] - [ 0.0000431500000000, -0.0000038700000000, -0.0000040200000000 ] - [ 0.0001197900000000, 0.0000956300000000, 0.0001492400000000 ] - [ 0.0000431500000000, -0.0000038700000000, 0.0000040200000000 ] - [ -0.0004164800000000, -0.0000383900000000, -0.0006210700000000 ] - [ -0.0000692500000000, -0.0000013100000000, 0.0000214300000000 ] - [ 0.0000232800000000, -0.0000757100000000, 0.0000000000000000 ] - [ -0.0001013900000000, 0.0001698400000000, 0.0000000000000000 ] - [ 0.0000208000000000, -0.0000826900000000, -0.0000758900000000 ] - [ 0.0000208000000000, -0.0000826900000000, 0.0000758900000000 ] - [ 0.0000847100000000, -0.0008862700000000, 0.0000000000000000 ] - [ 0.0000977000000000, 0.0001609200000000, 0.0000000000000000 ] - [ -0.0000891300000000, -0.0001605300000000, -0.0000511100000000 ] - [ -0.0000891300000000, -0.0001605300000000, 0.0000511100000000 ] - [ -0.0000180700000000, -0.0002710200000000, -0.0001097300000000 ] - [ -0.0000239100000000, -0.0000103200000000, 0.0000070400000000 ] - [ -0.0001869500000000, -0.0006480400000000, 0.0008290600000000 ] - [ 0.0000170000000000, -0.0000146600000000, -0.0000233400000000 ] - [ -0.0001869500000000, -0.0006480400000000, -0.0008290600000000 ] - [ 0.0000170000000000, -0.0000146600000000, 0.0000233400000000 ] - [ -0.0000180700000000, -0.0002710200000000, 0.0001097300000000 ] - [ -0.0000239100000000, -0.0000103200000000, -0.0000070400000000 ] - [ 0.0015936500000000, -0.0013307200000000, 0.0000000000000000 ] - [ -0.0003810500000000, -0.0003622100000000, 0.0000000000000000 ] - [ 0.0003188400000000, -0.0001341200000000, 0.0002697800000000 ] - [ 0.0003188400000000, -0.0001341200000000, -0.0002697800000000 ] - [ 0.0024155800000000, -0.0032325500000000, 0.0000000000000000 ] - [ 0.0004176100000000, -0.0003651900000000, 0.0000000000000000 ] - [ -0.0001761000000000, 0.0004742900000000, -0.0001842800000000 ] - [ -0.0001761000000000, 0.0004742900000000, 0.0001842800000000 ] - [ 0.0003586000000000, -0.0011002900000000, 0.0002878600000000 ] - [ 0.0000179400000000, -0.0002492400000000, 0.0000045200000000 ] - [ 0.0009922600000000, 0.0018403400000000, -0.0011361900000000 ] - [ 0.0001332400000000, 0.0005792900000000, 0.0000729100000000 ] - [ 0.0003586000000000, -0.0011002900000000, -0.0002878600000000 ] - [ 0.0000179400000000, -0.0002492400000000, -0.0000045200000000 ] - [ 0.0001332400000000, 0.0005792900000000, -0.0000729100000000 ] - [ 0.0009922600000000, 0.0018403400000000, 0.0011361900000000 ] - [ 0.0024179000000000, -0.0012749600000000, 0.0000000000000000 ] - [ -0.0004015000000000, -0.0003691400000000, 0.0000000000000000 ] - [ 0.0004734800000000, 0.0002797700000000, 0.0000824100000000 ] - [ 0.0004734800000000, 0.0002797700000000, -0.0000824100000000 ] - [ 0.0007526900000000, -0.0002017200000000, 0.0000000000000000 ] - [ 0.0004131300000000, -0.0003743600000000, 0.0000000000000000 ] - [ -0.0003980600000000, 0.0003364600000000, -0.0000294500000000 ] - [ -0.0003980600000000, 0.0003364600000000, 0.0000294500000000 ] - [ 0.0008826300000000, 0.0012874100000000, -0.0004886500000000 ] - [ 0.0000049500000000, -0.0002674700000000, -0.0000076100000000 ] - [ 0.0001844900000000, 0.0000352000000000, 0.0002640700000000 ] - [ 0.0000268700000000, 0.0001995900000000, -0.0000211600000000 ] - [ 0.0008826300000000, 0.0012874100000000, 0.0004886500000000 ] - [ 0.0000049500000000, -0.0002674700000000, 0.0000076100000000 ] - [ 0.0000268700000000, 0.0001995900000000, 0.0000211600000000 ] - [ 0.0001844900000000, 0.0000352000000000, -0.0002640700000000 ] - [ -0.0000188300000000, -0.0003811100000000, 0.0000540000000000 ] - [ -0.0000188300000000, -0.0003811100000000, -0.0000540000000000 ] - [ -0.0033821600000000, -0.0035631400000000, 0.0000000000000000 ] - [ 0.0000226600000000, 0.0002563100000000, 0.0000000000000000 ] - [ -0.0000005600000000, -0.0002783700000000, -0.0000965700000000 ] - [ -0.0000005600000000, -0.0002783700000000, 0.0000965700000000 ] - [ -0.0005283600000000, 0.0001663500000000, 0.0000000000000000 ] - [ -0.0000245000000000, 0.0002351300000000, 0.0000000000000000 ] - [ -0.0000023300000000, 0.0003925600000000, 0.0001592800000000 ] - [ -0.0000792100000000, 0.0008491300000000, 0.0003650000000000 ] - [ -0.0011697600000000, -0.0020875400000000, 0.0000256500000000 ] - [ -0.0000179200000000, -0.0004371400000000, 0.0000852400000000 ] - [ -0.0000792100000000, 0.0008491300000000, -0.0003650000000000 ] - [ -0.0000023300000000, 0.0003925600000000, -0.0001592800000000 ] - [ -0.0011697600000000, -0.0020875400000000, -0.0000256500000000 ] - [ -0.0000179200000000, -0.0004371400000000, -0.0000852400000000 ] - [ -0.0001820800000000, 0.0012048200000000, 0.0000000000000000 ] - [ -0.0000075900000000, 0.0007744300000000, 0.0000000000000000 ] - [ -0.0001100500000000, -0.0011673900000000, 0.0002281600000000 ] - [ -0.0001100500000000, -0.0011673900000000, -0.0002281600000000 ] - [ 0.0000206100000000, -0.0003642600000000, -0.0000382300000000 ] - [ -0.0000984900000000, -0.0000382200000000, 0.0000247700000000 ] - [ -0.0004874800000000, 0.0008768100000000, 0.0000308900000000 ] - [ -0.0000881900000000, 0.0002848900000000, 0.0002383000000000 ] - [ -0.0002172000000000, -0.0005466700000000, 0.0001098200000000 ] - [ -0.0001068400000000, -0.0003468200000000, -0.0002366900000000 ] - [ -0.0003648500000000, 0.0010385100000000, -0.0001854500000000 ] - [ 0.0000690200000000, 0.0002839700000000, -0.0002343600000000 ] - [ -0.0004874800000000, 0.0008768100000000, -0.0000308900000000 ] - [ -0.0000881900000000, 0.0002848900000000, -0.0002383000000000 ] - [ -0.0000984900000000, -0.0000382200000000, -0.0000247700000000 ] - [ 0.0000206100000000, -0.0003642600000000, 0.0000382300000000 ] - [ -0.0003648500000000, 0.0010385100000000, 0.0001854500000000 ] - [ 0.0000690200000000, 0.0002839700000000, 0.0002343600000000 ] - [ -0.0001068400000000, -0.0003468200000000, 0.0002366900000000 ] - [ -0.0002172000000000, -0.0005466700000000, -0.0001098200000000 ] - [ -0.0002271700000000, 0.0005397900000000, 0.0000000000000000 ] - [ -0.0000212700000000, 0.0005568500000000, 0.0000000000000000 ] - [ -0.0001223800000000, -0.0005491400000000, -0.0000004600000000 ] - [ -0.0001223800000000, -0.0005491400000000, 0.0000004600000000 ] - [ -0.0000195600000000, -0.0001706600000000, 0.0001076700000000 ] - [ -0.0000195600000000, -0.0001706600000000, -0.0001076700000000 ] - [ -0.0001233300000000, 0.0004170800000000, 0.0000000000000000 ] - [ 0.0000085000000000, 0.0002475500000000, 0.0000000000000000 ] - [ 0.0000031600000000, -0.0001703600000000, 0.0000107800000000 ] - [ 0.0000031600000000, -0.0001703600000000, -0.0000107800000000 ] - [ -0.0013406900000000, 0.0020120500000000, 0.0000000000000000 ] - [ -0.0000136200000000, 0.0002452300000000, 0.0000000000000000 ] - [ 0.0000058600000000, 0.0003798500000000, 0.0001749200000000 ] - [ -0.0000502500000000, -0.0000359600000000, 0.0000775000000000 ] - [ 0.0000429600000000, -0.0001408200000000, -0.0000242100000000 ] - [ 0.0000016900000000, -0.0003592000000000, 0.0001725400000000 ] - [ -0.0000502500000000, -0.0000359600000000, -0.0000775000000000 ] - [ 0.0000058600000000, 0.0003798500000000, -0.0001749200000000 ] - [ 0.0000429600000000, -0.0001408200000000, 0.0000242100000000 ] - [ 0.0000016900000000, -0.0003592000000000, -0.0001725400000000 ] - [ -0.0002883600000000, 0.0001819600000000, 0.0000000000000000 ] - [ -0.0000035100000000, 0.0007743600000000, 0.0000000000000000 ] - [ -0.0000242700000000, -0.0006899100000000, -0.0000254700000000 ] - [ -0.0000242700000000, -0.0006899100000000, 0.0000254700000000 ] - [ 0.0000707500000000, -0.0002468000000000, 0.0002427500000000 ] - [ 0.0000511400000000, -0.0002241200000000, 0.0003435000000000 ] - [ -0.0004809800000000, -0.0010796900000000, -0.0002183600000000 ] - [ -0.0000796900000000, 0.0002874600000000, 0.0002406800000000 ] - [ -0.0001513200000000, -0.0002779300000000, -0.0003060900000000 ] - [ -0.0000931800000000, -0.0002475500000000, -0.0002862400000000 ] - [ -0.0003349800000000, 0.0000167400000000, -0.0001696200000000 ] - [ 0.0000768200000000, 0.0002867000000000, -0.0002379600000000 ] - [ -0.0004809800000000, -0.0010796900000000, 0.0002183600000000 ] - [ -0.0000796900000000, 0.0002874600000000, -0.0002406800000000 ] - [ 0.0000511400000000, -0.0002241200000000, -0.0003435000000000 ] - [ 0.0000707500000000, -0.0002468000000000, -0.0002427500000000 ] - [ -0.0003349800000000, 0.0000167400000000, 0.0001696200000000 ] - [ 0.0000768200000000, 0.0002867000000000, 0.0002379600000000 ] - [ -0.0000931800000000, -0.0002475500000000, 0.0002862400000000 ] - [ -0.0001513200000000, -0.0002779300000000, 0.0003060900000000 ] - [ -0.0003300000000000, 0.0004709100000000, 0.0000000000000000 ] - [ -0.0000033000000000, 0.0005444400000000, 0.0000000000000000 ] - [ -0.0000568800000000, -0.0004799700000000, -0.0000150100000000 ] - [ -0.0000568800000000, -0.0004799700000000, 0.0000150100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001586500000000, 0.0001045100000000, -0.0054937300000000 ] - [ -0.0001096100000000, 0.0001753500000000, 0.0002551700000000 ] - [ 0.0001160400000000, -0.0002591500000000, 0.0000002300000000 ] - [ 0.0001040000000000, -0.0000908200000000, 0.0000011200000000 ] - [ 0.0001099800000000, 0.0001744700000000, -0.0008909600000000 ] - [ 0.0001098500000000, 0.0001752100000000, 0.0002127700000000 ] - [ -0.0000816300000000, -0.0002636300000000, -0.0000053600000000 ] - [ -0.0001376900000000, -0.0000863700000000, -0.0000044100000000 ] - [ -0.0002075300000000, -0.0002970700000000, -0.0001939600000000 ] - [ 0.0000260800000000, 0.0000013000000000, 0.0001719200000000 ] - [ 0.0000013300000000, 0.0000883000000000, -0.0001843600000000 ] - [ 0.0000693500000000, 0.0000021800000000, 0.0001271200000000 ] - [ 0.0000701000000000, -0.0000884900000000, -0.0001855000000000 ] - [ 0.0000020900000000, -0.0000021100000000, 0.0001271700000000 ] - [ 0.0001354500000000, 0.0002955700000000, -0.0001908200000000 ] - [ -0.0000975800000000, -0.0000012100000000, 0.0001721500000000 ] - [ -0.0001098500000000, 0.0001755100000000, -0.0000845600000000 ] - [ -0.0001094900000000, 0.0001752000000000, 0.0001124300000000 ] - [ -0.0001325300000000, -0.0000984700000000, 0.0002382900000000 ] - [ 0.0003502900000000, -0.0002497600000000, 0.0002375400000000 ] - [ 0.0001104900000000, 0.0001758800000000, -0.0000610500000000 ] - [ 0.0001096300000000, 0.0001751600000000, 0.0001290300000000 ] - [ 0.0000017900000000, -0.0001233600000000, 0.0000967200000000 ] - [ -0.0002208400000000, -0.0002254500000000, 0.0000969900000000 ] - [ 0.0002438400000000, 0.0004893000000000, 0.0000169800000000 ] - [ -0.0000799000000000, -0.0000649300000000, 0.0001243900000000 ] - [ 0.0001443500000000, -0.0008927200000000, 0.0002734100000000 ] - [ 0.0000009100000000, 0.0000644700000000, 0.0001221600000000 ] - [ -0.0000726800000000, 0.0008987900000000, 0.0002739400000000 ] - [ 0.0000698800000000, -0.0000641400000000, 0.0001222700000000 ] - [ -0.0003148100000000, -0.0004892600000000, 0.0000168500000000 ] - [ 0.0000092500000000, 0.0000653100000000, 0.0001241600000000 ] - [ -0.0004089100000000, -0.0003651200000000, 0.0001161400000000 ] - [ -0.0004047900000000, -0.0003663400000000, 0.0002416600000000 ] - [ 0.0001446300000000, -0.0008800500000000, 0.0013005800000000 ] - [ 0.0006622800000000, 0.0016019300000000, 0.0012894500000000 ] - [ 0.0003999100000000, -0.0003621200000000, -0.0001870500000000 ] - [ 0.0004052500000000, -0.0003664700000000, 0.0002708800000000 ] - [ -0.0002276700000000, 0.0002678600000000, 0.0004746000000000 ] - [ -0.0005794300000000, 0.0004663200000000, 0.0004751000000000 ] - [ -0.0000249900000000, -0.0003445500000000, -0.0003426700000000 ] - [ 0.0000066100000000, -0.0002914500000000, 0.0002546000000000 ] - [ 0.0007386800000000, -0.0002356800000000, 0.0019365700000000 ] - [ -0.0002564400000000, 0.0002577900000000, 0.0005112800000000 ] - [ 0.0000239500000000, -0.0001840800000000, -0.0003322200000000 ] - [ -0.0000063200000000, -0.0002405900000000, 0.0002652100000000 ] - [ 0.0002588200000000, 0.0002766300000000, 0.0005218700000000 ] - [ -0.0007212400000000, 0.0007815300000000, 0.0019480400000000 ] - [ -0.0003973700000000, -0.0003692200000000, -0.0034590400000000 ] - [ -0.0004050400000000, -0.0003661800000000, 0.0002530500000000 ] - [ 0.0004585800000000, 0.0005795800000000, -0.0000380700000000 ] - [ 0.0003519500000000, 0.0001533600000000, -0.0000371600000000 ] - [ 0.0004049200000000, -0.0003663800000000, -0.0009613000000000 ] - [ 0.0004052000000000, -0.0003662500000000, 0.0002351600000000 ] - [ -0.0005566400000000, 0.0005811100000000, 0.0000181000000000 ] - [ -0.0002549200000000, 0.0001524900000000, 0.0000197300000000 ] - [ 0.0012147100000000, 0.0013836700000000, -0.0005691600000000 ] - [ -0.0000053200000000, -0.0002702600000000, 0.0002409000000000 ] - [ -0.0000635800000000, 0.0003540000000000, -0.0002139500000000 ] - [ 0.0000177200000000, 0.0001972200000000, 0.0001586400000000 ] - [ -0.0012118700000000, -0.0019150200000000, -0.0005594400000000 ] - [ 0.0000054400000000, -0.0002612700000000, 0.0002516700000000 ] - [ -0.0000177500000000, 0.0003345300000000, 0.0001687800000000 ] - [ 0.0000636000000000, 0.0001778600000000, -0.0002011000000000 ] - [ -0.0001489900000000, -0.0000636600000000, -0.0001418000000000 ] - [ 0.0001211400000000, -0.0004205900000000, -0.0001425500000000 ] - [ 0.0000203200000000, 0.0002481700000000, 0.0007014800000000 ] - [ 0.0000137100000000, 0.0002425600000000, -0.0002340600000000 ] - [ 0.0001725500000000, 0.0000818800000000, -0.0002300200000000 ] - [ -0.0001440200000000, -0.0005642600000000, -0.0002291700000000 ] - [ -0.0000123400000000, 0.0002426500000000, 0.0002319300000000 ] - [ -0.0000135800000000, 0.0002424000000000, -0.0001814000000000 ] - [ -0.0000024500000000, 0.0003552500000000, -0.0000166000000000 ] - [ -0.0000183800000000, 0.0006462300000000, 0.0003830900000000 ] - [ 0.0004635200000000, 0.0003628900000000, 0.0005632100000000 ] - [ 0.0000431400000000, -0.0002415400000000, -0.0002226000000000 ] - [ 0.0000190700000000, 0.0001227500000000, 0.0000405000000000 ] - [ 0.0000026100000000, 0.0004155400000000, -0.0003610300000000 ] - [ -0.0004168600000000, -0.0011120100000000, 0.0001846600000000 ] - [ -0.0000433500000000, -0.0005288800000000, -0.0005665900000000 ] - [ 0.0000000500000000, 0.0007774800000000, 0.0001903200000000 ] - [ 0.0000000500000000, 0.0007780400000000, -0.0001712800000000 ] - [ -0.0001288600000000, -0.0007913200000000, -0.0004526900000000 ] - [ 0.0001277000000000, -0.0007675300000000, -0.0004541000000000 ] - [ 0.0000954400000000, -0.0002779000000000, -0.0003914800000000 ] - [ 0.0000155100000000, -0.0007840500000000, -0.0001807000000000 ] - [ 0.0000275900000000, 0.0001364700000000, 0.0004258300000000 ] - [ -0.0000886200000000, 0.0003334700000000, 0.0000894200000000 ] - [ -0.0003589300000000, -0.0000976600000000, -0.0006493000000000 ] - [ 0.0000380400000000, -0.0002904700000000, -0.0004215500000000 ] - [ 0.0000298600000000, 0.0003849000000000, -0.0001004000000000 ] - [ 0.0000589200000000, 0.0002454000000000, -0.0003760400000000 ] - [ -0.0001795300000000, 0.0004357200000000, -0.0000497100000000 ] - [ -0.0000655600000000, 0.0002409100000000, -0.0003848000000000 ] - [ 0.0001394000000000, 0.0002099100000000, -0.0006531600000000 ] - [ 0.0000585500000000, -0.0002965000000000, -0.0008613800000000 ] - [ 0.0001265600000000, 0.0001868400000000, 0.0003743100000000 ] - [ 0.0000954100000000, 0.0003289600000000, 0.0000980700000000 ] - [ -0.0001929700000000, -0.0002835200000000, 0.0000528500000000 ] - [ 0.0002019700000000, -0.0004775800000000, -0.0001763400000000 ] - [ -0.0000002600000000, 0.0005510500000000, -0.0006586700000000 ] - [ -0.0000000300000000, 0.0005488200000000, -0.0000471300000000 ] - [ -0.0002261000000000, -0.0001503900000000, -0.0002855800000000 ] - [ 0.0002232400000000, -0.0009431200000000, -0.0002833800000000 ] - [ 0.0000672300000000, -0.0004088400000000, -0.0001264500000000 ] - [ -0.0000936400000000, -0.0000765100000000, -0.0001267100000000 ] - [ 0.0000135700000000, 0.0002421600000000, 0.0004394700000000 ] - [ 0.0000136100000000, 0.0002423800000000, -0.0001501500000000 ] - [ -0.0000441900000000, -0.0003516400000000, -0.0000816600000000 ] - [ 0.0000719300000000, -0.0001328700000000, -0.0000823400000000 ] - [ -0.0000152500000000, 0.0002446900000000, 0.0008981500000000 ] - [ -0.0000133800000000, 0.0002424500000000, -0.0001530100000000 ] - [ 0.0000149000000000, 0.0003207900000000, -0.0000119200000000 ] - [ -0.0002039700000000, 0.0002470600000000, 0.0002967500000000 ] - [ -0.0000034700000000, -0.0004388400000000, 0.0003624600000000 ] - [ -0.0000084800000000, -0.0003162200000000, 0.0000178700000000 ] - [ 0.0002043600000000, 0.0005222800000000, -0.0000459700000000 ] - [ -0.0000145200000000, 0.0004493500000000, -0.0003561600000000 ] - [ 0.0000032200000000, -0.0003317300000000, 0.0000164000000000 ] - [ 0.0000088900000000, -0.0004534900000000, -0.0003262900000000 ] - [ -0.0000000900000000, 0.0007783700000000, 0.0006882500000000 ] - [ 0.0000001000000000, 0.0007778400000000, -0.0001649900000000 ] - [ 0.0000258100000000, -0.0007456400000000, 0.0000136100000000 ] - [ -0.0000254300000000, -0.0008092300000000, 0.0000126500000000 ] - [ 0.0000671600000000, -0.0003409900000000, 0.0002040900000000 ] - [ 0.0000853500000000, -0.0002339500000000, 0.0002941900000000 ] - [ 0.0002490200000000, 0.0010667100000000, 0.0021054700000000 ] - [ -0.0000904700000000, 0.0003199300000000, 0.0000982500000000 ] - [ -0.0000226200000000, -0.0003584900000000, -0.0001999200000000 ] - [ -0.0001237800000000, -0.0002346500000000, -0.0002687000000000 ] - [ -0.0004839400000000, 0.0002263800000000, 0.0001647600000000 ] - [ 0.0000701100000000, 0.0002551300000000, -0.0003694600000000 ] - [ -0.0004324800000000, -0.0004776700000000, 0.0016125600000000 ] - [ -0.0000635900000000, 0.0002542400000000, -0.0003761400000000 ] - [ 0.0000691900000000, -0.0003400100000000, -0.0001790700000000 ] - [ 0.0000874300000000, -0.0002325000000000, -0.0002705500000000 ] - [ 0.0006383800000000, 0.0003482400000000, 0.0006392100000000 ] - [ 0.0000843900000000, 0.0003191300000000, 0.0001048500000000 ] - [ -0.0000300100000000, -0.0003390700000000, 0.0002061200000000 ] - [ -0.0001314500000000, -0.0002154400000000, 0.0002735100000000 ] - [ 0.0000005800000000, 0.0005472300000000, 0.0006730600000000 ] - [ 0.0000000800000000, 0.0005486000000000, -0.0000647000000000 ] - [ 0.0000385500000000, -0.0006526500000000, 0.0000058800000000 ] - [ -0.0000384900000000, -0.0004442800000000, 0.0000054800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001873500000000, 0.0005546900000000, -0.0001721400000000 ] - [ -0.0001727000000000, 0.0002088300000000, 0.0000618200000000 ] - [ 0.0003681900000000, -0.0002597300000000, 0.0000345600000000 ] - [ 0.0001765500000000, -0.0001828000000000, -0.0000337100000000 ] - [ 0.0003681900000000, 0.0002597300000000, -0.0000345600000000 ] - [ 0.0001765500000000, 0.0001828000000000, 0.0000337100000000 ] - [ -0.0001873500000000, -0.0005546900000000, 0.0001721400000000 ] - [ -0.0001727000000000, -0.0002088300000000, -0.0000618200000000 ] - [ -0.0124681000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000902000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001581900000000, 0.0000459600000000, 0.0000335700000000 ] - [ 0.0001581900000000, -0.0000459600000000, -0.0000335700000000 ] - [ 0.0021211000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000746000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003429300000000, -0.0000187800000000, -0.0002221700000000 ] - [ -0.0003429300000000, 0.0000187800000000, 0.0002221700000000 ] - [ 0.0003261700000000, 0.0001565200000000, 0.0002800600000000 ] - [ -0.0000430800000000, 0.0001632300000000, -0.0000446800000000 ] - [ -0.0005361200000000, 0.0000465300000000, -0.0001088200000000 ] - [ 0.0000274600000000, -0.0001566400000000, 0.0000346300000000 ] - [ -0.0005361200000000, -0.0000465300000000, 0.0001088200000000 ] - [ 0.0000274600000000, 0.0001566400000000, -0.0000346300000000 ] - [ 0.0003261700000000, -0.0001565200000000, -0.0002800600000000 ] - [ -0.0000430800000000, -0.0001632300000000, 0.0000446800000000 ] - [ 0.0002869800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000073100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000936200000000, -0.0000465100000000, 0.0000218100000000 ] - [ -0.0000936200000000, 0.0000465100000000, -0.0000218100000000 ] - [ -0.0002345000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000050900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001216300000000, -0.0000578700000000, 0.0000307500000000 ] - [ 0.0001216300000000, 0.0000578700000000, -0.0000307500000000 ] - [ 0.0002538600000000, -0.0002617900000000, -0.0001663700000000 ] - [ -0.0003323200000000, -0.0003611400000000, 0.0000121800000000 ] - [ 0.0014845900000000, 0.0000429400000000, 0.0015232400000000 ] - [ 0.0003835600000000, 0.0003055000000000, -0.0000746500000000 ] - [ 0.0014845900000000, -0.0000429400000000, -0.0015232400000000 ] - [ 0.0003835600000000, -0.0003055000000000, 0.0000746500000000 ] - [ 0.0002538600000000, 0.0002617900000000, 0.0001663700000000 ] - [ -0.0003323200000000, 0.0003611400000000, -0.0000121800000000 ] - [ 0.0004088800000000, -0.0002896000000000, -0.0002799700000000 ] - [ 0.0000959900000000, -0.0002760100000000, 0.0000261400000000 ] - [ 0.0017882300000000, 0.0013265400000000, -0.0005259600000000 ] - [ 0.0000309400000000, 0.0002413100000000, -0.0000154000000000 ] - [ 0.0017882300000000, -0.0013265400000000, 0.0005259600000000 ] - [ 0.0000309400000000, -0.0002413100000000, 0.0000154000000000 ] - [ 0.0004088800000000, 0.0002896000000000, 0.0002799700000000 ] - [ 0.0000959900000000, 0.0002760100000000, -0.0000261400000000 ] - [ -0.0005859400000000, -0.0005847200000000, 0.0002428700000000 ] - [ -0.0004309000000000, -0.0003832900000000, -0.0000290100000000 ] - [ 0.0004569400000000, 0.0007241600000000, -0.0003004500000000 ] - [ 0.0004337300000000, 0.0003955400000000, 0.0000385500000000 ] - [ 0.0004569400000000, -0.0007241600000000, 0.0003004500000000 ] - [ 0.0004337300000000, -0.0003955400000000, -0.0000385500000000 ] - [ -0.0005859400000000, 0.0005847200000000, -0.0002428700000000 ] - [ -0.0004309000000000, 0.0003832900000000, 0.0000290100000000 ] - [ -0.0002238600000000, -0.0006173300000000, 0.0007868800000000 ] - [ 0.0000123000000000, -0.0004597000000000, -0.0001423500000000 ] - [ -0.0000801900000000, 0.0019217400000000, -0.0023405200000000 ] - [ -0.0000038700000000, 0.0003460200000000, 0.0000056400000000 ] - [ -0.0000801900000000, -0.0019217400000000, 0.0023405200000000 ] - [ -0.0000038700000000, -0.0003460200000000, -0.0000056400000000 ] - [ -0.0002238600000000, 0.0006173300000000, -0.0007868800000000 ] - [ 0.0000123000000000, 0.0004597000000000, 0.0001423500000000 ] - [ -0.0004004000000000, -0.0001645600000000, 0.0000553200000000 ] - [ -0.0000646400000000, -0.0002469800000000, 0.0000089700000000 ] - [ 0.0007631600000000, 0.0009073000000000, -0.0021478100000000 ] - [ 0.0000483600000000, 0.0002615200000000, -0.0000697500000000 ] - [ 0.0007631600000000, -0.0009073000000000, 0.0021478100000000 ] - [ 0.0000483600000000, -0.0002615200000000, 0.0000697500000000 ] - [ -0.0004004000000000, 0.0001645600000000, -0.0000553200000000 ] - [ -0.0000646400000000, 0.0002469800000000, -0.0000089700000000 ] - [ -0.0000353000000000, 0.0004087400000000, 0.0001193800000000 ] - [ -0.0000910700000000, 0.0004972900000000, 0.0003400300000000 ] - [ -0.0002606300000000, -0.0006872600000000, 0.0003841100000000 ] - [ -0.0000072100000000, -0.0003846800000000, 0.0001654800000000 ] - [ -0.0002606300000000, 0.0006872600000000, -0.0003841100000000 ] - [ -0.0000072100000000, 0.0003846800000000, -0.0001654800000000 ] - [ -0.0000353000000000, -0.0004087400000000, -0.0001193800000000 ] - [ -0.0000910700000000, -0.0004972900000000, -0.0003400300000000 ] - [ -0.0004475400000000, 0.0013588300000000, 0.0004353700000000 ] - [ -0.0000291700000000, 0.0008066800000000, -0.0000395500000000 ] - [ -0.0004475400000000, -0.0013588300000000, -0.0004353700000000 ] - [ -0.0000291700000000, -0.0008066800000000, 0.0000395500000000 ] - [ -0.0001094200000000, -0.0003841300000000, -0.0001048300000000 ] - [ 0.0000258300000000, -0.0002610600000000, 0.0002328300000000 ] - [ -0.0007515200000000, 0.0002595400000000, 0.0002560600000000 ] - [ -0.0001060000000000, 0.0002904300000000, 0.0002208700000000 ] - [ -0.0007515200000000, -0.0002595400000000, -0.0002560600000000 ] - [ -0.0001060000000000, -0.0002904300000000, -0.0002208700000000 ] - [ -0.0001094200000000, 0.0003841300000000, 0.0001048300000000 ] - [ 0.0000258300000000, 0.0002610600000000, -0.0002328300000000 ] - [ -0.0003374000000000, 0.0002901400000000, -0.0001466300000000 ] - [ -0.0001285600000000, 0.0002756100000000, -0.0002474400000000 ] - [ -0.0002294600000000, 0.0001199300000000, 0.0002538600000000 ] - [ 0.0000785800000000, -0.0002927900000000, -0.0001870100000000 ] - [ -0.0002294600000000, -0.0001199300000000, -0.0002538600000000 ] - [ 0.0000785800000000, 0.0002927900000000, 0.0001870100000000 ] - [ -0.0003374000000000, -0.0002901400000000, 0.0001466300000000 ] - [ -0.0001285600000000, -0.0002756100000000, 0.0002474400000000 ] - [ -0.0003793400000000, 0.0003917600000000, 0.0001417800000000 ] - [ -0.0000372900000000, 0.0005571300000000, -0.0000012300000000 ] - [ -0.0003793400000000, -0.0003917600000000, -0.0001417800000000 ] - [ -0.0000372900000000, -0.0005571300000000, 0.0000012300000000 ] - [ 0.0001884000000000, -0.0004301800000000, 0.0001299700000000 ] - [ 0.0000306100000000, -0.0002420600000000, -0.0000312600000000 ] - [ -0.0001968900000000, 0.0004354600000000, -0.0001533300000000 ] - [ -0.0000357400000000, 0.0002321100000000, 0.0000330400000000 ] - [ -0.0001968900000000, -0.0004354600000000, 0.0001533300000000 ] - [ -0.0000357400000000, -0.0002321100000000, -0.0000330400000000 ] - [ 0.0001884000000000, 0.0004301800000000, -0.0001299700000000 ] - [ 0.0000306100000000, 0.0002420600000000, 0.0000312600000000 ] - [ 0.0000748000000000, 0.0004045700000000, 0.0003326800000000 ] - [ 0.0000819900000000, 0.0003179800000000, -0.0001212600000000 ] - [ 0.0034418000000000, 0.0018170500000000, 0.0026107300000000 ] - [ 0.0000046800000000, -0.0004011000000000, 0.0001736400000000 ] - [ 0.0034418000000000, -0.0018170500000000, -0.0026107300000000 ] - [ 0.0000046800000000, 0.0004011000000000, -0.0001736400000000 ] - [ 0.0000748000000000, -0.0004045700000000, -0.0003326800000000 ] - [ 0.0000819900000000, -0.0003179800000000, 0.0001212600000000 ] - [ 0.0002845900000000, 0.0009215800000000, -0.0005214000000000 ] - [ -0.0000005600000000, 0.0008257300000000, 0.0000727800000000 ] - [ 0.0002845900000000, -0.0009215800000000, 0.0005214000000000 ] - [ -0.0000005600000000, -0.0008257300000000, -0.0000727800000000 ] - [ -0.0000929500000000, -0.0004382200000000, 0.0005036400000000 ] - [ 0.0000722700000000, -0.0003097200000000, 0.0002174900000000 ] - [ 0.0001231400000000, 0.0005647400000000, -0.0000864400000000 ] - [ -0.0000598400000000, 0.0002905200000000, 0.0002543700000000 ] - [ 0.0001231400000000, -0.0005647400000000, 0.0000864400000000 ] - [ -0.0000598400000000, -0.0002905200000000, -0.0002543700000000 ] - [ -0.0000929500000000, 0.0004382200000000, -0.0005036400000000 ] - [ 0.0000722700000000, 0.0003097200000000, -0.0002174900000000 ] - [ 0.0001558200000000, 0.0003531300000000, -0.0004537100000000 ] - [ -0.0000633100000000, 0.0003184500000000, -0.0002089600000000 ] - [ 0.0000245800000000, -0.0006334900000000, 0.0002405900000000 ] - [ 0.0000639800000000, -0.0002909100000000, -0.0002561100000000 ] - [ 0.0000245800000000, 0.0006334900000000, -0.0002405900000000 ] - [ 0.0000639800000000, 0.0002909100000000, 0.0002561100000000 ] - [ 0.0001558200000000, -0.0003531300000000, 0.0004537100000000 ] - [ -0.0000633100000000, -0.0003184500000000, 0.0002089600000000 ] - [ 0.0000562200000000, 0.0005913000000000, 0.0000342900000000 ] - [ 0.0000050200000000, 0.0005381500000000, -0.0000031600000000 ] - [ 0.0000562200000000, -0.0005913000000000, -0.0000342900000000 ] - [ 0.0000050200000000, -0.0005381500000000, 0.0000031600000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000331500000000, -0.0002068800000000, 0.0001709600000000 ] - [ -0.0000464000000000, 0.0001412100000000, -0.0000615800000000 ] - [ -0.0001480700000000, -0.0000899400000000, -0.0000344000000000 ] - [ 0.0000433600000000, -0.0001672800000000, 0.0000334700000000 ] - [ -0.0001480700000000, 0.0000899400000000, 0.0000344000000000 ] - [ 0.0000433600000000, 0.0001672800000000, -0.0000334700000000 ] - [ -0.0000331500000000, 0.0002068800000000, -0.0001709600000000 ] - [ -0.0000464000000000, -0.0001412100000000, 0.0000615800000000 ] - [ 0.0125241900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000199300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000867900000000, -0.0000460500000000, -0.0000338100000000 ] - [ -0.0000867900000000, 0.0000460500000000, 0.0000338100000000 ] - [ -0.0020763500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000036100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002736300000000, 0.0000192000000000, 0.0002236600000000 ] - [ 0.0002736300000000, -0.0000192000000000, -0.0002236600000000 ] - [ -0.0005437800000000, 0.0001930200000000, -0.0002784000000000 ] - [ -0.0001759500000000, 0.0001868600000000, 0.0000447400000000 ] - [ 0.0007550000000000, -0.0003989100000000, 0.0001076000000000 ] - [ 0.0001923700000000, -0.0001935200000000, -0.0000346600000000 ] - [ 0.0007550000000000, 0.0003989100000000, -0.0001076000000000 ] - [ 0.0001923700000000, 0.0001935200000000, 0.0000346600000000 ] - [ -0.0005437800000000, -0.0001930200000000, 0.0002784000000000 ] - [ -0.0001759500000000, -0.0001868600000000, -0.0000447400000000 ] - [ -0.0003569700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000777500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001651100000000, 0.0000464500000000, -0.0000221400000000 ] - [ 0.0001651100000000, -0.0000464500000000, 0.0000221400000000 ] - [ 0.0003051900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000767500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001920900000000, 0.0000577500000000, -0.0000310100000000 ] - [ -0.0001920900000000, -0.0000577500000000, 0.0000310100000000 ] - [ -0.0010637600000000, -0.0004702200000000, 0.0001659300000000 ] - [ -0.0004775300000000, -0.0003715900000000, -0.0000120600000000 ] - [ -0.0006851000000000, 0.0006753100000000, -0.0015025300000000 ] - [ 0.0004268200000000, 0.0004281000000000, 0.0000750500000000 ] - [ -0.0006851000000000, -0.0006753100000000, 0.0015025300000000 ] - [ 0.0004268200000000, -0.0004281000000000, -0.0000750500000000 ] - [ -0.0010637600000000, 0.0004702200000000, -0.0001659300000000 ] - [ -0.0004775300000000, 0.0003715900000000, 0.0000120600000000 ] - [ -0.0004100800000000, -0.0002402600000000, 0.0002664300000000 ] - [ -0.0000965900000000, -0.0002548000000000, -0.0000354100000000 ] - [ -0.0017768100000000, -0.0007918700000000, 0.0005109500000000 ] - [ -0.0000309000000000, 0.0002900900000000, 0.0000047800000000 ] - [ -0.0017768100000000, 0.0007918700000000, -0.0005109500000000 ] - [ -0.0000309000000000, -0.0002900900000000, -0.0000047800000000 ] - [ -0.0004100800000000, 0.0002402600000000, -0.0002664300000000 ] - [ -0.0000965900000000, 0.0002548000000000, 0.0000354100000000 ] - [ -0.0002256200000000, -0.0001482100000000, -0.0002424100000000 ] - [ -0.0003788000000000, -0.0003495000000000, 0.0000290200000000 ] - [ 0.0003529300000000, 0.0000091000000000, 0.0002993400000000 ] - [ 0.0003765000000000, 0.0003372000000000, -0.0000385200000000 ] - [ 0.0003529300000000, -0.0000091000000000, -0.0002993400000000 ] - [ 0.0003765000000000, -0.0003372000000000, 0.0000385200000000 ] - [ -0.0002256200000000, 0.0001482100000000, 0.0002424100000000 ] - [ -0.0003788000000000, 0.0003495000000000, -0.0000290200000000 ] - [ 0.0002235800000000, 0.0000861000000000, -0.0007991700000000 ] - [ -0.0000120200000000, -0.0000724300000000, 0.0001317800000000 ] - [ 0.0000781700000000, -0.0013894700000000, 0.0023252700000000 ] - [ 0.0000041400000000, 0.0001856800000000, -0.0000164500000000 ] - [ 0.0000781700000000, 0.0013894700000000, -0.0023252700000000 ] - [ 0.0000041400000000, -0.0001856800000000, 0.0000164500000000 ] - [ 0.0002235800000000, -0.0000861000000000, 0.0007991700000000 ] - [ -0.0000120200000000, 0.0000724300000000, -0.0001317800000000 ] - [ 0.0003760400000000, -0.0003213900000000, -0.0000562900000000 ] - [ 0.0000386800000000, -0.0002386500000000, -0.0000091000000000 ] - [ -0.0007374600000000, -0.0004203900000000, 0.0021221400000000 ] - [ -0.0000216500000000, 0.0002242800000000, 0.0000699100000000 ] - [ -0.0007374600000000, 0.0004203900000000, -0.0021221400000000 ] - [ -0.0000216500000000, -0.0002242800000000, -0.0000699100000000 ] - [ 0.0003760400000000, 0.0003213900000000, 0.0000562900000000 ] - [ 0.0000386800000000, 0.0002386500000000, 0.0000091000000000 ] - [ 0.0000359000000000, 0.0003608600000000, 0.0002234700000000 ] - [ 0.0000921400000000, 0.0002718200000000, 0.0000036100000000 ] - [ 0.0002599800000000, -0.0000835800000000, -0.0000395300000000 ] - [ 0.0000075600000000, -0.0003852600000000, 0.0001780100000000 ] - [ 0.0002599800000000, 0.0000835800000000, 0.0000395300000000 ] - [ 0.0000075600000000, 0.0003852600000000, -0.0001780100000000 ] - [ 0.0000359000000000, -0.0003608600000000, -0.0002234700000000 ] - [ 0.0000921400000000, -0.0002718200000000, -0.0000036100000000 ] - [ 0.0004452700000000, 0.0002009900000000, -0.0004318600000000 ] - [ 0.0000298200000000, 0.0007499200000000, 0.0000392100000000 ] - [ 0.0004452700000000, -0.0002009900000000, 0.0004318600000000 ] - [ 0.0000298200000000, -0.0007499200000000, -0.0000392100000000 ] - [ 0.0002681400000000, -0.0001865800000000, 0.0005756100000000 ] - [ 0.0001301700000000, -0.0003126300000000, 0.0002410500000000 ] - [ 0.0005945900000000, 0.0003131000000000, 0.0002170500000000 ] - [ -0.0000488400000000, 0.0002829500000000, 0.0002516900000000 ] - [ 0.0005945900000000, -0.0003131000000000, -0.0002170500000000 ] - [ -0.0000488400000000, -0.0002829500000000, -0.0002516900000000 ] - [ 0.0002681400000000, 0.0001865800000000, -0.0005756100000000 ] - [ 0.0001301700000000, 0.0003126300000000, -0.0002410500000000 ] - [ 0.0001827300000000, 0.0002830300000000, -0.0003266800000000 ] - [ -0.0000258100000000, 0.0002977200000000, -0.0002265000000000 ] - [ 0.0003972300000000, -0.0006722600000000, -0.0007188000000000 ] - [ 0.0000773700000000, -0.0002805800000000, -0.0002861800000000 ] - [ 0.0003972300000000, 0.0006722600000000, 0.0007188000000000 ] - [ 0.0000773700000000, 0.0002805800000000, 0.0002861800000000 ] - [ 0.0001827300000000, -0.0002830300000000, 0.0003266800000000 ] - [ -0.0000258100000000, -0.0002977200000000, 0.0002265000000000 ] - [ 0.0003809400000000, 0.0007019100000000, -0.0001402000000000 ] - [ 0.0000379200000000, 0.0005393800000000, 0.0000016300000000 ] - [ 0.0003809400000000, -0.0007019100000000, 0.0001402000000000 ] - [ 0.0000379200000000, -0.0005393800000000, -0.0000016300000000 ] - [ -0.0002141300000000, -0.0000555100000000, -0.0001303900000000 ] - [ -0.0000565800000000, -0.0002436000000000, 0.0000311600000000 ] - [ 0.0002228600000000, 0.0000505500000000, 0.0001530700000000 ] - [ 0.0000624700000000, 0.0002535400000000, -0.0000329400000000 ] - [ 0.0002228600000000, -0.0000505500000000, -0.0001530700000000 ] - [ 0.0000624700000000, -0.0002535400000000, 0.0000329400000000 ] - [ -0.0002141300000000, 0.0000555100000000, 0.0001303900000000 ] - [ -0.0000565800000000, 0.0002436000000000, -0.0000311600000000 ] - [ -0.0000741200000000, 0.0003655200000000, 0.0000106600000000 ] - [ -0.0000818900000000, 0.0004522300000000, 0.0004648900000000 ] - [ -0.0035254900000000, -0.0027000000000000, -0.0023148600000000 ] - [ -0.0000044800000000, -0.0003687900000000, 0.0001697400000000 ] - [ -0.0035254900000000, 0.0027000000000000, 0.0023148600000000 ] - [ -0.0000044800000000, 0.0003687900000000, -0.0001697400000000 ] - [ -0.0000741200000000, -0.0003655200000000, -0.0000106600000000 ] - [ -0.0000818900000000, -0.0004522300000000, -0.0004648900000000 ] - [ -0.0002834900000000, 0.0006360700000000, 0.0005193400000000 ] - [ 0.0000009200000000, 0.0007313600000000, -0.0000730300000000 ] - [ -0.0002834900000000, -0.0006360700000000, -0.0005193400000000 ] - [ 0.0000009200000000, -0.0007313600000000, 0.0000730300000000 ] - [ 0.0002485200000000, -0.0001350900000000, -0.0000295100000000 ] - [ 0.0000832700000000, -0.0002639600000000, 0.0002560700000000 ] - [ -0.0002781800000000, 0.0000080800000000, 0.0005596500000000 ] - [ -0.0000953200000000, 0.0002829100000000, 0.0002183500000000 ] - [ -0.0002781800000000, -0.0000080800000000, -0.0005596500000000 ] - [ -0.0000953200000000, -0.0002829100000000, -0.0002183500000000 ] - [ 0.0002485200000000, 0.0001350900000000, 0.0000295100000000 ] - [ 0.0000832700000000, 0.0002639600000000, -0.0002560700000000 ] - [ -0.0003109200000000, 0.0002199200000000, -0.0000195700000000 ] - [ -0.0000913100000000, 0.0002550100000000, -0.0002648000000000 ] - [ 0.0001317500000000, 0.0000590300000000, -0.0007112600000000 ] - [ 0.0000918400000000, -0.0002826000000000, -0.0002166700000000 ] - [ 0.0001317500000000, -0.0000590300000000, 0.0007112600000000 ] - [ 0.0000918400000000, 0.0002826000000000, 0.0002166700000000 ] - [ -0.0003109200000000, -0.0002199200000000, 0.0000195700000000 ] - [ -0.0000913100000000, -0.0002550100000000, 0.0002648000000000 ] - [ -0.0000555200000000, 0.0005053900000000, -0.0000341400000000 ] - [ -0.0000047700000000, 0.0005579200000000, 0.0000035900000000 ] - [ -0.0000555200000000, -0.0005053900000000, 0.0000341400000000 ] - [ -0.0000047700000000, -0.0005579200000000, -0.0000035900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001059300000000, 0.0002132700000000, -0.0003038400000000 ] - [ -0.0001146000000000, 0.0001775300000000, -0.0000049500000000 ] - [ 0.0002086300000000, -0.0002690800000000, -0.0000819700000000 ] - [ 0.0001061400000000, -0.0001701400000000, 0.0000041400000000 ] - [ 0.0000109700000000, 0.0000805200000000, -0.0000820700000000 ] - [ 0.0001132300000000, 0.0001800800000000, 0.0000043200000000 ] - [ -0.0003241200000000, -0.0001348200000000, -0.0003014200000000 ] - [ -0.0001046100000000, -0.0001726700000000, -0.0000050700000000 ] - [ 0.0000838300000000, -0.0113497200000000, -0.0007006400000000 ] - [ -0.0000355600000000, -0.0000177700000000, -0.0000107000000000 ] - [ -0.0000102400000000, -0.0001173100000000, -0.0000103600000000 ] - [ 0.0000817600000000, -0.0001171300000000, -0.0000102100000000 ] - [ 0.0000381800000000, -0.0010782900000000, -0.0002505900000000 ] - [ 0.0000356500000000, -0.0000188700000000, -0.0000213000000000 ] - [ -0.0000540700000000, -0.0001082200000000, -0.0000771300000000 ] - [ -0.0000162800000000, -0.0001088100000000, -0.0000790100000000 ] - [ 0.0002227400000000, 0.0004453000000000, 0.0004832300000000 ] - [ -0.0000591400000000, 0.0001865300000000, -0.0000713800000000 ] - [ 0.0003412500000000, 0.0004775900000000, 0.0009058400000000 ] - [ 0.0001591200000000, -0.0001593900000000, -0.0000580100000000 ] - [ -0.0001215700000000, 0.0008229700000000, 0.0008983800000000 ] - [ 0.0000608300000000, 0.0001909000000000, -0.0000578600000000 ] - [ -0.0004413500000000, 0.0000962200000000, 0.0004825900000000 ] - [ -0.0001603500000000, -0.0001637500000000, -0.0000714900000000 ] - [ -0.0000358900000000, 0.0001957200000000, 0.0001428800000000 ] - [ -0.0000355800000000, 0.0000082700000000, -0.0000166300000000 ] - [ 0.0000826100000000, 0.0000295800000000, -0.0000321500000000 ] - [ -0.0000104800000000, 0.0000296100000000, -0.0000316900000000 ] - [ 0.0000361300000000, 0.0002496700000000, 0.0001175400000000 ] - [ 0.0000359500000000, 0.0000082100000000, -0.0000275200000000 ] - [ -0.0000937800000000, 0.0000368100000000, -0.0000098100000000 ] - [ 0.0000219100000000, 0.0000367700000000, -0.0000097500000000 ] - [ -0.0004534600000000, -0.0006605100000000, 0.0003796600000000 ] - [ -0.0004009100000000, -0.0003749200000000, -0.0000344400000000 ] - [ -0.0004314100000000, -0.0009283400000000, 0.0014146400000000 ] - [ 0.0004185300000000, 0.0003477600000000, -0.0000455800000000 ] - [ 0.0012294100000000, -0.0016474600000000, 0.0014115000000000 ] - [ 0.0003921600000000, -0.0003860200000000, -0.0000460100000000 ] - [ -0.0003579500000000, 0.0000707900000000, 0.0003807500000000 ] - [ -0.0004098600000000, 0.0003580400000000, -0.0000344700000000 ] - [ 0.0000940800000000, -0.0003221600000000, 0.0003091400000000 ] - [ -0.0000237100000000, -0.0002716800000000, -0.0000267700000000 ] - [ 0.0008268400000000, 0.0015537300000000, -0.0002709000000000 ] - [ 0.0000039800000000, 0.0002586000000000, -0.0000434400000000 ] - [ -0.0008276300000000, 0.0010167900000000, -0.0002600200000000 ] - [ -0.0000041900000000, -0.0002727100000000, -0.0000326200000000 ] - [ -0.0000952300000000, 0.0002089800000000, 0.0003200600000000 ] - [ 0.0000228700000000, 0.0002590100000000, -0.0000171700000000 ] - [ -0.0004418300000000, 0.0002386600000000, -0.0007487200000000 ] - [ -0.0004348400000000, -0.0003019700000000, -0.0000021600000000 ] - [ 0.0002565400000000, 0.0008415400000000, -0.0003921800000000 ] - [ 0.0003851300000000, 0.0004307300000000, -0.0000104000000000 ] - [ 0.0005517700000000, 0.0001075100000000, -0.0003915100000000 ] - [ 0.0004252400000000, -0.0003021300000000, -0.0000103300000000 ] - [ -0.0003687000000000, 0.0009692300000000, -0.0007413800000000 ] - [ -0.0003755900000000, 0.0004309100000000, -0.0000023200000000 ] - [ 0.0002010600000000, 0.0003571900000000, -0.0008122300000000 ] - [ -0.0000187100000000, 0.0000356700000000, 0.0001243000000000 ] - [ 0.0006055300000000, 0.0025446000000000, -0.0020338700000000 ] - [ 0.0000010100000000, 0.0003902200000000, -0.0000317300000000 ] - [ -0.0006234300000000, 0.0020221400000000, -0.0020160200000000 ] - [ -0.0000009800000000, -0.0001412000000000, -0.0000207400000000 ] - [ -0.0002007200000000, 0.0008864800000000, -0.0007999000000000 ] - [ 0.0000186800000000, 0.0005672700000000, 0.0001347700000000 ] - [ 0.0001009500000000, 0.0000089700000000, -0.0000681800000000 ] - [ 0.0000012200000000, -0.0002179900000000, 0.0000110300000000 ] - [ 0.0004671000000000, 0.0014622200000000, -0.0022364300000000 ] - [ 0.0000373000000000, 0.0002722000000000, 0.0000250400000000 ] - [ -0.0004385700000000, 0.0009983400000000, -0.0022424200000000 ] - [ -0.0000098700000000, -0.0002124200000000, 0.0000245900000000 ] - [ -0.0001268400000000, 0.0004932800000000, -0.0000673900000000 ] - [ -0.0000285300000000, 0.0002666900000000, 0.0000110400000000 ] - [ 0.0000061900000000, 0.0004167000000000, 0.0001952600000000 ] - [ -0.0000664700000000, 0.0004664700000000, 0.0001703700000000 ] - [ -0.0000953500000000, -0.0005382800000000, 0.0002046000000000 ] - [ -0.0000002200000000, -0.0003886000000000, 0.0001943900000000 ] - [ 0.0000954000000000, 0.0002314100000000, -0.0001392400000000 ] - [ 0.0000002600000000, 0.0003814800000000, -0.0001499700000000 ] - [ -0.0000059000000000, -0.0003531200000000, -0.0001485400000000 ] - [ 0.0000669200000000, -0.0003032400000000, -0.0001736000000000 ] - [ 0.0001545400000000, 0.0004472000000000, -0.0003517800000000 ] - [ 0.0000077000000000, 0.0007784400000000, 0.0000317700000000 ] - [ -0.0001538300000000, -0.0011074800000000, -0.0003515500000000 ] - [ -0.0000073400000000, -0.0007764200000000, 0.0000320400000000 ] - [ 0.0004182500000000, -0.0000619800000000, -0.0001295700000000 ] - [ 0.0000621000000000, -0.0002856900000000, 0.0002493200000000 ] - [ 0.0003717100000000, 0.0002419200000000, 0.0000924000000000 ] - [ -0.0000745600000000, 0.0002904500000000, 0.0002478700000000 ] - [ -0.0005279500000000, -0.0003322200000000, -0.0003822300000000 ] - [ -0.0000792400000000, -0.0002836700000000, -0.0002260300000000 ] - [ -0.0002633100000000, 0.0005113100000000, -0.0006032700000000 ] - [ 0.0000922300000000, 0.0002886600000000, -0.0002257600000000 ] - [ -0.0000715000000000, 0.0003289800000000, -0.0003384400000000 ] - [ -0.0000685500000000, 0.0002886200000000, -0.0002182400000000 ] - [ 0.0003163800000000, -0.0003573600000000, -0.0001210200000000 ] - [ 0.0000764400000000, -0.0002865300000000, -0.0002188700000000 ] - [ -0.0001512300000000, 0.0002173300000000, 0.0003534900000000 ] - [ 0.0000778400000000, 0.0002875800000000, 0.0002555200000000 ] - [ -0.0000817100000000, -0.0002449600000000, 0.0001363800000000 ] - [ -0.0000847400000000, -0.0002854900000000, 0.0002569100000000 ] - [ -0.0000095000000000, 0.0009259900000000, -0.0002165400000000 ] - [ 0.0000019000000000, 0.0005682000000000, 0.0000127600000000 ] - [ 0.0000113000000000, -0.0001687500000000, -0.0002178900000000 ] - [ -0.0000014800000000, -0.0005296500000000, 0.0000123600000000 ] - [ 0.0000902800000000, -0.0006279300000000, 0.0000913700000000 ] - [ -0.0000168800000000, -0.0002871100000000, 0.0000320600000000 ] - [ 0.0001107600000000, -0.0001475100000000, 0.0000795200000000 ] - [ 0.0000152000000000, 0.0001994200000000, 0.0000409600000000 ] - [ -0.0000830800000000, -0.0006325200000000, 0.0000799900000000 ] - [ 0.0000124300000000, -0.0002850900000000, 0.0000409700000000 ] - [ -0.0001178300000000, -0.0001434300000000, 0.0000930200000000 ] - [ -0.0000105900000000, 0.0001975900000000, 0.0000322200000000 ] - [ -0.0000383400000000, 0.0003009900000000, -0.0000067800000000 ] - [ -0.0000009700000000, 0.0004082800000000, 0.0005115400000000 ] - [ 0.0024566200000000, 0.0023812900000000, 0.0023066100000000 ] - [ 0.0000006500000000, -0.0004230900000000, 0.0002097000000000 ] - [ -0.0025731400000000, 0.0032514200000000, 0.0020128700000000 ] - [ -0.0000005300000000, 0.0003469700000000, -0.0001346200000000 ] - [ 0.0000385000000000, -0.0004690400000000, -0.0003504600000000 ] - [ 0.0000006100000000, -0.0003621200000000, 0.0001667400000000 ] - [ -0.0003183300000000, 0.0003305100000000, 0.0006503900000000 ] - [ 0.0000031300000000, 0.0006743100000000, -0.0000482000000000 ] - [ 0.0003192300000000, -0.0012224300000000, 0.0006486600000000 ] - [ -0.0000030100000000, -0.0008809300000000, -0.0000478100000000 ] - [ -0.0000571800000000, -0.0005860700000000, 0.0004377900000000 ] - [ 0.0000618800000000, -0.0003293600000000, 0.0002145800000000 ] - [ -0.0001514600000000, -0.0001878000000000, 0.0008940200000000 ] - [ -0.0000793500000000, 0.0002523100000000, 0.0002573800000000 ] - [ -0.0000015600000000, -0.0007594600000000, 0.0004146100000000 ] - [ -0.0000747900000000, -0.0003218300000000, -0.0002165200000000 ] - [ 0.0002113200000000, -0.0000123200000000, -0.0000375500000000 ] - [ 0.0000918700000000, 0.0002448800000000, -0.0002604200000000 ] - [ -0.0001618200000000, 0.0001002500000000, -0.0000657600000000 ] - [ -0.0000847700000000, 0.0002449500000000, -0.0002683200000000 ] - [ -0.0000103000000000, -0.0006738100000000, 0.0002717800000000 ] - [ 0.0000726800000000, -0.0003222400000000, -0.0002140200000000 ] - [ 0.0001654900000000, -0.0000976000000000, 0.0007433500000000 ] - [ 0.0000815800000000, 0.0002519400000000, 0.0002598600000000 ] - [ 0.0000084900000000, -0.0004740500000000, 0.0004081000000000 ] - [ -0.0000688000000000, -0.0003291600000000, 0.0002067300000000 ] - [ 0.0000616800000000, 0.0001795200000000, 0.0002543800000000 ] - [ 0.0000026200000000, 0.0005098400000000, -0.0000070600000000 ] - [ -0.0000596800000000, -0.0009167900000000, 0.0002523300000000 ] - [ -0.0000025600000000, -0.0005876400000000, -0.0000074700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004125000000000, -0.0004454400000000, -0.0002065600000000 ] - [ -0.0001145800000000, 0.0001959200000000, 0.0001579500000000 ] - [ 0.0000689800000000, -0.0003235600000000, -0.0001712600000000 ] - [ 0.0000971600000000, -0.0001789100000000, 0.0001408700000000 ] - [ 0.0001506500000000, 0.0000258800000000, -0.0001709700000000 ] - [ 0.0001222700000000, 0.0001706300000000, 0.0001410100000000 ] - [ 0.0001933500000000, -0.0007954700000000, -0.0002064300000000 ] - [ -0.0001043800000000, -0.0001530800000000, 0.0001578500000000 ] - [ -0.0001848500000000, -0.0007052000000000, -0.0187982300000000 ] - [ -0.0000354200000000, -0.0000183700000000, 0.0001535600000000 ] - [ 0.0000696900000000, 0.0000026000000000, 0.0001009800000000 ] - [ 0.0000015800000000, 0.0000026700000000, 0.0001012900000000 ] - [ 0.0000384500000000, -0.0002431100000000, -0.0006075600000000 ] - [ 0.0000355700000000, -0.0000137200000000, 0.0001055200000000 ] - [ 0.0001881400000000, 0.0000861700000000, 0.0005512400000000 ] - [ -0.0002572600000000, 0.0000852600000000, 0.0005511000000000 ] - [ -0.0001272600000000, 0.0002844400000000, 0.0000037400000000 ] - [ -0.0001057200000000, 0.0001676100000000, 0.0001102100000000 ] - [ 0.0000404100000000, 0.0006617800000000, 0.0002878300000000 ] - [ 0.0001349400000000, -0.0001981500000000, 0.0001359700000000 ] - [ 0.0001793300000000, 0.0010048000000000, 0.0002870800000000 ] - [ 0.0000847600000000, 0.0001515500000000, 0.0001360200000000 ] - [ -0.0000907100000000, -0.0000650800000000, 0.0000017300000000 ] - [ -0.0001133900000000, -0.0001815100000000, 0.0001101100000000 ] - [ -0.0000355200000000, 0.0001352500000000, -0.0000631700000000 ] - [ -0.0000353400000000, -0.0000242300000000, 0.0001248000000000 ] - [ 0.0000578300000000, 0.0000243900000000, 0.0000085200000000 ] - [ 0.0000138500000000, 0.0000243100000000, 0.0000083800000000 ] - [ 0.0000354900000000, 0.0001251300000000, -0.0001350200000000 ] - [ 0.0000357900000000, -0.0000199200000000, 0.0001032800000000 ] - [ -0.0000664300000000, 0.0000175400000000, -0.0000045500000000 ] - [ -0.0000047700000000, 0.0000174000000000, -0.0000047600000000 ] - [ -0.0007397000000000, 0.0001423600000000, -0.0000307300000000 ] - [ -0.0003536400000000, -0.0003923900000000, 0.0001876700000000 ] - [ 0.0034296900000000, 0.0025473800000000, -0.0002993900000000 ] - [ 0.0004127500000000, 0.0004761000000000, 0.0003015900000000 ] - [ -0.0026166000000000, 0.0018136500000000, -0.0003034600000000 ] - [ 0.0003983700000000, -0.0002577700000000, 0.0003011700000000 ] - [ -0.0000706400000000, 0.0008773400000000, -0.0000317000000000 ] - [ -0.0004571900000000, 0.0003407600000000, 0.0001877100000000 ] - [ -0.0005595600000000, 0.0001408200000000, -0.0001493400000000 ] - [ 0.0001641200000000, -0.0004993800000000, 0.0000389600000000 ] - [ 0.0006520600000000, 0.0009986000000000, -0.0001563600000000 ] - [ -0.0000415000000000, 0.0001915800000000, 0.0002483700000000 ] - [ -0.0006538600000000, 0.0004688800000000, -0.0001492500000000 ] - [ 0.0000414500000000, -0.0003396200000000, 0.0002590700000000 ] - [ 0.0005595600000000, 0.0006735000000000, -0.0001408800000000 ] - [ -0.0001647300000000, 0.0000313000000000, 0.0000486100000000 ] - [ -0.0004242700000000, -0.0004827000000000, -0.0003487000000000 ] - [ -0.0004160000000000, -0.0003741200000000, 0.0002097500000000 ] - [ 0.0002175500000000, 0.0003377700000000, -0.0005829300000000 ] - [ 0.0003702800000000, 0.0003430600000000, 0.0002177700000000 ] - [ 0.0005937300000000, -0.0003939400000000, -0.0005814600000000 ] - [ 0.0004407500000000, -0.0003899600000000, 0.0002180800000000 ] - [ -0.0003868600000000, 0.0002497600000000, -0.0003502900000000 ] - [ -0.0003945100000000, 0.0003589400000000, 0.0002096300000000 ] - [ -0.0001672100000000, -0.0005594700000000, 0.0008672600000000 ] - [ 0.0000718400000000, -0.0001675900000000, 0.0003660300000000 ] - [ -0.0008525700000000, 0.0001233000000000, -0.0025090200000000 ] - [ 0.0000028300000000, 0.0002500100000000, 0.0002418400000000 ] - [ 0.0008560400000000, -0.0004121900000000, -0.0024814600000000 ] - [ -0.0000026400000000, -0.0002812400000000, 0.0002528900000000 ] - [ 0.0001700800000000, -0.0000303000000000, 0.0008845100000000 ] - [ -0.0000709400000000, 0.0003635200000000, 0.0003753600000000 ] - [ -0.0003118000000000, -0.0001981800000000, 0.0000967000000000 ] - [ -0.0000064800000000, -0.0002371100000000, -0.0001282700000000 ] - [ -0.0015192000000000, -0.0022169300000000, 0.0078019100000000 ] - [ -0.0000028900000000, 0.0002439000000000, -0.0002135000000000 ] - [ 0.0016947500000000, -0.0027780500000000, 0.0081198100000000 ] - [ 0.0000309100000000, -0.0002406800000000, -0.0002138700000000 ] - [ 0.0002826800000000, 0.0002868100000000, 0.0000963800000000 ] - [ -0.0000212300000000, 0.0002474500000000, -0.0001281400000000 ] - [ -0.0000590600000000, 0.0004676700000000, 0.0001243900000000 ] - [ 0.0001767900000000, 0.0000920100000000, -0.0000499800000000 ] - [ -0.0001226500000000, -0.0007351300000000, 0.0006432000000000 ] - [ 0.0000044100000000, -0.0003071100000000, -0.0000221400000000 ] - [ 0.0001226000000000, 0.0000356200000000, 0.0002989100000000 ] - [ -0.0000042700000000, 0.0004633300000000, -0.0003668100000000 ] - [ 0.0000593000000000, -0.0003027500000000, -0.0002199300000000 ] - [ -0.0001767000000000, -0.0006787200000000, -0.0003941400000000 ] - [ 0.0001591000000000, 0.0005407600000000, 0.0000674100000000 ] - [ -0.0000481800000000, 0.0008778500000000, -0.0001597200000000 ] - [ -0.0001578000000000, -0.0010133400000000, 0.0000686800000000 ] - [ 0.0000486000000000, -0.0006772800000000, -0.0001595500000000 ] - [ -0.0006067100000000, -0.0007675800000000, 0.0003538100000000 ] - [ 0.0001954000000000, -0.0003496300000000, 0.0001594400000000 ] - [ 0.0002317100000000, 0.0000614200000000, 0.0003435900000000 ] - [ -0.0001008100000000, 0.0003337100000000, 0.0001145600000000 ] - [ -0.0003852900000000, -0.0005131700000000, -0.0001304200000000 ] - [ -0.0000531000000000, -0.0002407900000000, -0.0003593200000000 ] - [ 0.0007598400000000, -0.0001920900000000, -0.0001217900000000 ] - [ -0.0000405600000000, 0.0002249900000000, -0.0003154300000000 ] - [ 0.0000872800000000, 0.0001663100000000, -0.0002122000000000 ] - [ -0.0001222900000000, 0.0002775500000000, -0.0003253100000000 ] - [ -0.0001927700000000, -0.0006995200000000, -0.0003086300000000 ] - [ 0.0000799600000000, -0.0002345600000000, -0.0004372800000000 ] - [ 0.0003458700000000, -0.0001242700000000, 0.0001716500000000 ] - [ 0.0000746200000000, 0.0003399400000000, 0.0000370400000000 ] - [ -0.0002410400000000, -0.0004086700000000, 0.0002631200000000 ] - [ -0.0000311800000000, -0.0002969800000000, 0.0001497200000000 ] - [ 0.0006240900000000, 0.0001061100000000, 0.0000157400000000 ] - [ -0.0000442700000000, 0.0005355100000000, -0.0000564800000000 ] - [ -0.0006258100000000, -0.0009943500000000, 0.0000158100000000 ] - [ 0.0000446100000000, -0.0005620000000000, -0.0000569800000000 ] - [ -0.0000009100000000, -0.0003317600000000, 0.0001675300000000 ] - [ -0.0000131100000000, -0.0002460500000000, -0.0001295300000000 ] - [ 0.0000214000000000, 0.0000856300000000, 0.0002609400000000 ] - [ 0.0000081300000000, 0.0002256000000000, -0.0001493900000000 ] - [ 0.0000065300000000, -0.0003986000000000, 0.0002614600000000 ] - [ 0.0000201300000000, -0.0002587600000000, -0.0001492000000000 ] - [ -0.0000266500000000, 0.0001528400000000, 0.0001671700000000 ] - [ -0.0000147800000000, 0.0002384500000000, -0.0001293400000000 ] - [ 0.0000697300000000, 0.0002098200000000, -0.0000567900000000 ] - [ -0.0000765900000000, 0.0004414200000000, 0.0000253200000000 ] - [ 0.0019636000000000, 0.0011129600000000, 0.0026445300000000 ] - [ -0.0000005200000000, -0.0003178300000000, -0.0000291900000000 ] - [ -0.0019790300000000, 0.0019010500000000, 0.0022890300000000 ] - [ 0.0000006100000000, 0.0004526100000000, -0.0003740600000000 ] - [ -0.0000694000000000, -0.0005598000000000, -0.0004005100000000 ] - [ 0.0000764200000000, -0.0003289300000000, -0.0003193700000000 ] - [ 0.0006270700000000, 0.0009395000000000, -0.0000363900000000 ] - [ -0.0000021000000000, 0.0007565300000000, -0.0001651100000000 ] - [ -0.0006328500000000, -0.0006151300000000, -0.0000376900000000 ] - [ 0.0000022300000000, -0.0007989400000000, -0.0001647000000000 ] - [ 0.0003218000000000, 0.0000560100000000, 0.0001939900000000 ] - [ 0.0000853600000000, -0.0003392900000000, 0.0000692000000000 ] - [ -0.0000984900000000, 0.0003654300000000, 0.0006120100000000 ] - [ -0.0000854200000000, 0.0003149900000000, 0.0001274300000000 ] - [ -0.0000561200000000, -0.0002086600000000, 0.0001405600000000 ] - [ -0.0000688600000000, -0.0002595200000000, -0.0003464800000000 ] - [ -0.0001662200000000, 0.0006277700000000, -0.0002803200000000 ] - [ 0.0000688300000000, 0.0002352000000000, -0.0004060400000000 ] - [ -0.0000427900000000, 0.0004873500000000, -0.0002025700000000 ] - [ -0.0000710300000000, 0.0002554300000000, -0.0003716500000000 ] - [ 0.0002332800000000, -0.0004639600000000, 0.0005203500000000 ] - [ 0.0000686600000000, -0.0002558500000000, -0.0003455800000000 ] - [ -0.0000778900000000, 0.0001093500000000, 0.0009926800000000 ] - [ 0.0000858900000000, 0.0003187000000000, 0.0001282900000000 ] - [ -0.0001115800000000, -0.0000859100000000, 0.0002724000000000 ] - [ -0.0000827800000000, -0.0003190500000000, 0.0001035000000000 ] - [ -0.0000547400000000, 0.0005547900000000, 0.0001198200000000 ] - [ -0.0000001900000000, 0.0005442400000000, -0.0000476200000000 ] - [ 0.0000549000000000, -0.0005421600000000, 0.0001195000000000 ] - [ 0.0000002400000000, -0.0005530500000000, -0.0000480200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015810700000000, -0.0018274700000000, 0.0000000000000000 ] - [ -0.0000704200000000, 0.0001514700000000, 0.0000000000000000 ] - [ 0.0002153600000000, -0.0000885200000000, -0.0002627000000000 ] - [ 0.0002153600000000, -0.0000885200000000, 0.0002627000000000 ] - [ -0.0032807900000000, 0.0022070000000000, 0.0000000000000000 ] - [ 0.0000714700000000, 0.0001885600000000, 0.0000000000000000 ] - [ -0.0001838300000000, 0.0000534800000000, -0.0001766200000000 ] - [ -0.0001838300000000, 0.0000534800000000, 0.0001766200000000 ] - [ 0.0006245000000000, -0.0000476400000000, -0.0003367300000000 ] - [ 0.0000374200000000, 0.0000042900000000, 0.0000516700000000 ] - [ 0.0011254400000000, -0.0008328200000000, -0.0030381500000000 ] - [ 0.0000140800000000, 0.0000134100000000, -0.0000072700000000 ] - [ 0.0011254400000000, -0.0008328200000000, 0.0030381500000000 ] - [ 0.0000140800000000, 0.0000134100000000, 0.0000072700000000 ] - [ 0.0006245000000000, -0.0000476400000000, 0.0003367300000000 ] - [ 0.0000374200000000, 0.0000042900000000, -0.0000516700000000 ] - [ 0.0007589800000000, -0.0026831900000000, 0.0000000000000000 ] - [ -0.0001273300000000, 0.0001716000000000, 0.0000000000000000 ] - [ 0.0003743400000000, -0.0002443000000000, 0.0000539500000000 ] - [ 0.0003743400000000, -0.0002443000000000, -0.0000539500000000 ] - [ 0.0008692700000000, 0.0005246800000000, 0.0000000000000000 ] - [ 0.0001341300000000, 0.0001838900000000, 0.0000000000000000 ] - [ -0.0002347500000000, -0.0001679500000000, 0.0001513200000000 ] - [ -0.0002347500000000, -0.0001679500000000, -0.0001513200000000 ] - [ -0.0002162300000000, -0.0000348700000000, -0.0000188400000000 ] - [ -0.0000614000000000, -0.0000295100000000, -0.0000107600000000 ] - [ 0.0000888800000000, -0.0001462200000000, 0.0001881900000000 ] - [ 0.0000652300000000, -0.0000201300000000, 0.0000354100000000 ] - [ 0.0000888800000000, -0.0001462200000000, -0.0001881900000000 ] - [ 0.0000652300000000, -0.0000201300000000, -0.0000354100000000 ] - [ -0.0002162300000000, -0.0000348700000000, 0.0000188400000000 ] - [ -0.0000614000000000, -0.0000295100000000, 0.0000107600000000 ] - [ -0.1797449800000000, -0.0140144900000000, 0.0000000000000000 ] - [ -0.0004771600000000, -0.0003390900000000, 0.0000000000000000 ] - [ 0.0001349100000000, 0.0010950200000000, -0.0007061800000000 ] - [ 0.0001349100000000, 0.0010950200000000, 0.0007061800000000 ] - [ 0.0181662100000000, 0.0086190700000000, 0.0000000000000000 ] - [ 0.0004090000000000, -0.0003444900000000, 0.0000000000000000 ] - [ -0.0002980400000000, 0.0001660900000000, 0.0000402200000000 ] - [ -0.0002980400000000, 0.0001660900000000, -0.0000402200000000 ] - [ -0.0050223900000000, 0.0020551100000000, 0.0051432700000000 ] - [ -0.0000509800000000, -0.0001923300000000, 0.0000216000000000 ] - [ -0.0009649200000000, 0.0002932900000000, -0.0013474500000000 ] - [ -0.0002526200000000, 0.0002661600000000, -0.0000020000000000 ] - [ -0.0050223900000000, 0.0020551100000000, -0.0051432700000000 ] - [ -0.0000509800000000, -0.0001923300000000, -0.0000216000000000 ] - [ -0.0002526200000000, 0.0002661600000000, 0.0000020000000000 ] - [ -0.0009649200000000, 0.0002932900000000, 0.0013474500000000 ] - [ 0.0000978800000000, -0.0002571900000000, 0.0000000000000000 ] - [ -0.0004023900000000, -0.0003548400000000, 0.0000000000000000 ] - [ 0.0004625200000000, 0.0004667700000000, -0.0001403500000000 ] - [ 0.0004625200000000, 0.0004667700000000, 0.0001403500000000 ] - [ 0.0001233300000000, 0.0006699100000000, 0.0000000000000000 ] - [ 0.0003907700000000, -0.0003510600000000, 0.0000000000000000 ] - [ -0.0005702700000000, 0.0004393200000000, 0.0000502700000000 ] - [ -0.0005702700000000, 0.0004393200000000, -0.0000502700000000 ] - [ 0.0009822100000000, -0.0000797200000000, -0.0000364800000000 ] - [ -0.0000025100000000, -0.0001886600000000, 0.0000091700000000 ] - [ -0.0005168800000000, -0.0003730900000000, 0.0008424700000000 ] - [ -0.0000271100000000, 0.0001913300000000, -0.0000632900000000 ] - [ 0.0009822100000000, -0.0000797200000000, 0.0000364800000000 ] - [ -0.0000025100000000, -0.0001886600000000, -0.0000091700000000 ] - [ -0.0000271100000000, 0.0001913300000000, 0.0000632900000000 ] - [ -0.0005168800000000, -0.0003730900000000, -0.0008424700000000 ] - [ 0.0001910700000000, -0.0000891600000000, -0.0000264200000000 ] - [ 0.0001910700000000, -0.0000891600000000, 0.0000264200000000 ] - [ -0.0016344400000000, -0.0005568900000000, 0.0000000000000000 ] - [ -0.0000001100000000, 0.0002026700000000, 0.0000000000000000 ] - [ -0.0000706800000000, -0.0002708900000000, 0.0002589600000000 ] - [ -0.0000706800000000, -0.0002708900000000, -0.0002589600000000 ] - [ 0.0884767200000000, 0.0511612800000000, 0.0000000000000000 ] - [ 0.0000025800000000, 0.0002335700000000, 0.0000000000000000 ] - [ 0.0000205800000000, 0.0003495900000000, 0.0001677100000000 ] - [ 0.0018782700000000, 0.0021989500000000, 0.0008366500000000 ] - [ 0.0004796600000000, 0.0004438700000000, 0.0008769000000000 ] - [ 0.0000305000000000, -0.0003340400000000, 0.0000921300000000 ] - [ 0.0018782700000000, 0.0021989500000000, -0.0008366500000000 ] - [ 0.0000205800000000, 0.0003495900000000, -0.0001677100000000 ] - [ 0.0004796600000000, 0.0004438700000000, -0.0008769000000000 ] - [ 0.0000305000000000, -0.0003340400000000, -0.0000921300000000 ] - [ 0.0008589600000000, 0.0003518000000000, 0.0000000000000000 ] - [ 0.0000133900000000, 0.0007321500000000, 0.0000000000000000 ] - [ 0.0002717300000000, -0.0009613700000000, 0.0000742900000000 ] - [ 0.0002717300000000, -0.0009613700000000, -0.0000742900000000 ] - [ 0.0001920900000000, -0.0002970900000000, 0.0005876000000000 ] - [ 0.0003344400000000, -0.0006099600000000, -0.0003337700000000 ] - [ 0.0136362600000000, -0.0020783800000000, 0.0092664500000000 ] - [ -0.0000544600000000, 0.0002662000000000, 0.0002514400000000 ] - [ 0.0004762200000000, -0.0002558900000000, 0.0003047100000000 ] - [ -0.0000473600000000, -0.0002842800000000, -0.0001219200000000 ] - [ -0.0007160700000000, -0.0027209800000000, -0.0019314400000000 ] - [ 0.0000949200000000, 0.0002727500000000, -0.0002539600000000 ] - [ 0.0136362600000000, -0.0020783800000000, -0.0092664500000000 ] - [ -0.0000544600000000, 0.0002662000000000, -0.0002514400000000 ] - [ 0.0003344400000000, -0.0006099600000000, 0.0003337700000000 ] - [ 0.0001920900000000, -0.0002970900000000, -0.0005876000000000 ] - [ -0.0007160700000000, -0.0027209800000000, 0.0019314400000000 ] - [ 0.0000949200000000, 0.0002727500000000, 0.0002539600000000 ] - [ -0.0000473600000000, -0.0002842800000000, 0.0001219200000000 ] - [ 0.0004762200000000, -0.0002558900000000, -0.0003047100000000 ] - [ 0.0495643300000000, -0.0410678300000000, 0.0000000000000000 ] - [ 0.0000380000000000, 0.0005162300000000, 0.0000000000000000 ] - [ 0.0003335800000000, -0.0005601900000000, 0.0000030000000000 ] - [ 0.0003335800000000, -0.0005601900000000, -0.0000030000000000 ] - [ 0.0000279400000000, -0.0001073900000000, -0.0001354800000000 ] - [ 0.0000279400000000, -0.0001073900000000, 0.0001354800000000 ] - [ 0.0002950500000000, -0.0001160600000000, 0.0000000000000000 ] - [ 0.0000354300000000, 0.0002453000000000, 0.0000000000000000 ] - [ 0.0000852800000000, -0.0002605400000000, -0.0000312300000000 ] - [ 0.0000852800000000, -0.0002605400000000, 0.0000312300000000 ] - [ -0.0003238500000000, 0.0000430400000000, 0.0000000000000000 ] - [ -0.0000303800000000, 0.0002464700000000, 0.0000000000000000 ] - [ -0.0000082400000000, 0.0003680600000000, 0.0001352600000000 ] - [ -0.0006735100000000, 0.0000870200000000, 0.0005239300000000 ] - [ -0.0004890600000000, 0.0002381800000000, -0.0005121500000000 ] - [ -0.0000076500000000, -0.0003906900000000, 0.0002262000000000 ] - [ -0.0006735100000000, 0.0000870200000000, -0.0005239300000000 ] - [ -0.0000082400000000, 0.0003680600000000, -0.0001352600000000 ] - [ -0.0004890600000000, 0.0002381800000000, 0.0005121500000000 ] - [ -0.0000076500000000, -0.0003906900000000, -0.0002262000000000 ] - [ 0.0022965300000000, 0.0025693900000000, 0.0000000000000000 ] - [ 0.0000041900000000, 0.0007485600000000, 0.0000000000000000 ] - [ 0.0000248400000000, -0.0006986700000000, -0.0001369600000000 ] - [ 0.0000248400000000, -0.0006986700000000, 0.0001369600000000 ] - [ 0.0001057100000000, -0.0002819700000000, 0.0002368400000000 ] - [ 0.0001668900000000, -0.0002960100000000, 0.0000585700000000 ] - [ -0.0005072300000000, 0.0001664500000000, 0.0002001000000000 ] - [ -0.0000813500000000, 0.0002759100000000, 0.0002316500000000 ] - [ 0.0000206900000000, -0.0001188700000000, -0.0004407900000000 ] - [ -0.0000951000000000, -0.0002996500000000, -0.0001991500000000 ] - [ -0.0003979500000000, -0.0002579600000000, -0.0002640200000000 ] - [ 0.0000820700000000, 0.0002781700000000, -0.0002385400000000 ] - [ -0.0005072300000000, 0.0001664500000000, -0.0002001000000000 ] - [ -0.0000813500000000, 0.0002759100000000, -0.0002316500000000 ] - [ 0.0001668900000000, -0.0002960100000000, -0.0000585700000000 ] - [ 0.0001057100000000, -0.0002819700000000, -0.0002368400000000 ] - [ -0.0003979500000000, -0.0002579600000000, 0.0002640200000000 ] - [ 0.0000820700000000, 0.0002781700000000, 0.0002385400000000 ] - [ -0.0000951000000000, -0.0002996500000000, 0.0001991500000000 ] - [ 0.0000206900000000, -0.0001188700000000, 0.0004407900000000 ] - [ -0.0002622600000000, 0.0002507900000000, 0.0000000000000000 ] - [ 0.0000019500000000, 0.0005506000000000, 0.0000000000000000 ] - [ 0.0000554100000000, -0.0006973800000000, 0.0000869300000000 ] - [ 0.0000554100000000, -0.0006973800000000, -0.0000869300000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017932100000000, 0.0021600100000000, 0.0000000000000000 ] - [ -0.0001488000000000, 0.0001982100000000, 0.0000000000000000 ] - [ 0.0000019000000000, -0.0002595500000000, 0.0002555300000000 ] - [ 0.0000019000000000, -0.0002595500000000, -0.0002555300000000 ] - [ 0.0034872700000000, -0.0018276900000000, 0.0000000000000000 ] - [ 0.0001477500000000, 0.0001612500000000, 0.0000000000000000 ] - [ -0.0000336100000000, -0.0004042000000000, 0.0001753900000000 ] - [ -0.0000336100000000, -0.0004042000000000, -0.0001753900000000 ] - [ -0.0006928100000000, 0.0000482300000000, 0.0003324400000000 ] - [ -0.0001080500000000, -0.0000042700000000, -0.0000517700000000 ] - [ -0.0010457000000000, 0.0008278000000000, 0.0030081100000000 ] - [ 0.0000565600000000, -0.0000133900000000, 0.0000073900000000 ] - [ -0.0010457000000000, 0.0008278000000000, -0.0030081100000000 ] - [ 0.0000565600000000, -0.0000133900000000, -0.0000073900000000 ] - [ -0.0006928100000000, 0.0000482300000000, -0.0003324400000000 ] - [ -0.0001080500000000, -0.0000042700000000, 0.0000517700000000 ] - [ -0.0009754000000000, 0.0029997400000000, 0.0000000000000000 ] - [ -0.0000921600000000, 0.0001782700000000, 0.0000000000000000 ] - [ -0.0001545400000000, -0.0001051500000000, -0.0000532000000000 ] - [ -0.0001545400000000, -0.0001051500000000, 0.0000532000000000 ] - [ -0.0006475000000000, -0.0001730000000000, 0.0000000000000000 ] - [ 0.0000852600000000, 0.0001660100000000, 0.0000000000000000 ] - [ 0.0000153700000000, -0.0001814300000000, -0.0001502900000000 ] - [ 0.0000153700000000, -0.0001814300000000, 0.0001502900000000 ] - [ 0.0001440900000000, 0.0000385200000000, 0.0000187600000000 ] - [ -0.0000097500000000, 0.0000298800000000, 0.0000108400000000 ] - [ -0.0000170400000000, 0.0001487800000000, -0.0001882700000000 ] - [ 0.0000060500000000, 0.0000205000000000, -0.0000354200000000 ] - [ -0.0000170400000000, 0.0001487800000000, 0.0001882700000000 ] - [ 0.0000060500000000, 0.0000205000000000, 0.0000354200000000 ] - [ 0.0001440900000000, 0.0000385200000000, -0.0000187600000000 ] - [ -0.0000097500000000, 0.0000298800000000, -0.0000108400000000 ] - [ 0.1781194800000000, 0.0085514300000000, 0.0000000000000000 ] - [ -0.0003328400000000, -0.0003941500000000, 0.0000000000000000 ] - [ 0.0006770900000000, -0.0003628600000000, 0.0007074700000000 ] - [ 0.0006770900000000, -0.0003628600000000, -0.0007074700000000 ] - [ -0.0174624700000000, -0.0092960300000000, 0.0000000000000000 ] - [ 0.0004005600000000, -0.0003887100000000, 0.0000000000000000 ] - [ -0.0005126300000000, 0.0005591500000000, -0.0000381200000000 ] - [ -0.0005126300000000, 0.0005591500000000, 0.0000381200000000 ] - [ 0.0050684900000000, -0.0025943000000000, -0.0051429900000000 ] - [ 0.0000508800000000, -0.0003411600000000, -0.0000328700000000 ] - [ 0.0009607200000000, 0.0002400800000000, 0.0013363600000000 ] - [ 0.0002510800000000, 0.0002647200000000, -0.0000092000000000 ] - [ 0.0050684900000000, -0.0025943000000000, 0.0051429900000000 ] - [ 0.0000508800000000, -0.0003411600000000, 0.0000328700000000 ] - [ 0.0002510800000000, 0.0002647200000000, 0.0000092000000000 ] - [ 0.0009607200000000, 0.0002400800000000, -0.0013363600000000 ] - [ -0.0009061100000000, -0.0004738300000000, 0.0000000000000000 ] - [ -0.0004075100000000, -0.0003776400000000, 0.0000000000000000 ] - [ 0.0003474300000000, 0.0002665000000000, 0.0001397600000000 ] - [ 0.0003474300000000, 0.0002665000000000, -0.0001397600000000 ] - [ 0.0006819400000000, -0.0013947800000000, 0.0000000000000000 ] - [ 0.0004188700000000, -0.0003812300000000, 0.0000000000000000 ] - [ -0.0002399000000000, 0.0002923300000000, -0.0000486200000000 ] - [ -0.0002399000000000, 0.0002923300000000, 0.0000486200000000 ] - [ -0.0009771600000000, -0.0004518800000000, 0.0000259400000000 ] - [ 0.0000025700000000, -0.0003426400000000, -0.0000196900000000 ] - [ 0.0005116800000000, 0.0008989200000000, -0.0008456200000000 ] - [ 0.0000267400000000, 0.0003393200000000, 0.0000520100000000 ] - [ -0.0009771600000000, -0.0004518800000000, -0.0000259400000000 ] - [ 0.0000025700000000, -0.0003426400000000, 0.0000196900000000 ] - [ 0.0000267400000000, 0.0003393200000000, -0.0000520100000000 ] - [ 0.0005116800000000, 0.0008989200000000, 0.0008456200000000 ] - [ -0.0002172500000000, -0.0003922400000000, 0.0000261200000000 ] - [ -0.0002172500000000, -0.0003922400000000, -0.0000261200000000 ] - [ 0.0015990900000000, 0.0010217700000000, 0.0000000000000000 ] - [ 0.0000276700000000, 0.0002815900000000, 0.0000000000000000 ] - [ 0.0000980500000000, -0.0002128700000000, -0.0002589100000000 ] - [ 0.0000980500000000, -0.0002128700000000, 0.0002589100000000 ] - [ -0.0856279700000000, -0.0482535800000000, 0.0000000000000000 ] - [ -0.0000304300000000, 0.0002509900000000, 0.0000000000000000 ] - [ -0.0000207600000000, 0.0004214400000000, 0.0001775300000000 ] - [ -0.0018890900000000, -0.0014403200000000, -0.0005038700000000 ] - [ -0.0004755900000000, -0.0012182300000000, -0.0005339700000000 ] - [ -0.0000303800000000, -0.0004365000000000, 0.0002530000000000 ] - [ -0.0018890900000000, -0.0014403200000000, 0.0005038700000000 ] - [ -0.0000207600000000, 0.0004214400000000, -0.0001775300000000 ] - [ -0.0004755900000000, -0.0012182300000000, 0.0005339700000000 ] - [ -0.0000303800000000, -0.0004365000000000, -0.0002530000000000 ] - [ -0.0008692900000000, 0.0011958600000000, 0.0000000000000000 ] - [ -0.0000133900000000, 0.0008248300000000, 0.0000000000000000 ] - [ -0.0002706900000000, -0.0005949500000000, -0.0000753600000000 ] - [ -0.0002706900000000, -0.0005949500000000, 0.0000753600000000 ] - [ -0.0000379500000000, -0.0002759700000000, -0.0001124500000000 ] - [ -0.0001777400000000, 0.0000343700000000, 0.0008112200000000 ] - [ -0.0138228500000000, 0.0028706400000000, -0.0090263900000000 ] - [ -0.0000997900000000, 0.0003082700000000, 0.0002223300000000 ] - [ -0.0006258600000000, -0.0003171000000000, -0.0007858900000000 ] - [ -0.0001066100000000, -0.0002891900000000, -0.0003503500000000 ] - [ 0.0008725100000000, 0.0032990100000000, 0.0014531700000000 ] - [ 0.0000593500000000, 0.0003016400000000, -0.0002199000000000 ] - [ -0.0138228500000000, 0.0028706400000000, 0.0090263900000000 ] - [ -0.0000997900000000, 0.0003082700000000, -0.0002223300000000 ] - [ -0.0001777400000000, 0.0000343700000000, -0.0008112200000000 ] - [ -0.0000379500000000, -0.0002759700000000, 0.0001124500000000 ] - [ 0.0008725100000000, 0.0032990100000000, -0.0014531700000000 ] - [ 0.0000593500000000, 0.0003016400000000, 0.0002199000000000 ] - [ -0.0001066100000000, -0.0002891900000000, 0.0003503500000000 ] - [ -0.0006258600000000, -0.0003171000000000, 0.0007858900000000 ] - [ -0.0514876600000000, 0.0440606800000000, 0.0000000000000000 ] - [ -0.0000378400000000, 0.0005809200000000, 0.0000000000000000 ] - [ -0.0003341400000000, -0.0005342400000000, -0.0000042500000000 ] - [ -0.0003341400000000, -0.0005342400000000, 0.0000042500000000 ] - [ -0.0000572500000000, -0.0003765900000000, 0.0001350700000000 ] - [ -0.0000572500000000, -0.0003765900000000, -0.0001350700000000 ] - [ -0.0002656600000000, 0.0005958600000000, 0.0000000000000000 ] - [ -0.0000075600000000, 0.0002387300000000, 0.0000000000000000 ] - [ -0.0000564700000000, -0.0002240200000000, 0.0000311700000000 ] - [ -0.0000564700000000, -0.0002240200000000, -0.0000311700000000 ] - [ 0.0002957900000000, 0.0004404600000000, 0.0000000000000000 ] - [ 0.0000025300000000, 0.0002378100000000, 0.0000000000000000 ] - [ 0.0000082000000000, 0.0004020400000000, 0.0002089000000000 ] - [ 0.0006694200000000, 0.0006808700000000, -0.0001782000000000 ] - [ 0.0004843100000000, -0.0010014800000000, 0.0008498900000000 ] - [ 0.0000077300000000, -0.0003796600000000, 0.0001191200000000 ] - [ 0.0006694200000000, 0.0006808700000000, 0.0001782000000000 ] - [ 0.0000082000000000, 0.0004020400000000, -0.0002089000000000 ] - [ 0.0004843100000000, -0.0010014800000000, -0.0008498900000000 ] - [ 0.0000077300000000, -0.0003796600000000, -0.0001191200000000 ] - [ -0.0022718400000000, -0.0010105400000000, 0.0000000000000000 ] - [ -0.0000042300000000, 0.0008073100000000, 0.0000000000000000 ] - [ -0.0000247200000000, -0.0008563600000000, 0.0001359700000000 ] - [ -0.0000247200000000, -0.0008563600000000, -0.0001359700000000 ] - [ 0.0000490300000000, -0.0002919200000000, 0.0002372800000000 ] - [ -0.0000121600000000, -0.0002771700000000, 0.0004156200000000 ] - [ 0.0003504400000000, 0.0004073100000000, 0.0002743600000000 ] - [ -0.0000731200000000, 0.0002980700000000, 0.0002425200000000 ] - [ -0.0001741800000000, -0.0004530400000000, -0.0000361600000000 ] - [ -0.0000596000000000, -0.0002743000000000, -0.0002744300000000 ] - [ 0.0005488600000000, 0.0008276500000000, -0.0002098400000000 ] - [ 0.0000723600000000, 0.0002958300000000, -0.0002355900000000 ] - [ 0.0003504400000000, 0.0004073100000000, -0.0002743600000000 ] - [ -0.0000731200000000, 0.0002980700000000, -0.0002425200000000 ] - [ -0.0000121600000000, -0.0002771700000000, -0.0004156200000000 ] - [ 0.0000490300000000, -0.0002919200000000, -0.0002372800000000 ] - [ 0.0005488600000000, 0.0008276500000000, 0.0002098400000000 ] - [ 0.0000723600000000, 0.0002958300000000, 0.0002355900000000 ] - [ -0.0000596000000000, -0.0002743000000000, 0.0002744300000000 ] - [ -0.0001741800000000, -0.0004530400000000, 0.0000361600000000 ] - [ 0.0002606800000000, 0.0008432900000000, 0.0000000000000000 ] - [ -0.0000020800000000, 0.0005461100000000, 0.0000000000000000 ] - [ -0.0000550000000000, -0.0003998800000000, -0.0000867000000000 ] - [ -0.0000550000000000, -0.0003998800000000, 0.0000867000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003360500000000, 0.0011320100000000, 0.0000000000000000 ] - [ -0.0001285600000000, 0.0001710700000000, 0.0000000000000000 ] - [ -0.0001929700000000, 0.0003261500000000, -0.0012457600000000 ] - [ -0.0001929700000000, 0.0003261500000000, 0.0012457600000000 ] - [ 0.0003077300000000, 0.0030441900000000, 0.0000000000000000 ] - [ 0.0001301100000000, 0.0001742400000000, 0.0000000000000000 ] - [ 0.0001912600000000, -0.0002838000000000, -0.0000999900000000 ] - [ 0.0001912600000000, -0.0002838000000000, 0.0000999900000000 ] - [ 0.0000686300000000, -0.0002955600000000, 0.0005101000000000 ] - [ -0.0000305700000000, -0.0000095200000000, -0.0000259400000000 ] - [ -0.0002792900000000, -0.0012895100000000, -0.0021863200000000 ] - [ -0.0000255300000000, -0.0000199100000000, -0.0001090000000000 ] - [ -0.0002792900000000, -0.0012895100000000, 0.0021863200000000 ] - [ -0.0000255300000000, -0.0000199100000000, 0.0001090000000000 ] - [ 0.0000686300000000, -0.0002955600000000, -0.0005101000000000 ] - [ -0.0000305700000000, -0.0000095200000000, 0.0000259400000000 ] - [ -0.0038839100000000, 0.0010714700000000, 0.0000000000000000 ] - [ -0.0001451700000000, 0.0001783200000000, 0.0000000000000000 ] - [ 0.0001233200000000, -0.0000879700000000, 0.0002133900000000 ] - [ 0.0001233200000000, -0.0000879700000000, -0.0002133900000000 ] - [ 0.0003468200000000, 0.0000091000000000, 0.0000000000000000 ] - [ 0.0001379500000000, 0.0001831000000000, 0.0000000000000000 ] - [ -0.0001161200000000, -0.0001449100000000, 0.0002150100000000 ] - [ -0.0001161200000000, -0.0001449100000000, -0.0002150100000000 ] - [ -0.0002556500000000, 0.0006045100000000, -0.0001156200000000 ] - [ -0.0000529900000000, 0.0000633700000000, -0.0000076700000000 ] - [ 0.0003950700000000, 0.0004756800000000, 0.0000267900000000 ] - [ 0.0000650900000000, 0.0000635500000000, 0.0000232700000000 ] - [ 0.0003950700000000, 0.0004756800000000, -0.0000267900000000 ] - [ 0.0000650900000000, 0.0000635500000000, -0.0000232700000000 ] - [ -0.0002556500000000, 0.0006045100000000, 0.0001156200000000 ] - [ -0.0000529900000000, 0.0000633700000000, 0.0000076700000000 ] - [ -0.0117626900000000, -0.1574204600000000, 0.0000000000000000 ] - [ -0.0003773700000000, -0.0005174500000000, 0.0000000000000000 ] - [ 0.0011338000000000, -0.0006036700000000, 0.0007804100000000 ] - [ 0.0011338000000000, -0.0006036700000000, -0.0007804100000000 ] - [ -0.0085652400000000, -0.0168191400000000, 0.0000000000000000 ] - [ 0.0003827000000000, -0.0004677700000000, 0.0000000000000000 ] - [ -0.0002084500000000, -0.0013355900000000, 0.0004251300000000 ] - [ -0.0002084500000000, -0.0013355900000000, -0.0004251300000000 ] - [ 0.0114042800000000, 0.0066372800000000, 0.0024307900000000 ] - [ 0.0000359300000000, -0.0005023100000000, -0.0000983900000000 ] - [ -0.0000961300000000, 0.0009587600000000, 0.0001702600000000 ] - [ -0.0000121700000000, 0.0001205300000000, -0.0002296900000000 ] - [ 0.0114042800000000, 0.0066372800000000, -0.0024307900000000 ] - [ 0.0000359300000000, -0.0005023100000000, 0.0000983900000000 ] - [ -0.0000121700000000, 0.0001205300000000, 0.0002296900000000 ] - [ -0.0000961300000000, 0.0009587600000000, -0.0001702600000000 ] - [ -0.0002965600000000, 0.0005653600000000, 0.0000000000000000 ] - [ -0.0003935800000000, -0.0003399100000000, 0.0000000000000000 ] - [ 0.0005054100000000, 0.0006561300000000, -0.0002703800000000 ] - [ 0.0005054100000000, 0.0006561300000000, 0.0002703800000000 ] - [ -0.0006273500000000, 0.0008376500000000, 0.0000000000000000 ] - [ 0.0003898700000000, -0.0003247200000000, 0.0000000000000000 ] - [ -0.0004778700000000, 0.0003074000000000, 0.0001594800000000 ] - [ -0.0004778700000000, 0.0003074000000000, -0.0001594800000000 ] - [ 0.0000703300000000, 0.0004240500000000, -0.0011489600000000 ] - [ 0.0000251900000000, -0.0001747300000000, 0.0000153800000000 ] - [ -0.0005895300000000, -0.0003287300000000, 0.0007828200000000 ] - [ -0.0000891700000000, 0.0001733600000000, -0.0000411000000000 ] - [ 0.0000703300000000, 0.0004240500000000, 0.0011489600000000 ] - [ 0.0000251900000000, -0.0001747300000000, -0.0000153800000000 ] - [ -0.0000891700000000, 0.0001733600000000, 0.0000411000000000 ] - [ -0.0005895300000000, -0.0003287300000000, -0.0007828200000000 ] - [ 0.0002518200000000, 0.0006713600000000, 0.0005759800000000 ] - [ 0.0002518200000000, 0.0006713600000000, -0.0005759800000000 ] - [ 0.0040086300000000, 0.0027548800000000, 0.0000000000000000 ] - [ 0.0000004700000000, 0.0002970900000000, 0.0000000000000000 ] - [ -0.0001394600000000, -0.0000564000000000, -0.0001288900000000 ] - [ -0.0001394600000000, -0.0000564000000000, 0.0001288900000000 ] - [ 0.0503715500000000, 0.0483410800000000, 0.0000000000000000 ] - [ -0.0000120000000000, 0.0003121900000000, 0.0000000000000000 ] - [ -0.0000336400000000, 0.0004693200000000, 0.0003173700000000 ] - [ -0.0012374300000000, -0.0006935900000000, -0.0003258900000000 ] - [ 0.0001097400000000, -0.0009261300000000, -0.0000535900000000 ] - [ -0.0000186200000000, -0.0003806200000000, 0.0002228200000000 ] - [ -0.0012374300000000, -0.0006935900000000, 0.0003258900000000 ] - [ -0.0000336400000000, 0.0004693200000000, -0.0003173700000000 ] - [ 0.0001097400000000, -0.0009261300000000, 0.0000535900000000 ] - [ -0.0000186200000000, -0.0003806200000000, -0.0002228200000000 ] - [ -0.0026063800000000, -0.0014629100000000, 0.0000000000000000 ] - [ -0.0000167200000000, 0.0008814700000000, 0.0000000000000000 ] - [ 0.0000250900000000, -0.0009127700000000, -0.0002584800000000 ] - [ 0.0000250900000000, -0.0009127700000000, 0.0002584800000000 ] - [ -0.0001153400000000, -0.0000397900000000, 0.0000554300000000 ] - [ 0.0001307300000000, -0.0000046100000000, 0.0006699700000000 ] - [ -0.0050393800000000, 0.0258881300000000, -0.0320785300000000 ] - [ -0.0000793200000000, 0.0003464100000000, 0.0002139600000000 ] - [ -0.0000206500000000, 0.0003322300000000, -0.0005323900000000 ] - [ -0.0001240300000000, -0.0001046900000000, 0.0001920200000000 ] - [ -0.0015861800000000, 0.0033318200000000, 0.0011334500000000 ] - [ 0.0000486100000000, 0.0003386500000000, -0.0002051000000000 ] - [ -0.0050393800000000, 0.0258881300000000, 0.0320785300000000 ] - [ -0.0000793200000000, 0.0003464100000000, -0.0002139600000000 ] - [ 0.0001307300000000, -0.0000046100000000, -0.0006699700000000 ] - [ -0.0001153400000000, -0.0000397900000000, -0.0000554300000000 ] - [ -0.0015861800000000, 0.0033318200000000, -0.0011334500000000 ] - [ 0.0000486100000000, 0.0003386500000000, 0.0002051000000000 ] - [ -0.0001240300000000, -0.0001046900000000, -0.0001920200000000 ] - [ -0.0000206500000000, 0.0003322300000000, 0.0005323900000000 ] - [ -0.0374462900000000, 0.0531908400000000, 0.0000000000000000 ] - [ -0.0000098900000000, 0.0006170900000000, 0.0000000000000000 ] - [ -0.0004702400000000, 0.0001697700000000, -0.0001968400000000 ] - [ -0.0004702400000000, 0.0001697700000000, 0.0001968400000000 ] - [ -0.0001663900000000, -0.0002946900000000, -0.0000902000000000 ] - [ -0.0001663900000000, -0.0002946900000000, 0.0000902000000000 ] - [ 0.0004174600000000, -0.0007471800000000, 0.0000000000000000 ] - [ 0.0000198800000000, 0.0002085700000000, 0.0000000000000000 ] - [ 0.0001080100000000, -0.0003690600000000, -0.0000234000000000 ] - [ 0.0001080100000000, -0.0003690600000000, 0.0000234000000000 ] - [ 0.0000161000000000, -0.0000894900000000, 0.0000000000000000 ] - [ -0.0000196900000000, 0.0002282300000000, 0.0000000000000000 ] - [ 0.0000287100000000, 0.0003683400000000, 0.0001220600000000 ] - [ -0.0002295800000000, -0.0000078900000000, 0.0005525800000000 ] - [ 0.0003106500000000, 0.0003344500000000, -0.0004839900000000 ] - [ 0.0000349300000000, -0.0003952400000000, 0.0002175600000000 ] - [ -0.0002295800000000, -0.0000078900000000, -0.0005525800000000 ] - [ 0.0000287100000000, 0.0003683400000000, -0.0001220600000000 ] - [ 0.0003106500000000, 0.0003344500000000, 0.0004839900000000 ] - [ 0.0000349300000000, -0.0003952400000000, -0.0002175600000000 ] - [ 0.0023888000000000, 0.0000409300000000, 0.0000000000000000 ] - [ -0.0000015700000000, 0.0007407400000000, 0.0000000000000000 ] - [ 0.0000259000000000, -0.0006672300000000, -0.0000917400000000 ] - [ 0.0000259000000000, -0.0006672300000000, 0.0000917400000000 ] - [ 0.0001259200000000, -0.0002982500000000, 0.0002936700000000 ] - [ 0.0002324900000000, -0.0002290600000000, 0.0001429100000000 ] - [ -0.0004524000000000, -0.0003124400000000, 0.0000759300000000 ] - [ -0.0000867600000000, 0.0002792200000000, 0.0002293200000000 ] - [ 0.0000822900000000, -0.0001166300000000, -0.0005253100000000 ] - [ -0.0000577300000000, -0.0003010000000000, -0.0001907900000000 ] - [ 0.0004051300000000, -0.0003983600000000, -0.0001242500000000 ] - [ 0.0000860700000000, 0.0002696600000000, -0.0002481700000000 ] - [ -0.0004524000000000, -0.0003124400000000, -0.0000759300000000 ] - [ -0.0000867600000000, 0.0002792200000000, -0.0002293200000000 ] - [ 0.0002324900000000, -0.0002290600000000, -0.0001429100000000 ] - [ 0.0001259200000000, -0.0002982500000000, -0.0002936700000000 ] - [ 0.0004051300000000, -0.0003983600000000, 0.0001242500000000 ] - [ 0.0000860700000000, 0.0002696600000000, 0.0002481700000000 ] - [ -0.0000577300000000, -0.0003010000000000, 0.0001907900000000 ] - [ 0.0000822900000000, -0.0001166300000000, 0.0005253100000000 ] - [ -0.0000287100000000, -0.0000048800000000, 0.0000000000000000 ] - [ 0.0000030100000000, 0.0005329300000000, 0.0000000000000000 ] - [ 0.0001275300000000, -0.0006848200000000, 0.0000802300000000 ] - [ 0.0001275300000000, -0.0006848200000000, -0.0000802300000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001259100000000, -0.0007915400000000, 0.0000000000000000 ] - [ -0.0000906800000000, 0.0001789200000000, 0.0000000000000000 ] - [ 0.0004099300000000, -0.0006749000000000, 0.0012360800000000 ] - [ 0.0004099300000000, -0.0006749000000000, -0.0012360800000000 ] - [ -0.0000911800000000, -0.0026677700000000, 0.0000000000000000 ] - [ 0.0000892300000000, 0.0001758300000000, 0.0000000000000000 ] - [ -0.0004083900000000, -0.0000683600000000, 0.0000984500000000 ] - [ -0.0004083900000000, -0.0000683600000000, -0.0000984500000000 ] - [ -0.0001397700000000, 0.0002961300000000, -0.0005091200000000 ] - [ -0.0000405200000000, 0.0000094200000000, 0.0000256800000000 ] - [ 0.0003524300000000, 0.0012880500000000, 0.0021750400000000 ] - [ 0.0000966700000000, 0.0000198500000000, 0.0001095700000000 ] - [ 0.0003524300000000, 0.0012880500000000, -0.0021750400000000 ] - [ 0.0000966700000000, 0.0000198500000000, -0.0001095700000000 ] - [ -0.0001397700000000, 0.0002961300000000, 0.0005091200000000 ] - [ -0.0000405200000000, 0.0000094200000000, -0.0000256800000000 ] - [ 0.0036831200000000, -0.0007392200000000, 0.0000000000000000 ] - [ -0.0000743100000000, 0.0001717100000000, 0.0000000000000000 ] - [ 0.0000964500000000, -0.0002609600000000, -0.0002127900000000 ] - [ 0.0000964500000000, -0.0002609600000000, 0.0002127900000000 ] - [ -0.0001279300000000, 0.0003393700000000, 0.0000000000000000 ] - [ 0.0000817300000000, 0.0001669300000000, 0.0000000000000000 ] - [ -0.0001029000000000, -0.0002041800000000, -0.0002141500000000 ] - [ -0.0001029000000000, -0.0002041800000000, 0.0002141500000000 ] - [ 0.0001818400000000, -0.0006009900000000, 0.0001169700000000 ] - [ -0.0000187000000000, -0.0000630000000000, 0.0000078700000000 ] - [ -0.0003206800000000, -0.0004721600000000, -0.0000294100000000 ] - [ 0.0000066000000000, -0.0000632000000000, -0.0000236000000000 ] - [ -0.0003206800000000, -0.0004721600000000, 0.0000294100000000 ] - [ 0.0000066000000000, -0.0000632000000000, 0.0000236000000000 ] - [ 0.0001818400000000, -0.0006009900000000, -0.0001169700000000 ] - [ -0.0000187000000000, -0.0000630000000000, -0.0000078700000000 ] - [ 0.0107899200000000, 0.1564779100000000, 0.0000000000000000 ] - [ -0.0004327700000000, -0.0002159800000000, 0.0000000000000000 ] - [ -0.0003237600000000, 0.0013377500000000, -0.0007793500000000 ] - [ -0.0003237600000000, 0.0013377500000000, 0.0007793500000000 ] - [ 0.0093503500000000, 0.0160559000000000, 0.0000000000000000 ] - [ 0.0004272300000000, -0.0002656400000000, 0.0000000000000000 ] - [ -0.0006019400000000, 0.0020642700000000, -0.0004209300000000 ] - [ -0.0006019400000000, 0.0020642700000000, 0.0004209300000000 ] - [ -0.0113727000000000, -0.0071944800000000, -0.0025044700000000 ] - [ -0.0000359200000000, -0.0000318400000000, 0.0000867600000000 ] - [ 0.0000916300000000, -0.0004225500000000, -0.0001830300000000 ] - [ 0.0000108600000000, 0.0004114900000000, 0.0002192500000000 ] - [ -0.0113727000000000, -0.0071944800000000, 0.0025044700000000 ] - [ -0.0000359200000000, -0.0000318400000000, -0.0000867600000000 ] - [ 0.0000108600000000, 0.0004114900000000, -0.0002192500000000 ] - [ 0.0000916300000000, -0.0004225500000000, 0.0001830300000000 ] - [ -0.0005134100000000, -0.0012979800000000, 0.0000000000000000 ] - [ -0.0004166400000000, -0.0003929800000000, 0.0000000000000000 ] - [ 0.0003052500000000, 0.0000767800000000, 0.0002694400000000 ] - [ 0.0003052500000000, 0.0000767800000000, -0.0002694400000000 ] - [ 0.0014374400000000, -0.0015676500000000, 0.0000000000000000 ] - [ 0.0004202500000000, -0.0004078400000000, 0.0000000000000000 ] - [ -0.0003311400000000, 0.0004232600000000, -0.0001579900000000 ] - [ -0.0003311400000000, 0.0004232600000000, 0.0001579900000000 ] - [ -0.0000675200000000, -0.0009536100000000, 0.0011366000000000 ] - [ -0.0000250200000000, -0.0003564100000000, -0.0000256600000000 ] - [ 0.0005863400000000, 0.0008537000000000, -0.0007871900000000 ] - [ 0.0000890300000000, 0.0003566500000000, 0.0000298300000000 ] - [ -0.0000675200000000, -0.0009536100000000, -0.0011366000000000 ] - [ -0.0000250200000000, -0.0003564100000000, 0.0000256600000000 ] - [ 0.0000890300000000, 0.0003566500000000, -0.0000298300000000 ] - [ 0.0005863400000000, 0.0008537000000000, 0.0007871900000000 ] - [ -0.0002797300000000, -0.0011542800000000, -0.0005785900000000 ] - [ -0.0002797300000000, -0.0011542800000000, 0.0005785900000000 ] - [ -0.0039871900000000, -0.0022749200000000, 0.0000000000000000 ] - [ 0.0000270200000000, 0.0001873800000000, 0.0000000000000000 ] - [ 0.0001670900000000, -0.0004280700000000, 0.0001284200000000 ] - [ 0.0001670900000000, -0.0004280700000000, -0.0001284200000000 ] - [ -0.0490256900000000, -0.0474066800000000, 0.0000000000000000 ] - [ -0.0000156500000000, 0.0001726500000000, 0.0000000000000000 ] - [ 0.0000333800000000, 0.0003017300000000, 0.0000275800000000 ] - [ 0.0012037300000000, 0.0014324800000000, 0.0006553200000000 ] - [ -0.0001064400000000, 0.0001531100000000, 0.0003986000000000 ] - [ 0.0000187700000000, -0.0003902300000000, 0.0001220300000000 ] - [ 0.0012037300000000, 0.0014324800000000, -0.0006553200000000 ] - [ 0.0000333800000000, 0.0003017300000000, -0.0000275800000000 ] - [ -0.0001064400000000, 0.0001531100000000, -0.0003986000000000 ] - [ 0.0000187700000000, -0.0003902300000000, -0.0001220300000000 ] - [ 0.0026014900000000, 0.0030120100000000, 0.0000000000000000 ] - [ 0.0000167100000000, 0.0006751300000000, 0.0000000000000000 ] - [ -0.0000242600000000, -0.0006440400000000, 0.0002577400000000 ] - [ -0.0000242600000000, -0.0006440400000000, -0.0002577400000000 ] - [ 0.0002692200000000, -0.0005345000000000, 0.0004195000000000 ] - [ 0.0000247700000000, -0.0005711500000000, -0.0001938800000000 ] - [ 0.0049128800000000, -0.0257410900000000, 0.0335577800000000 ] - [ -0.0000743700000000, 0.0002281500000000, 0.0002601200000000 ] - [ -0.0001301400000000, -0.0009068400000000, 0.0000528700000000 ] - [ -0.0000291500000000, -0.0004698000000000, -0.0006644400000000 ] - [ 0.0017554500000000, -0.0027381300000000, -0.0016025000000000 ] - [ 0.0001052200000000, 0.0002358000000000, -0.0002690200000000 ] - [ 0.0049128800000000, -0.0257410900000000, -0.0335577800000000 ] - [ -0.0000743700000000, 0.0002281500000000, -0.0002601200000000 ] - [ 0.0000247700000000, -0.0005711500000000, 0.0001938800000000 ] - [ 0.0002692200000000, -0.0005345000000000, -0.0004195000000000 ] - [ 0.0017554500000000, -0.0027381300000000, 0.0016025000000000 ] - [ 0.0001052200000000, 0.0002358000000000, 0.0002690200000000 ] - [ -0.0000291500000000, -0.0004698000000000, 0.0006644400000000 ] - [ -0.0001301400000000, -0.0009068400000000, -0.0000528700000000 ] - [ 0.0361550300000000, -0.0513633900000000, 0.0000000000000000 ] - [ 0.0000100500000000, 0.0004806400000000, 0.0000000000000000 ] - [ 0.0004719400000000, -0.0012681300000000, 0.0001932600000000 ] - [ 0.0004719400000000, -0.0012681300000000, -0.0001932600000000 ] - [ 0.0001358300000000, -0.0001903000000000, 0.0000908800000000 ] - [ 0.0001358300000000, -0.0001903000000000, -0.0000908800000000 ] - [ -0.0003901500000000, 0.0012322800000000, 0.0000000000000000 ] - [ 0.0000079400000000, 0.0002756400000000, 0.0000000000000000 ] - [ -0.0000792200000000, -0.0001159100000000, 0.0000234400000000 ] - [ -0.0000792200000000, -0.0001159100000000, -0.0000234400000000 ] - [ -0.0000424200000000, 0.0005752200000000, 0.0000000000000000 ] - [ -0.0000078400000000, 0.0002562600000000, 0.0000000000000000 ] - [ -0.0000288100000000, 0.0004013600000000, 0.0002217700000000 ] - [ 0.0002282800000000, 0.0007765100000000, -0.0002077600000000 ] - [ -0.0003124700000000, -0.0010991300000000, 0.0008221300000000 ] - [ -0.0000348900000000, -0.0003748300000000, 0.0001273900000000 ] - [ 0.0002282800000000, 0.0007765100000000, 0.0002077600000000 ] - [ -0.0000288100000000, 0.0004013600000000, -0.0002217700000000 ] - [ -0.0003124700000000, -0.0010991300000000, -0.0008221300000000 ] - [ -0.0000348900000000, -0.0003748300000000, -0.0001273900000000 ] - [ -0.0023873600000000, 0.0015115700000000, 0.0000000000000000 ] - [ 0.0000015200000000, 0.0008143400000000, 0.0000000000000000 ] - [ -0.0000257900000000, -0.0008868600000000, 0.0000910300000000 ] - [ -0.0000257900000000, -0.0008868600000000, -0.0000910300000000 ] - [ 0.0000284000000000, -0.0002755600000000, 0.0001807900000000 ] - [ -0.0000777600000000, -0.0003434200000000, 0.0003315700000000 ] - [ 0.0002982400000000, 0.0008868200000000, 0.0003990800000000 ] - [ -0.0000673500000000, 0.0002947500000000, 0.0002453000000000 ] - [ -0.0002357900000000, -0.0004555700000000, 0.0000488400000000 ] - [ -0.0000966500000000, -0.0002727600000000, -0.0002832000000000 ] - [ -0.0002522900000000, 0.0009708000000000, -0.0003498100000000 ] - [ 0.0000679200000000, 0.0003043300000000, -0.0002263400000000 ] - [ 0.0002982400000000, 0.0008868200000000, -0.0003990800000000 ] - [ -0.0000673500000000, 0.0002947500000000, -0.0002453000000000 ] - [ -0.0000777600000000, -0.0003434200000000, -0.0003315700000000 ] - [ 0.0000284000000000, -0.0002755600000000, -0.0001807900000000 ] - [ -0.0002522900000000, 0.0009708000000000, 0.0003498100000000 ] - [ 0.0000679200000000, 0.0003043300000000, 0.0002263400000000 ] - [ -0.0000966500000000, -0.0002727600000000, 0.0002832000000000 ] - [ -0.0002357900000000, -0.0004555700000000, -0.0000488400000000 ] - [ 0.0000276300000000, 0.0011011000000000, 0.0000000000000000 ] - [ -0.0000031700000000, 0.0005642700000000, 0.0000000000000000 ] - [ -0.0001271500000000, -0.0004126700000000, -0.0000800100000000 ] - [ -0.0001271500000000, -0.0004126700000000, 0.0000800100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001071900000000, 0.0001704600000000, 0.0001106800000000 ] - [ -0.0001098200000000, 0.0001750800000000, 0.0002348100000000 ] - [ 0.0002854400000000, -0.0004440300000000, 0.0012962200000000 ] - [ -0.0000666400000000, 0.0000970200000000, 0.0013077400000000 ] - [ 0.0001100400000000, 0.0001709300000000, -0.0001796600000000 ] - [ 0.0001098500000000, 0.0001751500000000, 0.0002779500000000 ] - [ -0.0004251400000000, 0.0000085900000000, 0.0004677400000000 ] - [ 0.0002060500000000, -0.0003599600000000, 0.0004690000000000 ] - [ -0.0002019600000000, 0.0003800000000000, -0.0000246300000000 ] - [ -0.0000234900000000, -0.0000349000000000, 0.0001952300000000 ] - [ -0.0014712700000000, -0.0014136200000000, -0.0003097000000000 ] - [ 0.0001102800000000, 0.0000454100000000, 0.0002946800000000 ] - [ 0.0015544000000000, 0.0014136200000000, -0.0003070300000000 ] - [ -0.0000389800000000, -0.0000454800000000, 0.0002942000000000 ] - [ 0.0001305500000000, -0.0003795000000000, -0.0000221600000000 ] - [ -0.0000479800000000, 0.0000347700000000, 0.0001953400000000 ] - [ -0.0001080700000000, 0.0001820900000000, -0.0034650400000000 ] - [ -0.0001096700000000, 0.0001750900000000, 0.0002470300000000 ] - [ 0.0000087500000000, -0.0002565800000000, -0.0000303000000000 ] - [ 0.0002104600000000, -0.0000921600000000, -0.0000305200000000 ] - [ 0.0001086200000000, 0.0001757500000000, -0.0009542900000000 ] - [ 0.0001096500000000, 0.0001751100000000, 0.0002419000000000 ] - [ 0.0001210800000000, -0.0001443200000000, 0.0000131000000000 ] - [ -0.0003391300000000, -0.0002042800000000, 0.0000124000000000 ] - [ 0.0002077100000000, -0.0007446700000000, -0.0003406600000000 ] - [ -0.0000643800000000, -0.0000026000000000, 0.0002175800000000 ] - [ 0.0003356200000000, 0.0003922600000000, -0.0005907700000000 ] - [ -0.0000027900000000, 0.0000101600000000, 0.0002109200000000 ] - [ -0.0002646400000000, -0.0003910800000000, -0.0005869400000000 ] - [ 0.0000736600000000, -0.0000098900000000, 0.0002112100000000 ] - [ -0.0002783600000000, 0.0007459700000000, -0.0003431600000000 ] - [ -0.0000064600000000, 0.0000028700000000, 0.0002174100000000 ] - [ -0.0004806500000000, 0.0016846900000000, -0.1357257700000000 ] - [ -0.0004047000000000, -0.0003662800000000, 0.0005466400000000 ] - [ -0.0003032500000000, 0.0011468900000000, -0.0001991900000000 ] - [ 0.0011105400000000, -0.0004129200000000, -0.0001999500000000 ] - [ 0.0004188400000000, -0.0003383900000000, -0.0025932200000000 ] - [ 0.0004045700000000, -0.0003662800000000, 0.0004719400000000 ] - [ -0.0004432200000000, 0.0007870100000000, 0.0007707400000000 ] - [ -0.0003649000000000, -0.0000590100000000, 0.0007627800000000 ] - [ 0.0171674600000000, 0.0104758900000000, -0.0045305600000000 ] - [ -0.0000568100000000, -0.0001236500000000, 0.0006213000000000 ] - [ -0.0009456100000000, 0.0007737000000000, -0.0004980600000000 ] - [ 0.0001917600000000, 0.0000006600000000, 0.0003799800000000 ] - [ -0.0172108000000000, -0.0110351500000000, -0.0044607800000000 ] - [ 0.0000567900000000, -0.0004095800000000, 0.0006323900000000 ] - [ -0.0001932400000000, 0.0005315500000000, 0.0003914500000000 ] - [ 0.0009362400000000, -0.0002353800000000, -0.0004848500000000 ] - [ -0.0004049300000000, -0.0003687500000000, -0.0005103500000000 ] - [ -0.0004047900000000, -0.0003662400000000, 0.0003678000000000 ] - [ 0.0002651800000000, 0.0000964000000000, 0.0007309300000000 ] - [ 0.0005454200000000, 0.0006363600000000, 0.0007329400000000 ] - [ 0.0004071400000000, -0.0003695200000000, 0.0000924500000000 ] - [ 0.0004047300000000, -0.0003660800000000, 0.0003672500000000 ] - [ -0.0004538300000000, 0.0005244300000000, 0.0003040100000000 ] - [ -0.0003550000000000, 0.0002069200000000, 0.0003044300000000 ] - [ 0.0004679700000000, -0.0002888000000000, -0.0000688700000000 ] - [ -0.0000167000000000, -0.0003023300000000, 0.0003655700000000 ] - [ 0.0004091100000000, 0.0008435900000000, -0.0000119500000000 ] - [ -0.0000759400000000, 0.0001194500000000, 0.0003896400000000 ] - [ -0.0004693600000000, -0.0002445500000000, -0.0000623300000000 ] - [ 0.0000168300000000, -0.0002295800000000, 0.0003763500000000 ] - [ 0.0000759000000000, 0.0004120300000000, 0.0004002000000000 ] - [ -0.0004101400000000, -0.0003138400000000, 0.0000001600000000 ] - [ -0.0001323900000000, -0.0006821200000000, -0.0006274900000000 ] - [ 0.0001042900000000, 0.0002003900000000, -0.0006243400000000 ] - [ 0.0000005100000000, 0.0002359000000000, 0.0002591400000000 ] - [ 0.0000136100000000, 0.0002422000000000, -0.0002694400000000 ] - [ 0.0001653400000000, -0.0004335100000000, -0.0001073400000000 ] - [ -0.0001375500000000, -0.0000507400000000, -0.0001072200000000 ] - [ -0.0002370600000000, 0.0000804000000000, 0.0148058000000000 ] - [ -0.0000136500000000, 0.0002423600000000, -0.0003320400000000 ] - [ 0.0000379100000000, 0.0002067900000000, -0.0003424800000000 ] - [ -0.0032337400000000, -0.0026407700000000, -0.0007482400000000 ] - [ 0.0001656000000000, -0.0001577800000000, 0.0007148200000000 ] - [ -0.0000335700000000, -0.0002254700000000, -0.0001470000000000 ] - [ 0.0032061000000000, 0.0033873200000000, -0.0010893200000000 ] - [ -0.0000380900000000, 0.0005635000000000, -0.0006861400000000 ] - [ -0.0001640800000000, -0.0006126200000000, 0.0003686700000000 ] - [ 0.0000337100000000, -0.0005448700000000, -0.0004915700000000 ] - [ 0.0000214100000000, 0.0007979400000000, 0.0060683300000000 ] - [ 0.0000000200000000, 0.0007783000000000, -0.0004635400000000 ] - [ 0.0002203700000000, -0.0010239500000000, -0.0001671900000000 ] - [ -0.0002185200000000, -0.0005341000000000, -0.0001656700000000 ] - [ 0.0002783700000000, -0.0005312100000000, 0.0001672500000000 ] - [ -0.0000670700000000, -0.0000277300000000, 0.0005122600000000 ] - [ 0.0124046100000000, -0.0301869000000000, 0.0625541300000000 ] - [ -0.0001077100000000, 0.0003911400000000, -0.0000730400000000 ] - [ 0.0003886300000000, -0.0005557800000000, -0.0003209200000000 ] - [ -0.0001494300000000, -0.0000874500000000, -0.0005188100000000 ] - [ -0.0031010100000000, 0.0003493000000000, 0.0015003100000000 ] - [ 0.0000724900000000, 0.0002004400000000, -0.0005252100000000 ] - [ -0.0123965800000000, 0.0290400700000000, 0.0600762100000000 ] - [ -0.0000467900000000, 0.0001831600000000, -0.0005467300000000 ] - [ 0.0002241000000000, -0.0005476600000000, 0.0000370400000000 ] - [ -0.0001232300000000, -0.0000430500000000, -0.0003069300000000 ] - [ 0.0032679600000000, 0.0002208900000000, 0.0019762000000000 ] - [ 0.0000822000000000, 0.0003737700000000, -0.0000515100000000 ] - [ -0.0000048600000000, -0.0004867900000000, -0.0000473300000000 ] - [ -0.0005379300000000, -0.0000219900000000, 0.0001586500000000 ] - [ 0.0001581900000000, 0.0003876000000000, 0.0054974900000000 ] - [ 0.0000001000000000, 0.0005483500000000, -0.0001095000000000 ] - [ 0.0004160400000000, -0.0009632700000000, 0.0000129100000000 ] - [ -0.0004137700000000, -0.0001339900000000, 0.0000166400000000 ] - [ 0.0002254100000000, -0.0000927800000000, -0.0001908700000000 ] - [ -0.0002540200000000, -0.0003926200000000, -0.0001918100000000 ] - [ 0.0000135200000000, 0.0002453800000000, 0.0006640900000000 ] - [ 0.0000134900000000, 0.0002421300000000, -0.0002605700000000 ] - [ -0.0000758400000000, -0.0001131700000000, -0.0001682900000000 ] - [ 0.0001030200000000, -0.0003721100000000, -0.0001687600000000 ] - [ -0.0000135500000000, 0.0002437700000000, 0.0005801200000000 ] - [ -0.0000134200000000, 0.0002422500000000, -0.0002552800000000 ] - [ -0.0000244200000000, 0.0003026100000000, -0.0000938100000000 ] - [ -0.0001419800000000, 0.0004526300000000, 0.0004680200000000 ] - [ -0.0003875700000000, -0.0006084800000000, 0.0003591500000000 ] - [ 0.0000294100000000, -0.0002637600000000, -0.0001367000000000 ] - [ 0.0001418300000000, 0.0003182700000000, 0.0001246200000000 ] - [ 0.0000242500000000, 0.0004669600000000, -0.0004377300000000 ] - [ 0.0003862100000000, -0.0001624300000000, 0.0000141600000000 ] - [ -0.0000294500000000, -0.0005060800000000, -0.0004807700000000 ] - [ -0.0000047000000000, 0.0007778900000000, -0.0011503100000000 ] - [ -0.0000000200000000, 0.0007778700000000, -0.0002294700000000 ] - [ -0.0000339400000000, -0.0008507200000000, -0.0001644700000000 ] - [ 0.0000339300000000, -0.0007046600000000, -0.0001651600000000 ] - [ 0.0000472900000000, -0.0003385500000000, -0.0000061400000000 ] - [ 0.0001482900000000, -0.0002197600000000, -0.0002486600000000 ] - [ -0.0001208000000000, 0.0000794300000000, 0.0003275600000000 ] - [ -0.0000960700000000, 0.0003508600000000, 0.0000198900000000 ] - [ -0.0002368800000000, -0.0003755000000000, -0.0003616400000000 ] - [ -0.0000648800000000, -0.0002351300000000, -0.0003757400000000 ] - [ -0.0000285600000000, 0.0002989800000000, -0.0001344800000000 ] - [ 0.0000604100000000, 0.0002332800000000, -0.0004384100000000 ] - [ -0.0000318700000000, 0.0004973700000000, -0.0001468800000000 ] - [ -0.0000586700000000, 0.0002231300000000, -0.0004541500000000 ] - [ 0.0000063200000000, -0.0003531600000000, -0.0007214700000000 ] - [ 0.0001073400000000, -0.0002353600000000, -0.0004804400000000 ] - [ 0.0001821000000000, 0.0002783400000000, 0.0003401400000000 ] - [ 0.0000941800000000, 0.0003407300000000, 0.0000355300000000 ] - [ -0.0000899200000000, -0.0003387100000000, 0.0000982100000000 ] - [ 0.0000830300000000, -0.0001981400000000, 0.0001116800000000 ] - [ 0.0000007500000000, 0.0005497800000000, 0.0000126000000000 ] - [ -0.0000000800000000, 0.0005481600000000, -0.0000879700000000 ] - [ -0.0001227200000000, -0.0003316900000000, -0.0002276600000000 ] - [ 0.0001232500000000, -0.0007655800000000, -0.0002283500000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005510400000000, -0.0001837000000000, -0.0000310600000000 ] - [ -0.0001087300000000, 0.0001567600000000, -0.0000000600000000 ] - [ 0.0001362700000000, -0.0003088300000000, 0.0002649800000000 ] - [ -0.0002813200000000, -0.0011682700000000, -0.0007260000000000 ] - [ -0.0003280300000000, 0.0005336000000000, 0.0000311300000000 ] - [ 0.0001102800000000, 0.0001931300000000, 0.0000004800000000 ] - [ -0.0000813600000000, -0.0000417000000000, -0.0002645000000000 ] - [ -0.0004975900000000, 0.0008182800000000, 0.0007203700000000 ] - [ 0.0003756700000000, 0.0000951300000000, -0.0005526700000000 ] - [ 0.0000621500000000, -0.0000237500000000, 0.0001716200000000 ] - [ 0.0018119200000000, 0.0008217400000000, -0.0006574200000000 ] - [ 0.0000666900000000, 0.0000036200000000, 0.0000346200000000 ] - [ 0.0004445200000000, -0.0000935400000000, 0.0005518000000000 ] - [ 0.0001318100000000, 0.0000236400000000, -0.0001717400000000 ] - [ 0.0017545000000000, -0.0008316600000000, 0.0006624300000000 ] - [ -0.0000044900000000, -0.0000036200000000, -0.0000340200000000 ] - [ 0.0019972600000000, -0.0007051400000000, 0.0012085600000000 ] - [ -0.0000999700000000, 0.0001699700000000, -0.0000121800000000 ] - [ 0.0001378000000000, -0.0002020900000000, -0.0000109400000000 ] - [ 0.0001990200000000, -0.0003602400000000, 0.0000700600000000 ] - [ 0.0022054900000000, 0.0010561400000000, -0.0012044800000000 ] - [ 0.0001195400000000, 0.0001803400000000, 0.0000123800000000 ] - [ -0.0000809600000000, -0.0001477300000000, 0.0000111700000000 ] - [ -0.0000199800000000, 0.0000099400000000, -0.0000706400000000 ] - [ -0.0002610300000000, 0.0002018100000000, -0.0001616400000000 ] - [ -0.0000240000000000, -0.0000186000000000, 0.0000786200000000 ] - [ -0.0000404500000000, 0.0006111200000000, 0.0008463800000000 ] - [ 0.0000325200000000, 0.0000008800000000, -0.0000098700000000 ] - [ -0.0001859700000000, -0.0001990500000000, 0.0001608100000000 ] - [ 0.0000486100000000, 0.0000193500000000, -0.0000784800000000 ] - [ -0.0001170200000000, -0.0006170900000000, -0.0008479100000000 ] - [ -0.0000391700000000, -0.0000002700000000, 0.0000099800000000 ] - [ -0.0054192300000000, 0.0110418600000000, 0.0172198200000000 ] - [ -0.0004551700000000, -0.0003306500000000, -0.0000564300000000 ] - [ 0.0001528200000000, 0.0003547100000000, -0.0001916000000000 ] - [ -0.0005585500000000, 0.0002712600000000, 0.0009390600000000 ] - [ -0.0046710400000000, -0.0117355100000000, -0.0171583800000000 ] - [ 0.0003535700000000, -0.0004024100000000, 0.0000572700000000 ] - [ -0.0006563700000000, 0.0003776800000000, 0.0001932100000000 ] - [ -0.0013669100000000, 0.0004591300000000, -0.0009428000000000 ] - [ -0.1397582000000000, -0.0023102500000000, 0.0000320600000000 ] - [ -0.0000264700000000, -0.0002682900000000, -0.0000053600000000 ] - [ -0.0003732700000000, 0.0002664900000000, -0.0000041600000000 ] - [ -0.0003732700000000, 0.0002660000000000, -0.0000055100000000 ] - [ -0.0028897500000000, -0.0002980000000000, -0.0000083600000000 ] - [ -0.0004342600000000, -0.0002684400000000, 0.0000058000000000 ] - [ -0.0001184500000000, 0.0002664600000000, 0.0000057300000000 ] - [ -0.0017703100000000, 0.0002679200000000, 0.0000048900000000 ] - [ 0.0005721500000000, -0.0002992700000000, 0.0004684600000000 ] - [ -0.0004066900000000, -0.0003406700000000, -0.0000167900000000 ] - [ 0.0003773400000000, 0.0002766200000000, 0.0000765400000000 ] - [ -0.0001106200000000, -0.0002227700000000, -0.0004113100000000 ] - [ 0.0013874800000000, -0.0004372200000000, -0.0004686800000000 ] - [ 0.0004017500000000, -0.0003908500000000, 0.0000169500000000 ] - [ -0.0004310300000000, 0.0004547600000000, -0.0000754700000000 ] - [ -0.0009177200000000, 0.0009531300000000, 0.0004078400000000 ] - [ -0.0000566000000000, -0.0002669700000000, -0.0000059700000000 ] - [ -0.0000209800000000, -0.0002661500000000, -0.0000052200000000 ] - [ 0.0000428700000000, 0.0002662200000000, -0.0000056300000000 ] - [ 0.0000428800000000, 0.0002663800000000, -0.0000061000000000 ] - [ 0.0004175700000000, -0.0002668600000000, 0.0000061400000000 ] - [ -0.0000840200000000, -0.0002662000000000, 0.0000058100000000 ] - [ 0.0000411900000000, 0.0002660100000000, 0.0000059000000000 ] - [ 0.0004347700000000, 0.0002695800000000, 0.0000066300000000 ] - [ -0.0000018700000000, -0.0003992700000000, -0.0002665200000000 ] - [ 0.0000473200000000, -0.0006723600000000, 0.0009604300000000 ] - [ -0.0005574900000000, 0.0033755900000000, 0.0035800100000000 ] - [ 0.0000239300000000, 0.0002457400000000, -0.0000379900000000 ] - [ 0.0000256400000000, -0.0000863300000000, 0.0002652300000000 ] - [ 0.0000761000000000, 0.0001874400000000, -0.0009616400000000 ] - [ -0.0005822800000000, -0.0028638400000000, -0.0035519100000000 ] - [ -0.0000029400000000, 0.0002402000000000, 0.0000377300000000 ] - [ 0.0000334100000000, 0.0003860200000000, 0.0001720700000000 ] - [ 0.0133835800000000, 0.0005502200000000, 0.0003867500000000 ] - [ 0.0001124900000000, -0.0003870600000000, 0.0001710300000000 ] - [ 0.0000692000000000, -0.0003851900000000, 0.0001718400000000 ] - [ 0.0000188300000000, 0.0003892000000000, -0.0001578200000000 ] - [ 0.0000708700000000, 0.0003862400000000, -0.0001710300000000 ] - [ 0.0002411800000000, -0.0003871800000000, -0.0001707200000000 ] - [ 0.0000274700000000, -0.0003854600000000, -0.0001720600000000 ] - [ 0.0052764800000000, 0.0009328200000000, -0.0001508900000000 ] - [ 0.0000404200000000, 0.0007804100000000, -0.0000010700000000 ] - [ 0.0001175100000000, -0.0007789300000000, -0.0000000100000000 ] - [ 0.0005494600000000, -0.0007783800000000, 0.0000005300000000 ] - [ 0.0001682100000000, -0.0002897600000000, 0.0002682300000000 ] - [ 0.0008441600000000, 0.0000212600000000, 0.0001897500000000 ] - [ 0.0016944800000000, 0.0006548900000000, -0.0034440700000000 ] - [ -0.0000098700000000, 0.0002440000000000, 0.0002860500000000 ] - [ 0.0001553200000000, -0.0002816000000000, -0.0001564300000000 ] - [ 0.0002223000000000, -0.0002655300000000, -0.0001412900000000 ] - [ 0.0597235700000000, -0.0289696500000000, 0.0132755900000000 ] - [ 0.0001059900000000, 0.0002825300000000, -0.0002531000000000 ] - [ 0.0616485600000000, 0.0312545800000000, -0.0139020300000000 ] - [ -0.0000494000000000, 0.0002910200000000, -0.0002203400000000 ] - [ 0.0003118600000000, -0.0002913800000000, -0.0003176600000000 ] - [ 0.0003779900000000, -0.0003071800000000, -0.0003306300000000 ] - [ 0.0018473000000000, -0.0000775600000000, 0.0038977400000000 ] - [ 0.0001461100000000, 0.0003299500000000, 0.0001854200000000 ] - [ 0.0000126300000000, -0.0002833700000000, 0.0002045700000000 ] - [ 0.0006889300000000, -0.0005970400000000, 0.0002871300000000 ] - [ 0.0054958400000000, 0.0005266500000000, -0.0000214400000000 ] - [ 0.0000512600000000, 0.0005478900000000, 0.0000001600000000 ] - [ 0.0003152200000000, -0.0005481100000000, -0.0000005900000000 ] - [ 0.0009598300000000, -0.0005479000000000, 0.0000021700000000 ] - [ 0.0000026100000000, -0.0002406300000000, -0.0000045900000000 ] - [ 0.0005697400000000, -0.0000240000000000, 0.0001739700000000 ] - [ -0.0004055500000000, 0.0006370300000000, 0.0001703500000000 ] - [ 0.0000157100000000, 0.0002566900000000, -0.0000056900000000 ] - [ 0.0000306200000000, -0.0002449600000000, 0.0000040200000000 ] - [ 0.0005972300000000, -0.0004603700000000, -0.0001730400000000 ] - [ -0.0004245900000000, -0.0001430600000000, -0.0001729200000000 ] - [ -0.0000115800000000, 0.0002286500000000, 0.0000058500000000 ] - [ -0.0000199300000000, 0.0003849200000000, 0.0001712300000000 ] - [ -0.0002402100000000, 0.0003859000000000, 0.0001719300000000 ] - [ -0.0004068900000000, -0.0003851400000000, 0.0001714000000000 ] - [ -0.0000582900000000, -0.0003852700000000, 0.0001719500000000 ] - [ -0.0003387200000000, 0.0003858600000000, -0.0001718100000000 ] - [ -0.0000505300000000, 0.0003851800000000, -0.0001715700000000 ] - [ -0.0013068100000000, -0.0003863300000000, -0.0001711900000000 ] - [ -0.0000250900000000, -0.0003851500000000, -0.0001719400000000 ] - [ -0.0005495600000000, 0.0007774900000000, -0.0000004600000000 ] - [ 0.0000124000000000, 0.0007791700000000, -0.0000002100000000 ] - [ -0.0000051700000000, -0.0007790400000000, -0.0000001600000000 ] - [ 0.0000009700000000, -0.0007795500000000, 0.0000004700000000 ] - [ 0.0000589100000000, -0.0002837500000000, 0.0002152500000000 ] - [ -0.0000146900000000, -0.0002475400000000, 0.0004919600000000 ] - [ -0.0004695900000000, 0.0002148700000000, 0.0001353500000000 ] - [ -0.0000609800000000, 0.0002667600000000, 0.0002528200000000 ] - [ -0.0001455000000000, -0.0002815600000000, -0.0002157200000000 ] - [ -0.0000475200000000, -0.0003140800000000, -0.0003319400000000 ] - [ -0.0000673200000000, 0.0002960400000000, -0.0002954200000000 ] - [ 0.0000777800000000, 0.0002886100000000, -0.0002468300000000 ] - [ -0.0002221600000000, 0.0002780800000000, -0.0001779100000000 ] - [ -0.0000780000000000, 0.0002842200000000, -0.0002267300000000 ] - [ 0.0000107400000000, -0.0002908900000000, -0.0002571500000000 ] - [ 0.0001088800000000, -0.0002589600000000, -0.0001394000000000 ] - [ -0.0003144900000000, 0.0003597500000000, 0.0003369000000000 ] - [ 0.0000952500000000, 0.0003060800000000, 0.0002195500000000 ] - [ -0.0000970300000000, -0.0002890600000000, 0.0002576400000000 ] - [ -0.0001691000000000, -0.0003248000000000, -0.0000156500000000 ] - [ 0.0001272100000000, 0.0005483700000000, 0.0000001300000000 ] - [ 0.0000048800000000, 0.0005475700000000, 0.0000002000000000 ] - [ -0.0000507600000000, -0.0005474400000000, -0.0000003700000000 ] - [ -0.0000508600000000, -0.0005470800000000, 0.0000004200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001870800000000, 0.0010072900000000, -0.0000791800000000 ] - [ -0.0001293200000000, 0.0001579100000000, -0.0000255900000000 ] - [ -0.0003160100000000, -0.0004873200000000, 0.0000095800000000 ] - [ -0.0018612100000000, -0.0017430800000000, 0.0005051200000000 ] - [ 0.0001870800000000, 0.0010072900000000, -0.0000791800000000 ] - [ 0.0001293200000000, 0.0001579100000000, -0.0000255900000000 ] - [ 0.0003160100000000, -0.0004873200000000, 0.0000095800000000 ] - [ 0.0018612100000000, -0.0017430800000000, 0.0005051200000000 ] - [ -0.0000600800000000, -0.0000559800000000, 0.0004056000000000 ] - [ -0.0000459300000000, -0.0000074000000000, -0.0002342700000000 ] - [ 0.0010893800000000, 0.0012811400000000, -0.0007305700000000 ] - [ 0.0000108500000000, -0.0000078600000000, 0.0000743700000000 ] - [ 0.0000600800000000, -0.0000559800000000, 0.0004056000000000 ] - [ 0.0000459300000000, -0.0000074000000000, -0.0002342700000000 ] - [ -0.0010893800000000, 0.0012811400000000, -0.0007305700000000 ] - [ -0.0000108500000000, -0.0000078600000000, 0.0000743700000000 ] - [ 0.0010587500000000, -0.0013746500000000, 0.0016502800000000 ] - [ -0.0002186700000000, 0.0001761500000000, -0.0000045800000000 ] - [ 0.0000903800000000, -0.0001079100000000, 0.0000683400000000 ] - [ 0.0000790900000000, 0.0000568400000000, -0.0000878300000000 ] - [ -0.0010587500000000, -0.0013746500000000, 0.0016502800000000 ] - [ 0.0002186700000000, 0.0001761500000000, -0.0000045800000000 ] - [ -0.0000903800000000, -0.0001079100000000, 0.0000683400000000 ] - [ -0.0000790900000000, 0.0000568400000000, -0.0000878300000000 ] - [ -0.0003888700000000, 0.0006210500000000, -0.0002964900000000 ] - [ -0.0002285400000000, 0.0003003600000000, 0.0000978900000000 ] - [ 0.0016843100000000, 0.0022749900000000, 0.0001429300000000 ] - [ 0.0001154500000000, 0.0001238200000000, 0.0000155700000000 ] - [ 0.0003888700000000, 0.0006210500000000, -0.0002964900000000 ] - [ 0.0002285400000000, 0.0003003600000000, 0.0000978900000000 ] - [ -0.0016843100000000, 0.0022749900000000, 0.0001429300000000 ] - [ -0.0001154500000000, 0.0001238200000000, 0.0000155700000000 ] - [ 0.0019507400000000, 0.0065621500000000, 0.0107454900000000 ] - [ -0.0003306300000000, -0.0006014600000000, 0.0001427900000000 ] - [ 0.0004059300000000, 0.0002220200000000, 0.0002649300000000 ] - [ 0.0004278000000000, 0.0010590200000000, -0.0005039100000000 ] - [ -0.0019507400000000, 0.0065621500000000, 0.0107454900000000 ] - [ 0.0003306300000000, -0.0006014600000000, 0.0001427900000000 ] - [ -0.0004059300000000, 0.0002220200000000, 0.0002649300000000 ] - [ -0.0004278000000000, 0.0010590200000000, -0.0005039100000000 ] - [ 0.0000000000000000, -0.1549208500000000, -0.0172635700000000 ] - [ 0.0000000000000000, -0.0012635400000000, 0.0000400800000000 ] - [ 0.0000000000000000, 0.0006020400000000, 0.0001124500000000 ] - [ 0.0000000000000000, 0.0006031600000000, -0.0000717900000000 ] - [ 0.0000000000000000, -0.0161089700000000, -0.0080284100000000 ] - [ 0.0000000000000000, -0.0023178300000000, 0.0008770700000000 ] - [ 0.0000000000000000, 0.0003203700000000, 0.0001237400000000 ] - [ 0.0000000000000000, 0.0013083900000000, 0.0005616700000000 ] - [ -0.0002215900000000, 0.0003202400000000, -0.0000218100000000 ] - [ -0.0003279800000000, -0.0002753900000000, -0.0000366100000000 ] - [ 0.0003308900000000, 0.0002744300000000, 0.0001462400000000 ] - [ -0.0002308100000000, -0.0002249900000000, -0.0005792700000000 ] - [ 0.0002215900000000, 0.0003202400000000, -0.0000218100000000 ] - [ 0.0003279800000000, -0.0002753900000000, -0.0000366100000000 ] - [ -0.0003308900000000, 0.0002744300000000, 0.0001462400000000 ] - [ 0.0002308100000000, -0.0002249900000000, -0.0005792700000000 ] - [ 0.0000000000000000, 0.0004215500000000, -0.0004967800000000 ] - [ 0.0000000000000000, -0.0001889400000000, 0.0000619800000000 ] - [ 0.0000000000000000, -0.0002867400000000, 0.0005566200000000 ] - [ 0.0000000000000000, -0.0002867700000000, -0.0004226300000000 ] - [ 0.0000000000000000, 0.0002511300000000, 0.0006883100000000 ] - [ 0.0000000000000000, -0.0001233500000000, -0.0002365500000000 ] - [ 0.0000000000000000, 0.0000685700000000, 0.0001321800000000 ] - [ 0.0000000000000000, -0.0013210000000000, -0.0014105200000000 ] - [ -0.0000108800000000, -0.0002055100000000, -0.0001411700000000 ] - [ 0.0000174400000000, -0.0004771400000000, 0.0007634600000000 ] - [ 0.0000926500000000, -0.0009879500000000, -0.0011944100000000 ] - [ -0.0000761100000000, 0.0004187700000000, -0.0000266700000000 ] - [ 0.0000108800000000, -0.0002055100000000, -0.0001411700000000 ] - [ -0.0000174400000000, -0.0004771400000000, 0.0007634600000000 ] - [ -0.0000926500000000, -0.0009879500000000, -0.0011944100000000 ] - [ 0.0000761100000000, 0.0004187700000000, -0.0000266700000000 ] - [ 0.0000000000000000, 0.0007449500000000, 0.0003275100000000 ] - [ 0.0000000000000000, 0.0479332600000000, 0.0506074500000000 ] - [ 0.0000000000000000, -0.0009474100000000, 0.0000046300000000 ] - [ 0.0000000000000000, -0.0007205500000000, 0.0003344500000000 ] - [ 0.0000000000000000, 0.0018946200000000, 0.0041207500000000 ] - [ 0.0000000000000000, 0.0014001600000000, -0.0016707200000000 ] - [ 0.0000000000000000, -0.0016788900000000, -0.0003500500000000 ] - [ 0.0000000000000000, -0.0004771800000000, -0.0002637600000000 ] - [ 0.0000000000000000, 0.0501619500000000, -0.0336899300000000 ] - [ 0.0000000000000000, 0.0015308900000000, -0.0004960800000000 ] - [ 0.0000000000000000, -0.0008502100000000, -0.0001203800000000 ] - [ 0.0000000000000000, -0.0010374400000000, 0.0001861400000000 ] - [ 0.0000608300000000, -0.0003212600000000, 0.0000850800000000 ] - [ -0.0001436800000000, -0.0005373200000000, 0.0002921800000000 ] - [ 0.0016463300000000, 0.0034737400000000, -0.0019470900000000 ] - [ 0.0000070200000000, 0.0005486400000000, -0.0000009500000000 ] - [ -0.0000524500000000, -0.0001880600000000, -0.0003707400000000 ] - [ 0.0000298500000000, -0.0005471900000000, -0.0000780600000000 ] - [ -0.0316614000000000, 0.0276983900000000, -0.0058585000000000 ] - [ -0.0000007500000000, 0.0004491200000000, -0.0002295500000000 ] - [ 0.0316614000000000, 0.0276983900000000, -0.0058585000000000 ] - [ 0.0000007500000000, 0.0004491200000000, -0.0002295500000000 ] - [ 0.0000524500000000, -0.0001880600000000, -0.0003707400000000 ] - [ -0.0000298500000000, -0.0005471900000000, -0.0000780600000000 ] - [ -0.0016463300000000, 0.0034737400000000, -0.0019470900000000 ] - [ -0.0000070200000000, 0.0005486400000000, -0.0000009500000000 ] - [ -0.0000608300000000, -0.0003212600000000, 0.0000850800000000 ] - [ 0.0001436800000000, -0.0005373200000000, 0.0002921800000000 ] - [ 0.0000000000000000, -0.0016839200000000, -0.0024413700000000 ] - [ 0.0000000000000000, 0.0006871000000000, -0.0000320500000000 ] - [ 0.0000000000000000, -0.0005459900000000, -0.0001491600000000 ] - [ 0.0000000000000000, -0.0010772200000000, 0.0002829600000000 ] - [ -0.0001659400000000, -0.0002887400000000, -0.0000309200000000 ] - [ -0.0006628100000000, -0.0004699000000000, -0.0001058400000000 ] - [ -0.0004939800000000, 0.0007268100000000, 0.0001613200000000 ] - [ 0.0000570300000000, 0.0001759400000000, -0.0000081100000000 ] - [ 0.0001659400000000, -0.0002887400000000, -0.0000309200000000 ] - [ 0.0006628100000000, -0.0004699000000000, -0.0001058400000000 ] - [ 0.0004939800000000, 0.0007268100000000, 0.0001613200000000 ] - [ -0.0000570300000000, 0.0001759400000000, -0.0000081100000000 ] - [ 0.0000000000000000, 0.0003288700000000, 0.0001002300000000 ] - [ 0.0000000000000000, -0.0001245600000000, 0.0001052400000000 ] - [ 0.0000000000000000, -0.0000783300000000, -0.0003152500000000 ] - [ 0.0000000000000000, -0.0002811000000000, 0.0003506400000000 ] - [ 0.0000000000000000, 0.0000926300000000, -0.0002300900000000 ] - [ 0.0000000000000000, 0.0002500000000000, 0.0000114200000000 ] - [ 0.0000000000000000, 0.0002579300000000, 0.0007463400000000 ] - [ 0.0000000000000000, -0.0003611600000000, -0.0002424500000000 ] - [ 0.0000000000000000, 0.0001755200000000, 0.0000190100000000 ] - [ 0.0000000000000000, 0.0007524500000000, 0.0000277700000000 ] - [ 0.0000000000000000, -0.0006087600000000, -0.0001354000000000 ] - [ 0.0000000000000000, -0.0003963000000000, 0.0003291900000000 ] - [ 0.0001146800000000, -0.0002456400000000, 0.0001943200000000 ] - [ 0.0004447900000000, 0.0002840100000000, 0.0008566100000000 ] - [ -0.0003792900000000, -0.0001516800000000, 0.0002018400000000 ] - [ -0.0001148300000000, 0.0002522900000000, 0.0003017400000000 ] - [ -0.0001344400000000, -0.0001553400000000, -0.0004143800000000 ] - [ -0.0002489000000000, -0.0001097900000000, -0.0000678500000000 ] - [ 0.0004189100000000, -0.0001948300000000, -0.0002376200000000 ] - [ 0.0001094700000000, 0.0002595800000000, -0.0002534000000000 ] - [ -0.0004189100000000, -0.0001948300000000, -0.0002376200000000 ] - [ -0.0001094700000000, 0.0002595800000000, -0.0002534000000000 ] - [ 0.0001344400000000, -0.0001553400000000, -0.0004143800000000 ] - [ 0.0002489000000000, -0.0001097900000000, -0.0000678500000000 ] - [ 0.0003792900000000, -0.0001516800000000, 0.0002018400000000 ] - [ 0.0001148300000000, 0.0002522900000000, 0.0003017400000000 ] - [ -0.0001146800000000, -0.0002456400000000, 0.0001943200000000 ] - [ -0.0004447900000000, 0.0002840100000000, 0.0008566100000000 ] - [ 0.0000000000000000, 0.0001121400000000, 0.0000403100000000 ] - [ 0.0000000000000000, 0.0005006600000000, 0.0000055700000000 ] - [ 0.0000000000000000, -0.0004978300000000, -0.0000410000000000 ] - [ 0.0000000000000000, -0.0001301600000000, 0.0002335400000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000347800000000, -0.0006612600000000, 0.0000812800000000 ] - [ -0.0000903200000000, 0.0001914400000000, 0.0000252800000000 ] - [ 0.0005358000000000, 0.0001376100000000, -0.0000092300000000 ] - [ 0.0020899100000000, 0.0013949500000000, -0.0005122200000000 ] - [ 0.0000347800000000, -0.0006612600000000, 0.0000812800000000 ] - [ 0.0000903200000000, 0.0001914400000000, 0.0000252800000000 ] - [ -0.0005358000000000, 0.0001376100000000, -0.0000092300000000 ] - [ -0.0020899100000000, 0.0013949500000000, -0.0005122200000000 ] - [ -0.0000110600000000, 0.0000588700000000, -0.0004085000000000 ] - [ -0.0000248300000000, 0.0000073400000000, 0.0002339100000000 ] - [ -0.0010284600000000, -0.0012876800000000, 0.0007373100000000 ] - [ 0.0000599900000000, 0.0000078800000000, -0.0000743900000000 ] - [ 0.0000110600000000, 0.0000588700000000, -0.0004085000000000 ] - [ 0.0000248300000000, 0.0000073400000000, 0.0002339100000000 ] - [ 0.0010284600000000, -0.0012876800000000, 0.0007373100000000 ] - [ -0.0000599900000000, 0.0000078800000000, -0.0000743900000000 ] - [ -0.0012730000000000, 0.0017262200000000, -0.0016484600000000 ] - [ -0.0000009300000000, 0.0001732400000000, 0.0000044700000000 ] - [ 0.0001291200000000, -0.0002415100000000, -0.0000690300000000 ] - [ 0.0001398600000000, -0.0004063800000000, 0.0000882200000000 ] - [ 0.0012730000000000, 0.0017262200000000, -0.0016484600000000 ] - [ 0.0000009300000000, 0.0001732400000000, 0.0000044700000000 ] - [ -0.0001291200000000, -0.0002415100000000, -0.0000690300000000 ] - [ -0.0001398600000000, -0.0004063800000000, 0.0000882200000000 ] - [ 0.0003145000000000, -0.0006199300000000, 0.0002932100000000 ] - [ 0.0001582200000000, -0.0003005200000000, -0.0000978500000000 ] - [ -0.0016268700000000, -0.0022904600000000, -0.0001459800000000 ] - [ -0.0000446200000000, -0.0001238500000000, -0.0000158200000000 ] - [ -0.0003145000000000, -0.0006199300000000, 0.0002932100000000 ] - [ -0.0001582200000000, -0.0003005200000000, -0.0000978500000000 ] - [ 0.0016268700000000, -0.0022904600000000, -0.0001459800000000 ] - [ 0.0000446200000000, -0.0001238500000000, -0.0000158200000000 ] - [ -0.0026988900000000, -0.0072697400000000, -0.0107653000000000 ] - [ -0.0004792100000000, -0.0001311400000000, -0.0001430800000000 ] - [ 0.0004043100000000, 0.0005129300000000, -0.0002659000000000 ] - [ 0.0003744100000000, -0.0003223800000000, 0.0005050200000000 ] - [ 0.0026988900000000, -0.0072697400000000, -0.0107653000000000 ] - [ 0.0004792100000000, -0.0001311400000000, -0.0001430800000000 ] - [ -0.0004043100000000, 0.0005129300000000, -0.0002659000000000 ] - [ -0.0003744100000000, -0.0003223800000000, 0.0005050200000000 ] - [ 0.0000000000000000, 0.1547351200000000, 0.0175353100000000 ] - [ 0.0000000000000000, 0.0007316900000000, -0.0000508200000000 ] - [ 0.0000000000000000, -0.0000712000000000, -0.0001259400000000 ] - [ 0.0000000000000000, -0.0000701700000000, 0.0000614400000000 ] - [ 0.0000000000000000, 0.0155965100000000, 0.0080676500000000 ] - [ 0.0000000000000000, 0.0017892900000000, -0.0008723500000000 ] - [ 0.0000000000000000, 0.0002114700000000, -0.0001143600000000 ] - [ 0.0000000000000000, -0.0007779100000000, -0.0005561900000000 ] - [ -0.0005937500000000, -0.0010575200000000, 0.0000225100000000 ] - [ -0.0004818700000000, -0.0004571100000000, 0.0000361800000000 ] - [ 0.0004787400000000, 0.0004576700000000, -0.0001462800000000 ] - [ 0.0010410200000000, 0.0009573100000000, 0.0005781000000000 ] - [ 0.0005937500000000, -0.0010575200000000, 0.0000225100000000 ] - [ 0.0004818700000000, -0.0004571100000000, 0.0000361800000000 ] - [ -0.0004787400000000, 0.0004576700000000, -0.0001462800000000 ] - [ -0.0010410200000000, 0.0009573100000000, 0.0005781000000000 ] - [ 0.0000000000000000, -0.0009563300000000, 0.0004896100000000 ] - [ 0.0000000000000000, -0.0003429900000000, -0.0000729600000000 ] - [ 0.0000000000000000, 0.0008194800000000, -0.0005695400000000 ] - [ 0.0000000000000000, 0.0008194500000000, 0.0004114200000000 ] - [ 0.0000000000000000, -0.0007845700000000, -0.0006793900000000 ] - [ 0.0000000000000000, -0.0004088100000000, 0.0002475800000000 ] - [ 0.0000000000000000, 0.0004630300000000, -0.0001220100000000 ] - [ 0.0000000000000000, 0.0018594400000000, 0.0014259400000000 ] - [ -0.0000172700000000, -0.0002801500000000, 0.0001403400000000 ] - [ -0.0000478200000000, -0.0000082800000000, -0.0007645000000000 ] - [ -0.0000771000000000, 0.0015032700000000, 0.0012275600000000 ] - [ 0.0001038800000000, 0.0000656400000000, 0.0000270400000000 ] - [ 0.0000172700000000, -0.0002801500000000, 0.0001403400000000 ] - [ 0.0000478200000000, -0.0000082800000000, -0.0007645000000000 ] - [ 0.0000771000000000, 0.0015032700000000, 0.0012275600000000 ] - [ -0.0001038800000000, 0.0000656400000000, 0.0000270400000000 ] - [ 0.0000000000000000, 0.0000250400000000, 0.0000144300000000 ] - [ 0.0000000000000000, -0.0477216100000000, -0.0517249200000000 ] - [ 0.0000000000000000, 0.0001769500000000, 0.0003425900000000 ] - [ 0.0000000000000000, -0.0000498600000000, 0.0000103800000000 ] - [ 0.0000000000000000, -0.0011177700000000, -0.0044560600000000 ] - [ 0.0000000000000000, -0.0006282600000000, 0.0013440100000000 ] - [ 0.0000000000000000, 0.0009141000000000, 0.0000066900000000 ] - [ 0.0000000000000000, -0.0002930400000000, -0.0000799600000000 ] - [ 0.0000000000000000, -0.0492415300000000, 0.0348742100000000 ] - [ 0.0000000000000000, 0.0000246900000000, 0.0004948800000000 ] - [ 0.0000000000000000, -0.0007047700000000, 0.0001215900000000 ] - [ 0.0000000000000000, -0.0005160800000000, -0.0001861600000000 ] - [ 0.0000928000000000, -0.0002530600000000, 0.0003906800000000 ] - [ 0.0002992500000000, -0.0000386400000000, 0.0001836700000000 ] - [ -0.0018104200000000, -0.0029212300000000, 0.0024057800000000 ] - [ -0.0001612000000000, 0.0000258200000000, 0.0004750600000000 ] - [ -0.0001016500000000, -0.0003872800000000, -0.0001029000000000 ] - [ -0.0001852300000000, -0.0000287500000000, -0.0003955400000000 ] - [ 0.0308368500000000, -0.0267414300000000, 0.0053638000000000 ] - [ 0.0001544100000000, 0.0001253200000000, -0.0002449300000000 ] - [ -0.0308368500000000, -0.0267414300000000, 0.0053638000000000 ] - [ -0.0001544100000000, 0.0001253200000000, -0.0002449300000000 ] - [ 0.0001016500000000, -0.0003872800000000, -0.0001029000000000 ] - [ 0.0001852300000000, -0.0000287500000000, -0.0003955400000000 ] - [ 0.0018104200000000, -0.0029212300000000, 0.0024057800000000 ] - [ 0.0001612000000000, 0.0000258200000000, 0.0004750600000000 ] - [ -0.0000928000000000, -0.0002530600000000, 0.0003906800000000 ] - [ -0.0002992500000000, -0.0000386400000000, 0.0001836700000000 ] - [ 0.0000000000000000, 0.0027889200000000, 0.0024464000000000 ] - [ 0.0000000000000000, 0.0004103400000000, 0.0000326300000000 ] - [ 0.0000000000000000, -0.0005526800000000, 0.0001487900000000 ] - [ 0.0000000000000000, -0.0000294200000000, -0.0002812500000000 ] - [ 0.0001380500000000, -0.0001954300000000, 0.0000311100000000 ] - [ 0.0006360400000000, -0.0000135900000000, 0.0001066200000000 ] - [ 0.0005112900000000, -0.0002350500000000, -0.0001641200000000 ] - [ -0.0000295000000000, 0.0003086200000000, 0.0000085900000000 ] - [ -0.0001380500000000, -0.0001954300000000, 0.0000311100000000 ] - [ -0.0006360400000000, -0.0000135900000000, 0.0001066200000000 ] - [ -0.0005112900000000, -0.0002350500000000, -0.0001641200000000 ] - [ 0.0000295000000000, 0.0003086200000000, 0.0000085900000000 ] - [ 0.0000000000000000, 0.0004413700000000, 0.0002438800000000 ] - [ 0.0000000000000000, 0.0008960200000000, 0.0002373600000000 ] - [ 0.0000000000000000, -0.0006931300000000, 0.0006606800000000 ] - [ 0.0000000000000000, -0.0004895500000000, -0.0000060400000000 ] - [ 0.0000000000000000, 0.0006787700000000, -0.0001130900000000 ] - [ 0.0000000000000000, 0.0005200900000000, -0.0003555800000000 ] - [ 0.0000000000000000, -0.0010318400000000, -0.0010929300000000 ] - [ 0.0000000000000000, -0.0004090400000000, -0.0001014300000000 ] - [ 0.0000000000000000, 0.0013800100000000, -0.0000217000000000 ] - [ 0.0000000000000000, 0.0008029700000000, -0.0000278300000000 ] - [ 0.0000000000000000, -0.0009467000000000, 0.0001361700000000 ] - [ 0.0000000000000000, -0.0011595500000000, -0.0003292800000000 ] - [ 0.0000391800000000, -0.0003283300000000, 0.0002806600000000 ] - [ -0.0002939600000000, -0.0008579500000000, -0.0003799700000000 ] - [ 0.0002259700000000, 0.0007279800000000, 0.0002718600000000 ] - [ -0.0000394000000000, 0.0003218300000000, 0.0001724400000000 ] - [ -0.0000197900000000, -0.0004188100000000, -0.0000592000000000 ] - [ 0.0000949600000000, -0.0004646100000000, -0.0004058100000000 ] - [ -0.0002661500000000, 0.0007706800000000, -0.0002381700000000 ] - [ 0.0000443000000000, 0.0003146800000000, -0.0002213300000000 ] - [ 0.0002661500000000, 0.0007706800000000, -0.0002381700000000 ] - [ -0.0000443000000000, 0.0003146800000000, -0.0002213300000000 ] - [ 0.0000197900000000, -0.0004188100000000, -0.0000592000000000 ] - [ -0.0000949600000000, -0.0004646100000000, -0.0004058100000000 ] - [ -0.0002259700000000, 0.0007279800000000, 0.0002718600000000 ] - [ 0.0000394000000000, 0.0003218300000000, 0.0001724400000000 ] - [ -0.0000391800000000, -0.0003283300000000, 0.0002806600000000 ] - [ 0.0002939600000000, -0.0008579500000000, -0.0003799700000000 ] - [ 0.0000000000000000, 0.0009870000000000, -0.0000403100000000 ] - [ 0.0000000000000000, 0.0005966800000000, -0.0000049900000000 ] - [ 0.0000000000000000, -0.0005992000000000, 0.0000404800000000 ] - [ 0.0000000000000000, -0.0009667800000000, -0.0002334200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000487500000000, -0.0001221000000000, -0.0003357700000000 ] - [ -0.0001095500000000, 0.0001645600000000, 0.0002593700000000 ] - [ 0.0003426000000000, -0.0000972100000000, 0.0005157800000000 ] - [ -0.0019939200000000, -0.0012982500000000, 0.0019350500000000 ] - [ 0.0000487500000000, -0.0001221000000000, -0.0003357700000000 ] - [ 0.0001095500000000, 0.0001645600000000, 0.0002593700000000 ] - [ -0.0003426000000000, -0.0000972100000000, 0.0005157800000000 ] - [ 0.0019939200000000, -0.0012982500000000, 0.0019350500000000 ] - [ -0.0003081500000000, 0.0003146900000000, -0.0001450500000000 ] - [ -0.0000047600000000, -0.0000220000000000, 0.0000442900000000 ] - [ 0.0005509500000000, 0.0002622100000000, -0.0001491700000000 ] - [ 0.0000454700000000, 0.0000383800000000, 0.0002539300000000 ] - [ 0.0003081500000000, 0.0003146900000000, -0.0001450500000000 ] - [ 0.0000047600000000, -0.0000220000000000, 0.0000442900000000 ] - [ -0.0005509500000000, 0.0002622100000000, -0.0001491700000000 ] - [ -0.0000454700000000, 0.0000383800000000, 0.0002539300000000 ] - [ 0.0003521700000000, 0.0006608800000000, -0.0005667600000000 ] - [ -0.0001639500000000, 0.0001765900000000, 0.0002460600000000 ] - [ 0.0000400500000000, -0.0001899600000000, 0.0001640900000000 ] - [ 0.0003505000000000, 0.0000945600000000, -0.0002068000000000 ] - [ -0.0003521700000000, 0.0006608800000000, -0.0005667600000000 ] - [ 0.0001639500000000, 0.0001765900000000, 0.0002460600000000 ] - [ -0.0000400500000000, -0.0001899600000000, 0.0001640900000000 ] - [ -0.0003505000000000, 0.0000945600000000, -0.0002068000000000 ] - [ 0.0007542900000000, -0.0008037100000000, 0.0008755500000000 ] - [ -0.0001718400000000, 0.0001290700000000, 0.0003707900000000 ] - [ 0.0023593300000000, 0.0020185700000000, -0.0024914500000000 ] - [ 0.0000246800000000, 0.0000265300000000, 0.0002470500000000 ] - [ -0.0007542900000000, -0.0008037100000000, 0.0008755500000000 ] - [ 0.0001718400000000, 0.0001290700000000, 0.0003707900000000 ] - [ -0.0023593300000000, 0.0020185700000000, -0.0024914500000000 ] - [ -0.0000246800000000, 0.0000265300000000, 0.0002470500000000 ] - [ 0.0047351000000000, 0.0021056200000000, -0.0045192200000000 ] - [ -0.0003780000000000, -0.0004589000000000, 0.0006250300000000 ] - [ 0.0004023900000000, 0.0005912300000000, 0.0003850700000000 ] - [ 0.0017423600000000, 0.0001928300000000, -0.0004891600000000 ] - [ -0.0047351000000000, 0.0021056200000000, -0.0045192200000000 ] - [ 0.0003780000000000, -0.0004589000000000, 0.0006250300000000 ] - [ -0.0004023900000000, 0.0005912300000000, 0.0003850700000000 ] - [ -0.0017423600000000, 0.0001928300000000, -0.0004891600000000 ] - [ 0.0000000000000000, -0.0153407500000000, -0.1684153100000000 ] - [ 0.0000000000000000, -0.0002217300000000, 0.0007359200000000 ] - [ 0.0000000000000000, 0.0003313900000000, 0.0007156000000000 ] - [ 0.0000000000000000, 0.0001473100000000, 0.0007172900000000 ] - [ 0.0000000000000000, 0.0077528900000000, 0.0160209600000000 ] - [ 0.0000000000000000, -0.0011360600000000, 0.0014604000000000 ] - [ 0.0000000000000000, 0.0003844100000000, 0.0004853100000000 ] - [ 0.0000000000000000, 0.0008218100000000, -0.0000471400000000 ] - [ -0.0004372300000000, -0.0015125400000000, -0.0000652200000000 ] - [ -0.0003909500000000, -0.0003460200000000, 0.0003700100000000 ] - [ 0.0004622700000000, 0.0004015100000000, 0.0003945900000000 ] - [ -0.0004367200000000, -0.0004170800000000, -0.0000050800000000 ] - [ 0.0004372300000000, -0.0015125400000000, -0.0000652200000000 ] - [ 0.0003909500000000, -0.0003460200000000, 0.0003700100000000 ] - [ -0.0004622700000000, 0.0004015100000000, 0.0003945900000000 ] - [ 0.0004367200000000, -0.0004170800000000, -0.0000050800000000 ] - [ 0.0000000000000000, -0.0007603700000000, 0.0001811700000000 ] - [ 0.0000000000000000, -0.0001982300000000, 0.0004114700000000 ] - [ 0.0000000000000000, 0.0006825600000000, 0.0000594000000000 ] - [ 0.0000000000000000, -0.0002961700000000, 0.0000602700000000 ] - [ 0.0000000000000000, -0.0009500200000000, -0.0005604700000000 ] - [ 0.0000000000000000, -0.0000240100000000, 0.0001628700000000 ] - [ 0.0000000000000000, 0.0003923900000000, 0.0004213400000000 ] - [ 0.0000000000000000, -0.0011475900000000, -0.0004631300000000 ] - [ -0.0000856600000000, -0.0003569500000000, -0.0004054800000000 ] - [ 0.0002325700000000, -0.0001950000000000, 0.0006479700000000 ] - [ -0.0002692000000000, 0.0018896300000000, 0.0022779600000000 ] - [ -0.0000405800000000, 0.0003126000000000, -0.0003308700000000 ] - [ 0.0000856600000000, -0.0003569500000000, -0.0004054800000000 ] - [ -0.0002325700000000, -0.0001950000000000, 0.0006479700000000 ] - [ 0.0002692000000000, 0.0018896300000000, 0.0022779600000000 ] - [ 0.0000405800000000, 0.0003126000000000, -0.0003308700000000 ] - [ 0.0000000000000000, 0.0001437400000000, -0.0005434500000000 ] - [ 0.0000000000000000, 0.0505880800000000, 0.0831893000000000 ] - [ 0.0000000000000000, 0.0000108100000000, -0.0001740500000000 ] - [ 0.0000000000000000, -0.0004426000000000, -0.0001029300000000 ] - [ 0.0000000000000000, -0.0000932000000000, -0.0022865000000000 ] - [ 0.0000000000000000, 0.0005217900000000, -0.0009881300000000 ] - [ 0.0000000000000000, -0.0019313300000000, 0.0006945900000000 ] - [ 0.0000000000000000, -0.0005278600000000, -0.0005660300000000 ] - [ 0.0000000000000000, -0.0401110300000000, 0.0501286600000000 ] - [ 0.0000000000000000, 0.0009561000000000, -0.0007426800000000 ] - [ 0.0000000000000000, -0.0008383800000000, -0.0002585200000000 ] - [ 0.0000000000000000, -0.0007369000000000, -0.0000270400000000 ] - [ 0.0001119200000000, -0.0004040900000000, 0.0000303600000000 ] - [ -0.0002528900000000, -0.0003250800000000, 0.0005123600000000 ] - [ -0.0021366900000000, -0.0027027300000000, -0.0000334500000000 ] - [ -0.0000550600000000, 0.0005049000000000, -0.0002339400000000 ] - [ -0.0000483200000000, -0.0002977600000000, -0.0005062300000000 ] - [ 0.0003223100000000, -0.0001672200000000, -0.0004766000000000 ] - [ 0.0089473800000000, -0.0020393800000000, 0.0117429800000000 ] - [ 0.0000333000000000, 0.0002324200000000, -0.0005570800000000 ] - [ -0.0089473800000000, -0.0020393800000000, 0.0117429800000000 ] - [ -0.0000333000000000, 0.0002324200000000, -0.0005570800000000 ] - [ 0.0000483200000000, -0.0002977600000000, -0.0005062300000000 ] - [ -0.0003223100000000, -0.0001672200000000, -0.0004766000000000 ] - [ 0.0021366900000000, -0.0027027300000000, -0.0000334500000000 ] - [ 0.0000550600000000, 0.0005049000000000, -0.0002339400000000 ] - [ -0.0001119200000000, -0.0004040900000000, 0.0000303600000000 ] - [ 0.0002528900000000, -0.0003250800000000, 0.0005123600000000 ] - [ 0.0000000000000000, 0.0000993400000000, 0.0006950300000000 ] - [ 0.0000000000000000, 0.0005989000000000, -0.0001349800000000 ] - [ 0.0000000000000000, -0.0006746400000000, 0.0000028700000000 ] - [ 0.0000000000000000, -0.0001112200000000, 0.0006090500000000 ] - [ 0.0001206700000000, -0.0001910800000000, -0.0002715500000000 ] - [ -0.0010566900000000, -0.0006455700000000, -0.0004441500000000 ] - [ 0.0011633000000000, 0.0002092100000000, 0.0005545000000000 ] - [ 0.0000472800000000, 0.0002116900000000, -0.0002798600000000 ] - [ -0.0001206700000000, -0.0001910800000000, -0.0002715500000000 ] - [ 0.0010566900000000, -0.0006455700000000, -0.0004441500000000 ] - [ -0.0011633000000000, 0.0002092100000000, 0.0005545000000000 ] - [ -0.0000472800000000, 0.0002116900000000, -0.0002798600000000 ] - [ 0.0000000000000000, 0.0002585300000000, -0.0001507300000000 ] - [ 0.0000000000000000, 0.0008396700000000, 0.0007285000000000 ] - [ 0.0000000000000000, -0.0005226200000000, 0.0002063700000000 ] - [ 0.0000000000000000, -0.0001387300000000, -0.0000492100000000 ] - [ 0.0000000000000000, 0.0007232300000000, -0.0002656400000000 ] - [ 0.0000000000000000, 0.0003220900000000, -0.0002892800000000 ] - [ 0.0000000000000000, 0.0000324200000000, 0.0003234700000000 ] - [ 0.0000000000000000, -0.0005164200000000, -0.0005048800000000 ] - [ 0.0000000000000000, 0.0010549000000000, -0.0000634800000000 ] - [ 0.0000000000000000, 0.0007115900000000, -0.0002251900000000 ] - [ 0.0000000000000000, -0.0008683200000000, -0.0002025900000000 ] - [ 0.0000000000000000, -0.0005453600000000, 0.0000622400000000 ] - [ 0.0000682300000000, -0.0003638400000000, 0.0000194800000000 ] - [ 0.0003169000000000, 0.0003377900000000, 0.0003565500000000 ] - [ 0.0002580800000000, 0.0007931400000000, 0.0003533700000000 ] - [ -0.0001237700000000, 0.0003255400000000, 0.0000670600000000 ] - [ -0.0000400000000000, -0.0003104200000000, -0.0004024200000000 ] - [ -0.0002727400000000, -0.0000690400000000, -0.0002450300000000 ] - [ -0.0003485700000000, 0.0009458900000000, -0.0000279100000000 ] - [ 0.0000725900000000, 0.0002055500000000, -0.0004705900000000 ] - [ 0.0003485700000000, 0.0009458900000000, -0.0000279100000000 ] - [ -0.0000725900000000, 0.0002055500000000, -0.0004705900000000 ] - [ 0.0000400000000000, -0.0003104200000000, -0.0004024200000000 ] - [ 0.0002727400000000, -0.0000690400000000, -0.0002450300000000 ] - [ -0.0002580800000000, 0.0007931400000000, 0.0003533700000000 ] - [ 0.0001237700000000, 0.0003255400000000, 0.0000670600000000 ] - [ -0.0000682300000000, -0.0003638400000000, 0.0000194800000000 ] - [ -0.0003169000000000, 0.0003377900000000, 0.0003565500000000 ] - [ 0.0000000000000000, 0.0014299100000000, 0.0000626800000000 ] - [ 0.0000000000000000, 0.0005443400000000, -0.0000947100000000 ] - [ 0.0000000000000000, -0.0005184600000000, -0.0001174300000000 ] - [ 0.0000000000000000, -0.0003155300000000, -0.0000420500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001713400000000, 0.0004677100000000, 0.0003387400000000 ] - [ -0.0001101200000000, 0.0001846800000000, -0.0002606400000000 ] - [ -0.0001269700000000, -0.0002535300000000, -0.0005186200000000 ] - [ 0.0022331100000000, 0.0009537800000000, -0.0019510600000000 ] - [ 0.0001713400000000, 0.0004677100000000, 0.0003387400000000 ] - [ 0.0001101200000000, 0.0001846800000000, -0.0002606400000000 ] - [ 0.0001269700000000, -0.0002535300000000, -0.0005186200000000 ] - [ -0.0022331100000000, 0.0009537800000000, -0.0019510600000000 ] - [ 0.0002379100000000, -0.0003142400000000, 0.0001435900000000 ] - [ -0.0000662700000000, 0.0000220500000000, -0.0000453000000000 ] - [ -0.0004863900000000, -0.0002684200000000, 0.0001549300000000 ] - [ 0.0000252900000000, -0.0000385100000000, -0.0002548400000000 ] - [ -0.0002379100000000, -0.0003142400000000, 0.0001435900000000 ] - [ 0.0000662700000000, 0.0000220500000000, -0.0000453000000000 ] - [ 0.0004863900000000, -0.0002684200000000, 0.0001549300000000 ] - [ -0.0000252900000000, -0.0000385100000000, -0.0002548400000000 ] - [ -0.0005758600000000, -0.0003057700000000, 0.0005610300000000 ] - [ -0.0000554600000000, 0.0001726600000000, -0.0002470300000000 ] - [ 0.0001801800000000, -0.0001592100000000, -0.0001646600000000 ] - [ -0.0001319900000000, -0.0004443600000000, 0.0002074200000000 ] - [ 0.0005758600000000, -0.0003057700000000, 0.0005610300000000 ] - [ 0.0000554600000000, 0.0001726600000000, -0.0002470300000000 ] - [ -0.0001801800000000, -0.0001592100000000, -0.0001646600000000 ] - [ 0.0001319900000000, -0.0004443600000000, 0.0002074200000000 ] - [ -0.0008322600000000, 0.0008084000000000, -0.0008773500000000 ] - [ 0.0001022100000000, -0.0001298200000000, -0.0003716500000000 ] - [ -0.0023065700000000, -0.0020315400000000, 0.0024976100000000 ] - [ 0.0000466900000000, -0.0000262600000000, -0.0002482900000000 ] - [ 0.0008322600000000, 0.0008084000000000, -0.0008773500000000 ] - [ -0.0001022100000000, -0.0001298200000000, -0.0003716500000000 ] - [ 0.0023065700000000, -0.0020315400000000, 0.0024976100000000 ] - [ -0.0000466900000000, -0.0000262600000000, -0.0002482900000000 ] - [ -0.0055510100000000, -0.0028293000000000, 0.0044729000000000 ] - [ -0.0004322500000000, -0.0002735700000000, -0.0006282900000000 ] - [ 0.0004094100000000, 0.0001421800000000, -0.0003867000000000 ] - [ -0.0009416800000000, 0.0005460200000000, 0.0004933600000000 ] - [ 0.0055510100000000, -0.0028293000000000, 0.0044729000000000 ] - [ 0.0004322500000000, -0.0002735700000000, -0.0006282900000000 ] - [ -0.0004094100000000, 0.0001421800000000, -0.0003867000000000 ] - [ 0.0009416800000000, 0.0005460200000000, 0.0004933600000000 ] - [ 0.0000000000000000, 0.0194669200000000, 0.1690242200000000 ] - [ 0.0000000000000000, -0.0003127900000000, -0.0007517800000000 ] - [ 0.0000000000000000, 0.0001984200000000, -0.0007292900000000 ] - [ 0.0000000000000000, 0.0003858400000000, -0.0007275900000000 ] - [ 0.0000000000000000, -0.0083431500000000, -0.0158956700000000 ] - [ 0.0000000000000000, 0.0006134100000000, -0.0014598500000000 ] - [ 0.0000000000000000, 0.0001463100000000, -0.0004774300000000 ] - [ 0.0000000000000000, -0.0002958900000000, 0.0000472000000000 ] - [ -0.0003745300000000, 0.0007732900000000, 0.0000662200000000 ] - [ -0.0004194600000000, -0.0003867600000000, -0.0003717000000000 ] - [ 0.0003468400000000, 0.0003303500000000, -0.0003955900000000 ] - [ 0.0012512000000000, 0.0011526900000000, 0.0000063600000000 ] - [ 0.0003745300000000, 0.0007732900000000, 0.0000662200000000 ] - [ 0.0004194600000000, -0.0003867600000000, -0.0003717000000000 ] - [ -0.0003468400000000, 0.0003303500000000, -0.0003955900000000 ] - [ -0.0012512000000000, 0.0011526900000000, 0.0000063600000000 ] - [ 0.0000000000000000, 0.0002259500000000, -0.0001881500000000 ] - [ 0.0000000000000000, -0.0003332900000000, -0.0004235500000000 ] - [ 0.0000000000000000, -0.0001513500000000, -0.0000721800000000 ] - [ 0.0000000000000000, 0.0008302300000000, -0.0000713700000000 ] - [ 0.0000000000000000, 0.0004174800000000, 0.0005707000000000 ] - [ 0.0000000000000000, -0.0005082300000000, -0.0001528500000000 ] - [ 0.0000000000000000, 0.0001383900000000, -0.0004125000000000 ] - [ 0.0000000000000000, 0.0016890500000000, 0.0004814700000000 ] - [ 0.0000580500000000, -0.0001276100000000, 0.0004059600000000 ] - [ -0.0002637400000000, -0.0002916700000000, -0.0006480600000000 ] - [ 0.0002872000000000, -0.0013919800000000, -0.0022659400000000 ] - [ 0.0000686400000000, 0.0001717000000000, 0.0003326500000000 ] - [ -0.0000580500000000, -0.0001276100000000, 0.0004059600000000 ] - [ 0.0002637400000000, -0.0002916700000000, -0.0006480600000000 ] - [ -0.0002872000000000, -0.0013919800000000, -0.0022659400000000 ] - [ -0.0000686400000000, 0.0001717000000000, 0.0003326500000000 ] - [ 0.0000000000000000, 0.0006299200000000, 0.0008950800000000 ] - [ 0.0000000000000000, -0.0522341900000000, -0.0855616800000000 ] - [ 0.0000000000000000, -0.0007801900000000, 0.0005194800000000 ] - [ 0.0000000000000000, -0.0003279300000000, 0.0004490600000000 ] - [ 0.0000000000000000, 0.0008791700000000, 0.0019978100000000 ] - [ 0.0000000000000000, 0.0002455300000000, 0.0006666300000000 ] - [ 0.0000000000000000, 0.0011765200000000, -0.0010382300000000 ] - [ 0.0000000000000000, -0.0002422100000000, 0.0002233500000000 ] - [ 0.0000000000000000, 0.0398759700000000, -0.0482140600000000 ] - [ 0.0000000000000000, 0.0005988500000000, 0.0007480300000000 ] - [ 0.0000000000000000, -0.0007164300000000, 0.0002599800000000 ] - [ 0.0000000000000000, -0.0008148400000000, 0.0000277600000000 ] - [ 0.0000413900000000, -0.0001697100000000, 0.0004462300000000 ] - [ 0.0004085900000000, -0.0002504000000000, -0.0000367600000000 ] - [ 0.0019829400000000, 0.0032698200000000, 0.0005063200000000 ] - [ -0.0000992600000000, 0.0000686600000000, 0.0007099500000000 ] - [ -0.0001053100000000, -0.0002772200000000, 0.0000331700000000 ] - [ -0.0004781100000000, -0.0004104500000000, 0.0000031300000000 ] - [ -0.0085393600000000, 0.0023847100000000, -0.0121787500000000 ] - [ 0.0001206500000000, 0.0003424500000000, 0.0000842200000000 ] - [ 0.0085393600000000, 0.0023847100000000, -0.0121787500000000 ] - [ -0.0001206500000000, 0.0003424500000000, 0.0000842200000000 ] - [ 0.0001053100000000, -0.0002772200000000, 0.0000331700000000 ] - [ 0.0004781100000000, -0.0004104500000000, 0.0000031300000000 ] - [ -0.0019829400000000, 0.0032698200000000, 0.0005063200000000 ] - [ 0.0000992600000000, 0.0000686600000000, 0.0007099500000000 ] - [ -0.0000413900000000, -0.0001697100000000, 0.0004462300000000 ] - [ -0.0004085900000000, -0.0002504000000000, -0.0000367600000000 ] - [ 0.0000000000000000, 0.0010096400000000, -0.0006825400000000 ] - [ 0.0000000000000000, 0.0004985100000000, 0.0001361800000000 ] - [ 0.0000000000000000, -0.0004230700000000, -0.0000038200000000 ] - [ 0.0000000000000000, -0.0009981200000000, -0.0006114900000000 ] - [ -0.0001499400000000, -0.0002937300000000, 0.0002724300000000 ] - [ 0.0010334600000000, 0.0001635600000000, 0.0004469100000000 ] - [ -0.0011513900000000, 0.0002839500000000, -0.0005572100000000 ] - [ -0.0000195300000000, 0.0002729500000000, 0.0002813400000000 ] - [ 0.0001499400000000, -0.0002937300000000, 0.0002724300000000 ] - [ -0.0010334600000000, 0.0001635600000000, 0.0004469100000000 ] - [ 0.0011513900000000, 0.0002839500000000, -0.0005572100000000 ] - [ 0.0000195300000000, 0.0002729500000000, 0.0002813400000000 ] - [ 0.0000000000000000, 0.0005121200000000, 0.0004960700000000 ] - [ 0.0000000000000000, -0.0000685100000000, -0.0003863800000000 ] - [ 0.0000000000000000, -0.0002484900000000, 0.0001393600000000 ] - [ 0.0000000000000000, -0.0006325300000000, 0.0003945500000000 ] - [ 0.0000000000000000, 0.0000479800000000, -0.0000787000000000 ] - [ 0.0000000000000000, 0.0004480600000000, -0.0000543400000000 ] - [ 0.0000000000000000, -0.0008069700000000, -0.0006733400000000 ] - [ 0.0000000000000000, -0.0002534200000000, 0.0001619100000000 ] - [ 0.0000000000000000, 0.0005020700000000, 0.0000613100000000 ] - [ 0.0000000000000000, 0.0008439000000000, 0.0002258500000000 ] - [ 0.0000000000000000, -0.0006871600000000, 0.0002036600000000 ] - [ 0.0000000000000000, -0.0010110000000000, -0.0000631600000000 ] - [ 0.0000858800000000, -0.0002100900000000, 0.0004560800000000 ] - [ -0.0001673000000000, -0.0009150900000000, 0.0001166500000000 ] - [ -0.0004115400000000, -0.0002170300000000, 0.0001197100000000 ] - [ -0.0000303000000000, 0.0002486300000000, 0.0004079900000000 ] - [ -0.0001145000000000, -0.0002635300000000, -0.0000708200000000 ] - [ 0.0001194300000000, -0.0005061100000000, -0.0002290400000000 ] - [ 0.0005014000000000, -0.0003699800000000, -0.0004485500000000 ] - [ 0.0000812500000000, 0.0003691400000000, -0.0000035500000000 ] - [ -0.0005014000000000, -0.0003699800000000, -0.0004485500000000 ] - [ -0.0000812500000000, 0.0003691400000000, -0.0000035500000000 ] - [ 0.0001145000000000, -0.0002635300000000, -0.0000708200000000 ] - [ -0.0001194300000000, -0.0005061100000000, -0.0002290400000000 ] - [ 0.0004115400000000, -0.0002170300000000, 0.0001197100000000 ] - [ 0.0000303000000000, 0.0002486300000000, 0.0004079900000000 ] - [ -0.0000858800000000, -0.0002100900000000, 0.0004560800000000 ] - [ 0.0001673000000000, -0.0009150900000000, 0.0001166500000000 ] - [ 0.0000000000000000, -0.0003285500000000, -0.0000629000000000 ] - [ 0.0000000000000000, 0.0005531500000000, 0.0000955900000000 ] - [ 0.0000000000000000, -0.0005788300000000, 0.0001173400000000 ] - [ 0.0000000000000000, -0.0007832100000000, 0.0000412700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002620900000000, 0.0001805500000000, -0.0001333600000000 ] - [ -0.0002620900000000, 0.0001805500000000, 0.0001333600000000 ] - [ 0.0029464500000000, 0.0031275500000000, 0.0000000000000000 ] - [ 0.0001379200000000, -0.0001841500000000, 0.0000000000000000 ] - [ 0.0002668600000000, 0.0001614500000000, -0.0001562200000000 ] - [ 0.0002668600000000, 0.0001614500000000, 0.0001562200000000 ] - [ -0.0002856600000000, -0.0006835400000000, 0.0000000000000000 ] - [ -0.0001376600000000, -0.0001858900000000, 0.0000000000000000 ] - [ -0.0004225300000000, 0.0001158400000000, -0.0002955100000000 ] - [ -0.0000877200000000, 0.0000150700000000, 0.0000073800000000 ] - [ 0.0000712300000000, 0.0000235600000000, 0.0000166100000000 ] - [ 0.0007859000000000, 0.0004587500000000, 0.0016242400000000 ] - [ 0.0007859000000000, 0.0004587500000000, -0.0016242400000000 ] - [ 0.0000712300000000, 0.0000235600000000, -0.0000166100000000 ] - [ -0.0000877200000000, 0.0000150700000000, -0.0000073800000000 ] - [ -0.0004225300000000, 0.0001158400000000, 0.0002955100000000 ] - [ -0.0000097100000000, 0.0001804100000000, 0.0000791400000000 ] - [ -0.0000097100000000, 0.0001804100000000, -0.0000791400000000 ] - [ -0.0003524800000000, -0.0000387200000000, 0.0000000000000000 ] - [ 0.0000665500000000, -0.0001703900000000, 0.0000000000000000 ] - [ -0.0000177100000000, 0.0001645400000000, 0.0000571500000000 ] - [ -0.0000177100000000, 0.0001645400000000, -0.0000571500000000 ] - [ 0.0003414800000000, -0.0015082700000000, 0.0000000000000000 ] - [ -0.0000691100000000, -0.0001743300000000, 0.0000000000000000 ] - [ 0.0001635600000000, 0.0001018200000000, 0.0000126900000000 ] - [ 0.0000075800000000, -0.0000030800000000, 0.0000008700000000 ] - [ -0.0000118600000000, 0.0000014100000000, 0.0000058100000000 ] - [ -0.0001712600000000, 0.0000945400000000, -0.0000063300000000 ] - [ -0.0001712600000000, 0.0000945400000000, 0.0000063300000000 ] - [ -0.0000118600000000, 0.0000014100000000, -0.0000058100000000 ] - [ 0.0000075800000000, -0.0000030800000000, -0.0000008700000000 ] - [ 0.0001635600000000, 0.0001018200000000, -0.0000126900000000 ] - [ -0.0002006500000000, -0.0000964600000000, -0.0001205300000000 ] - [ -0.0002006500000000, -0.0000964600000000, 0.0001205300000000 ] - [ -0.0012022700000000, 0.0043337400000000, 0.0000000000000000 ] - [ 0.0003907800000000, 0.0003531300000000, 0.0000000000000000 ] - [ 0.0003202200000000, -0.0002129000000000, -0.0001513300000000 ] - [ 0.0003202200000000, -0.0002129000000000, 0.0001513300000000 ] - [ 0.0851786600000000, -0.0480892400000000, 0.0000000000000000 ] - [ -0.0003878800000000, 0.0003644400000000, 0.0000000000000000 ] - [ 0.0000106300000000, -0.0002626200000000, -0.0000776900000000 ] - [ 0.0000577200000000, -0.0002345800000000, 0.0002409800000000 ] - [ -0.0005575700000000, 0.0003472300000000, 0.0002655600000000 ] - [ 0.0000105700000000, 0.0001771100000000, 0.0000487700000000 ] - [ 0.0000577200000000, -0.0002345800000000, -0.0002409800000000 ] - [ 0.0000106300000000, -0.0002626200000000, 0.0000776900000000 ] - [ -0.0005575700000000, 0.0003472300000000, -0.0002655600000000 ] - [ 0.0000105700000000, 0.0001771100000000, -0.0000487700000000 ] - [ -0.0003611700000000, -0.0005176400000000, 0.0002406400000000 ] - [ -0.0003611700000000, -0.0005176400000000, -0.0002406400000000 ] - [ 0.0006830400000000, 0.0007631600000000, 0.0000000000000000 ] - [ 0.0004259700000000, 0.0003717200000000, 0.0000000000000000 ] - [ 0.0004751800000000, -0.0004602400000000, 0.0000901800000000 ] - [ 0.0004751800000000, -0.0004602400000000, -0.0000901800000000 ] - [ -0.0007138700000000, 0.0003296200000000, 0.0000000000000000 ] - [ -0.0004211200000000, 0.0003718900000000, 0.0000000000000000 ] - [ 0.0000165300000000, -0.0004180800000000, 0.0001299900000000 ] - [ 0.0005848700000000, -0.0009147200000000, -0.0010515900000000 ] - [ -0.0004203800000000, -0.0002520200000000, -0.0011903800000000 ] - [ 0.0000020100000000, 0.0003085500000000, -0.0000384000000000 ] - [ 0.0005848700000000, -0.0009147200000000, 0.0010515900000000 ] - [ 0.0000165300000000, -0.0004180800000000, -0.0001299900000000 ] - [ -0.0004203800000000, -0.0002520200000000, 0.0011903800000000 ] - [ 0.0000020100000000, 0.0003085500000000, 0.0000384000000000 ] - [ -0.1063069200000000, 0.0541179000000000, 0.0000000000000000 ] - [ -0.0000512800000000, -0.0002453200000000, 0.0000000000000000 ] - [ 0.0000870000000000, 0.0002384400000000, 0.0000728900000000 ] - [ 0.0000870000000000, 0.0002384400000000, -0.0000728900000000 ] - [ 0.0020227500000000, -0.0009453900000000, 0.0000000000000000 ] - [ 0.0000409200000000, -0.0002451900000000, 0.0000000000000000 ] - [ -0.0002196200000000, 0.0002295900000000, -0.0001087800000000 ] - [ -0.0002196200000000, 0.0002295900000000, 0.0001087800000000 ] - [ -0.0000131800000000, 0.0004780600000000, -0.0000026500000000 ] - [ -0.0000056600000000, 0.0003902200000000, 0.0002021800000000 ] - [ 0.0002574700000000, -0.0008768500000000, 0.0005825100000000 ] - [ -0.0000013600000000, -0.0003536200000000, 0.0001144400000000 ] - [ -0.0000131800000000, 0.0004780600000000, 0.0000026500000000 ] - [ -0.0000056600000000, 0.0003902200000000, -0.0002021800000000 ] - [ -0.0000013600000000, -0.0003536200000000, -0.0001144400000000 ] - [ 0.0002574700000000, -0.0008768500000000, -0.0005825100000000 ] - [ -0.0000004600000000, 0.0008245800000000, 0.0001105500000000 ] - [ -0.0000004600000000, 0.0008245800000000, -0.0001105500000000 ] - [ 0.0001483900000000, -0.0009867600000000, 0.0000000000000000 ] - [ -0.0000040600000000, -0.0007447400000000, 0.0000000000000000 ] - [ 0.0000898400000000, -0.0009095900000000, 0.0000136500000000 ] - [ 0.0000816700000000, -0.0002758300000000, 0.0002417700000000 ] - [ 0.0000886000000000, 0.0001645900000000, 0.0007219800000000 ] - [ -0.0001233200000000, 0.0002787000000000, 0.0001000200000000 ] - [ 0.0015870100000000, -0.0019213000000000, -0.0002837400000000 ] - [ -0.0000935500000000, -0.0002757100000000, -0.0002464200000000 ] - [ 0.0001038100000000, 0.0002949900000000, -0.0001363100000000 ] - [ 0.0000334600000000, 0.0002031000000000, -0.0003199400000000 ] - [ -0.0001233200000000, 0.0002787000000000, -0.0001000200000000 ] - [ 0.0000886000000000, 0.0001645900000000, -0.0007219800000000 ] - [ 0.0000898400000000, -0.0009095900000000, -0.0000136500000000 ] - [ 0.0000816700000000, -0.0002758300000000, -0.0002417700000000 ] - [ 0.0000334600000000, 0.0002031000000000, 0.0003199400000000 ] - [ 0.0001038100000000, 0.0002949900000000, 0.0001363100000000 ] - [ 0.0015870100000000, -0.0019213000000000, 0.0002837400000000 ] - [ -0.0000935500000000, -0.0002757100000000, 0.0002464200000000 ] - [ -0.0000485400000000, 0.0005437600000000, -0.0000005500000000 ] - [ -0.0000485400000000, 0.0005437600000000, 0.0000005500000000 ] - [ 0.0066177000000000, -0.0067168000000000, 0.0000000000000000 ] - [ 0.0000008000000000, -0.0005573100000000, 0.0000000000000000 ] - [ 0.0001475800000000, -0.0002881700000000, 0.0000000000000000 ] - [ 0.0000082100000000, -0.0002382100000000, 0.0000000000000000 ] - [ -0.0000833400000000, 0.0002748300000000, -0.0000180400000000 ] - [ -0.0000833400000000, 0.0002748300000000, 0.0000180400000000 ] - [ -0.0001375700000000, -0.0003666000000000, 0.0000000000000000 ] - [ -0.0000091500000000, -0.0002388400000000, 0.0000000000000000 ] - [ 0.0001459900000000, 0.0003617700000000, -0.0000827500000000 ] - [ 0.0001459900000000, 0.0003617700000000, 0.0000827500000000 ] - [ 0.0004043500000000, 0.0012733800000000, 0.0011284700000000 ] - [ 0.0000028200000000, 0.0003904900000000, 0.0000861400000000 ] - [ 0.0005134900000000, -0.0007557500000000, 0.0001066900000000 ] - [ -0.0000044800000000, -0.0003923100000000, 0.0002020900000000 ] - [ 0.0004043500000000, 0.0012733800000000, -0.0011284700000000 ] - [ 0.0000028200000000, 0.0003904900000000, -0.0000861400000000 ] - [ -0.0000044800000000, -0.0003923100000000, -0.0002020900000000 ] - [ 0.0005134900000000, -0.0007557500000000, -0.0001066900000000 ] - [ -0.0000270900000000, 0.0008956600000000, -0.0002025900000000 ] - [ -0.0000270900000000, 0.0008956600000000, 0.0002025900000000 ] - [ 0.0039350300000000, -0.0015984600000000, 0.0000000000000000 ] - [ 0.0000004000000000, -0.0007880800000000, 0.0000000000000000 ] - [ 0.0003518000000000, -0.0003600200000000, 0.0000694500000000 ] - [ 0.0000686500000000, -0.0002912800000000, 0.0002353700000000 ] - [ -0.0000798800000000, 0.0005974000000000, -0.0001831300000000 ] - [ -0.0000398500000000, 0.0003132400000000, 0.0003105700000000 ] - [ 0.0001286900000000, -0.0002564700000000, -0.0002002200000000 ] - [ -0.0000699400000000, -0.0002920000000000, -0.0002372800000000 ] - [ 0.0000313700000000, 0.0003214400000000, -0.0002795800000000 ] - [ 0.0000151300000000, 0.0003810600000000, -0.0001507700000000 ] - [ -0.0000398500000000, 0.0003132400000000, -0.0003105700000000 ] - [ -0.0000798800000000, 0.0005974000000000, 0.0001831300000000 ] - [ 0.0003518000000000, -0.0003600200000000, -0.0000694500000000 ] - [ 0.0000686500000000, -0.0002912800000000, -0.0002353700000000 ] - [ 0.0000151300000000, 0.0003810600000000, 0.0001507700000000 ] - [ 0.0000313700000000, 0.0003214400000000, 0.0002795800000000 ] - [ 0.0001286900000000, -0.0002564700000000, 0.0002002200000000 ] - [ -0.0000699400000000, -0.0002920000000000, 0.0002372800000000 ] - [ -0.0000137000000000, 0.0005791000000000, -0.0000148800000000 ] - [ -0.0000137000000000, 0.0005791000000000, 0.0000148800000000 ] - [ 0.0001547500000000, -0.0006625800000000, 0.0000000000000000 ] - [ -0.0000031500000000, -0.0005404800000000, 0.0000000000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000445800000000, 0.0001703000000000, 0.0001363500000000 ] - [ 0.0000445800000000, 0.0001703000000000, -0.0001363500000000 ] - [ -0.0027368600000000, -0.0035413600000000, 0.0000000000000000 ] - [ 0.0000810600000000, -0.0001658500000000, 0.0000000000000000 ] - [ -0.0000496800000000, 0.0001889000000000, 0.0001606000000000 ] - [ -0.0000496800000000, 0.0001889000000000, -0.0001606000000000 ] - [ 0.0000721400000000, 0.0003436100000000, 0.0000000000000000 ] - [ -0.0000814300000000, -0.0001638000000000, 0.0000000000000000 ] - [ 0.0003555400000000, -0.0001123000000000, 0.0002982500000000 ] - [ 0.0000167500000000, -0.0000147100000000, -0.0000074600000000 ] - [ -0.0000000300000000, -0.0000233100000000, -0.0000168800000000 ] - [ -0.0007173200000000, -0.0004470400000000, -0.0015873200000000 ] - [ -0.0007173200000000, -0.0004470400000000, 0.0015873200000000 ] - [ -0.0000000300000000, -0.0000233100000000, 0.0000168800000000 ] - [ 0.0000167500000000, -0.0000147100000000, 0.0000074600000000 ] - [ 0.0003555400000000, -0.0001123000000000, -0.0002982500000000 ] - [ -0.0002103200000000, 0.0001685200000000, -0.0000813300000000 ] - [ -0.0002103200000000, 0.0001685200000000, 0.0000813300000000 ] - [ 0.0005751100000000, -0.0003144000000000, 0.0000000000000000 ] - [ 0.0001525500000000, -0.0001793900000000, 0.0000000000000000 ] - [ 0.0002385900000000, 0.0001848100000000, -0.0000589100000000 ] - [ 0.0002385900000000, 0.0001848100000000, 0.0000589100000000 ] - [ -0.0005647700000000, 0.0011609800000000, 0.0000000000000000 ] - [ -0.0001499900000000, -0.0001754300000000, 0.0000000000000000 ] - [ -0.0002386100000000, -0.0001061100000000, -0.0000139400000000 ] - [ -0.0000791700000000, 0.0000027300000000, -0.0000009200000000 ] - [ 0.0000832800000000, -0.0000017800000000, -0.0000057300000000 ] - [ 0.0002465700000000, -0.0000991500000000, 0.0000085500000000 ] - [ 0.0002465700000000, -0.0000991500000000, -0.0000085500000000 ] - [ 0.0000832800000000, -0.0000017800000000, 0.0000057300000000 ] - [ -0.0000791700000000, 0.0000027300000000, 0.0000009200000000 ] - [ -0.0002386100000000, -0.0001061100000000, 0.0000139400000000 ] - [ -0.0006093000000000, -0.0006283900000000, 0.0001162200000000 ] - [ -0.0006093000000000, -0.0006283900000000, -0.0001162200000000 ] - [ 0.0020306900000000, -0.0036618000000000, 0.0000000000000000 ] - [ 0.0004183300000000, 0.0003799100000000, 0.0000000000000000 ] - [ 0.0004889600000000, -0.0005198500000000, 0.0001514800000000 ] - [ 0.0004889600000000, -0.0005198500000000, -0.0001514800000000 ] - [ -0.0889270400000000, 0.0513327400000000, 0.0000000000000000 ] - [ -0.0004218100000000, 0.0003685900000000, 0.0000000000000000 ] - [ -0.0000130600000000, -0.0002689700000000, 0.0000659500000000 ] - [ -0.0000657200000000, -0.0002999000000000, -0.0002556600000000 ] - [ 0.0005819800000000, 0.0001772400000000, -0.0002907300000000 ] - [ -0.0000107600000000, 0.0003571100000000, -0.0000605300000000 ] - [ -0.0000657200000000, -0.0002999000000000, 0.0002556600000000 ] - [ -0.0000130600000000, -0.0002689700000000, -0.0000659500000000 ] - [ 0.0005819800000000, 0.0001772400000000, 0.0002907300000000 ] - [ -0.0000107600000000, 0.0003571100000000, 0.0000605300000000 ] - [ -0.0004463000000000, -0.0002157600000000, -0.0002389300000000 ] - [ -0.0004463000000000, -0.0002157600000000, 0.0002389300000000 ] - [ 0.0001226400000000, -0.0000436000000000, 0.0000000000000000 ] - [ 0.0003834700000000, 0.0003601200000000, 0.0000000000000000 ] - [ 0.0003338600000000, -0.0002735500000000, -0.0000886400000000 ] - [ 0.0003338600000000, -0.0002735500000000, 0.0000886400000000 ] - [ -0.0000946800000000, 0.0003886200000000, 0.0000000000000000 ] - [ -0.0003885000000000, 0.0003602100000000, 0.0000000000000000 ] - [ -0.0000164600000000, -0.0001143300000000, -0.0001406600000000 ] - [ -0.0005819700000000, 0.0003842800000000, 0.0010382800000000 ] - [ 0.0004100400000000, 0.0007538100000000, 0.0011250800000000 ] - [ -0.0000019400000000, 0.0002218500000000, 0.0000280500000000 ] - [ -0.0005819700000000, 0.0003842800000000, -0.0010382800000000 ] - [ -0.0000164600000000, -0.0001143300000000, 0.0001406600000000 ] - [ 0.0004100400000000, 0.0007538100000000, -0.0011250800000000 ] - [ -0.0000019400000000, 0.0002218500000000, -0.0000280500000000 ] - [ 0.1094815800000000, -0.0572852700000000, 0.0000000000000000 ] - [ 0.0000240600000000, -0.0002402700000000, 0.0000000000000000 ] - [ -0.0000604900000000, 0.0002453700000000, -0.0000737900000000 ] - [ -0.0000604900000000, 0.0002453700000000, 0.0000737900000000 ] - [ -0.0020332300000000, 0.0004653700000000, 0.0000000000000000 ] - [ -0.0000137900000000, -0.0002402300000000, 0.0000000000000000 ] - [ 0.0001943100000000, 0.0002527200000000, 0.0001105300000000 ] - [ 0.0001943100000000, 0.0002527200000000, -0.0001105300000000 ] - [ 0.0000169000000000, 0.0002930400000000, 0.0003456900000000 ] - [ 0.0000059600000000, 0.0003801800000000, 0.0001417500000000 ] - [ -0.0002694100000000, 0.0001233200000000, -0.0002503200000000 ] - [ 0.0000012000000000, -0.0004174800000000, 0.0002303500000000 ] - [ 0.0000169000000000, 0.0002930400000000, -0.0003456900000000 ] - [ 0.0000059600000000, 0.0003801800000000, -0.0001417500000000 ] - [ 0.0000012000000000, -0.0004174800000000, -0.0002303500000000 ] - [ -0.0002694100000000, 0.0001233200000000, 0.0002503200000000 ] - [ 0.0000026700000000, 0.0007342400000000, -0.0001089300000000 ] - [ 0.0000026700000000, 0.0007342400000000, 0.0001089300000000 ] - [ -0.0001483600000000, -0.0005684500000000, 0.0000000000000000 ] - [ 0.0000042700000000, -0.0008134200000000, 0.0000000000000000 ] - [ 0.0000635500000000, 0.0003426500000000, 0.0004617700000000 ] - [ 0.0000735600000000, -0.0002978900000000, 0.0002314700000000 ] - [ -0.0002382200000000, 0.0004055700000000, -0.0002511600000000 ] - [ -0.0000312200000000, 0.0002944800000000, 0.0003706200000000 ] - [ -0.0017899300000000, 0.0014086400000000, -0.0002066500000000 ] - [ -0.0000614400000000, -0.0002980100000000, -0.0002266200000000 ] - [ 0.0000518500000000, 0.0002778400000000, -0.0003380800000000 ] - [ 0.0001241400000000, 0.0003709600000000, -0.0001534300000000 ] - [ -0.0000312200000000, 0.0002944800000000, -0.0003706200000000 ] - [ -0.0002382200000000, 0.0004055700000000, 0.0002511600000000 ] - [ 0.0000635500000000, 0.0003426500000000, -0.0004617700000000 ] - [ 0.0000735600000000, -0.0002978900000000, -0.0002314700000000 ] - [ 0.0001241400000000, 0.0003709600000000, 0.0001534300000000 ] - [ 0.0000518500000000, 0.0002778400000000, 0.0003380800000000 ] - [ -0.0017899300000000, 0.0014086400000000, 0.0002066500000000 ] - [ -0.0000614400000000, -0.0002980100000000, 0.0002266200000000 ] - [ 0.0000499600000000, 0.0005495700000000, 0.0000019100000000 ] - [ 0.0000499600000000, 0.0005495700000000, -0.0000019100000000 ] - [ -0.0068265100000000, 0.0057098800000000, 0.0000000000000000 ] - [ -0.0000005800000000, -0.0005389300000000, 0.0000000000000000 ] - [ -0.0001767500000000, -0.0001916200000000, 0.0000000000000000 ] - [ -0.0000357200000000, -0.0002462900000000, 0.0000000000000000 ] - [ 0.0001114600000000, 0.0002118900000000, 0.0000182300000000 ] - [ 0.0001114600000000, 0.0002118900000000, -0.0000182300000000 ] - [ 0.0001673600000000, -0.0001124900000000, 0.0000000000000000 ] - [ 0.0000365700000000, -0.0002456900000000, 0.0000000000000000 ] - [ -0.0001744900000000, 0.0001261000000000, 0.0000826300000000 ] - [ -0.0001744900000000, 0.0001261000000000, -0.0000826300000000 ] - [ -0.0004082400000000, -0.0005014600000000, -0.0007802500000000 ] - [ -0.0000031300000000, 0.0003796300000000, 0.0002571100000000 ] - [ -0.0005139200000000, -0.0000159000000000, 0.0002442300000000 ] - [ 0.0000043000000000, -0.0003770000000000, 0.0001406700000000 ] - [ -0.0004082400000000, -0.0005014600000000, 0.0007802500000000 ] - [ -0.0000031300000000, 0.0003796300000000, -0.0002571100000000 ] - [ 0.0000043000000000, -0.0003770000000000, -0.0001406700000000 ] - [ -0.0005139200000000, -0.0000159000000000, -0.0002442300000000 ] - [ 0.0000269600000000, 0.0006617300000000, 0.0002018400000000 ] - [ 0.0000269600000000, 0.0006617300000000, -0.0002018400000000 ] - [ -0.0038676000000000, 0.0000731000000000, 0.0000000000000000 ] - [ -0.0000004200000000, -0.0007680400000000, 0.0000000000000000 ] - [ -0.0001963600000000, -0.0002031800000000, 0.0004007300000000 ] - [ 0.0000865500000000, -0.0002818900000000, 0.0002381600000000 ] - [ -0.0000748500000000, -0.0000221000000000, 0.0006534400000000 ] - [ -0.0001156800000000, 0.0002604100000000, 0.0001630100000000 ] - [ -0.0002920200000000, -0.0003023900000000, -0.0002665400000000 ] - [ -0.0000854600000000, -0.0002811200000000, -0.0002362700000000 ] - [ 0.0001237700000000, 0.0002523600000000, -0.0001940600000000 ] - [ 0.0001396200000000, 0.0001928800000000, -0.0003211000000000 ] - [ -0.0001156800000000, 0.0002604100000000, -0.0001630100000000 ] - [ -0.0000748500000000, -0.0000221000000000, -0.0006534400000000 ] - [ -0.0001963600000000, -0.0002031800000000, -0.0004007300000000 ] - [ 0.0000865500000000, -0.0002818900000000, -0.0002381600000000 ] - [ 0.0001396200000000, 0.0001928800000000, 0.0003211000000000 ] - [ 0.0001237700000000, 0.0002523600000000, 0.0001940600000000 ] - [ -0.0002920200000000, -0.0003023900000000, 0.0002665400000000 ] - [ -0.0000854600000000, -0.0002811200000000, 0.0002362700000000 ] - [ 0.0000135700000000, 0.0005183800000000, 0.0000139800000000 ] - [ 0.0000135700000000, 0.0005183800000000, -0.0000139800000000 ] - [ -0.0001546900000000, -0.0004275600000000, 0.0000000000000000 ] - [ 0.0000029400000000, -0.0005551400000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000398200000000, 0.0003134800000000, 0.0001787300000000 ] - [ 0.0000398200000000, 0.0003134800000000, -0.0001787300000000 ] - [ 0.0022944100000000, 0.0033966200000000, 0.0000000000000000 ] - [ 0.0001322300000000, -0.0001880900000000, 0.0000000000000000 ] - [ -0.0000612400000000, 0.0002105000000000, 0.0003236300000000 ] - [ -0.0000612400000000, 0.0002105000000000, -0.0003236300000000 ] - [ -0.0001454000000000, -0.0000982200000000, 0.0000000000000000 ] - [ -0.0001335200000000, -0.0001679800000000, 0.0000000000000000 ] - [ 0.0000444800000000, 0.0002498900000000, 0.0000436000000000 ] - [ -0.0000391100000000, 0.0000234400000000, 0.0000054000000000 ] - [ 0.0000534000000000, 0.0000288600000000, -0.0000017700000000 ] - [ 0.0006965100000000, 0.0012147300000000, 0.0024947700000000 ] - [ 0.0006965100000000, 0.0012147300000000, -0.0024947700000000 ] - [ 0.0000534000000000, 0.0000288600000000, 0.0000017700000000 ] - [ -0.0000391100000000, 0.0000234400000000, -0.0000054000000000 ] - [ 0.0000444800000000, 0.0002498900000000, -0.0000436000000000 ] - [ -0.0000785900000000, 0.0001030400000000, -0.0001659800000000 ] - [ -0.0000785900000000, 0.0001030400000000, 0.0001659800000000 ] - [ 0.0001954900000000, -0.0003477400000000, 0.0000000000000000 ] - [ 0.0001041000000000, -0.0001786200000000, 0.0000000000000000 ] - [ 0.0001587400000000, 0.0001032800000000, -0.0001094300000000 ] - [ 0.0001587400000000, 0.0001032800000000, 0.0001094300000000 ] - [ -0.0008627300000000, -0.0019406300000000, 0.0000000000000000 ] - [ -0.0001027900000000, -0.0001762900000000, 0.0000000000000000 ] - [ -0.0002232700000000, -0.0003864900000000, -0.0000893400000000 ] - [ -0.0000345900000000, -0.0000457000000000, -0.0000039800000000 ] - [ 0.0000245000000000, -0.0000437300000000, 0.0000166100000000 ] - [ 0.0002281300000000, -0.0003907600000000, 0.0001562800000000 ] - [ 0.0002281300000000, -0.0003907600000000, -0.0001562800000000 ] - [ 0.0000245000000000, -0.0000437300000000, -0.0000166100000000 ] - [ -0.0000345900000000, -0.0000457000000000, 0.0000039800000000 ] - [ -0.0002232700000000, -0.0003864900000000, 0.0000893400000000 ] - [ -0.0002552700000000, 0.0005459700000000, -0.0004413100000000 ] - [ -0.0002552700000000, 0.0005459700000000, 0.0004413100000000 ] - [ -0.0003880200000000, 0.0028903500000000, 0.0000000000000000 ] - [ 0.0003659600000000, 0.0004218600000000, 0.0000000000000000 ] - [ 0.0004347300000000, -0.0001806500000000, -0.0001911100000000 ] - [ 0.0004347300000000, -0.0001806500000000, 0.0001911100000000 ] - [ -0.0508315500000000, 0.0484501500000000, 0.0000000000000000 ] - [ -0.0003968100000000, 0.0004366800000000, 0.0000000000000000 ] - [ -0.0001566400000000, -0.0002281100000000, -0.0001196700000000 ] - [ -0.0004310300000000, -0.0005007900000000, 0.0000415500000000 ] - [ 0.0031208400000000, -0.0009830500000000, -0.0016529900000000 ] - [ 0.0000025900000000, 0.0004427300000000, -0.0000758000000000 ] - [ -0.0004310300000000, -0.0005007900000000, -0.0000415500000000 ] - [ -0.0001566400000000, -0.0002281100000000, 0.0001196700000000 ] - [ 0.0031208400000000, -0.0009830500000000, 0.0016529900000000 ] - [ 0.0000025900000000, 0.0004427300000000, 0.0000758000000000 ] - [ -0.0002712400000000, -0.0004178000000000, 0.0001489200000000 ] - [ -0.0002712400000000, -0.0004178000000000, -0.0001489200000000 ] - [ 0.0000486700000000, -0.0006231600000000, 0.0000000000000000 ] - [ 0.0004086100000000, 0.0003330900000000, 0.0000000000000000 ] - [ 0.0004236300000000, -0.0004924900000000, 0.0001290300000000 ] - [ 0.0004236300000000, -0.0004924900000000, -0.0001290300000000 ] - [ -0.0002059900000000, 0.0000352800000000, 0.0000000000000000 ] - [ -0.0004096100000000, 0.0003526000000000, 0.0000000000000000 ] - [ 0.0000021300000000, -0.0003115600000000, 0.0000456000000000 ] - [ 0.0002163200000000, -0.0004912300000000, -0.0004050100000000 ] - [ 0.0003939900000000, 0.0007450500000000, 0.0000319500000000 ] - [ 0.0000140400000000, 0.0001994800000000, 0.0000254500000000 ] - [ 0.0002163200000000, -0.0004912300000000, 0.0004050100000000 ] - [ 0.0000021300000000, -0.0003115600000000, -0.0000456000000000 ] - [ 0.0003939900000000, 0.0007450500000000, -0.0000319500000000 ] - [ 0.0000140400000000, 0.0001994800000000, -0.0000254500000000 ] - [ 0.0565382000000000, -0.0615095400000000, 0.0000000000000000 ] - [ -0.0000165200000000, -0.0003068600000000, 0.0000000000000000 ] - [ 0.0000102800000000, 0.0001164000000000, -0.0000023600000000 ] - [ 0.0000102800000000, 0.0001164000000000, 0.0000023600000000 ] - [ 0.0007171300000000, -0.0009863600000000, 0.0000000000000000 ] - [ 0.0000165000000000, -0.0002756700000000, 0.0000000000000000 ] - [ -0.0000016600000000, -0.0000376400000000, -0.0000356600000000 ] - [ -0.0000016600000000, -0.0000376400000000, 0.0000356600000000 ] - [ 0.0003979300000000, 0.0006617400000000, -0.0001180800000000 ] - [ 0.0000213800000000, 0.0004048500000000, 0.0002217100000000 ] - [ -0.0010677600000000, 0.0009825000000000, -0.0006135500000000 ] - [ -0.0000084300000000, -0.0004592500000000, 0.0002560600000000 ] - [ 0.0003979300000000, 0.0006617400000000, 0.0001180800000000 ] - [ 0.0000213800000000, 0.0004048500000000, -0.0002217100000000 ] - [ -0.0000084300000000, -0.0004592500000000, -0.0002560600000000 ] - [ -0.0010677600000000, 0.0009825000000000, 0.0006135500000000 ] - [ 0.0001229600000000, 0.0009066400000000, 0.0001921000000000 ] - [ 0.0001229600000000, 0.0009066400000000, -0.0001921000000000 ] - [ -0.0004653700000000, -0.0005143700000000, 0.0000000000000000 ] - [ 0.0000024400000000, -0.0008595700000000, 0.0000000000000000 ] - [ -0.0006019300000000, -0.0008372500000000, -0.0002148400000000 ] - [ 0.0000753400000000, -0.0003187800000000, 0.0002166600000000 ] - [ 0.0002070600000000, -0.0001086300000000, 0.0004899200000000 ] - [ -0.0000704100000000, 0.0002432000000000, -0.0001153900000000 ] - [ -0.0069345600000000, 0.0036099300000000, 0.0000975500000000 ] - [ -0.0000645400000000, -0.0003244500000000, -0.0002117900000000 ] - [ 0.0000979400000000, 0.0002294900000000, -0.0002130500000000 ] - [ 0.0002586800000000, 0.0002226900000000, -0.0003331900000000 ] - [ -0.0000704100000000, 0.0002432000000000, 0.0001153900000000 ] - [ 0.0002070600000000, -0.0001086300000000, -0.0004899200000000 ] - [ -0.0006019300000000, -0.0008372500000000, 0.0002148400000000 ] - [ 0.0000753400000000, -0.0003187800000000, -0.0002166600000000 ] - [ 0.0002586800000000, 0.0002226900000000, 0.0003331900000000 ] - [ 0.0000979400000000, 0.0002294900000000, 0.0002130500000000 ] - [ -0.0069345600000000, 0.0036099300000000, -0.0000975500000000 ] - [ -0.0000645400000000, -0.0003244500000000, 0.0002117900000000 ] - [ 0.0000472000000000, 0.0002594900000000, 0.0001331500000000 ] - [ 0.0000472000000000, 0.0002594900000000, -0.0001331500000000 ] - [ 0.0026591000000000, -0.0039007500000000, 0.0000000000000000 ] - [ 0.0000185800000000, -0.0005901900000000, 0.0000000000000000 ] - [ -0.0000624100000000, -0.0000118700000000, 0.0000000000000000 ] - [ -0.0000101200000000, -0.0002180500000000, 0.0000000000000000 ] - [ 0.0000457200000000, 0.0003800200000000, -0.0000019700000000 ] - [ 0.0000457200000000, 0.0003800200000000, 0.0000019700000000 ] - [ 0.0001413900000000, 0.0003079400000000, 0.0000000000000000 ] - [ 0.0000107200000000, -0.0002164800000000, 0.0000000000000000 ] - [ -0.0001322700000000, 0.0004025300000000, -0.0000653500000000 ] - [ -0.0001322700000000, 0.0004025300000000, 0.0000653500000000 ] - [ 0.0004444500000000, 0.0006963200000000, 0.0006638900000000 ] - [ -0.0000027800000000, 0.0003802800000000, 0.0001336000000000 ] - [ -0.0003112800000000, -0.0003309400000000, 0.0003564200000000 ] - [ -0.0000050200000000, -0.0003585400000000, 0.0001356800000000 ] - [ 0.0004444500000000, 0.0006963200000000, -0.0006638900000000 ] - [ -0.0000027800000000, 0.0003802800000000, -0.0001336000000000 ] - [ -0.0000050200000000, -0.0003585400000000, -0.0001356800000000 ] - [ -0.0003112800000000, -0.0003309400000000, -0.0003564200000000 ] - [ -0.0000128700000000, 0.0008076500000000, -0.0001068400000000 ] - [ -0.0000128700000000, 0.0008076500000000, 0.0001068400000000 ] - [ -0.0010510000000000, 0.0002671400000000, 0.0000000000000000 ] - [ -0.0000031200000000, -0.0007433100000000, 0.0000000000000000 ] - [ -0.0004564600000000, 0.0002078200000000, 0.0002328900000000 ] - [ 0.0000766200000000, -0.0002734300000000, 0.0002493300000000 ] - [ -0.0000885700000000, 0.0003707000000000, 0.0000588000000000 ] - [ -0.0000915800000000, 0.0003041300000000, 0.0002591000000000 ] - [ -0.0004415500000000, -0.0000299700000000, -0.0001769000000000 ] - [ -0.0000877200000000, -0.0002768900000000, -0.0002479700000000 ] - [ 0.0000654100000000, 0.0003117300000000, -0.0002693000000000 ] - [ 0.0000517400000000, 0.0003172400000000, -0.0001283300000000 ] - [ -0.0000915800000000, 0.0003041300000000, -0.0002591000000000 ] - [ -0.0000885700000000, 0.0003707000000000, -0.0000588000000000 ] - [ -0.0004564600000000, 0.0002078200000000, -0.0002328900000000 ] - [ 0.0000766200000000, -0.0002734300000000, -0.0002493300000000 ] - [ 0.0000517400000000, 0.0003172400000000, 0.0001283300000000 ] - [ 0.0000654100000000, 0.0003117300000000, 0.0002693000000000 ] - [ -0.0004415500000000, -0.0000299700000000, 0.0001769000000000 ] - [ -0.0000877200000000, -0.0002768900000000, 0.0002479700000000 ] - [ -0.0000249000000000, 0.0006495900000000, -0.0000616800000000 ] - [ -0.0000249000000000, 0.0006495900000000, 0.0000616800000000 ] - [ -0.0002054400000000, -0.0001427400000000, 0.0000000000000000 ] - [ -0.0000057600000000, -0.0005297300000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002584800000000, 0.0000357700000000, -0.0001782300000000 ] - [ -0.0002584800000000, 0.0000357700000000, 0.0001782300000000 ] - [ -0.0022176800000000, -0.0039847200000000, 0.0000000000000000 ] - [ 0.0000865600000000, -0.0001613100000000, 0.0000000000000000 ] - [ 0.0002797100000000, 0.0001391400000000, -0.0003224500000000 ] - [ 0.0002797100000000, 0.0001391400000000, 0.0003224500000000 ] - [ -0.0000742400000000, -0.0002515300000000, 0.0000000000000000 ] - [ -0.0000853200000000, -0.0001814200000000, 0.0000000000000000 ] - [ -0.0001128400000000, -0.0002504900000000, -0.0000447900000000 ] - [ -0.0000312600000000, -0.0000233300000000, -0.0000054100000000 ] - [ 0.0000172300000000, -0.0000288900000000, 0.0000016300000000 ] - [ -0.0006302100000000, -0.0012447900000000, -0.0024982200000000 ] - [ -0.0006302100000000, -0.0012447900000000, 0.0024982200000000 ] - [ 0.0000172300000000, -0.0000288900000000, -0.0000016300000000 ] - [ -0.0000312600000000, -0.0000233300000000, 0.0000054100000000 ] - [ -0.0001128400000000, -0.0002504900000000, 0.0000447900000000 ] - [ -0.0001410200000000, 0.0002466200000000, 0.0001662800000000 ] - [ -0.0001410200000000, 0.0002466200000000, -0.0001662800000000 ] - [ 0.0000272000000000, -0.0000003000000000, 0.0000000000000000 ] - [ 0.0001151800000000, -0.0001706600000000, 0.0000000000000000 ] - [ 0.0000608400000000, 0.0002465400000000, 0.0001097000000000 ] - [ 0.0000608400000000, 0.0002465400000000, -0.0001097000000000 ] - [ 0.0006355900000000, 0.0016019500000000, 0.0000000000000000 ] - [ -0.0001165600000000, -0.0001729600000000, 0.0000000000000000 ] - [ 0.0001512400000000, 0.0003866100000000, 0.0000897700000000 ] - [ -0.0000368900000000, 0.0000460000000000, 0.0000039700000000 ] - [ 0.0000466100000000, 0.0000439700000000, -0.0000166600000000 ] - [ -0.0001559900000000, 0.0003911900000000, -0.0001565100000000 ] - [ -0.0001559900000000, 0.0003911900000000, 0.0001565100000000 ] - [ 0.0000466100000000, 0.0000439700000000, 0.0000166600000000 ] - [ -0.0000368900000000, 0.0000460000000000, -0.0000039700000000 ] - [ 0.0001512400000000, 0.0003866100000000, -0.0000897700000000 ] - [ -0.0005576500000000, -0.0012790900000000, 0.0004411300000000 ] - [ -0.0005576500000000, -0.0012790900000000, -0.0004411300000000 ] - [ 0.0011899000000000, -0.0021407000000000, 0.0000000000000000 ] - [ 0.0004438800000000, 0.0003111300000000, 0.0000000000000000 ] - [ 0.0003760400000000, -0.0005516400000000, 0.0001916400000000 ] - [ 0.0003760400000000, -0.0005516400000000, -0.0001916400000000 ] - [ 0.0485597400000000, -0.0472982300000000, 0.0000000000000000 ] - [ -0.0004131300000000, 0.0002962400000000, 0.0000000000000000 ] - [ 0.0001564900000000, -0.0003034000000000, 0.0001092300000000 ] - [ 0.0004289000000000, -0.0000324400000000, -0.0000554300000000 ] - [ -0.0031186100000000, 0.0015087700000000, 0.0016280100000000 ] - [ -0.0000026600000000, 0.0000899500000000, 0.0000647800000000 ] - [ 0.0004289000000000, -0.0000324400000000, 0.0000554300000000 ] - [ 0.0001564900000000, -0.0003034000000000, -0.0001092300000000 ] - [ -0.0031186100000000, 0.0015087700000000, -0.0016280100000000 ] - [ -0.0000026600000000, 0.0000899500000000, -0.0000647800000000 ] - [ -0.0005394500000000, -0.0003129200000000, -0.0001509200000000 ] - [ -0.0005394500000000, -0.0003129200000000, 0.0001509200000000 ] - [ 0.0007602500000000, 0.0013557500000000, 0.0000000000000000 ] - [ 0.0004011100000000, 0.0003998100000000, 0.0000000000000000 ] - [ 0.0003863000000000, -0.0002387600000000, -0.0001300400000000 ] - [ 0.0003863000000000, -0.0002387600000000, 0.0001300400000000 ] - [ -0.0006024000000000, 0.0006995900000000, 0.0000000000000000 ] - [ -0.0004002200000000, 0.0003803200000000, 0.0000000000000000 ] - [ -0.0000023200000000, -0.0002185800000000, -0.0000575000000000 ] - [ -0.0002197300000000, -0.0000352800000000, 0.0004038000000000 ] - [ -0.0003858200000000, -0.0002165600000000, -0.0000434200000000 ] - [ -0.0000140800000000, 0.0003326900000000, -0.0000361700000000 ] - [ -0.0002197300000000, -0.0000352800000000, -0.0004038000000000 ] - [ -0.0000023200000000, -0.0002185800000000, 0.0000575000000000 ] - [ -0.0003858200000000, -0.0002165600000000, 0.0000434200000000 ] - [ -0.0000140800000000, 0.0003326900000000, 0.0000361700000000 ] - [ -0.0548450800000000, 0.0608309900000000, 0.0000000000000000 ] - [ -0.0000106500000000, -0.0001778700000000, 0.0000000000000000 ] - [ 0.0000163500000000, 0.0003691900000000, 0.0000022500000000 ] - [ 0.0000163500000000, 0.0003691900000000, -0.0000022500000000 ] - [ -0.0006946700000000, 0.0004959700000000, 0.0000000000000000 ] - [ 0.0000106300000000, -0.0002092700000000, 0.0000000000000000 ] - [ -0.0000239600000000, 0.0005234700000000, 0.0000367800000000 ] - [ -0.0000239600000000, 0.0005234700000000, -0.0000367800000000 ] - [ -0.0003996400000000, 0.0001087000000000, 0.0004641100000000 ] - [ -0.0000214000000000, 0.0003655200000000, 0.0001219000000000 ] - [ 0.0010638500000000, -0.0017435300000000, 0.0009521600000000 ] - [ 0.0000084300000000, -0.0003107600000000, 0.0000880900000000 ] - [ -0.0003996400000000, 0.0001087000000000, -0.0004641100000000 ] - [ -0.0000214000000000, 0.0003655200000000, -0.0001219000000000 ] - [ 0.0000084300000000, -0.0003107600000000, -0.0000880900000000 ] - [ 0.0010638500000000, -0.0017435300000000, -0.0009521600000000 ] - [ -0.0001226400000000, 0.0006505000000000, -0.0001925800000000 ] - [ -0.0001226400000000, 0.0006505000000000, 0.0001925800000000 ] - [ 0.0004658900000000, -0.0010449300000000, 0.0000000000000000 ] - [ -0.0000023300000000, -0.0006973300000000, 0.0000000000000000 ] - [ 0.0007514800000000, 0.0002621400000000, 0.0006870800000000 ] - [ 0.0000797100000000, -0.0002546200000000, 0.0002568100000000 ] - [ -0.0003577600000000, 0.0006842800000000, -0.0000137200000000 ] - [ -0.0000838000000000, 0.0003305400000000, 0.0005898800000000 ] - [ 0.0067161000000000, -0.0041353700000000, -0.0005965200000000 ] - [ -0.0000905000000000, -0.0002489000000000, -0.0002615800000000 ] - [ 0.0000568700000000, 0.0003441100000000, -0.0002607600000000 ] - [ -0.0001040500000000, 0.0003513400000000, -0.0001399400000000 ] - [ -0.0000838000000000, 0.0003305400000000, -0.0005898800000000 ] - [ -0.0003577600000000, 0.0006842800000000, 0.0000137200000000 ] - [ 0.0007514800000000, 0.0002621400000000, -0.0006870800000000 ] - [ 0.0000797100000000, -0.0002546200000000, -0.0002568100000000 ] - [ -0.0001040500000000, 0.0003513400000000, 0.0001399400000000 ] - [ 0.0000568700000000, 0.0003441100000000, 0.0002607600000000 ] - [ 0.0067161000000000, -0.0041353700000000, 0.0005965200000000 ] - [ -0.0000905000000000, -0.0002489000000000, 0.0002615800000000 ] - [ -0.0000474600000000, 0.0008374800000000, -0.0001330600000000 ] - [ -0.0000474600000000, 0.0008374800000000, 0.0001330600000000 ] - [ -0.0026376900000000, 0.0027819900000000, 0.0000000000000000 ] - [ -0.0000186100000000, -0.0005056300000000, 0.0000000000000000 ] - [ 0.0000349700000000, -0.0004736300000000, 0.0000000000000000 ] - [ -0.0000174300000000, -0.0002667600000000, 0.0000000000000000 ] - [ -0.0000179300000000, 0.0001047900000000, 0.0000021900000000 ] - [ -0.0000179300000000, 0.0001047900000000, -0.0000021900000000 ] - [ -0.0001135000000000, -0.0007927700000000, 0.0000000000000000 ] - [ 0.0000167100000000, -0.0002683400000000, 0.0000000000000000 ] - [ 0.0001044000000000, 0.0000817100000000, 0.0000657800000000 ] - [ 0.0001044000000000, 0.0000817100000000, -0.0000657800000000 ] - [ -0.0004427100000000, 0.0000685500000000, -0.0003260900000000 ] - [ 0.0000025800000000, 0.0003898600000000, 0.0002107500000000 ] - [ 0.0003112600000000, -0.0004363500000000, -0.0000131400000000 ] - [ 0.0000049300000000, -0.0004112400000000, 0.0002081200000000 ] - [ -0.0004427100000000, 0.0000685500000000, 0.0003260900000000 ] - [ 0.0000025800000000, 0.0003898600000000, -0.0002107500000000 ] - [ 0.0000049300000000, -0.0004112400000000, -0.0002081200000000 ] - [ 0.0003112600000000, -0.0004363500000000, 0.0000131400000000 ] - [ 0.0000129600000000, 0.0007480400000000, 0.0001084700000000 ] - [ 0.0000129600000000, 0.0007480400000000, -0.0001084700000000 ] - [ 0.0010529500000000, -0.0018520700000000, 0.0000000000000000 ] - [ 0.0000031400000000, -0.0008131800000000, 0.0000000000000000 ] - [ 0.0006158500000000, -0.0007842600000000, 0.0002409800000000 ] - [ 0.0000784300000000, -0.0002999700000000, 0.0002240900000000 ] - [ -0.0000667100000000, 0.0002005500000000, 0.0004183500000000 ] - [ -0.0000637200000000, 0.0002692900000000, 0.0002139700000000 ] - [ 0.0002888000000000, -0.0005480300000000, -0.0002985200000000 ] - [ -0.0000674100000000, -0.0002964000000000, -0.0002254400000000 ] - [ 0.0000898000000000, 0.0002617800000000, -0.0002040100000000 ] - [ 0.0001035600000000, 0.0002554200000000, -0.0003466300000000 ] - [ -0.0000637200000000, 0.0002692900000000, -0.0002139700000000 ] - [ -0.0000667100000000, 0.0002005500000000, -0.0004183500000000 ] - [ 0.0006158500000000, -0.0007842600000000, -0.0002409800000000 ] - [ 0.0000784300000000, -0.0002999700000000, -0.0002240900000000 ] - [ 0.0001035600000000, 0.0002554200000000, 0.0003466300000000 ] - [ 0.0000898000000000, 0.0002617800000000, 0.0002040100000000 ] - [ 0.0002888000000000, -0.0005480300000000, 0.0002985200000000 ] - [ -0.0000674100000000, -0.0002964000000000, 0.0002254400000000 ] - [ 0.0000249200000000, 0.0004462600000000, 0.0000619700000000 ] - [ 0.0000249200000000, 0.0004462600000000, -0.0000619700000000 ] - [ 0.0002063400000000, -0.0009543400000000, 0.0000000000000000 ] - [ 0.0000056200000000, -0.0005661300000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001985300000000, 0.0001205200000000, -0.0001491600000000 ] - [ -0.0000213700000000, 0.0002288800000000, -0.0001482100000000 ] - [ 0.0001200700000000, -0.0001647100000000, 0.0007090400000000 ] - [ 0.0001095900000000, -0.0001750400000000, -0.0002270300000000 ] - [ 0.0001421000000000, 0.0002710800000000, -0.0002225700000000 ] - [ 0.0000781300000000, 0.0000784900000000, -0.0002210500000000 ] - [ -0.0001111800000000, -0.0001771100000000, 0.0002254500000000 ] - [ -0.0001096200000000, -0.0001752100000000, -0.0001882500000000 ] - [ 0.0000201400000000, -0.0000687100000000, 0.0001031100000000 ] - [ -0.0000264900000000, 0.0000107400000000, -0.0001205400000000 ] - [ 0.0001047500000000, -0.0000253900000000, -0.0002200300000000 ] - [ 0.0022417200000000, 0.0022864900000000, 0.0081124700000000 ] - [ -0.0020303300000000, -0.0021927700000000, 0.0077966700000000 ] - [ -0.0000345700000000, 0.0000254900000000, -0.0002201700000000 ] - [ -0.0000448900000000, -0.0000106700000000, -0.0001206800000000 ] - [ -0.0000921200000000, 0.0000681500000000, 0.0001046800000000 ] - [ 0.0000429400000000, 0.0000670600000000, -0.0001328900000000 ] - [ -0.0002628600000000, 0.0002826600000000, -0.0001328400000000 ] - [ 0.0001092600000000, -0.0001742400000000, 0.0004467800000000 ] - [ 0.0001097500000000, -0.0001750700000000, -0.0001424600000000 ] - [ 0.0000745100000000, 0.0001638200000000, -0.0000746000000000 ] - [ 0.0001452100000000, 0.0001855300000000, -0.0000745600000000 ] - [ -0.0001080900000000, -0.0001732400000000, 0.0008923800000000 ] - [ -0.0001097900000000, -0.0001751400000000, -0.0001593300000000 ] - [ 0.0000954200000000, 0.0000920600000000, 0.0001753300000000 ] - [ -0.0000669400000000, 0.0000317000000000, -0.0001215100000000 ] - [ 0.0000026100000000, -0.0000412900000000, -0.0001557900000000 ] - [ 0.0001883800000000, -0.0000796300000000, 0.0002546800000000 ] - [ -0.0001182600000000, 0.0000809100000000, 0.0002553700000000 ] - [ 0.0000688100000000, 0.0000416400000000, -0.0001558600000000 ] - [ -0.0000044200000000, -0.0000313800000000, -0.0001215100000000 ] - [ -0.0001660900000000, -0.0000912000000000, 0.0001751700000000 ] - [ -0.0004317500000000, 0.0002092500000000, -0.0006259100000000 ] - [ -0.0003793600000000, -0.0009453100000000, -0.0006258500000000 ] - [ 0.0003983500000000, 0.0003835900000000, 0.0002595300000000 ] - [ 0.0004052100000000, 0.0003662800000000, -0.0002692600000000 ] - [ 0.0001464900000000, -0.0004948900000000, -0.0001074400000000 ] - [ 0.0006642800000000, -0.0002376900000000, -0.0001069000000000 ] - [ -0.0001789300000000, 0.0002281500000000, 0.0148056200000000 ] - [ -0.0004050800000000, 0.0003663400000000, -0.0003322500000000 ] - [ -0.0002652300000000, -0.0004067500000000, -0.0004104700000000 ] - [ 0.0009627500000000, 0.0004989600000000, 0.0006465800000000 ] - [ -0.0035714400000000, 0.0014870200000000, 0.0022702600000000 ] - [ 0.0000377100000000, 0.0002925100000000, -0.0003371100000000 ] - [ -0.0009592400000000, -0.0010289000000000, 0.0006497700000000 ] - [ 0.0002666400000000, -0.0001251700000000, -0.0004007500000000 ] - [ 0.0035607300000000, -0.0009349500000000, 0.0022734600000000 ] - [ -0.0000374700000000, 0.0002388800000000, -0.0003266900000000 ] - [ -0.0005402700000000, -0.0004565900000000, -0.0001917000000000 ] - [ -0.0002698500000000, -0.0002755000000000, -0.0001913900000000 ] - [ 0.0004056000000000, 0.0003674300000000, 0.0006642600000000 ] - [ 0.0004050700000000, 0.0003664500000000, -0.0002605500000000 ] - [ 0.0004363000000000, -0.0003894000000000, -0.0001688100000000 ] - [ 0.0003738000000000, -0.0003425400000000, -0.0001680200000000 ] - [ -0.0004049200000000, 0.0003687400000000, 0.0005802600000000 ] - [ -0.0004050800000000, 0.0003663800000000, -0.0002553500000000 ] - [ -0.0000044100000000, -0.0002967400000000, -0.0002772900000000 ] - [ 0.0001736300000000, -0.0003718300000000, -0.0004498800000000 ] - [ -0.0001676100000000, 0.0001068900000000, 0.0005614300000000 ] - [ 0.0000059200000000, 0.0002742600000000, -0.0002860100000000 ] - [ -0.0001729800000000, -0.0001592300000000, -0.0004409600000000 ] - [ 0.0000044200000000, -0.0002348000000000, -0.0002662600000000 ] - [ 0.0001758700000000, 0.0004322000000000, 0.0005499800000000 ] - [ -0.0000059300000000, 0.0002576400000000, -0.0002754500000000 ] - [ -0.0004137100000000, -0.0002154600000000, -0.0353006600000000 ] - [ -0.0000139600000000, -0.0002419800000000, 0.0002520600000000 ] - [ 0.0000870400000000, 0.0002401300000000, 0.0000702400000000 ] - [ -0.0000596700000000, 0.0002445800000000, 0.0000696300000000 ] - [ 0.0000201400000000, -0.0002465200000000, -0.0002741100000000 ] - [ 0.0000138600000000, -0.0002420400000000, 0.0001794500000000 ] - [ 0.0000956300000000, 0.0002065900000000, 0.0005205000000000 ] - [ -0.0001239400000000, 0.0002789800000000, 0.0005219200000000 ] - [ -0.0001495800000000, 0.0002260500000000, -0.0001106900000000 ] - [ 0.0000374900000000, 0.0005127500000000, 0.0004334200000000 ] - [ 0.0011858000000000, -0.0016318100000000, 0.0005770500000000 ] - [ -0.0000158600000000, -0.0004618800000000, 0.0004279900000000 ] - [ 0.0001494700000000, 0.0005446000000000, -0.0004531000000000 ] - [ -0.0000376600000000, 0.0002577100000000, 0.0000888600000000 ] - [ 0.0000157700000000, -0.0003082400000000, 0.0000834700000000 ] - [ -0.0011847800000000, 0.0008597200000000, 0.0002355000000000 ] - [ 0.0002969100000000, 0.0011904200000000, 0.0003054300000000 ] - [ -0.0002992900000000, 0.0003620000000000, 0.0003072500000000 ] - [ -0.0000020500000000, -0.0007764100000000, -0.0017212900000000 ] - [ -0.0000000200000000, -0.0007777700000000, 0.0002464100000000 ] - [ -0.0004227600000000, -0.0005557000000000, -0.0003884900000000 ] - [ 0.0000712200000000, -0.0002364200000000, 0.0004011000000000 ] - [ 0.0009595300000000, 0.0002434000000000, 0.0006076300000000 ] - [ -0.0001400000000000, 0.0001951700000000, 0.0007506600000000 ] - [ 0.0066899300000000, -0.0046190200000000, -0.0015762100000000 ] - [ -0.0001076600000000, -0.0003463200000000, -0.0000616000000000 ] - [ 0.0001930800000000, 0.0003396900000000, -0.0001327600000000 ] - [ -0.0002099600000000, 0.0002328500000000, -0.0002615500000000 ] - [ -0.0000142000000000, 0.0003790500000000, 0.0002737000000000 ] - [ -0.0011247300000000, 0.0003291200000000, 0.0001397400000000 ] - [ 0.0005781600000000, -0.0000224400000000, -0.0008614400000000 ] - [ 0.0000829900000000, -0.0003375000000000, -0.0000731800000000 ] - [ 0.0003624900000000, 0.0003414500000000, 0.0002136000000000 ] - [ -0.0000392600000000, 0.0002349300000000, 0.0003410400000000 ] - [ -0.0068436900000000, 0.0040508500000000, -0.0010960400000000 ] - [ -0.0000469100000000, -0.0002276100000000, 0.0004127200000000 ] - [ 0.0002221400000000, 0.0004639500000000, 0.0000770800000000 ] - [ -0.0002229900000000, 0.0006346400000000, 0.0000772300000000 ] - [ 0.0000245200000000, -0.0005682700000000, -0.0006979900000000 ] - [ -0.0000001200000000, -0.0005483300000000, 0.0000598700000000 ] - [ -0.0000136100000000, -0.0002425400000000, -0.0003557300000000 ] - [ -0.0000141100000000, -0.0002420300000000, 0.0001732000000000 ] - [ -0.0000043600000000, 0.0002397800000000, 0.0000733600000000 ] - [ 0.0000319300000000, 0.0002442400000000, 0.0000731100000000 ] - [ 0.0000134200000000, -0.0002427800000000, -0.0003151400000000 ] - [ 0.0000140300000000, -0.0002419600000000, 0.0001653500000000 ] - [ 0.0000690400000000, 0.0001765800000000, 0.0001457100000000 ] - [ -0.0000961800000000, 0.0003075800000000, 0.0001458800000000 ] - [ 0.0005603700000000, 0.0009343600000000, 0.0004040300000000 ] - [ -0.0000133000000000, 0.0004536400000000, 0.0003855600000000 ] - [ -0.0003990000000000, 0.0000375600000000, 0.0000640100000000 ] - [ 0.0000134800000000, -0.0004579000000000, 0.0003846200000000 ] - [ -0.0005594800000000, -0.0001645400000000, 0.0000619000000000 ] - [ 0.0000133500000000, 0.0003167000000000, 0.0000409300000000 ] - [ -0.0000133700000000, -0.0003124100000000, 0.0000398600000000 ] - [ 0.0003973500000000, -0.0008062000000000, -0.0002798300000000 ] - [ 0.0000169000000000, 0.0007382700000000, 0.0001114300000000 ] - [ -0.0000171100000000, 0.0008173600000000, 0.0001111000000000 ] - [ 0.0000152800000000, -0.0007894000000000, 0.0005650200000000 ] - [ 0.0000000100000000, -0.0007777600000000, 0.0001800100000000 ] - [ 0.0001707700000000, -0.0004797500000000, -0.0000782800000000 ] - [ 0.0000657100000000, -0.0002498200000000, 0.0003830400000000 ] - [ -0.0000529400000000, 0.0002223800000000, 0.0004328400000000 ] - [ -0.0000772200000000, 0.0002638300000000, 0.0003326800000000 ] - [ -0.0001605400000000, -0.0000592800000000, -0.0004432100000000 ] - [ -0.0000885400000000, -0.0003280200000000, -0.0000907500000000 ] - [ 0.0000709300000000, 0.0003066000000000, -0.0001510800000000 ] - [ 0.0000777200000000, 0.0002923100000000, -0.0001279700000000 ] - [ -0.0000771600000000, 0.0003104400000000, -0.0001414400000000 ] - [ -0.0001018300000000, 0.0003517300000000, -0.0000420300000000 ] - [ -0.0000177900000000, -0.0000963500000000, -0.0005537900000000 ] - [ 0.0000885400000000, -0.0003242100000000, -0.0000912000000000 ] - [ 0.0000764200000000, 0.0002818400000000, 0.0003469700000000 ] - [ 0.0000833500000000, 0.0002677500000000, 0.0003228900000000 ] - [ 0.0000101500000000, -0.0005214000000000, 0.0000354200000000 ] - [ -0.0000657800000000, -0.0002460500000000, 0.0003833600000000 ] - [ 0.0000137200000000, 0.0005469000000000, 0.0000454700000000 ] - [ -0.0000140200000000, 0.0005498200000000, 0.0000452500000000 ] - [ -0.0000005000000000, -0.0005489000000000, -0.0001393100000000 ] - [ -0.0000000300000000, -0.0005483800000000, 0.0000633900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001035000000000, 0.0001769800000000, -0.0000091100000000 ] - [ 0.0000533000000000, 0.0002537400000000, -0.0000257600000000 ] - [ 0.0022859600000000, 0.0010326900000000, -0.0004706100000000 ] - [ 0.0001096900000000, -0.0001567300000000, -0.0000355300000000 ] - [ 0.0001157500000000, 0.0001729100000000, 0.0000097100000000 ] - [ 0.0002724000000000, 0.0000959300000000, 0.0000253500000000 ] - [ 0.0019950200000000, -0.0013293500000000, 0.0003971800000000 ] - [ -0.0001115200000000, -0.0001921100000000, 0.0000374600000000 ] - [ -0.0000700100000000, 0.0000053600000000, -0.0000517500000000 ] - [ -0.0001265800000000, -0.0000671500000000, 0.0001845300000000 ] - [ 0.0000282800000000, -0.0000006700000000, -0.0000111000000000 ] - [ -0.0002242200000000, -0.0000958500000000, 0.0001144100000000 ] - [ 0.0000003900000000, -0.0000056400000000, 0.0000518300000000 ] - [ -0.0000554300000000, 0.0000671800000000, -0.0001835900000000 ] - [ -0.0000425100000000, 0.0000007300000000, 0.0000119800000000 ] - [ -0.0002958100000000, 0.0000959200000000, -0.0001163000000000 ] - [ -0.0001158900000000, 0.0001688700000000, 0.0000083300000000 ] - [ -0.0004359800000000, 0.0002239000000000, -0.0002112300000000 ] - [ 0.0000365000000000, -0.0002178000000000, 0.0000100000000000 ] - [ 0.0001014100000000, -0.0001771500000000, 0.0000156500000000 ] - [ 0.0001038100000000, 0.0001813700000000, -0.0000074500000000 ] - [ -0.0002178600000000, 0.0001236900000000, 0.0002103100000000 ] - [ -0.0001829700000000, -0.0001324900000000, -0.0000103800000000 ] - [ -0.0001176600000000, -0.0001728100000000, -0.0000152000000000 ] - [ 0.0000387900000000, -0.0000383300000000, 0.0000771100000000 ] - [ 0.0000487800000000, -0.0000019900000000, -0.0000690900000000 ] - [ 0.0000405600000000, 0.0000003100000000, -0.0000064400000000 ] - [ 0.0034830000000000, 0.0024555000000000, -0.0019533600000000 ] - [ 0.0001110900000000, 0.0000395400000000, -0.0000765600000000 ] - [ 0.0001169400000000, 0.0000000200000000, 0.0000693800000000 ] - [ -0.0000306100000000, -0.0000001000000000, 0.0000073500000000 ] - [ 0.0034847300000000, -0.0025736400000000, 0.0020045100000000 ] - [ -0.0003839700000000, -0.0004003500000000, 0.0000395800000000 ] - [ 0.0014751100000000, -0.0015794000000000, -0.0032174200000000 ] - [ 0.0008808900000000, 0.0004743000000000, -0.0001650600000000 ] - [ 0.0004349400000000, 0.0003475900000000, 0.0000341900000000 ] - [ 0.0004250200000000, -0.0003333400000000, -0.0000364300000000 ] - [ 0.0022924500000000, 0.0008613600000000, 0.0032221900000000 ] - [ 0.0000742200000000, 0.0002581700000000, 0.0001643700000000 ] - [ -0.0003741200000000, 0.0003851500000000, -0.0000330400000000 ] - [ 0.0000332800000000, -0.0002666600000000, -0.0000029000000000 ] - [ 0.0133838700000000, -0.0003910700000000, -0.0001983500000000 ] - [ 0.0001124100000000, 0.0002661700000000, -0.0000032000000000 ] - [ 0.0000691400000000, 0.0002662000000000, -0.0000050600000000 ] - [ 0.0000708200000000, -0.0002699100000000, 0.0000062000000000 ] - [ 0.0000189400000000, -0.0002513200000000, 0.0000110900000000 ] - [ 0.0002414700000000, 0.0002664500000000, 0.0000015900000000 ] - [ 0.0000278000000000, 0.0002661300000000, 0.0000060000000000 ] - [ -0.0004127900000000, -0.0003370000000000, -0.0000240400000000 ] - [ -0.0010758000000000, -0.0005948900000000, -0.0001417600000000 ] - [ -0.0000798600000000, 0.0006818800000000, 0.0003889300000000 ] - [ 0.0003972700000000, 0.0004013600000000, -0.0000287700000000 ] - [ 0.0003963200000000, -0.0003946700000000, 0.0000245800000000 ] - [ -0.0002672500000000, -0.0001366100000000, 0.0001419900000000 ] - [ -0.0008934400000000, 0.0000592000000000, -0.0003847200000000 ] - [ -0.0004126900000000, 0.0003315000000000, 0.0000298600000000 ] - [ -0.0000200900000000, -0.0002659400000000, -0.0000047500000000 ] - [ -0.0002399500000000, -0.0002657300000000, -0.0000062000000000 ] - [ -0.0004071900000000, 0.0002657300000000, -0.0000047600000000 ] - [ -0.0000582000000000, 0.0002664600000000, -0.0000051300000000 ] - [ -0.0000504100000000, -0.0002659800000000, 0.0000058100000000 ] - [ -0.0003387700000000, -0.0002659000000000, 0.0000061100000000 ] - [ -0.0013067500000000, 0.0002596100000000, 0.0000034500000000 ] - [ -0.0000253300000000, 0.0002662500000000, 0.0000058500000000 ] - [ -0.0000282900000000, 0.0001568300000000, -0.0001488300000000 ] - [ -0.0000191200000000, -0.0002216400000000, 0.0000371000000000 ] - [ 0.0000117100000000, 0.0002350000000000, 0.0000151100000000 ] - [ 0.0002753600000000, -0.0008243100000000, -0.0011857100000000 ] - [ -0.0000019700000000, -0.0006407200000000, 0.0001499900000000 ] - [ 0.0000076500000000, -0.0002645400000000, -0.0000382100000000 ] - [ -0.0000142200000000, 0.0002518800000000, -0.0000163100000000 ] - [ 0.0002516800000000, 0.0013073600000000, 0.0011853200000000 ] - [ -0.0243217100000000, 0.0005501900000000, 0.0003837200000000 ] - [ -0.0000272500000000, 0.0003839600000000, 0.0001675000000000 ] - [ -0.0000517400000000, -0.0003851300000000, 0.0001714300000000 ] - [ -0.0000517900000000, -0.0003846500000000, 0.0001714900000000 ] - [ -0.0010200500000000, 0.0003895500000000, -0.0001623200000000 ] - [ -0.0000444900000000, 0.0003838500000000, -0.0001782800000000 ] - [ -0.0000092100000000, -0.0003851500000000, -0.0001720600000000 ] - [ -0.0004124600000000, -0.0003834300000000, -0.0001694200000000 ] - [ 0.0000320100000000, 0.0007806400000000, -0.0000040500000000 ] - [ -0.0005143600000000, 0.0007594200000000, -0.0000209900000000 ] - [ -0.0000555600000000, -0.0007787400000000, -0.0000001200000000 ] - [ -0.0000250900000000, -0.0007791700000000, -0.0000001900000000 ] - [ -0.0000981400000000, -0.0003360900000000, 0.0002248500000000 ] - [ 0.0000634900000000, -0.0002878200000000, 0.0002219000000000 ] - [ -0.0000939600000000, 0.0003293600000000, 0.0002018600000000 ] - [ -0.0005333400000000, -0.0000064600000000, 0.0007110900000000 ] - [ -0.0002428300000000, -0.0003127500000000, -0.0002162800000000 ] - [ -0.0001296100000000, -0.0002961800000000, -0.0002625100000000 ] - [ 0.0000680300000000, 0.0002876000000000, -0.0002223700000000 ] - [ -0.0011666000000000, -0.0035864800000000, -0.0062128400000000 ] - [ -0.0000873500000000, 0.0002857200000000, -0.0002522300000000 ] - [ -0.0013174700000000, 0.0041722900000000, 0.0057425200000000 ] - [ -0.0000870000000000, -0.0002620500000000, -0.0002557900000000 ] - [ 0.0000266100000000, -0.0002768300000000, -0.0002101600000000 ] - [ 0.0000616000000000, 0.0002458500000000, 0.0002679400000000 ] - [ -0.0003754800000000, 0.0005750500000000, -0.0002377500000000 ] - [ -0.0002533100000000, -0.0002369500000000, 0.0002500700000000 ] - [ -0.0000926200000000, -0.0002855500000000, 0.0002505600000000 ] - [ -0.0000208600000000, 0.0005479700000000, -0.0000000300000000 ] - [ -0.0012407700000000, 0.0005494900000000, 0.0000020700000000 ] - [ -0.0005041000000000, -0.0005498700000000, -0.0000002000000000 ] - [ -0.0000539300000000, -0.0005477300000000, -0.0000001900000000 ] - [ 0.0003965500000000, 0.0002012800000000, 0.0005604500000000 ] - [ -0.0000101200000000, -0.0002455300000000, -0.0000135700000000 ] - [ 0.0000089000000000, 0.0002378300000000, -0.0000136800000000 ] - [ 0.0005279800000000, -0.0000686200000000, 0.0003996100000000 ] - [ 0.0004159700000000, -0.0006858400000000, -0.0005597400000000 ] - [ 0.0000160400000000, -0.0002401500000000, 0.0000127900000000 ] - [ -0.0000176900000000, 0.0002478800000000, 0.0000132200000000 ] - [ 0.0004996300000000, 0.0005539100000000, -0.0003967300000000 ] - [ 0.0001340400000000, 0.0003852000000000, 0.0001719000000000 ] - [ 0.0000077200000000, 0.0003847900000000, 0.0001708900000000 ] - [ 0.0000937900000000, -0.0003850100000000, 0.0001714200000000 ] - [ 0.0000936400000000, -0.0003849300000000, 0.0001715200000000 ] - [ 0.0000450100000000, 0.0003850300000000, -0.0001714600000000 ] - [ 0.0001579800000000, 0.0003848800000000, -0.0001715600000000 ] - [ 0.0000091700000000, -0.0003852100000000, -0.0001719000000000 ] - [ 0.0003966900000000, -0.0003840500000000, -0.0001703400000000 ] - [ 0.0000233400000000, 0.0007790300000000, -0.0000002700000000 ] - [ 0.0002762200000000, 0.0007785000000000, 0.0000002200000000 ] - [ 0.0001836100000000, -0.0007779000000000, -0.0000002200000000 ] - [ 0.0000192700000000, -0.0007789000000000, -0.0000000800000000 ] - [ 0.0011970100000000, 0.0001347000000000, 0.0001130800000000 ] - [ 0.0000880400000000, -0.0002861300000000, 0.0002511600000000 ] - [ -0.0000422200000000, 0.0002807100000000, 0.0002289000000000 ] - [ 0.0001718300000000, 0.0003531900000000, 0.0002604400000000 ] - [ 0.0001617600000000, -0.0003264300000000, -0.0001146700000000 ] - [ -0.0000335300000000, -0.0002845500000000, -0.0002361400000000 ] - [ 0.0000866100000000, 0.0002870800000000, -0.0002509900000000 ] - [ 0.0002882400000000, 0.0002161900000000, -0.0002199900000000 ] - [ -0.0000692300000000, 0.0002857800000000, -0.0002225700000000 ] - [ 0.0001326200000000, 0.0003568600000000, -0.0002527800000000 ] - [ 0.0003180100000000, -0.0002470100000000, -0.0003582100000000 ] - [ 0.0001226400000000, -0.0002886500000000, -0.0002365500000000 ] - [ 0.0001140900000000, 0.0002922500000000, 0.0002431900000000 ] - [ 0.0003281800000000, 0.0002194700000000, 0.0002119500000000 ] - [ 0.0010413800000000, -0.0007034800000000, 0.0003601700000000 ] - [ -0.0000676300000000, -0.0002872300000000, 0.0002215400000000 ] - [ 0.0000269600000000, 0.0005474600000000, 0.0000002000000000 ] - [ 0.0002350100000000, 0.0005477400000000, 0.0000002800000000 ] - [ 0.0004088800000000, -0.0005498100000000, -0.0000006500000000 ] - [ 0.0000269500000000, -0.0005476700000000, -0.0000003400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001020400000000, 0.0001670500000000, -0.0000297000000000 ] - [ -0.0004066000000000, -0.0002889100000000, 0.0002611900000000 ] - [ 0.0018245900000000, 0.0015232200000000, -0.0007483200000000 ] - [ 0.0001191000000000, -0.0001215500000000, -0.0001433900000000 ] - [ 0.0001020400000000, 0.0001670500000000, -0.0000297000000000 ] - [ 0.0004066000000000, -0.0002889100000000, 0.0002611900000000 ] - [ -0.0018245900000000, 0.0015232200000000, -0.0007483200000000 ] - [ -0.0001191000000000, -0.0001215500000000, -0.0001433900000000 ] - [ -0.0000106800000000, 0.0000317900000000, 0.0000822000000000 ] - [ 0.0000779500000000, 0.0000811800000000, -0.0002934100000000 ] - [ 0.0000350700000000, -0.0000045500000000, -0.0000780600000000 ] - [ -0.0002675100000000, -0.0001538400000000, 0.0003501500000000 ] - [ 0.0000106800000000, 0.0000317900000000, 0.0000822000000000 ] - [ -0.0000779500000000, 0.0000811800000000, -0.0002934100000000 ] - [ -0.0000350700000000, -0.0000045500000000, -0.0000780600000000 ] - [ 0.0002675100000000, -0.0001538400000000, 0.0003501500000000 ] - [ -0.0000786300000000, 0.0001799200000000, -0.0000639800000000 ] - [ -0.0004282400000000, 0.0005962800000000, -0.0001376200000000 ] - [ 0.0000621900000000, -0.0004179600000000, 0.0000536300000000 ] - [ 0.0001240900000000, -0.0002000700000000, -0.0000685600000000 ] - [ 0.0000786300000000, 0.0001799200000000, -0.0000639800000000 ] - [ 0.0004282400000000, 0.0005962800000000, -0.0001376200000000 ] - [ -0.0000621900000000, -0.0004179600000000, 0.0000536300000000 ] - [ -0.0001240900000000, -0.0002000700000000, -0.0000685600000000 ] - [ -0.0000150000000000, -0.0000846500000000, -0.0001742400000000 ] - [ -0.0001012200000000, 0.0000220100000000, 0.0000564000000000 ] - [ 0.0000184700000000, -0.0000386600000000, -0.0000676300000000 ] - [ 0.0022310500000000, 0.0027674800000000, -0.0014787500000000 ] - [ 0.0000150000000000, -0.0000846500000000, -0.0001742400000000 ] - [ 0.0001012200000000, 0.0000220100000000, 0.0000564000000000 ] - [ -0.0000184700000000, -0.0000386600000000, -0.0000676300000000 ] - [ -0.0022310500000000, 0.0027674800000000, -0.0014787500000000 ] - [ -0.0004404000000000, -0.0002825700000000, -0.0001773900000000 ] - [ 0.0014208000000000, -0.0014297000000000, -0.0030135400000000 ] - [ 0.0012353500000000, -0.0001708200000000, -0.0002271400000000 ] - [ 0.0004558700000000, 0.0003712100000000, -0.0001596600000000 ] - [ 0.0004404000000000, -0.0002825700000000, -0.0001773900000000 ] - [ -0.0014208000000000, -0.0014297000000000, -0.0030135400000000 ] - [ -0.0012353500000000, -0.0001708200000000, -0.0002271400000000 ] - [ -0.0004558700000000, 0.0003712100000000, -0.0001596600000000 ] - [ 0.0000000000000000, 0.0000945400000000, -0.0002472100000000 ] - [ 0.0000000000000000, 0.0478354300000000, 0.0521609500000000 ] - [ 0.0000000000000000, -0.0002961000000000, -0.0004009400000000 ] - [ 0.0000000000000000, -0.0000691900000000, 0.0000518500000000 ] - [ 0.0000000000000000, 0.0007509300000000, -0.0001362400000000 ] - [ 0.0000000000000000, 0.0012541800000000, 0.0004968500000000 ] - [ 0.0000000000000000, -0.0010290100000000, -0.0015428500000000 ] - [ 0.0000000000000000, 0.0001736800000000, -0.0001375600000000 ] - [ -0.0004219300000000, -0.0003827800000000, -0.0000818500000000 ] - [ -0.0007021700000000, -0.0007586900000000, 0.0000672500000000 ] - [ 0.0010229700000000, 0.0010802800000000, 0.0002215800000000 ] - [ 0.0003994300000000, 0.0003563300000000, -0.0001212800000000 ] - [ 0.0004219300000000, -0.0003827800000000, -0.0000818500000000 ] - [ 0.0007021700000000, -0.0007586900000000, 0.0000672500000000 ] - [ -0.0010229700000000, 0.0010802800000000, 0.0002215800000000 ] - [ -0.0003994300000000, 0.0003563300000000, -0.0001212800000000 ] - [ 0.0000000000000000, -0.0003219500000000, -0.0001320500000000 ] - [ 0.0000000000000000, -0.0007761600000000, 0.0004489600000000 ] - [ 0.0000000000000000, 0.0005731900000000, 0.0001310000000000 ] - [ 0.0000000000000000, 0.0003706100000000, -0.0002524700000000 ] - [ 0.0000000000000000, -0.0004008700000000, 0.0000681200000000 ] - [ 0.0000000000000000, -0.0005593000000000, -0.0003318200000000 ] - [ 0.0000000000000000, 0.0009140000000000, 0.0004252800000000 ] - [ 0.0000000000000000, 0.0002903600000000, -0.0001261700000000 ] - [ 0.0000795000000000, 0.0000321700000000, -0.0001593200000000 ] - [ -0.0000080700000000, -0.0002232600000000, 0.0001274400000000 ] - [ 0.0000447300000000, 0.0001692000000000, 0.0000765200000000 ] - [ -0.0004894700000000, 0.0016100400000000, 0.0012474700000000 ] - [ -0.0000795000000000, 0.0000321700000000, -0.0001593200000000 ] - [ 0.0000080700000000, -0.0002232600000000, 0.0001274400000000 ] - [ -0.0000447300000000, 0.0001692000000000, 0.0000765200000000 ] - [ 0.0004894700000000, 0.0016100400000000, 0.0012474700000000 ] - [ 0.0000000000000000, -0.0656934800000000, -0.0568050400000000 ] - [ 0.0000000000000000, 0.0003710100000000, 0.0004410800000000 ] - [ 0.0000000000000000, -0.0002141100000000, 0.0002652000000000 ] - [ 0.0000000000000000, -0.0002141100000000, 0.0000882100000000 ] - [ 0.0000000000000000, -0.0011732400000000, 0.0001511000000000 ] - [ 0.0000000000000000, 0.0000411100000000, -0.0002907800000000 ] - [ 0.0000000000000000, -0.0003174300000000, -0.0000652500000000 ] - [ 0.0000000000000000, 0.0023346800000000, -0.0001900700000000 ] - [ 0.0000000000000000, 0.0004008700000000, 0.0005648800000000 ] - [ 0.0000000000000000, -0.0014561700000000, -0.0012531300000000 ] - [ 0.0000000000000000, -0.0005918700000000, 0.0001922000000000 ] - [ 0.0000000000000000, -0.0006603000000000, 0.0000658300000000 ] - [ 0.0001276500000000, 0.0001220800000000, 0.0005450700000000 ] - [ 0.0000706200000000, -0.0002374300000000, 0.0003468500000000 ] - [ -0.0001034400000000, 0.0001616300000000, 0.0004014900000000 ] - [ -0.0005122600000000, -0.0002280400000000, 0.0008029300000000 ] - [ 0.0000310200000000, 0.0002039500000000, -0.0003600200000000 ] - [ -0.0000981200000000, -0.0002914600000000, -0.0002033900000000 ] - [ 0.0001158000000000, 0.0002387400000000, -0.0001728900000000 ] - [ 0.0001336800000000, 0.0038260300000000, 0.0060946800000000 ] - [ -0.0001158000000000, 0.0002387400000000, -0.0001728900000000 ] - [ -0.0001336800000000, 0.0038260300000000, 0.0060946800000000 ] - [ -0.0000310200000000, 0.0002039500000000, -0.0003600200000000 ] - [ 0.0000981200000000, -0.0002914600000000, -0.0002033900000000 ] - [ 0.0001034400000000, 0.0001616300000000, 0.0004014900000000 ] - [ 0.0005122600000000, -0.0002280400000000, 0.0008029300000000 ] - [ -0.0001276500000000, 0.0001220800000000, 0.0005450700000000 ] - [ -0.0000706200000000, -0.0002374300000000, 0.0003468500000000 ] - [ 0.0000000000000000, 0.0004926400000000, 0.0000390800000000 ] - [ 0.0000000000000000, 0.0008086700000000, 0.0004776200000000 ] - [ 0.0000000000000000, 0.0006303700000000, 0.0002882000000000 ] - [ 0.0000000000000000, -0.0005246800000000, 0.0000409400000000 ] - [ 0.0008711700000000, 0.0000696200000000, 0.0005477900000000 ] - [ -0.0000074900000000, -0.0002475500000000, 0.0000683800000000 ] - [ 0.0000052800000000, 0.0002696500000000, 0.0000728200000000 ] - [ -0.0003566000000000, 0.0002962800000000, -0.0004214800000000 ] - [ -0.0008711700000000, 0.0000696200000000, 0.0005477900000000 ] - [ 0.0000074900000000, -0.0002475500000000, 0.0000683800000000 ] - [ -0.0000052800000000, 0.0002696500000000, 0.0000728200000000 ] - [ 0.0003566000000000, 0.0002962800000000, -0.0004214800000000 ] - [ 0.0000000000000000, 0.0005386900000000, 0.0000310500000000 ] - [ 0.0000000000000000, 0.0004393500000000, 0.0002785200000000 ] - [ 0.0000000000000000, -0.0005198700000000, 0.0002093100000000 ] - [ 0.0000000000000000, -0.0005201500000000, 0.0003349600000000 ] - [ 0.0000000000000000, 0.0004722700000000, -0.0002120700000000 ] - [ 0.0000000000000000, 0.0005154300000000, -0.0001044700000000 ] - [ 0.0000000000000000, -0.0003622600000000, -0.0000716700000000 ] - [ 0.0000000000000000, -0.0007054000000000, -0.0005410200000000 ] - [ 0.0000000000000000, 0.0008274000000000, 0.0000548000000000 ] - [ 0.0000000000000000, 0.0011927100000000, -0.0002387200000000 ] - [ 0.0000000000000000, -0.0010098800000000, -0.0000907200000000 ] - [ 0.0000000000000000, -0.0008223600000000, 0.0000816400000000 ] - [ 0.0000097300000000, -0.0006171700000000, 0.0000282300000000 ] - [ 0.0000693400000000, -0.0002797200000000, 0.0002884900000000 ] - [ -0.0000463800000000, 0.0002815500000000, 0.0002434100000000 ] - [ 0.0000123800000000, 0.0004968800000000, 0.0002053900000000 ] - [ 0.0000328700000000, -0.0004570800000000, -0.0002671400000000 ] - [ -0.0000663500000000, -0.0003122100000000, -0.0001384600000000 ] - [ 0.0000705700000000, 0.0003188800000000, -0.0001622600000000 ] - [ -0.0000337700000000, 0.0004793100000000, -0.0003283600000000 ] - [ -0.0000705700000000, 0.0003188800000000, -0.0001622600000000 ] - [ 0.0000337700000000, 0.0004793100000000, -0.0003283600000000 ] - [ -0.0000328700000000, -0.0004570800000000, -0.0002671400000000 ] - [ 0.0000663500000000, -0.0003122100000000, -0.0001384600000000 ] - [ 0.0000463800000000, 0.0002815500000000, 0.0002434100000000 ] - [ -0.0000123800000000, 0.0004968800000000, 0.0002053900000000 ] - [ -0.0000097300000000, -0.0006171700000000, 0.0000282300000000 ] - [ -0.0000693400000000, -0.0002797200000000, 0.0002884900000000 ] - [ 0.0000000000000000, 0.0005693900000000, 0.0000171500000000 ] - [ 0.0000000000000000, 0.0006741500000000, -0.0000464800000000 ] - [ 0.0000000000000000, -0.0008194400000000, -0.0000427400000000 ] - [ 0.0000000000000000, -0.0005565400000000, 0.0000316100000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001177900000000, 0.0001821900000000, 0.0000299300000000 ] - [ 0.0001876900000000, 0.0006380700000000, -0.0002621100000000 ] - [ -0.0015790400000000, -0.0018831700000000, 0.0007267300000000 ] - [ 0.0001016400000000, -0.0002268200000000, 0.0001438800000000 ] - [ 0.0001177900000000, 0.0001821900000000, 0.0000299300000000 ] - [ -0.0001876900000000, 0.0006380700000000, -0.0002621100000000 ] - [ 0.0015790400000000, -0.0018831700000000, 0.0007267300000000 ] - [ -0.0001016400000000, -0.0002268200000000, 0.0001438800000000 ] - [ -0.0000592900000000, -0.0000315700000000, -0.0000826300000000 ] - [ -0.0001482500000000, -0.0000808500000000, 0.0002933100000000 ] - [ 0.0000352200000000, 0.0000048600000000, 0.0000782800000000 ] - [ 0.0003371100000000, 0.0001539600000000, -0.0003496000000000 ] - [ 0.0000592900000000, -0.0000315700000000, -0.0000826300000000 ] - [ 0.0001482500000000, -0.0000808500000000, 0.0002933100000000 ] - [ -0.0000352200000000, 0.0000048600000000, 0.0000782800000000 ] - [ -0.0003371100000000, 0.0001539600000000, -0.0003496000000000 ] - [ -0.0001412600000000, 0.0001696000000000, 0.0000641700000000 ] - [ 0.0002081700000000, -0.0002455800000000, 0.0001374300000000 ] - [ 0.0001578200000000, 0.0000697300000000, -0.0000537200000000 ] - [ 0.0000955900000000, -0.0001489500000000, 0.0000685500000000 ] - [ 0.0001412600000000, 0.0001696000000000, 0.0000641700000000 ] - [ -0.0002081700000000, -0.0002455800000000, 0.0001374300000000 ] - [ -0.0001578200000000, 0.0000697300000000, -0.0000537200000000 ] - [ -0.0000955900000000, -0.0001489500000000, 0.0000685500000000 ] - [ -0.0000546100000000, 0.0000846800000000, 0.0001756900000000 ] - [ 0.0000320500000000, -0.0000229900000000, -0.0000561800000000 ] - [ 0.0000515400000000, 0.0000387700000000, 0.0000678800000000 ] - [ -0.0022856300000000, -0.0028630100000000, 0.0015364500000000 ] - [ 0.0000546100000000, 0.0000846800000000, 0.0001756900000000 ] - [ -0.0000320500000000, -0.0000229900000000, -0.0000561800000000 ] - [ -0.0000515400000000, 0.0000387700000000, 0.0000678800000000 ] - [ 0.0022856300000000, -0.0028630100000000, 0.0015364500000000 ] - [ -0.0003687100000000, -0.0004499100000000, 0.0001792100000000 ] - [ -0.0022187800000000, 0.0006961100000000, 0.0030145400000000 ] - [ -0.0004264400000000, 0.0009080700000000, 0.0002276100000000 ] - [ 0.0003537900000000, 0.0003617400000000, 0.0001596700000000 ] - [ 0.0003687100000000, -0.0004499100000000, 0.0001792100000000 ] - [ 0.0022187800000000, 0.0006961100000000, 0.0030145400000000 ] - [ 0.0004264400000000, 0.0009080700000000, 0.0002276100000000 ] - [ -0.0003537900000000, 0.0003617400000000, 0.0001596700000000 ] - [ 0.0000000000000000, -0.0006255600000000, 0.0002387800000000 ] - [ 0.0000000000000000, -0.0478194600000000, -0.0506407400000000 ] - [ 0.0000000000000000, 0.0008278300000000, 0.0003897800000000 ] - [ 0.0000000000000000, 0.0006015600000000, -0.0000629400000000 ] - [ 0.0000000000000000, -0.0012775900000000, 0.0001398400000000 ] - [ 0.0000000000000000, -0.0017585200000000, -0.0004756700000000 ] - [ 0.0000000000000000, 0.0015641900000000, 0.0015648800000000 ] - [ 0.0000000000000000, 0.0003583700000000, 0.0001480800000000 ] - [ -0.0003880300000000, -0.0003499900000000, 0.0000821200000000 ] - [ -0.0001079100000000, 0.0000257400000000, -0.0000672400000000 ] - [ -0.0002163000000000, -0.0003536300000000, -0.0002246700000000 ] - [ 0.0004105900000000, 0.0003766600000000, 0.0001214700000000 ] - [ 0.0003880300000000, -0.0003499900000000, 0.0000821200000000 ] - [ 0.0001079100000000, 0.0000257400000000, -0.0000672400000000 ] - [ 0.0002163000000000, -0.0003536300000000, -0.0002246700000000 ] - [ -0.0004105900000000, 0.0003766600000000, 0.0001214700000000 ] - [ 0.0000000000000000, -0.0002096600000000, 0.0001220300000000 ] - [ 0.0000000000000000, 0.0002450900000000, -0.0004592800000000 ] - [ 0.0000000000000000, -0.0000412300000000, -0.0001430900000000 ] - [ 0.0000000000000000, 0.0001619500000000, 0.0002413500000000 ] - [ 0.0000000000000000, -0.0001301500000000, -0.0000575600000000 ] - [ 0.0000000000000000, 0.0000275200000000, 0.0003428400000000 ] - [ 0.0000000000000000, -0.0003768300000000, -0.0004144300000000 ] - [ 0.0000000000000000, 0.0002418600000000, 0.0001367500000000 ] - [ -0.0001067200000000, -0.0005199600000000, 0.0001593300000000 ] - [ -0.0000190600000000, -0.0002618500000000, -0.0001276500000000 ] - [ -0.0000181200000000, 0.0003167300000000, -0.0000771100000000 ] - [ 0.0005119400000000, -0.0011170800000000, -0.0012440300000000 ] - [ 0.0001067200000000, -0.0005199600000000, 0.0001593300000000 ] - [ 0.0000190600000000, -0.0002618500000000, -0.0001276500000000 ] - [ 0.0000181200000000, 0.0003167300000000, -0.0000771100000000 ] - [ -0.0005119400000000, -0.0011170800000000, -0.0012440300000000 ] - [ 0.0000000000000000, 0.0660121000000000, 0.0554225300000000 ] - [ 0.0000000000000000, 0.0003980300000000, -0.0001026100000000 ] - [ 0.0000000000000000, -0.0005555400000000, 0.0000784700000000 ] - [ 0.0000000000000000, -0.0005555500000000, 0.0002564500000000 ] - [ 0.0000000000000000, 0.0019551200000000, -0.0004535700000000 ] - [ 0.0000000000000000, 0.0007250300000000, -0.0000579700000000 ] - [ 0.0000000000000000, -0.0004524400000000, -0.0002788400000000 ] - [ 0.0000000000000000, -0.0031251100000000, -0.0001521500000000 ] - [ 0.0000000000000000, 0.0011558700000000, -0.0005687300000000 ] - [ 0.0000000000000000, 0.0029759900000000, 0.0012147500000000 ] - [ 0.0000000000000000, -0.0009615800000000, -0.0001918600000000 ] - [ 0.0000000000000000, -0.0008965900000000, -0.0000653200000000 ] - [ 0.0000274400000000, -0.0006974200000000, -0.0000726900000000 ] - [ 0.0000845600000000, -0.0003359500000000, 0.0001269000000000 ] - [ -0.0000516200000000, 0.0004138800000000, 0.0000695300000000 ] - [ 0.0003547100000000, 0.0007979000000000, -0.0003267000000000 ] - [ -0.0001859000000000, -0.0007766500000000, -0.0001140500000000 ] - [ -0.0000573500000000, -0.0002819100000000, -0.0002697200000000 ] - [ 0.0000392100000000, 0.0003348800000000, -0.0003014000000000 ] - [ -0.0000072000000000, -0.0032105200000000, -0.0065097800000000 ] - [ -0.0000392100000000, 0.0003348800000000, -0.0003014000000000 ] - [ 0.0000072000000000, -0.0032105200000000, -0.0065097800000000 ] - [ 0.0001859000000000, -0.0007766500000000, -0.0001140500000000 ] - [ 0.0000573500000000, -0.0002819100000000, -0.0002697200000000 ] - [ 0.0000516200000000, 0.0004138800000000, 0.0000695300000000 ] - [ -0.0003547100000000, 0.0007979000000000, -0.0003267000000000 ] - [ -0.0000274400000000, -0.0006974200000000, -0.0000726900000000 ] - [ -0.0000845600000000, -0.0003359500000000, 0.0001269000000000 ] - [ 0.0000000000000000, 0.0006037900000000, -0.0000388300000000 ] - [ 0.0000000000000000, 0.0002844900000000, -0.0004784900000000 ] - [ 0.0000000000000000, -0.0017114300000000, -0.0002944900000000 ] - [ 0.0000000000000000, -0.0005717100000000, -0.0000410200000000 ] - [ -0.0009047200000000, -0.0005572000000000, -0.0005512100000000 ] - [ -0.0000194000000000, -0.0002371600000000, -0.0000687300000000 ] - [ 0.0000216400000000, 0.0002158400000000, -0.0000727300000000 ] - [ 0.0003842000000000, 0.0001898800000000, 0.0004220800000000 ] - [ 0.0009047200000000, -0.0005572000000000, -0.0005512100000000 ] - [ 0.0000194000000000, -0.0002371600000000, -0.0000687300000000 ] - [ -0.0000216400000000, 0.0002158400000000, -0.0000727300000000 ] - [ -0.0003842000000000, 0.0001898800000000, 0.0004220800000000 ] - [ 0.0000000000000000, 0.0002315600000000, 0.0003125100000000 ] - [ 0.0000000000000000, 0.0003308800000000, 0.0000647700000000 ] - [ 0.0000000000000000, -0.0002497400000000, 0.0001348400000000 ] - [ 0.0000000000000000, -0.0002498900000000, 0.0000093600000000 ] - [ 0.0000000000000000, 0.0002977000000000, -0.0001315500000000 ] - [ 0.0000000000000000, 0.0002551400000000, -0.0002394500000000 ] - [ 0.0000000000000000, -0.0004077400000000, -0.0002722700000000 ] - [ 0.0000000000000000, -0.0000650000000000, 0.0001967000000000 ] - [ 0.0000000000000000, 0.0007296400000000, -0.0000552300000000 ] - [ 0.0000000000000000, 0.0003638800000000, 0.0002386100000000 ] - [ 0.0000000000000000, -0.0005470200000000, 0.0000918900000000 ] - [ 0.0000000000000000, -0.0007344600000000, -0.0000817600000000 ] - [ 0.0001438600000000, 0.0000434700000000, 0.0004473300000000 ] - [ 0.0000856000000000, -0.0002937400000000, 0.0001852100000000 ] - [ -0.0001091100000000, 0.0002924400000000, 0.0002294900000000 ] - [ -0.0001676400000000, 0.0000772900000000, 0.0002676100000000 ] - [ -0.0001883700000000, -0.0001156600000000, -0.0002049300000000 ] - [ -0.0000890700000000, -0.0002612800000000, -0.0003343500000000 ] - [ 0.0000844100000000, 0.0002549800000000, -0.0003118800000000 ] - [ 0.0001885700000000, 0.0000948300000000, -0.0001455800000000 ] - [ -0.0000844100000000, 0.0002549800000000, -0.0003118800000000 ] - [ -0.0001885700000000, 0.0000948300000000, -0.0001455800000000 ] - [ 0.0001883700000000, -0.0001156600000000, -0.0002049300000000 ] - [ 0.0000890700000000, -0.0002612800000000, -0.0003343500000000 ] - [ 0.0001091100000000, 0.0002924400000000, 0.0002294900000000 ] - [ 0.0001676400000000, 0.0000772900000000, 0.0002676100000000 ] - [ -0.0001438600000000, 0.0000434700000000, 0.0004473300000000 ] - [ -0.0000856000000000, -0.0002937400000000, 0.0001852100000000 ] - [ 0.0000000000000000, 0.0005270700000000, -0.0000167800000000 ] - [ 0.0000000000000000, 0.0004227700000000, 0.0000470100000000 ] - [ 0.0000000000000000, -0.0002741300000000, 0.0000430900000000 ] - [ 0.0000000000000000, -0.0005393900000000, -0.0000320900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001051600000000, 0.0001871600000000, -0.0001887200000000 ] - [ -0.0002376600000000, -0.0000187000000000, 0.0002135000000000 ] - [ -0.0003258000000000, -0.0003154400000000, 0.0003576400000000 ] - [ -0.0001277000000000, -0.0002612200000000, -0.0003949800000000 ] - [ 0.0001051600000000, 0.0001871600000000, -0.0001887200000000 ] - [ 0.0002376600000000, -0.0000187000000000, 0.0002135000000000 ] - [ 0.0003258000000000, -0.0003154400000000, 0.0003576400000000 ] - [ 0.0001277000000000, -0.0002612200000000, -0.0003949800000000 ] - [ -0.0000865400000000, 0.0000235600000000, -0.0000466100000000 ] - [ 0.0001340900000000, -0.0000019300000000, -0.0002215200000000 ] - [ 0.0000411400000000, -0.0000222600000000, -0.0001943200000000 ] - [ -0.0001777800000000, -0.0000326500000000, 0.0004720500000000 ] - [ 0.0000865400000000, 0.0000235600000000, -0.0000466100000000 ] - [ -0.0001340900000000, -0.0000019300000000, -0.0002215200000000 ] - [ -0.0000411400000000, -0.0000222600000000, -0.0001943200000000 ] - [ 0.0001777800000000, -0.0000326500000000, 0.0004720500000000 ] - [ -0.0000408200000000, 0.0001713000000000, -0.0001839500000000 ] - [ -0.0005196400000000, 0.0002694700000000, 0.0001269100000000 ] - [ -0.0000536600000000, -0.0003703200000000, 0.0001897500000000 ] - [ 0.0001503000000000, -0.0001735500000000, -0.0001540900000000 ] - [ 0.0000408200000000, 0.0001713000000000, -0.0001839500000000 ] - [ 0.0005196400000000, 0.0002694700000000, 0.0001269100000000 ] - [ 0.0000536600000000, -0.0003703200000000, 0.0001897500000000 ] - [ -0.0001503000000000, -0.0001735500000000, -0.0001540900000000 ] - [ 0.0001264500000000, -0.0001790200000000, -0.0002286300000000 ] - [ -0.0003295800000000, 0.0003411400000000, -0.0001465400000000 ] - [ 0.0000330500000000, -0.0000375200000000, -0.0002015500000000 ] - [ -0.0024400200000000, -0.0021715100000000, 0.0024592600000000 ] - [ -0.0001264500000000, -0.0001790200000000, -0.0002286300000000 ] - [ 0.0003295800000000, 0.0003411400000000, -0.0001465400000000 ] - [ -0.0000330500000000, -0.0000375200000000, -0.0002015500000000 ] - [ 0.0024400200000000, -0.0021715100000000, 0.0024592600000000 ] - [ -0.0004103500000000, -0.0002215100000000, -0.0005157600000000 ] - [ 0.0002656000000000, -0.0008584500000000, -0.0009159000000000 ] - [ -0.0002996300000000, 0.0005931700000000, 0.0005406600000000 ] - [ 0.0004861400000000, 0.0003157900000000, -0.0003196800000000 ] - [ 0.0004103500000000, -0.0002215100000000, -0.0005157600000000 ] - [ -0.0002656000000000, -0.0008584500000000, -0.0009159000000000 ] - [ 0.0002996300000000, 0.0005931700000000, 0.0005406600000000 ] - [ -0.0004861400000000, 0.0003157900000000, -0.0003196800000000 ] - [ 0.0000000000000000, -0.0001107100000000, -0.0007270600000000 ] - [ 0.0000000000000000, 0.0521303700000000, 0.0857443100000000 ] - [ 0.0000000000000000, 0.0004337200000000, -0.0003515700000000 ] - [ 0.0000000000000000, 0.0001031300000000, -0.0002813400000000 ] - [ 0.0000000000000000, 0.0012484900000000, -0.0008310800000000 ] - [ 0.0000000000000000, -0.0045818700000000, -0.0021373800000000 ] - [ 0.0000000000000000, 0.0000837800000000, 0.0008626000000000 ] - [ 0.0000000000000000, 0.0001736500000000, -0.0003903600000000 ] - [ -0.0004419800000000, -0.0004160900000000, -0.0002661500000000 ] - [ -0.0000549300000000, 0.0000132900000000, 0.0002960700000000 ] - [ 0.0010862000000000, 0.0010182300000000, 0.0001846700000000 ] - [ 0.0003513800000000, 0.0003209200000000, -0.0003091500000000 ] - [ 0.0004419800000000, -0.0004160900000000, -0.0002661500000000 ] - [ 0.0000549300000000, 0.0000132900000000, 0.0002960700000000 ] - [ -0.0010862000000000, 0.0010182300000000, 0.0001846700000000 ] - [ -0.0003513800000000, 0.0003209200000000, -0.0003091500000000 ] - [ 0.0000000000000000, -0.0003376900000000, -0.0003291500000000 ] - [ 0.0000000000000000, -0.0003324900000000, 0.0005520200000000 ] - [ 0.0000000000000000, 0.0007543000000000, 0.0000271200000000 ] - [ 0.0000000000000000, 0.0000868700000000, -0.0002276700000000 ] - [ 0.0000000000000000, -0.0004496000000000, -0.0001124100000000 ] - [ 0.0000000000000000, -0.0002070700000000, -0.0000877000000000 ] - [ 0.0000000000000000, 0.0011910100000000, 0.0005052200000000 ] - [ 0.0000000000000000, 0.0001950300000000, -0.0003287700000000 ] - [ -0.0001882300000000, -0.0005331500000000, -0.0002820200000000 ] - [ 0.0000162600000000, -0.0001921800000000, 0.0002614000000000 ] - [ 0.0000717500000000, 0.0001585800000000, 0.0002563000000000 ] - [ -0.0004049000000000, 0.0010278900000000, 0.0004058000000000 ] - [ 0.0001882300000000, -0.0005331500000000, -0.0002820200000000 ] - [ -0.0000162600000000, -0.0001921800000000, 0.0002614000000000 ] - [ -0.0000717500000000, 0.0001585800000000, 0.0002563000000000 ] - [ 0.0004049000000000, 0.0010278900000000, 0.0004058000000000 ] - [ 0.0000000000000000, -0.0570250300000000, -0.1082737600000000 ] - [ 0.0000000000000000, 0.0006588800000000, 0.0009794000000000 ] - [ 0.0000000000000000, -0.0003012500000000, 0.0002974000000000 ] - [ 0.0000000000000000, -0.0004791300000000, 0.0002963600000000 ] - [ 0.0000000000000000, 0.0000656800000000, 0.0046596400000000 ] - [ 0.0000000000000000, 0.0005030600000000, 0.0024548600000000 ] - [ 0.0000000000000000, -0.0002787200000000, 0.0001303200000000 ] - [ 0.0000000000000000, -0.0003936000000000, -0.0010614700000000 ] - [ 0.0000000000000000, 0.0002924000000000, 0.0010237900000000 ] - [ 0.0000000000000000, 0.0073727400000000, 0.0079462000000000 ] - [ 0.0000000000000000, -0.0009303900000000, -0.0000993600000000 ] - [ 0.0000000000000000, -0.0006924700000000, 0.0002209700000000 ] - [ 0.0002604600000000, -0.0004143500000000, -0.0001230900000000 ] - [ 0.0000390900000000, -0.0002021500000000, 0.0004483800000000 ] - [ -0.0001173400000000, 0.0000777600000000, 0.0005915800000000 ] - [ 0.0002480300000000, 0.0010146700000000, 0.0001873800000000 ] - [ -0.0003305200000000, -0.0003839800000000, -0.0001569800000000 ] - [ -0.0000895000000000, -0.0003044200000000, -0.0000906800000000 ] - [ 0.0001433600000000, 0.0002853600000000, 0.0000357000000000 ] - [ -0.0001493200000000, 0.0024576300000000, 0.0021548400000000 ] - [ -0.0001433600000000, 0.0002853600000000, 0.0000357000000000 ] - [ 0.0001493200000000, 0.0024576300000000, 0.0021548400000000 ] - [ 0.0003305200000000, -0.0003839800000000, -0.0001569800000000 ] - [ 0.0000895000000000, -0.0003044200000000, -0.0000906800000000 ] - [ 0.0001173400000000, 0.0000777600000000, 0.0005915800000000 ] - [ -0.0002480300000000, 0.0010146700000000, 0.0001873800000000 ] - [ -0.0002604600000000, -0.0004143500000000, -0.0001230900000000 ] - [ -0.0000390900000000, -0.0002021500000000, 0.0004483800000000 ] - [ 0.0000000000000000, 0.0004730100000000, 0.0001136000000000 ] - [ 0.0000000000000000, 0.0007739500000000, 0.0001128700000000 ] - [ 0.0000000000000000, -0.0009644800000000, -0.0004542300000000 ] - [ 0.0000000000000000, -0.0005119700000000, 0.0000215000000000 ] - [ 0.0009396300000000, 0.0002524500000000, 0.0002348000000000 ] - [ -0.0001001400000000, -0.0002811600000000, 0.0002134800000000 ] - [ -0.0000166600000000, 0.0002788400000000, 0.0002126100000000 ] - [ 0.0000799300000000, 0.0000588200000000, -0.0001097800000000 ] - [ -0.0009396300000000, 0.0002524500000000, 0.0002348000000000 ] - [ 0.0001001400000000, -0.0002811600000000, 0.0002134800000000 ] - [ 0.0000166600000000, 0.0002788400000000, 0.0002126100000000 ] - [ -0.0000799300000000, 0.0000588200000000, -0.0001097800000000 ] - [ 0.0000000000000000, 0.0002446700000000, -0.0002937600000000 ] - [ 0.0000000000000000, 0.0004925700000000, 0.0004384500000000 ] - [ 0.0000000000000000, -0.0005486800000000, 0.0002934600000000 ] - [ 0.0000000000000000, -0.0004227200000000, 0.0002929000000000 ] - [ 0.0000000000000000, 0.0004258400000000, -0.0001002900000000 ] - [ 0.0000000000000000, 0.0003185600000000, -0.0000344100000000 ] - [ 0.0000000000000000, -0.0002850500000000, 0.0000947000000000 ] - [ 0.0000000000000000, -0.0007554500000000, -0.0007252100000000 ] - [ 0.0000000000000000, 0.0008270000000000, 0.0001680600000000 ] - [ 0.0000000000000000, 0.0009596700000000, -0.0002550300000000 ] - [ 0.0000000000000000, -0.0009275300000000, -0.0001352600000000 ] - [ 0.0000000000000000, -0.0007393400000000, 0.0001870600000000 ] - [ -0.0001836900000000, -0.0006565900000000, 0.0000335300000000 ] - [ 0.0000791200000000, -0.0002278900000000, 0.0004054000000000 ] - [ -0.0000372400000000, 0.0002653500000000, 0.0003581800000000 ] - [ -0.0001890600000000, 0.0002603400000000, 0.0001406200000000 ] - [ 0.0000790600000000, -0.0004454300000000, -0.0002817600000000 ] - [ -0.0001109100000000, -0.0002859000000000, -0.0000771800000000 ] - [ 0.0000709200000000, 0.0003570500000000, -0.0000632100000000 ] - [ 0.0001382400000000, 0.0001872200000000, -0.0004314300000000 ] - [ -0.0000709200000000, 0.0003570500000000, -0.0000632100000000 ] - [ -0.0001382400000000, 0.0001872200000000, -0.0004314300000000 ] - [ -0.0000790600000000, -0.0004454300000000, -0.0002817600000000 ] - [ 0.0001109100000000, -0.0002859000000000, -0.0000771800000000 ] - [ 0.0000372400000000, 0.0002653500000000, 0.0003581800000000 ] - [ 0.0001890600000000, 0.0002603400000000, 0.0001406200000000 ] - [ 0.0001836900000000, -0.0006565900000000, 0.0000335300000000 ] - [ -0.0000791200000000, -0.0002278900000000, 0.0004054000000000 ] - [ 0.0000000000000000, 0.0005677600000000, 0.0000700900000000 ] - [ 0.0000000000000000, 0.0003811900000000, -0.0000710900000000 ] - [ 0.0000000000000000, -0.0007859700000000, -0.0000214700000000 ] - [ 0.0000000000000000, -0.0005533200000000, 0.0000832600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001144800000000, 0.0001622100000000, 0.0001882000000000 ] - [ 0.0000164000000000, 0.0003668900000000, -0.0002112200000000 ] - [ 0.0006012500000000, -0.0000044700000000, -0.0003910400000000 ] - [ 0.0003445500000000, -0.0000893400000000, 0.0003927900000000 ] - [ 0.0001144800000000, 0.0001622100000000, 0.0001882000000000 ] - [ -0.0000164000000000, 0.0003668900000000, -0.0002112200000000 ] - [ -0.0006012500000000, -0.0000044700000000, -0.0003910400000000 ] - [ -0.0003445500000000, -0.0000893400000000, 0.0003927900000000 ] - [ 0.0000162000000000, -0.0000230800000000, 0.0000462500000000 ] - [ -0.0002034600000000, 0.0000012600000000, 0.0002210900000000 ] - [ 0.0000295100000000, 0.0000221600000000, 0.0001936200000000 ] - [ 0.0002467700000000, 0.0000323100000000, -0.0004707300000000 ] - [ -0.0000162000000000, -0.0000230800000000, 0.0000462500000000 ] - [ 0.0002034600000000, 0.0000012600000000, 0.0002210900000000 ] - [ -0.0000295100000000, 0.0000221600000000, 0.0001936200000000 ] - [ -0.0002467700000000, 0.0000323100000000, -0.0004707300000000 ] - [ -0.0001788900000000, 0.0001780700000000, 0.0001830800000000 ] - [ 0.0002980100000000, 0.0000809700000000, -0.0001253000000000 ] - [ 0.0002729600000000, 0.0000204800000000, -0.0001900200000000 ] - [ 0.0000697600000000, -0.0001755800000000, 0.0001538300000000 ] - [ 0.0001788900000000, 0.0001780700000000, 0.0001830800000000 ] - [ -0.0002980100000000, 0.0000809700000000, -0.0001253000000000 ] - [ -0.0002729600000000, 0.0000204800000000, -0.0001900200000000 ] - [ -0.0000697600000000, -0.0001755800000000, 0.0001538300000000 ] - [ -0.0001964600000000, 0.0001780300000000, 0.0002274600000000 ] - [ 0.0002554800000000, -0.0003374200000000, 0.0001465200000000 ] - [ 0.0000380800000000, 0.0000379700000000, 0.0002004300000000 ] - [ 0.0024854200000000, 0.0021470500000000, -0.0024755300000000 ] - [ 0.0001964600000000, 0.0001780300000000, 0.0002274600000000 ] - [ -0.0002554800000000, -0.0003374200000000, 0.0001465200000000 ] - [ -0.0000380800000000, 0.0000379700000000, 0.0002004300000000 ] - [ -0.0024854200000000, 0.0021470500000000, -0.0024755300000000 ] - [ -0.0004006600000000, -0.0005112200000000, 0.0005127200000000 ] - [ -0.0010750200000000, 0.0001230900000000, 0.0009212900000000 ] - [ 0.0011109300000000, 0.0001406800000000, -0.0005427700000000 ] - [ 0.0003249800000000, 0.0004162400000000, 0.0003190000000000 ] - [ 0.0004006600000000, -0.0005112200000000, 0.0005127200000000 ] - [ 0.0010750200000000, 0.0001230900000000, 0.0009212900000000 ] - [ -0.0011109300000000, 0.0001406800000000, -0.0005427700000000 ] - [ -0.0003249800000000, 0.0004162400000000, 0.0003190000000000 ] - [ 0.0000000000000000, -0.0004238700000000, 0.0007113600000000 ] - [ 0.0000000000000000, -0.0502237800000000, -0.0830070000000000 ] - [ 0.0000000000000000, 0.0000950800000000, 0.0003416500000000 ] - [ 0.0000000000000000, 0.0004267400000000, 0.0002704700000000 ] - [ 0.0000000000000000, -0.0017658100000000, 0.0008228900000000 ] - [ 0.0000000000000000, 0.0039949200000000, 0.0021461600000000 ] - [ 0.0000000000000000, 0.0004401600000000, -0.0008700500000000 ] - [ 0.0000000000000000, 0.0003572000000000, 0.0003994500000000 ] - [ -0.0003683200000000, -0.0003166800000000, 0.0002650900000000 ] - [ -0.0007571700000000, -0.0007470500000000, -0.0002965100000000 ] - [ -0.0002757900000000, -0.0002882000000000, -0.0001884900000000 ] - [ 0.0004583000000000, 0.0004113500000000, 0.0003083300000000 ] - [ 0.0003683200000000, -0.0003166800000000, 0.0002650900000000 ] - [ 0.0007571700000000, -0.0007470500000000, -0.0002965100000000 ] - [ 0.0002757900000000, -0.0002882000000000, -0.0001884900000000 ] - [ -0.0004583000000000, 0.0004113500000000, 0.0003083300000000 ] - [ 0.0000000000000000, -0.0001936600000000, 0.0003176000000000 ] - [ 0.0000000000000000, -0.0002004800000000, -0.0005624700000000 ] - [ 0.0000000000000000, -0.0002216700000000, -0.0000398300000000 ] - [ 0.0000000000000000, 0.0004433700000000, 0.0002163300000000 ] - [ 0.0000000000000000, -0.0000822400000000, 0.0001229400000000 ] - [ 0.0000000000000000, -0.0003243500000000, 0.0000996800000000 ] - [ 0.0000000000000000, -0.0006486500000000, -0.0004919800000000 ] - [ 0.0000000000000000, 0.0003357800000000, 0.0003380900000000 ] - [ 0.0001602900000000, 0.0000495100000000, 0.0002818800000000 ] - [ -0.0000439900000000, -0.0002915400000000, -0.0002608700000000 ] - [ -0.0000443100000000, 0.0003257800000000, -0.0002549700000000 ] - [ 0.0004278800000000, -0.0005385600000000, -0.0004065400000000 ] - [ -0.0001602900000000, 0.0000495100000000, 0.0002818800000000 ] - [ 0.0000439900000000, -0.0002915400000000, -0.0002608700000000 ] - [ 0.0000443100000000, 0.0003257800000000, -0.0002549700000000 ] - [ -0.0004278800000000, -0.0005385600000000, -0.0004065400000000 ] - [ 0.0000000000000000, 0.0552274000000000, 0.1058315300000000 ] - [ 0.0000000000000000, 0.0001144500000000, -0.0006300500000000 ] - [ 0.0000000000000000, -0.0004687700000000, 0.0000485200000000 ] - [ 0.0000000000000000, -0.0002917600000000, 0.0000474000000000 ] - [ 0.0000000000000000, 0.0006693500000000, -0.0050667900000000 ] - [ 0.0000000000000000, 0.0002695900000000, -0.0027673000000000 ] - [ 0.0000000000000000, -0.0004915900000000, -0.0004741500000000 ] - [ 0.0000000000000000, -0.0003549000000000, 0.0007179200000000 ] - [ 0.0000000000000000, 0.0012632100000000, -0.0010206500000000 ] - [ 0.0000000000000000, -0.0057220700000000, -0.0077519800000000 ] - [ 0.0000000000000000, -0.0006210000000000, 0.0001005300000000 ] - [ 0.0000000000000000, -0.0008623700000000, -0.0002204400000000 ] - [ -0.0001066600000000, -0.0001584900000000, 0.0006011400000000 ] - [ 0.0001147900000000, -0.0003715800000000, 0.0000272400000000 ] - [ -0.0000365800000000, 0.0004957500000000, -0.0001151000000000 ] - [ -0.0003990100000000, -0.0004314500000000, 0.0002814300000000 ] - [ 0.0001773900000000, -0.0001903300000000, -0.0003176600000000 ] - [ -0.0000649000000000, -0.0002694900000000, -0.0003833400000000 ] - [ 0.0000104600000000, 0.0002896800000000, -0.0005092100000000 ] - [ 0.0002886100000000, -0.0018554200000000, -0.0026232900000000 ] - [ -0.0000104600000000, 0.0002896800000000, -0.0005092100000000 ] - [ -0.0002886100000000, -0.0018554200000000, -0.0026232900000000 ] - [ -0.0001773900000000, -0.0001903300000000, -0.0003176600000000 ] - [ 0.0000649000000000, -0.0002694900000000, -0.0003833400000000 ] - [ 0.0000365800000000, 0.0004957500000000, -0.0001151000000000 ] - [ 0.0003990100000000, -0.0004314500000000, 0.0002814300000000 ] - [ 0.0001066600000000, -0.0001584900000000, 0.0006011400000000 ] - [ -0.0001147900000000, -0.0003715800000000, 0.0000272400000000 ] - [ 0.0000000000000000, 0.0006243700000000, -0.0001125800000000 ] - [ 0.0000000000000000, 0.0003240600000000, -0.0001147800000000 ] - [ 0.0000000000000000, -0.0001360600000000, 0.0004558200000000 ] - [ 0.0000000000000000, -0.0005850700000000, -0.0000223400000000 ] - [ -0.0009689500000000, -0.0007370100000000, -0.0002313000000000 ] - [ 0.0000709200000000, -0.0002035200000000, -0.0002131400000000 ] - [ 0.0000446600000000, 0.0002057300000000, -0.0002116000000000 ] - [ -0.0000578900000000, 0.0004277100000000, 0.0001060700000000 ] - [ 0.0009689500000000, -0.0007370100000000, -0.0002313000000000 ] - [ -0.0000709200000000, -0.0002035200000000, -0.0002131400000000 ] - [ -0.0000446600000000, 0.0002057300000000, -0.0002116000000000 ] - [ 0.0000578900000000, 0.0004277100000000, 0.0001060700000000 ] - [ 0.0000000000000000, 0.0005254300000000, 0.0006369000000000 ] - [ 0.0000000000000000, 0.0002780300000000, -0.0000935400000000 ] - [ 0.0000000000000000, -0.0002224000000000, 0.0000522500000000 ] - [ 0.0000000000000000, -0.0003475600000000, 0.0000516500000000 ] - [ 0.0000000000000000, 0.0003445200000000, -0.0002438200000000 ] - [ 0.0000000000000000, 0.0004524100000000, -0.0003108400000000 ] - [ 0.0000000000000000, -0.0004849000000000, -0.0004383500000000 ] - [ 0.0000000000000000, -0.0000169600000000, 0.0003787400000000 ] - [ 0.0000000000000000, 0.0007283900000000, -0.0001679000000000 ] - [ 0.0000000000000000, 0.0005961200000000, 0.0002541100000000 ] - [ 0.0000000000000000, -0.0006298100000000, 0.0001366600000000 ] - [ 0.0000000000000000, -0.0008160200000000, -0.0001868400000000 ] - [ 0.0003362100000000, 0.0000791300000000, 0.0004430600000000 ] - [ 0.0000750000000000, -0.0003461800000000, 0.0000696500000000 ] - [ -0.0001169600000000, 0.0003090000000000, 0.0001161600000000 ] - [ 0.0000348100000000, 0.0003144100000000, 0.0003326200000000 ] - [ -0.0002329900000000, -0.0001293400000000, -0.0001911900000000 ] - [ -0.0000436600000000, -0.0002880200000000, -0.0003962600000000 ] - [ 0.0000830300000000, 0.0002176000000000, -0.0004111800000000 ] - [ 0.0000158500000000, 0.0003871100000000, -0.0000443100000000 ] - [ -0.0000830300000000, 0.0002176000000000, -0.0004111800000000 ] - [ -0.0000158500000000, 0.0003871100000000, -0.0000443100000000 ] - [ 0.0002329900000000, -0.0001293400000000, -0.0001911900000000 ] - [ 0.0000436600000000, -0.0002880200000000, -0.0003962600000000 ] - [ 0.0001169600000000, 0.0003090000000000, 0.0001161600000000 ] - [ -0.0000348100000000, 0.0003144100000000, 0.0003326200000000 ] - [ -0.0003362100000000, 0.0000791300000000, 0.0004430600000000 ] - [ -0.0000750000000000, -0.0003461800000000, 0.0000696500000000 ] - [ 0.0000000000000000, 0.0005296400000000, -0.0000695300000000 ] - [ 0.0000000000000000, 0.0007159900000000, 0.0000711300000000 ] - [ 0.0000000000000000, -0.0003089800000000, 0.0000221600000000 ] - [ 0.0000000000000000, -0.0005438500000000, -0.0000834900000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000142600000000, 0.0003557600000000, 0.0000000000000000 ] - [ -0.0001089800000000, 0.0001822700000000, 0.0000000000000000 ] - [ 0.0001314200000000, -0.0000648200000000, -0.0001281000000000 ] - [ 0.0001314200000000, -0.0000648200000000, 0.0001281000000000 ] - [ 0.0002316400000000, -0.0000084300000000, 0.0000000000000000 ] - [ 0.0001098200000000, 0.0001673500000000, 0.0000000000000000 ] - [ -0.0000846000000000, -0.0002851000000000, 0.0001283600000000 ] - [ -0.0000846000000000, -0.0002851000000000, -0.0001283600000000 ] - [ -0.0004808900000000, 0.0001539800000000, 0.0001586300000000 ] - [ -0.0000645700000000, 0.0000078900000000, -0.0000483800000000 ] - [ -0.0004117400000000, -0.0001535300000000, 0.0001580600000000 ] - [ 0.0000056600000000, -0.0000078600000000, -0.0000480700000000 ] - [ -0.0004117400000000, -0.0001535300000000, -0.0001580600000000 ] - [ 0.0000056600000000, -0.0000078600000000, 0.0000480700000000 ] - [ -0.0004808900000000, 0.0001539800000000, -0.0001586300000000 ] - [ -0.0000645700000000, 0.0000078900000000, 0.0000483800000000 ] - [ -0.0005970400000000, 0.0004646600000000, 0.0000000000000000 ] - [ -0.0001134100000000, 0.0001783100000000, 0.0000000000000000 ] - [ 0.0000793400000000, -0.0001508400000000, 0.0000257000000000 ] - [ 0.0000793400000000, -0.0001508400000000, -0.0000257000000000 ] - [ -0.0003795300000000, -0.0001111100000000, 0.0000000000000000 ] - [ 0.0001061000000000, 0.0001717200000000, 0.0000000000000000 ] - [ -0.0001402700000000, -0.0001992600000000, -0.0000253400000000 ] - [ -0.0001402700000000, -0.0001992600000000, 0.0000253400000000 ] - [ 0.0002444300000000, -0.0003210400000000, 0.0006339900000000 ] - [ -0.0000360900000000, 0.0000033100000000, -0.0000022100000000 ] - [ 0.0003243900000000, 0.0003159600000000, 0.0006253800000000 ] - [ 0.0000350000000000, -0.0000028600000000, -0.0000020500000000 ] - [ 0.0003243900000000, 0.0003159600000000, -0.0006253800000000 ] - [ 0.0000350000000000, -0.0000028600000000, 0.0000020500000000 ] - [ 0.0002444300000000, -0.0003210400000000, -0.0006339900000000 ] - [ -0.0000360900000000, 0.0000033100000000, 0.0000022100000000 ] - [ 0.0004603400000000, -0.0029679600000000, 0.0000000000000000 ] - [ -0.0003911500000000, -0.0003833500000000, 0.0000000000000000 ] - [ 0.0006762900000000, 0.0003913200000000, 0.0002191900000000 ] - [ 0.0006762900000000, 0.0003913200000000, -0.0002191900000000 ] - [ 0.0012681300000000, 0.0022399800000000, 0.0000000000000000 ] - [ 0.0004177900000000, -0.0003496900000000, 0.0000000000000000 ] - [ -0.0001335500000000, 0.0003416000000000, -0.0002200300000000 ] - [ -0.0001335500000000, 0.0003416000000000, 0.0002200300000000 ] - [ 0.0052767300000000, -0.0004145800000000, 0.0001280800000000 ] - [ 0.0000401300000000, -0.0002680500000000, -0.0000056700000000 ] - [ 0.0005491300000000, 0.0002662100000000, -0.0000081500000000 ] - [ 0.0001173700000000, 0.0002662700000000, -0.0000052400000000 ] - [ 0.0052767300000000, -0.0004145800000000, -0.0001280800000000 ] - [ 0.0000401300000000, -0.0002680500000000, 0.0000056700000000 ] - [ 0.0001173700000000, 0.0002662700000000, 0.0000052400000000 ] - [ 0.0005491300000000, 0.0002662100000000, 0.0000081500000000 ] - [ 0.0018568900000000, 0.0019896000000000, 0.0000000000000000 ] - [ -0.0003997900000000, -0.0003674100000000, 0.0000000000000000 ] - [ 0.0004285600000000, 0.0003908700000000, -0.0000326700000000 ] - [ 0.0004285600000000, 0.0003908700000000, 0.0000326700000000 ] - [ 0.0027118700000000, -0.0027868900000000, 0.0000000000000000 ] - [ 0.0004085900000000, -0.0003644000000000, 0.0000000000000000 ] - [ -0.0003792900000000, 0.0003392800000000, 0.0000352400000000 ] - [ -0.0003792900000000, 0.0003392800000000, -0.0000352400000000 ] - [ -0.0005494600000000, -0.0002669200000000, -0.0000075300000000 ] - [ 0.0000123100000000, -0.0002659800000000, -0.0000053200000000 ] - [ 0.0000006900000000, 0.0002670700000000, -0.0000052400000000 ] - [ -0.0000052700000000, 0.0002658800000000, -0.0000059300000000 ] - [ -0.0005494600000000, -0.0002669200000000, 0.0000075300000000 ] - [ 0.0000123100000000, -0.0002659800000000, 0.0000053200000000 ] - [ -0.0000052700000000, 0.0002658800000000, 0.0000059300000000 ] - [ 0.0000006900000000, 0.0002670700000000, 0.0000052400000000 ] - [ -0.0000139900000000, -0.0001208500000000, 0.0002980200000000 ] - [ -0.0000139900000000, -0.0001208500000000, -0.0002980200000000 ] - [ 0.0001594800000000, -0.0002214400000000, 0.0000000000000000 ] - [ 0.0000083800000000, 0.0002459100000000, 0.0000000000000000 ] - [ 0.0000109400000000, -0.0003665600000000, -0.0002983000000000 ] - [ 0.0000109400000000, -0.0003665600000000, 0.0002983000000000 ] - [ 0.0001372900000000, 0.0007098200000000, 0.0000000000000000 ] - [ -0.0000167100000000, 0.0002409000000000, 0.0000000000000000 ] - [ 0.0000319800000000, 0.0003857600000000, 0.0001713000000000 ] - [ -0.0005145300000000, 0.0003915000000000, 0.0001534800000000 ] - [ -0.0000556500000000, -0.0003845700000000, 0.0001731100000000 ] - [ -0.0000252500000000, -0.0003851800000000, 0.0001711900000000 ] - [ -0.0005145300000000, 0.0003915000000000, -0.0001534800000000 ] - [ 0.0000319800000000, 0.0003857600000000, -0.0001713000000000 ] - [ -0.0000556500000000, -0.0003845700000000, -0.0001731100000000 ] - [ -0.0000252500000000, -0.0003851800000000, -0.0001711900000000 ] - [ -0.0302662200000000, 0.0010838400000000, 0.0000000000000000 ] - [ -0.0000515500000000, 0.0007804400000000, 0.0000000000000000 ] - [ -0.0001223000000000, -0.0007794000000000, 0.0000003300000000 ] - [ -0.0001223000000000, -0.0007794000000000, -0.0000003300000000 ] - [ -0.0000103000000000, -0.0002910900000000, 0.0002103100000000 ] - [ -0.0001250100000000, -0.0003650300000000, 0.0002842200000000 ] - [ 0.0014853700000000, 0.0053956200000000, 0.0033820400000000 ] - [ -0.0000963100000000, 0.0002873700000000, 0.0002444600000000 ] - [ -0.0002807200000000, -0.0002086200000000, -0.0001871500000000 ] - [ -0.0001660500000000, -0.0002815000000000, -0.0002623300000000 ] - [ 0.0016291400000000, -0.0047875400000000, 0.0028963500000000 ] - [ 0.0000594900000000, 0.0002859800000000, -0.0002276600000000 ] - [ 0.0014853700000000, 0.0053956200000000, -0.0033820400000000 ] - [ -0.0000963100000000, 0.0002873700000000, -0.0002444600000000 ] - [ -0.0001250100000000, -0.0003650300000000, -0.0002842200000000 ] - [ -0.0000103000000000, -0.0002910900000000, -0.0002103100000000 ] - [ 0.0016291400000000, -0.0047875400000000, -0.0028963500000000 ] - [ 0.0000594900000000, 0.0002859800000000, 0.0002276600000000 ] - [ -0.0001660500000000, -0.0002815000000000, 0.0002623300000000 ] - [ -0.0002807200000000, -0.0002086200000000, 0.0001871500000000 ] - [ -0.0010066900000000, 0.0005459200000000, 0.0000000000000000 ] - [ -0.0000198100000000, 0.0005476400000000, 0.0000000000000000 ] - [ -0.0002089200000000, -0.0005476300000000, -0.0000003600000000 ] - [ -0.0002089200000000, -0.0005476300000000, 0.0000003600000000 ] - [ -0.0000403200000000, -0.0002559100000000, 0.0000164300000000 ] - [ -0.0000403200000000, -0.0002559100000000, -0.0000164300000000 ] - [ 0.0039735100000000, -0.0008207200000000, 0.0000000000000000 ] - [ 0.0000132300000000, 0.0002402200000000, 0.0000000000000000 ] - [ -0.0000138900000000, -0.0002302300000000, -0.0000176000000000 ] - [ -0.0000138900000000, -0.0002302300000000, 0.0000176000000000 ] - [ 0.0038296300000000, 0.0012832500000000, 0.0000000000000000 ] - [ -0.0000124600000000, 0.0002462900000000, 0.0000000000000000 ] - [ 0.0000232000000000, 0.0003849500000000, 0.0001708800000000 ] - [ 0.0002761500000000, 0.0003846000000000, 0.0001713600000000 ] - [ 0.0001835700000000, -0.0003853000000000, 0.0001707200000000 ] - [ 0.0000190300000000, -0.0003851500000000, 0.0001715800000000 ] - [ 0.0002761500000000, 0.0003846000000000, -0.0001713600000000 ] - [ 0.0000232000000000, 0.0003849500000000, -0.0001708800000000 ] - [ 0.0001835700000000, -0.0003853000000000, -0.0001707200000000 ] - [ 0.0000190300000000, -0.0003851500000000, -0.0001715800000000 ] - [ -0.0000075000000000, 0.0007806000000000, 0.0000000000000000 ] - [ -0.0000045400000000, 0.0007795100000000, 0.0000000000000000 ] - [ -0.0000191400000000, -0.0007799600000000, -0.0000008000000000 ] - [ -0.0000191400000000, -0.0007799600000000, 0.0000008000000000 ] - [ 0.0000857600000000, -0.0002892700000000, 0.0002298900000000 ] - [ 0.0000765800000000, -0.0002765700000000, 0.0002088600000000 ] - [ 0.0003238700000000, 0.0006298100000000, 0.0001274700000000 ] - [ -0.0000795900000000, 0.0002885500000000, 0.0002341600000000 ] - [ -0.0000791300000000, -0.0002953600000000, -0.0002644000000000 ] - [ -0.0000707400000000, -0.0002833300000000, -0.0002411900000000 ] - [ 0.0004834200000000, -0.0000581000000000, -0.0003460300000000 ] - [ 0.0000766600000000, 0.0002839800000000, -0.0002382300000000 ] - [ 0.0003238700000000, 0.0006298100000000, -0.0001274700000000 ] - [ -0.0000795900000000, 0.0002885500000000, -0.0002341600000000 ] - [ 0.0000765800000000, -0.0002765700000000, -0.0002088600000000 ] - [ 0.0000857600000000, -0.0002892700000000, -0.0002298900000000 ] - [ 0.0004834200000000, -0.0000581000000000, 0.0003460300000000 ] - [ 0.0000766600000000, 0.0002839800000000, 0.0002382300000000 ] - [ -0.0000707400000000, -0.0002833300000000, 0.0002411900000000 ] - [ -0.0000791300000000, -0.0002953600000000, 0.0002644000000000 ] - [ 0.0006708200000000, 0.0005547700000000, 0.0000000000000000 ] - [ -0.0000020400000000, 0.0005474700000000, 0.0000000000000000 ] - [ 0.0000208000000000, -0.0005471300000000, -0.0000003400000000 ] - [ 0.0000208000000000, -0.0005471300000000, 0.0000003400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000595400000000, -0.0002493400000000, 0.0000000000000000 ] - [ -0.0000862800000000, 0.0001793900000000, 0.0000000000000000 ] - [ 0.0005815100000000, 0.0002135700000000, -0.0000116200000000 ] - [ 0.0005815100000000, 0.0002135700000000, 0.0000116200000000 ] - [ -0.0000595400000000, -0.0002493400000000, 0.0000000000000000 ] - [ 0.0000862800000000, 0.0001793900000000, 0.0000000000000000 ] - [ -0.0005815100000000, 0.0002135700000000, -0.0000116200000000 ] - [ -0.0005815100000000, 0.0002135700000000, 0.0000116200000000 ] - [ 0.0005420000000000, -0.0003310600000000, -0.0002360300000000 ] - [ -0.0000076300000000, -0.0000001500000000, 0.0001004200000000 ] - [ -0.0005420000000000, -0.0003310600000000, 0.0002360300000000 ] - [ 0.0000076300000000, -0.0000001500000000, -0.0001004200000000 ] - [ -0.0005420000000000, -0.0003310600000000, -0.0002360300000000 ] - [ 0.0000076300000000, -0.0000001500000000, 0.0001004200000000 ] - [ 0.0005420000000000, -0.0003310600000000, 0.0002360300000000 ] - [ -0.0000076300000000, -0.0000001500000000, -0.0001004200000000 ] - [ -0.0004793500000000, 0.0007688200000000, 0.0000000000000000 ] - [ -0.0000701700000000, 0.0001793700000000, 0.0000000000000000 ] - [ 0.0001849700000000, -0.0002638600000000, 0.0000311600000000 ] - [ 0.0001849700000000, -0.0002638600000000, -0.0000311600000000 ] - [ 0.0004793500000000, 0.0007688200000000, 0.0000000000000000 ] - [ 0.0000701700000000, 0.0001793700000000, 0.0000000000000000 ] - [ -0.0001849700000000, -0.0002638600000000, 0.0000311600000000 ] - [ -0.0001849700000000, -0.0002638600000000, -0.0000311600000000 ] - [ 0.0001059300000000, -0.0004447700000000, 0.0001575700000000 ] - [ 0.0000113400000000, -0.0001041800000000, -0.0000209600000000 ] - [ -0.0001059300000000, -0.0004447700000000, -0.0001575700000000 ] - [ -0.0000113400000000, -0.0001041800000000, 0.0000209600000000 ] - [ -0.0001059300000000, -0.0004447700000000, 0.0001575700000000 ] - [ -0.0000113400000000, -0.0001041800000000, -0.0000209600000000 ] - [ 0.0001059300000000, -0.0004447700000000, -0.0001575700000000 ] - [ 0.0000113400000000, -0.0001041800000000, 0.0000209600000000 ] - [ -0.0008277800000000, -0.0025985600000000, 0.0000000000000000 ] - [ -0.0004517300000000, -0.0002634300000000, 0.0000000000000000 ] - [ 0.0002221900000000, 0.0002320300000000, -0.0002447100000000 ] - [ 0.0002221900000000, 0.0002320300000000, 0.0002447100000000 ] - [ 0.0008277800000000, -0.0025985600000000, 0.0000000000000000 ] - [ 0.0004517300000000, -0.0002634300000000, 0.0000000000000000 ] - [ -0.0002221900000000, 0.0002320300000000, -0.0002447100000000 ] - [ -0.0002221900000000, 0.0002320300000000, 0.0002447100000000 ] - [ 0.0000000000000000, 0.0497246800000000, -0.0406377200000000 ] - [ 0.0000000000000000, 0.0004892200000000, 0.0001740600000000 ] - [ 0.0000000000000000, 0.0000041200000000, -0.0000432100000000 ] - [ 0.0000000000000000, 0.0001924100000000, 0.0000556300000000 ] - [ 0.0000000000000000, 0.0497246800000000, 0.0406377200000000 ] - [ 0.0000000000000000, 0.0004892200000000, -0.0001740600000000 ] - [ 0.0000000000000000, 0.0001924100000000, -0.0000556300000000 ] - [ 0.0000000000000000, 0.0000041200000000, 0.0000432100000000 ] - [ 0.0013743700000000, -0.0010914200000000, 0.0000000000000000 ] - [ -0.0004347300000000, -0.0004038700000000, 0.0000000000000000 ] - [ 0.0004845500000000, 0.0004767300000000, -0.0000735900000000 ] - [ 0.0004845500000000, 0.0004767300000000, 0.0000735900000000 ] - [ -0.0013743700000000, -0.0010914200000000, 0.0000000000000000 ] - [ 0.0004347300000000, -0.0004038700000000, 0.0000000000000000 ] - [ -0.0004845500000000, 0.0004767300000000, -0.0000735900000000 ] - [ -0.0004845500000000, 0.0004767300000000, 0.0000735900000000 ] - [ 0.0000000000000000, -0.0008650600000000, 0.0002706200000000 ] - [ 0.0000000000000000, -0.0002911600000000, -0.0000713500000000 ] - [ 0.0000000000000000, 0.0006464400000000, -0.0002382100000000 ] - [ 0.0000000000000000, 0.0004344700000000, 0.0000857800000000 ] - [ 0.0000000000000000, -0.0008650600000000, -0.0002706200000000 ] - [ 0.0000000000000000, -0.0002911600000000, 0.0000713500000000 ] - [ 0.0000000000000000, 0.0004344700000000, -0.0000857800000000 ] - [ 0.0000000000000000, 0.0006464400000000, 0.0002382100000000 ] - [ 0.0000317100000000, -0.0001140900000000, 0.0004140400000000 ] - [ 0.0000317100000000, -0.0001140900000000, -0.0004140400000000 ] - [ -0.0001956100000000, 0.0005051800000000, 0.0000000000000000 ] - [ 0.0000475400000000, 0.0001602100000000, 0.0000000000000000 ] - [ -0.0000317100000000, -0.0001140900000000, 0.0004140400000000 ] - [ -0.0000317100000000, -0.0001140900000000, -0.0004140400000000 ] - [ 0.0001956100000000, 0.0005051800000000, 0.0000000000000000 ] - [ -0.0000475400000000, 0.0001602100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000046800000000, -0.0003161100000000 ] - [ 0.0000000000000000, -0.0018190900000000, 0.0067160500000000 ] - [ 0.0000000000000000, -0.0001990600000000, 0.0003260200000000 ] - [ 0.0000000000000000, -0.0002666300000000, 0.0000872700000000 ] - [ 0.0000000000000000, -0.0018190900000000, -0.0067160500000000 ] - [ 0.0000000000000000, 0.0000046800000000, 0.0003161100000000 ] - [ 0.0000000000000000, -0.0001990600000000, -0.0003260200000000 ] - [ 0.0000000000000000, -0.0002666300000000, -0.0000872700000000 ] - [ 0.0000000000000000, -0.1091120900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003703300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006521800000000, 0.0001255100000000 ] - [ 0.0000000000000000, -0.0006521800000000, -0.0001255100000000 ] - [ 0.0001289600000000, -0.0002289400000000, 0.0003079300000000 ] - [ 0.0002060300000000, -0.0002017700000000, 0.0001804400000000 ] - [ 0.0033574800000000, 0.0039718300000000, 0.0045087100000000 ] - [ -0.0001165500000000, 0.0001897300000000, 0.0003002800000000 ] - [ -0.0002060300000000, -0.0002017700000000, -0.0001804400000000 ] - [ -0.0001289600000000, -0.0002289400000000, -0.0003079300000000 ] - [ -0.0033574800000000, 0.0039718300000000, -0.0045087100000000 ] - [ 0.0001165500000000, 0.0001897300000000, -0.0003002800000000 ] - [ 0.0033574800000000, 0.0039718300000000, -0.0045087100000000 ] - [ -0.0001165500000000, 0.0001897300000000, -0.0003002800000000 ] - [ 0.0002060300000000, -0.0002017700000000, -0.0001804400000000 ] - [ 0.0001289600000000, -0.0002289400000000, -0.0003079300000000 ] - [ -0.0033574800000000, 0.0039718300000000, 0.0045087100000000 ] - [ 0.0001165500000000, 0.0001897300000000, 0.0003002800000000 ] - [ -0.0001289600000000, -0.0002289400000000, 0.0003079300000000 ] - [ -0.0002060300000000, -0.0002017700000000, 0.0001804400000000 ] - [ 0.0000000000000000, 0.0012765000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004832100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004882800000000, 0.0000670400000000 ] - [ 0.0000000000000000, -0.0004882800000000, -0.0000670400000000 ] - [ 0.0001042900000000, -0.0002118400000000, -0.0000391900000000 ] - [ 0.0001042900000000, -0.0002118400000000, 0.0000391900000000 ] - [ -0.0008295200000000, 0.0012965600000000, 0.0000000000000000 ] - [ 0.0000029000000000, 0.0002766200000000, 0.0000000000000000 ] - [ -0.0001042900000000, -0.0002118400000000, -0.0000391900000000 ] - [ -0.0001042900000000, -0.0002118400000000, 0.0000391900000000 ] - [ 0.0008295200000000, 0.0012965600000000, 0.0000000000000000 ] - [ -0.0000029000000000, 0.0002766200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004331500000000, 0.0002215100000000 ] - [ 0.0000000000000000, 0.0007968800000000, 0.0003524200000000 ] - [ 0.0000000000000000, -0.0006158700000000, 0.0003210900000000 ] - [ 0.0000000000000000, -0.0004287800000000, 0.0001337800000000 ] - [ 0.0000000000000000, 0.0007968800000000, -0.0003524200000000 ] - [ 0.0000000000000000, 0.0004331500000000, -0.0002215100000000 ] - [ 0.0000000000000000, -0.0006158700000000, -0.0003210900000000 ] - [ 0.0000000000000000, -0.0004287800000000, -0.0001337800000000 ] - [ 0.0000000000000000, 0.0010950700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007770700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009144900000000, 0.0000405800000000 ] - [ 0.0000000000000000, -0.0009144900000000, -0.0000405800000000 ] - [ 0.0000491800000000, -0.0003500600000000, 0.0002394900000000 ] - [ 0.0000102900000000, -0.0003814800000000, 0.0001329800000000 ] - [ 0.0002163400000000, 0.0008368200000000, 0.0001273200000000 ] - [ -0.0000642500000000, 0.0002985700000000, 0.0002191200000000 ] - [ -0.0000102900000000, -0.0003814800000000, -0.0001329800000000 ] - [ -0.0000491800000000, -0.0003500600000000, -0.0002394900000000 ] - [ -0.0002163400000000, 0.0008368200000000, -0.0001273200000000 ] - [ 0.0000642500000000, 0.0002985700000000, -0.0002191200000000 ] - [ 0.0002163400000000, 0.0008368200000000, -0.0001273200000000 ] - [ -0.0000642500000000, 0.0002985700000000, -0.0002191200000000 ] - [ 0.0000102900000000, -0.0003814800000000, -0.0001329800000000 ] - [ 0.0000491800000000, -0.0003500600000000, -0.0002394900000000 ] - [ -0.0002163400000000, 0.0008368200000000, 0.0001273200000000 ] - [ 0.0000642500000000, 0.0002985700000000, 0.0002191200000000 ] - [ -0.0000491800000000, -0.0003500600000000, 0.0002394900000000 ] - [ -0.0000102900000000, -0.0003814800000000, 0.0001329800000000 ] - [ 0.0000000000000000, 0.0015775400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005734900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006397300000000, 0.0000432300000000 ] - [ 0.0000000000000000, -0.0006397300000000, -0.0000432300000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002812700000000, 0.0006019100000000, 0.0000000000000000 ] - [ -0.0001335700000000, 0.0001698500000000, 0.0000000000000000 ] - [ -0.0003605100000000, -0.0005623500000000, 0.0000122500000000 ] - [ -0.0003605100000000, -0.0005623500000000, -0.0000122500000000 ] - [ 0.0002812700000000, 0.0006019100000000, 0.0000000000000000 ] - [ 0.0001335700000000, 0.0001698500000000, 0.0000000000000000 ] - [ 0.0003605100000000, -0.0005623500000000, 0.0000122500000000 ] - [ 0.0003605100000000, -0.0005623500000000, -0.0000122500000000 ] - [ -0.0006134600000000, 0.0003303800000000, 0.0002367600000000 ] - [ -0.0000635400000000, -0.0000000200000000, -0.0001004800000000 ] - [ 0.0006134600000000, 0.0003303800000000, -0.0002367600000000 ] - [ 0.0000635400000000, -0.0000000200000000, 0.0001004800000000 ] - [ 0.0006134600000000, 0.0003303800000000, 0.0002367600000000 ] - [ 0.0000635400000000, -0.0000000200000000, -0.0001004800000000 ] - [ -0.0006134600000000, 0.0003303800000000, -0.0002367600000000 ] - [ -0.0000635400000000, -0.0000000200000000, 0.0001004800000000 ] - [ 0.0002653200000000, -0.0004231600000000, 0.0000000000000000 ] - [ -0.0001491900000000, 0.0001696500000000, 0.0000000000000000 ] - [ 0.0000338100000000, -0.0000855100000000, -0.0000321400000000 ] - [ 0.0000338100000000, -0.0000855100000000, 0.0000321400000000 ] - [ -0.0002653200000000, -0.0004231600000000, 0.0000000000000000 ] - [ 0.0001491900000000, 0.0001696500000000, 0.0000000000000000 ] - [ -0.0000338100000000, -0.0000855100000000, -0.0000321400000000 ] - [ -0.0000338100000000, -0.0000855100000000, 0.0000321400000000 ] - [ -0.0001786500000000, 0.0004492100000000, -0.0001670500000000 ] - [ -0.0000815800000000, 0.0001037500000000, 0.0000209800000000 ] - [ 0.0001786500000000, 0.0004492100000000, 0.0001670500000000 ] - [ 0.0000815800000000, 0.0001037500000000, -0.0000209800000000 ] - [ 0.0001786500000000, 0.0004492100000000, -0.0001670500000000 ] - [ 0.0000815800000000, 0.0001037500000000, 0.0000209800000000 ] - [ -0.0001786500000000, 0.0004492100000000, 0.0001670500000000 ] - [ -0.0000815800000000, 0.0001037500000000, -0.0000209800000000 ] - [ 0.0000164100000000, 0.0018769400000000, 0.0000000000000000 ] - [ -0.0003588900000000, -0.0004694800000000, 0.0000000000000000 ] - [ 0.0005883000000000, 0.0005007900000000, 0.0002452400000000 ] - [ 0.0005883000000000, 0.0005007900000000, -0.0002452400000000 ] - [ -0.0000164100000000, 0.0018769400000000, 0.0000000000000000 ] - [ 0.0003588900000000, -0.0004694800000000, 0.0000000000000000 ] - [ -0.0005883000000000, 0.0005007900000000, 0.0002452400000000 ] - [ -0.0005883000000000, 0.0005007900000000, -0.0002452400000000 ] - [ 0.0000000000000000, -0.0496762100000000, 0.0393344800000000 ] - [ 0.0000000000000000, -0.0010170400000000, -0.0001830800000000 ] - [ 0.0000000000000000, 0.0005256000000000, 0.0000349600000000 ] - [ 0.0000000000000000, 0.0003384700000000, -0.0000661400000000 ] - [ 0.0000000000000000, -0.0496762100000000, -0.0393344800000000 ] - [ 0.0000000000000000, -0.0010170400000000, 0.0001830800000000 ] - [ 0.0000000000000000, 0.0003384700000000, 0.0000661400000000 ] - [ 0.0000000000000000, 0.0005256000000000, -0.0000349600000000 ] - [ -0.0022056800000000, 0.0003798400000000, 0.0000000000000000 ] - [ -0.0003759400000000, -0.0003294500000000, 0.0000000000000000 ] - [ 0.0003269100000000, 0.0002571000000000, 0.0000725300000000 ] - [ 0.0003269100000000, 0.0002571000000000, -0.0000725300000000 ] - [ 0.0022056800000000, 0.0003798400000000, 0.0000000000000000 ] - [ 0.0003759400000000, -0.0003294500000000, 0.0000000000000000 ] - [ -0.0003269100000000, 0.0002571000000000, 0.0000725300000000 ] - [ -0.0003269100000000, 0.0002571000000000, -0.0000725300000000 ] - [ 0.0000000000000000, 0.0003400800000000, -0.0002822300000000 ] - [ 0.0000000000000000, -0.0002408400000000, 0.0000605300000000 ] - [ 0.0000000000000000, -0.0001160100000000, 0.0002271600000000 ] - [ 0.0000000000000000, 0.0000966800000000, -0.0000955300000000 ] - [ 0.0000000000000000, 0.0003400800000000, 0.0002822300000000 ] - [ 0.0000000000000000, -0.0002408400000000, -0.0000605300000000 ] - [ 0.0000000000000000, 0.0000966800000000, 0.0000955300000000 ] - [ 0.0000000000000000, -0.0001160100000000, -0.0002271600000000 ] - [ -0.0000599600000000, -0.0003713300000000, -0.0004143600000000 ] - [ -0.0000599600000000, -0.0003713300000000, 0.0004143600000000 ] - [ 0.0002241600000000, -0.0000238700000000, 0.0000000000000000 ] - [ -0.0000198800000000, 0.0003240200000000, 0.0000000000000000 ] - [ 0.0000599600000000, -0.0003713300000000, -0.0004143600000000 ] - [ 0.0000599600000000, -0.0003713300000000, 0.0004143600000000 ] - [ -0.0002241600000000, -0.0000238700000000, 0.0000000000000000 ] - [ 0.0000198800000000, 0.0003240200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007611600000000, 0.0006550700000000 ] - [ 0.0000000000000000, 0.0026146100000000, -0.0063773600000000 ] - [ 0.0000000000000000, -0.0005698600000000, 0.0000168000000000 ] - [ 0.0000000000000000, -0.0005037700000000, 0.0002573600000000 ] - [ 0.0000000000000000, 0.0026146100000000, 0.0063773600000000 ] - [ 0.0000000000000000, 0.0007611600000000, -0.0006550700000000 ] - [ 0.0000000000000000, -0.0005698600000000, -0.0000168000000000 ] - [ 0.0000000000000000, -0.0005037700000000, -0.0002573600000000 ] - [ 0.0000000000000000, 0.1093965800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011832300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009034400000000, -0.0001259400000000 ] - [ 0.0000000000000000, -0.0009034400000000, 0.0001259400000000 ] - [ 0.0000251500000000, -0.0003454500000000, 0.0001662800000000 ] - [ -0.0000520700000000, -0.0003729900000000, 0.0002941200000000 ] - [ -0.0034688500000000, -0.0033813400000000, -0.0039921000000000 ] - [ -0.0000375800000000, 0.0003841800000000, 0.0001741800000000 ] - [ 0.0000520700000000, -0.0003729900000000, -0.0002941200000000 ] - [ -0.0000251500000000, -0.0003454500000000, -0.0001662800000000 ] - [ 0.0034688500000000, -0.0033813400000000, 0.0039921000000000 ] - [ 0.0000375800000000, 0.0003841800000000, -0.0001741800000000 ] - [ -0.0034688500000000, -0.0033813400000000, 0.0039921000000000 ] - [ -0.0000375800000000, 0.0003841800000000, -0.0001741800000000 ] - [ -0.0000520700000000, -0.0003729900000000, -0.0002941200000000 ] - [ 0.0000251500000000, -0.0003454500000000, -0.0001662800000000 ] - [ 0.0034688500000000, -0.0033813400000000, -0.0039921000000000 ] - [ 0.0000375800000000, 0.0003841800000000, 0.0001741800000000 ] - [ -0.0000251500000000, -0.0003454500000000, 0.0001662800000000 ] - [ 0.0000520700000000, -0.0003729900000000, 0.0002941200000000 ] - [ 0.0000000000000000, -0.0001813600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006139300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006097100000000, -0.0000678200000000 ] - [ 0.0000000000000000, -0.0006097100000000, 0.0000678200000000 ] - [ -0.0001308000000000, -0.0002725500000000, 0.0000398700000000 ] - [ -0.0001308000000000, -0.0002725500000000, -0.0000398700000000 ] - [ 0.0008437600000000, -0.0008211100000000, 0.0000000000000000 ] - [ 0.0000241500000000, 0.0002081600000000, 0.0000000000000000 ] - [ 0.0001308000000000, -0.0002725500000000, 0.0000398700000000 ] - [ 0.0001308000000000, -0.0002725500000000, -0.0000398700000000 ] - [ -0.0008437600000000, -0.0008211100000000, 0.0000000000000000 ] - [ -0.0000241500000000, 0.0002081600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003368200000000, 0.0001227800000000 ] - [ 0.0000000000000000, -0.0000304200000000, -0.0000109500000000 ] - [ 0.0000000000000000, -0.0001538900000000, 0.0000234600000000 ] - [ 0.0000000000000000, -0.0003416700000000, 0.0002107600000000 ] - [ 0.0000000000000000, -0.0000304200000000, 0.0000109500000000 ] - [ 0.0000000000000000, 0.0003368200000000, -0.0001227800000000 ] - [ 0.0000000000000000, -0.0001538900000000, -0.0000234600000000 ] - [ 0.0000000000000000, -0.0003416700000000, -0.0002107600000000 ] - [ 0.0000000000000000, 0.0004557400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007779100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006401200000000, -0.0000397200000000 ] - [ 0.0000000000000000, -0.0006401200000000, 0.0000397200000000 ] - [ 0.0001047200000000, -0.0002242700000000, 0.0002355900000000 ] - [ 0.0001438600000000, -0.0001934900000000, 0.0003410700000000 ] - [ -0.0003713100000000, -0.0002682300000000, 0.0003485400000000 ] - [ -0.0000897200000000, 0.0002755900000000, 0.0002552800000000 ] - [ -0.0001438600000000, -0.0001934900000000, -0.0003410700000000 ] - [ -0.0001047200000000, -0.0002242700000000, -0.0002355900000000 ] - [ 0.0003713100000000, -0.0002682300000000, -0.0003485400000000 ] - [ 0.0000897200000000, 0.0002755900000000, -0.0002552800000000 ] - [ -0.0003713100000000, -0.0002682300000000, -0.0003485400000000 ] - [ -0.0000897200000000, 0.0002755900000000, -0.0002552800000000 ] - [ 0.0001438600000000, -0.0001934900000000, -0.0003410700000000 ] - [ 0.0001047200000000, -0.0002242700000000, -0.0002355900000000 ] - [ 0.0003713100000000, -0.0002682300000000, 0.0003485400000000 ] - [ 0.0000897200000000, 0.0002755900000000, 0.0002552800000000 ] - [ -0.0001047200000000, -0.0002242700000000, 0.0002355900000000 ] - [ -0.0001438600000000, -0.0001934900000000, 0.0003410700000000 ] - [ 0.0000000000000000, -0.0004954400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005237800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004578700000000, -0.0000431200000000 ] - [ 0.0000000000000000, -0.0004578700000000, 0.0000431200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001092100000000, 0.0001730100000000, 0.0001912500000000 ] - [ -0.0001098500000000, 0.0001746100000000, -0.0001704300000000 ] - [ -0.0004271400000000, -0.0004028000000000, -0.0004528500000000 ] - [ 0.0006479500000000, 0.0000520400000000, -0.0004527500000000 ] - [ 0.0001092100000000, 0.0001730100000000, 0.0001912500000000 ] - [ 0.0001098500000000, 0.0001746100000000, -0.0001704300000000 ] - [ 0.0004271400000000, -0.0004028000000000, -0.0004528500000000 ] - [ -0.0006479500000000, 0.0000520400000000, -0.0004527500000000 ] - [ 0.0003996900000000, -0.0003528500000000, 0.0000679100000000 ] - [ -0.0000745100000000, 0.0000318900000000, -0.0001591400000000 ] - [ 0.0004673000000000, 0.0003507900000000, 0.0000697500000000 ] - [ -0.0000038100000000, -0.0000320300000000, -0.0001590100000000 ] - [ -0.0003996900000000, -0.0003528500000000, 0.0000679100000000 ] - [ 0.0000745100000000, 0.0000318900000000, -0.0001591400000000 ] - [ -0.0004673000000000, 0.0003507900000000, 0.0000697500000000 ] - [ 0.0000038100000000, -0.0000320300000000, -0.0001590100000000 ] - [ -0.0001094500000000, 0.0001768800000000, 0.0006889700000000 ] - [ -0.0001098800000000, 0.0001746600000000, -0.0001644800000000 ] - [ 0.0002314100000000, -0.0001494500000000, 0.0000134100000000 ] - [ -0.0000110800000000, -0.0001997500000000, 0.0000126100000000 ] - [ 0.0001094500000000, 0.0001768800000000, 0.0006889700000000 ] - [ 0.0001098800000000, 0.0001746600000000, -0.0001644800000000 ] - [ -0.0002314100000000, -0.0001494500000000, 0.0000134100000000 ] - [ 0.0000110800000000, -0.0001997500000000, 0.0000126100000000 ] - [ -0.0005559100000000, 0.0006505300000000, -0.0000372100000000 ] - [ 0.0000376300000000, -0.0000478700000000, -0.0001642300000000 ] - [ -0.0004849400000000, -0.0006481500000000, -0.0000360500000000 ] - [ 0.0001083500000000, 0.0000477900000000, -0.0001645200000000 ] - [ 0.0005559100000000, 0.0006505300000000, -0.0000372100000000 ] - [ -0.0000376300000000, -0.0000478700000000, -0.0001642300000000 ] - [ 0.0004849400000000, -0.0006481500000000, -0.0000360500000000 ] - [ -0.0001083500000000, 0.0000477900000000, -0.0001645200000000 ] - [ -0.0004050600000000, -0.0003686400000000, 0.0060681900000000 ] - [ -0.0004048000000000, -0.0003663300000000, -0.0004632100000000 ] - [ 0.0004796100000000, 0.0001083500000000, -0.0001670100000000 ] - [ 0.0003296800000000, 0.0006246200000000, -0.0001661100000000 ] - [ 0.0004050600000000, -0.0003686400000000, 0.0060681900000000 ] - [ 0.0004048000000000, -0.0003663300000000, -0.0004632100000000 ] - [ -0.0004796100000000, 0.0001083500000000, -0.0001670100000000 ] - [ -0.0003296800000000, 0.0006246200000000, -0.0001661100000000 ] - [ 0.0000000000000000, -0.0336877900000000, 0.0482253700000000 ] - [ 0.0000000000000000, -0.0007607000000000, -0.0007492500000000 ] - [ 0.0000000000000000, 0.0000789200000000, -0.0000326600000000 ] - [ 0.0000000000000000, 0.0003867100000000, -0.0002642800000000 ] - [ 0.0000000000000000, 0.0348910700000000, 0.0501191000000000 ] - [ 0.0000000000000000, 0.0002304200000000, -0.0007407900000000 ] - [ 0.0000000000000000, 0.0001449500000000, -0.0002542500000000 ] - [ 0.0000000000000000, 0.0004516700000000, -0.0000222400000000 ] - [ -0.0003918000000000, -0.0003644300000000, -0.0011500000000000 ] - [ -0.0004048200000000, -0.0003661900000000, -0.0002290700000000 ] - [ 0.0002680300000000, 0.0002746800000000, -0.0001650300000000 ] - [ 0.0005408700000000, 0.0004574400000000, -0.0001649200000000 ] - [ 0.0003918000000000, -0.0003644300000000, -0.0011500000000000 ] - [ 0.0004048200000000, -0.0003661900000000, -0.0002290700000000 ] - [ -0.0002680300000000, 0.0002746800000000, -0.0001650300000000 ] - [ -0.0005408700000000, 0.0004574400000000, -0.0001649200000000 ] - [ 0.0000000000000000, -0.0002489800000000, -0.0000655900000000 ] - [ 0.0000000000000000, -0.0002378100000000, -0.0002305300000000 ] - [ 0.0000000000000000, -0.0000630500000000, 0.0000567100000000 ] - [ 0.0000000000000000, 0.0004016200000000, -0.0002086700000000 ] - [ 0.0000000000000000, -0.0002894800000000, -0.0000591900000000 ] - [ 0.0000000000000000, -0.0002936000000000, -0.0002200100000000 ] - [ 0.0000000000000000, 0.0001301300000000, -0.0001981400000000 ] - [ 0.0000000000000000, 0.0005952900000000, 0.0000680900000000 ] - [ 0.0000961500000000, -0.0000500300000000, 0.0003064200000000 ] - [ -0.0001232900000000, -0.0004346500000000, 0.0003063700000000 ] - [ 0.0000112600000000, 0.0002450600000000, -0.0017214400000000 ] - [ 0.0000134600000000, 0.0002422900000000, 0.0002462000000000 ] - [ -0.0000961500000000, -0.0000500300000000, 0.0003064200000000 ] - [ 0.0001232900000000, -0.0004346500000000, 0.0003063700000000 ] - [ -0.0000112600000000, 0.0002450600000000, -0.0017214400000000 ] - [ -0.0000134600000000, 0.0002422900000000, 0.0002462000000000 ] - [ 0.0000000000000000, 0.0009510900000000, 0.0011915000000000 ] - [ 0.0000000000000000, -0.0008438300000000, 0.0079288700000000 ] - [ 0.0000000000000000, -0.0005772400000000, 0.0000736300000000 ] - [ 0.0000000000000000, -0.0004505000000000, 0.0003928900000000 ] - [ 0.0000000000000000, 0.0016240000000000, 0.0077686900000000 ] - [ 0.0000000000000000, -0.0001822400000000, 0.0008526300000000 ] - [ 0.0000000000000000, -0.0001933200000000, -0.0002733500000000 ] - [ 0.0000000000000000, -0.0003195300000000, 0.0000486500000000 ] - [ 0.0000000000000000, -0.0010700300000000, -0.1234408900000000 ] - [ 0.0000000000000000, 0.0007781300000000, 0.0008687900000000 ] - [ 0.0000000000000000, -0.0006518200000000, 0.0001077900000000 ] - [ 0.0000000000000000, -0.0009032700000000, 0.0001076200000000 ] - [ 0.0000437000000000, -0.0001814000000000, 0.0003502600000000 ] - [ 0.0000405300000000, -0.0004302400000000, 0.0002718300000000 ] - [ 0.0027441900000000, 0.0057376100000000, 0.0006079100000000 ] - [ -0.0000632400000000, 0.0001905100000000, 0.0005022600000000 ] - [ -0.0001142900000000, -0.0001439300000000, -0.0002022200000000 ] - [ -0.0001107700000000, -0.0003930600000000, -0.0001239800000000 ] - [ 0.0028696800000000, -0.0051181200000000, 0.0001313500000000 ] - [ 0.0000911500000000, 0.0003836900000000, 0.0000285500000000 ] - [ -0.0028696800000000, -0.0051181200000000, 0.0001313500000000 ] - [ -0.0000911500000000, 0.0003836900000000, 0.0000285500000000 ] - [ 0.0001142900000000, -0.0001439300000000, -0.0002022200000000 ] - [ 0.0001107700000000, -0.0003930600000000, -0.0001239800000000 ] - [ -0.0027441900000000, 0.0057376100000000, 0.0006079100000000 ] - [ 0.0000632400000000, 0.0001905100000000, 0.0005022600000000 ] - [ -0.0000437000000000, -0.0001814000000000, 0.0003502600000000 ] - [ -0.0000405300000000, -0.0004302400000000, 0.0002718300000000 ] - [ 0.0000000000000000, 0.0005498900000000, -0.0010333600000000 ] - [ 0.0000000000000000, 0.0005484700000000, 0.0001007500000000 ] - [ 0.0000000000000000, -0.0004041000000000, -0.0000799800000000 ] - [ 0.0000000000000000, -0.0006942600000000, -0.0000796200000000 ] - [ -0.0002162200000000, -0.0003504000000000, 0.0001111800000000 ] - [ 0.0001880800000000, -0.0001349400000000, 0.0001113100000000 ] - [ 0.0000220500000000, 0.0002409200000000, 0.0005651600000000 ] - [ 0.0000135100000000, 0.0002422700000000, 0.0001799100000000 ] - [ 0.0002162200000000, -0.0003504000000000, 0.0001111800000000 ] - [ -0.0001880800000000, -0.0001349400000000, 0.0001113100000000 ] - [ -0.0000220500000000, 0.0002409200000000, 0.0005651600000000 ] - [ -0.0000135100000000, 0.0002422700000000, 0.0001799100000000 ] - [ 0.0000000000000000, 0.0004398900000000, 0.0003398500000000 ] - [ 0.0000000000000000, 0.0001482600000000, -0.0000817600000000 ] - [ 0.0000000000000000, -0.0002943300000000, 0.0000362600000000 ] - [ 0.0000000000000000, -0.0004667000000000, 0.0003592800000000 ] - [ 0.0000000000000000, 0.0006255900000000, -0.0004275200000000 ] - [ 0.0000000000000000, 0.0003297100000000, -0.0000038100000000 ] - [ 0.0000000000000000, -0.0004768100000000, -0.0003080900000000 ] - [ 0.0000000000000000, -0.0003036400000000, 0.0000146400000000 ] - [ 0.0000000000000000, 0.0007788900000000, 0.0000942700000000 ] - [ 0.0000000000000000, 0.0007776100000000, 0.0001331500000000 ] - [ 0.0000000000000000, -0.0007377200000000, 0.0000561700000000 ] - [ 0.0000000000000000, -0.0008179900000000, 0.0000560500000000 ] - [ 0.0001123700000000, -0.0002386500000000, 0.0003133300000000 ] - [ 0.0000503000000000, -0.0003683300000000, 0.0003049700000000 ] - [ 0.0002438800000000, 0.0005565700000000, 0.0001786400000000 ] - [ -0.0000652600000000, 0.0002495500000000, 0.0003679500000000 ] - [ -0.0001040000000000, -0.0002056000000000, -0.0001686700000000 ] - [ -0.0000422400000000, -0.0003356200000000, -0.0001604400000000 ] - [ 0.0003941200000000, 0.0000240300000000, -0.0002937000000000 ] - [ 0.0000892000000000, 0.0003245100000000, -0.0001061900000000 ] - [ -0.0003941200000000, 0.0000240300000000, -0.0002937000000000 ] - [ -0.0000892000000000, 0.0003245100000000, -0.0001061900000000 ] - [ 0.0001040000000000, -0.0002056000000000, -0.0001686700000000 ] - [ 0.0000422400000000, -0.0003356200000000, -0.0001604400000000 ] - [ -0.0002438800000000, 0.0005565700000000, 0.0001786400000000 ] - [ 0.0000652600000000, 0.0002495500000000, 0.0003679500000000 ] - [ -0.0001123700000000, -0.0002386500000000, 0.0003133300000000 ] - [ -0.0000503000000000, -0.0003683300000000, 0.0003049700000000 ] - [ 0.0000000000000000, 0.0005534400000000, 0.0000707400000000 ] - [ 0.0000000000000000, 0.0005484100000000, 0.0000568700000000 ] - [ 0.0000000000000000, -0.0005719000000000, 0.0000698800000000 ] - [ 0.0000000000000000, -0.0005252700000000, 0.0000696500000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000384500000000, 0.0002339500000000, 0.0000104500000000 ] - [ -0.0001064800000000, 0.0003483100000000, -0.0000750600000000 ] - [ -0.0000947900000000, 0.0002324400000000, -0.0000969000000000 ] - [ 0.0001027500000000, -0.0001658100000000, 0.0000178300000000 ] - [ 0.0000567400000000, 0.0001471500000000, 0.0001219900000000 ] - [ 0.0000969600000000, 0.0000365800000000, -0.0002746500000000 ] - [ 0.0006195900000000, -0.0006199000000000, 0.0000413500000000 ] - [ -0.0001004500000000, -0.0001851100000000, 0.0000108500000000 ] - [ -0.0002257200000000, 0.0003396700000000, -0.0006769700000000 ] - [ -0.0000877300000000, -0.0000155500000000, 0.0001240600000000 ] - [ 0.0000083000000000, 0.0000020200000000, 0.0000163400000000 ] - [ -0.0006388400000000, 0.0004529800000000, -0.0003165800000000 ] - [ -0.0002233400000000, 0.0000054700000000, 0.0001570800000000 ] - [ -0.0000143800000000, 0.0000085000000000, -0.0000532100000000 ] - [ -0.0000351100000000, -0.0000001300000000, 0.0000040700000000 ] - [ -0.0003516800000000, 0.0002301600000000, 0.0002810500000000 ] - [ -0.0001892300000000, 0.0001829500000000, -0.0000170300000000 ] - [ -0.0001746800000000, 0.0002030300000000, 0.0000019000000000 ] - [ -0.0003727400000000, 0.0002299800000000, -0.0003461200000000 ] - [ 0.0001161000000000, -0.0001743200000000, 0.0000197100000000 ] - [ 0.0001367000000000, 0.0001606000000000, -0.0000402700000000 ] - [ 0.0000690900000000, 0.0001030400000000, 0.0000614300000000 ] - [ -0.0009198600000000, -0.0005896900000000, 0.0005575600000000 ] - [ -0.0001250400000000, -0.0001771000000000, -0.0000000100000000 ] - [ -0.0002078000000000, -0.0001345900000000, 0.0002519100000000 ] - [ -0.0000413200000000, -0.0000152300000000, 0.0000152700000000 ] - [ 0.0000550900000000, -0.0000028100000000, 0.0000008500000000 ] - [ 0.0002373400000000, -0.0000766100000000, 0.0000141000000000 ] - [ 0.0002704300000000, -0.0000846200000000, 0.0000278100000000 ] - [ 0.0000519700000000, -0.0000076800000000, -0.0000015200000000 ] - [ -0.0000501500000000, -0.0000041200000000, 0.0000157800000000 ] - [ -0.0000890000000000, -0.0000880600000000, -0.0001481300000000 ] - [ -0.0002851200000000, -0.0005559800000000, 0.0002005700000000 ] - [ -0.0001435000000000, -0.0003092200000000, -0.0001450900000000 ] - [ 0.0140820800000000, -0.0045254700000000, -0.0123156700000000 ] - [ 0.0004236400000000, 0.0003611300000000, 0.0000295500000000 ] - [ 0.0004313300000000, -0.0003170300000000, -0.0000729700000000 ] - [ 0.0009470500000000, -0.0004146200000000, 0.0004663100000000 ] - [ -0.0011802800000000, 0.0020532400000000, 0.0031966900000000 ] - [ -0.0003835300000000, 0.0003917500000000, 0.0000039900000000 ] - [ 0.0000904700000000, -0.0002851800000000, 0.0000272900000000 ] - [ 0.0007673800000000, -0.0004905800000000, -0.0003371700000000 ] - [ 0.0017827500000000, 0.0020057400000000, 0.0020547400000000 ] - [ 0.0000677100000000, 0.0003529600000000, -0.0000304200000000 ] - [ 0.0003006100000000, -0.0003769100000000, 0.0004080100000000 ] - [ 0.0002331700000000, -0.0002925400000000, 0.0000367300000000 ] - [ 0.0616844500000000, 0.0324119600000000, -0.0088013200000000 ] - [ 0.0000285600000000, 0.0003464900000000, 0.0000505600000000 ] - [ -0.0003728500000000, -0.0003149500000000, -0.0000303600000000 ] - [ -0.0003117500000000, -0.0002089300000000, 0.0000715000000000 ] - [ -0.0000271800000000, -0.0000122100000000, 0.0000447100000000 ] - [ 0.0003971400000000, 0.0003537300000000, 0.0000181000000000 ] - [ 0.0003837400000000, -0.0003832000000000, 0.0000125000000000 ] - [ 0.0004987000000000, -0.0005233700000000, -0.0001604200000000 ] - [ -0.0008737800000000, 0.0000342200000000, 0.0001052500000000 ] - [ -0.0003962000000000, 0.0003542800000000, 0.0000162100000000 ] - [ -0.0000192600000000, -0.0002312400000000, -0.0000168200000000 ] - [ -0.0000929300000000, 0.0000975200000000, 0.0002320800000000 ] - [ -0.0003913400000000, -0.0000349800000000, -0.0003442700000000 ] - [ 0.0000170300000000, 0.0002312300000000, 0.0000381000000000 ] - [ 0.0000303700000000, -0.0000977100000000, -0.0001877100000000 ] - [ -0.0000675400000000, -0.0002118300000000, 0.0000443200000000 ] - [ -0.0001441700000000, -0.0000745200000000, 0.0004353900000000 ] - [ -0.0000002000000000, 0.0002361100000000, 0.0000112900000000 ] - [ 0.0000023400000000, -0.0009273100000000, -0.0005041900000000 ] - [ -0.0000052000000000, -0.0002466200000000, -0.0000054000000000 ] - [ -0.0000365400000000, 0.0002519800000000, 0.0000642000000000 ] - [ 0.0001727900000000, 0.0005226600000000, -0.0010337700000000 ] - [ 0.0016891000000000, 0.0065501400000000, 0.0067501200000000 ] - [ -0.0000068600000000, -0.0002575700000000, -0.0000299100000000 ] - [ 0.0000165700000000, 0.0002237100000000, -0.0001160100000000 ] - [ -0.0000547300000000, 0.0000621000000000, 0.0002870900000000 ] - [ -0.0001757900000000, 0.0004333700000000, 0.0003522600000000 ] - [ -0.0000147000000000, 0.0003769700000000, 0.0001320700000000 ] - [ -0.0004565700000000, -0.0008194900000000, -0.0001550800000000 ] - [ -0.0000163400000000, -0.0004098100000000, 0.0002103200000000 ] - [ -0.0001648400000000, 0.0002759000000000, -0.0004238200000000 ] - [ -0.0000512900000000, 0.0004036700000000, -0.0001816500000000 ] - [ -0.0000097700000000, -0.0004218900000000, -0.0002354300000000 ] - [ -0.0012221300000000, -0.0004500400000000, 0.0000556400000000 ] - [ -0.0000883300000000, 0.0008334200000000, -0.0000334600000000 ] - [ -0.0002030500000000, 0.0009101400000000, -0.0000377600000000 ] - [ 0.0015586100000000, 0.0026443500000000, -0.0028224000000000 ] - [ -0.0000183600000000, -0.0008209000000000, -0.0000132100000000 ] - [ -0.0863272000000000, -0.0367315400000000, 0.0181814300000000 ] - [ 0.0000661300000000, -0.0002992100000000, 0.0002106100000000 ] - [ -0.0001881200000000, 0.0003843300000000, 0.0000913900000000 ] - [ -0.0001880100000000, 0.0002236100000000, 0.0002934700000000 ] - [ -0.0002839500000000, -0.0003250700000000, -0.0011285900000000 ] - [ -0.0001002000000000, -0.0002994500000000, -0.0002348500000000 ] - [ 0.0000374000000000, 0.0002909800000000, -0.0001980800000000 ] - [ -0.0003511200000000, 0.0004873000000000, -0.0001646800000000 ] - [ -0.0001197400000000, 0.0002976000000000, -0.0003287200000000 ] - [ -0.0003293900000000, 0.0002954500000000, -0.0001924400000000 ] - [ -0.0030058400000000, -0.0007156400000000, 0.0007782200000000 ] - [ 0.0000284000000000, -0.0002977000000000, -0.0002371400000000 ] - [ -0.0000883500000000, 0.0003126200000000, 0.0001241900000000 ] - [ -0.0000868700000000, 0.0003172900000000, 0.0001526500000000 ] - [ 0.0099530400000000, 0.0009085100000000, -0.0010598200000000 ] - [ -0.0000890100000000, -0.0002992100000000, 0.0002276600000000 ] - [ -0.0001492300000000, 0.0005601800000000, 0.0000420800000000 ] - [ -0.0000770600000000, 0.0003360800000000, 0.0002758600000000 ] - [ 0.0010362600000000, -0.0049912400000000, -0.0033264900000000 ] - [ -0.0000248100000000, -0.0005474600000000, -0.0000040500000000 ] - [ 0.0002653200000000, -0.0007787100000000, 0.0000936100000000 ] - [ -0.0000180600000000, -0.0002452700000000, -0.0000109900000000 ] - [ 0.0000468900000000, 0.0002303900000000, 0.0000000400000000 ] - [ 0.0000066400000000, 0.0002339800000000, -0.0000244000000000 ] - [ 0.0002177400000000, 0.0001205000000000, -0.0000861100000000 ] - [ 0.0000168800000000, -0.0002341100000000, -0.0000110900000000 ] - [ -0.0000552000000000, 0.0002565800000000, 0.0000063200000000 ] - [ -0.0000713600000000, 0.0002707000000000, -0.0000005400000000 ] - [ 0.0011163300000000, 0.0003171600000000, -0.0000887200000000 ] - [ 0.0000102200000000, 0.0003756000000000, 0.0001718900000000 ] - [ 0.0002498000000000, -0.0002935900000000, 0.0002814600000000 ] - [ 0.0000358400000000, -0.0003526300000000, 0.0001302600000000 ] - [ 0.0002399900000000, 0.0002730700000000, -0.0000142100000000 ] - [ 0.0000444900000000, 0.0003723900000000, -0.0002026700000000 ] - [ 0.0000087900000000, -0.0003765700000000, -0.0001630700000000 ] - [ 0.0002103600000000, -0.0002731400000000, -0.0002316000000000 ] - [ 0.0000075000000000, 0.0007535700000000, 0.0000349300000000 ] - [ -0.0000009200000000, 0.0007148900000000, -0.0000265300000000 ] - [ 0.0004057800000000, -0.0004842900000000, -0.0003194000000000 ] - [ -0.0000014200000000, -0.0007685700000000, -0.0000116000000000 ] - [ 0.0004321300000000, 0.0000061900000000, 0.0001626600000000 ] - [ 0.0000882600000000, -0.0002821400000000, 0.0002264900000000 ] - [ -0.0000758700000000, 0.0002656600000000, 0.0002432000000000 ] - [ -0.0000757400000000, 0.0002733100000000, 0.0001861100000000 ] - [ 0.0001113000000000, -0.0001135100000000, -0.0002682500000000 ] - [ -0.0000828900000000, -0.0002818100000000, -0.0002420600000000 ] - [ 0.0001033000000000, 0.0002807600000000, -0.0002387300000000 ] - [ 0.0001235900000000, 0.0002431700000000, -0.0001649600000000 ] - [ -0.0000863000000000, 0.0002781000000000, -0.0002194400000000 ] - [ -0.0001330600000000, 0.0001277600000000, -0.0002982100000000 ] - [ 0.0003885100000000, -0.0001183900000000, -0.0001767200000000 ] - [ 0.0000853100000000, -0.0002711800000000, -0.0002533400000000 ] - [ 0.0001140200000000, 0.0002458500000000, 0.0002721300000000 ] - [ 0.0001136600000000, 0.0002752100000000, 0.0002667700000000 ] - [ 0.0000376600000000, -0.0001676900000000, 0.0002297500000000 ] - [ -0.0000830400000000, -0.0002835300000000, 0.0002283400000000 ] - [ 0.0000209200000000, 0.0005531200000000, -0.0000084600000000 ] - [ 0.0000886500000000, 0.0005459800000000, 0.0000178300000000 ] - [ 0.0002517600000000, -0.0003360700000000, -0.0000153500000000 ] - [ 0.0000041800000000, -0.0005403700000000, -0.0000042800000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001808200000000, 0.0001185400000000, -0.0000268700000000 ] - [ -0.0001111100000000, -0.0000032100000000, 0.0000481700000000 ] - [ 0.0003157400000000, -0.0005836600000000, 0.0001105800000000 ] - [ 0.0001157900000000, -0.0001851700000000, -0.0000051000000000 ] - [ 0.0001625100000000, 0.0002036900000000, -0.0001091200000000 ] - [ 0.0001220300000000, 0.0003144500000000, 0.0002858600000000 ] - [ -0.0008399000000000, 0.0002662600000000, -0.0000549400000000 ] - [ -0.0001181000000000, -0.0001659400000000, -0.0000249700000000 ] - [ 0.0001526400000000, -0.0003414000000000, 0.0006897200000000 ] - [ 0.0000174000000000, 0.0000151500000000, -0.0001115700000000 ] - [ 0.0000641000000000, -0.0000028600000000, -0.0000312600000000 ] - [ 0.0007053200000000, -0.0004465300000000, 0.0003003300000000 ] - [ 0.0002949800000000, -0.0000048200000000, -0.0001712700000000 ] - [ 0.0000857100000000, -0.0000075400000000, 0.0000380200000000 ] - [ -0.0000365800000000, 0.0000008700000000, 0.0000093000000000 ] - [ 0.0002759600000000, -0.0002375700000000, -0.0002571200000000 ] - [ -0.0000287800000000, 0.0001678600000000, 0.0000034300000000 ] - [ -0.0000436900000000, 0.0001479400000000, -0.0000150400000000 ] - [ 0.0005584200000000, -0.0005626600000000, 0.0003354300000000 ] - [ 0.0001023600000000, -0.0001765100000000, -0.0000069600000000 ] - [ 0.0000813200000000, 0.0001899100000000, 0.0000536000000000 ] - [ 0.0001491300000000, 0.0002483500000000, -0.0000472800000000 ] - [ 0.0006986600000000, 0.0002354400000000, -0.0005645100000000 ] - [ -0.0000932600000000, -0.0001738200000000, -0.0000141300000000 ] - [ 0.0001354300000000, 0.0001341000000000, -0.0002362200000000 ] - [ -0.0000309100000000, 0.0000144200000000, -0.0000010600000000 ] - [ 0.0000165600000000, 0.0000019600000000, -0.0000158200000000 ] - [ -0.0001665600000000, 0.0000733400000000, -0.0000285300000000 ] - [ -0.0001984600000000, 0.0000857000000000, -0.0000409700000000 ] - [ 0.0000206200000000, 0.0000083000000000, -0.0000132400000000 ] - [ -0.0000216700000000, 0.0000048100000000, -0.0000018000000000 ] - [ 0.0000189500000000, 0.0000875800000000, 0.0001630200000000 ] - [ -0.0005193400000000, -0.0001744800000000, -0.0002012200000000 ] - [ -0.0006600100000000, -0.0004181600000000, 0.0001459300000000 ] - [ -0.0133721100000000, 0.0054287600000000, 0.0124828500000000 ] - [ 0.0003827200000000, 0.0003690300000000, -0.0000309800000000 ] - [ 0.0003760100000000, -0.0004149000000000, 0.0000713300000000 ] - [ -0.0001511500000000, -0.0003080800000000, -0.0004603000000000 ] - [ 0.0004040100000000, -0.0012859500000000, -0.0031717700000000 ] - [ -0.0004229800000000, 0.0003382500000000, -0.0000053000000000 ] - [ -0.0000902000000000, -0.0002500200000000, -0.0000410400000000 ] - [ -0.0007651900000000, -0.0000444800000000, 0.0003265600000000 ] - [ -0.0017589400000000, -0.0014540500000000, -0.0020626000000000 ] - [ -0.0000681400000000, 0.0001815600000000, 0.0000163100000000 ] - [ -0.0002997500000000, -0.0001590400000000, -0.0003951200000000 ] - [ -0.0002342400000000, -0.0002405300000000, -0.0000222800000000 ] - [ -0.0596866100000000, -0.0301051900000000, 0.0086840800000000 ] - [ -0.0000284700000000, 0.0001879400000000, -0.0000392900000000 ] - [ -0.0004336000000000, -0.0004150900000000, 0.0000293500000000 ] - [ -0.0004950000000000, -0.0005223100000000, -0.0000707100000000 ] - [ 0.0008341300000000, 0.0007413400000000, -0.0000439500000000 ] - [ 0.0004095100000000, 0.0003761200000000, -0.0000190200000000 ] - [ 0.0004231100000000, -0.0003472400000000, -0.0000128000000000 ] - [ 0.0003077100000000, -0.0002081000000000, 0.0001592100000000 ] - [ 0.0000689200000000, 0.0006946800000000, -0.0001048700000000 ] - [ -0.0004103300000000, 0.0003755700000000, -0.0000173100000000 ] - [ 0.0000192600000000, -0.0003036200000000, 0.0000030700000000 ] - [ 0.0000910100000000, -0.0006377900000000, -0.0002496400000000 ] - [ 0.0003930200000000, 0.0005672100000000, 0.0003276300000000 ] - [ -0.0000171400000000, 0.0003034700000000, -0.0000531200000000 ] - [ -0.0000306200000000, -0.0004384700000000, 0.0002021200000000 ] - [ 0.0000676800000000, -0.0003234300000000, -0.0000325500000000 ] - [ 0.0001454300000000, 0.0006073500000000, -0.0004169600000000 ] - [ 0.0000003400000000, 0.0002983000000000, 0.0000003500000000 ] - [ -0.0000292100000000, 0.0004280000000000, 0.0004965900000000 ] - [ -0.0000184700000000, -0.0002405300000000, 0.0000061700000000 ] - [ 0.0000606300000000, 0.0002368500000000, -0.0000612100000000 ] - [ -0.0001489300000000, -0.0000439900000000, 0.0010507400000000 ] - [ -0.0016830100000000, -0.0070984400000000, -0.0067836300000000 ] - [ 0.0000305300000000, -0.0002295000000000, 0.0000305300000000 ] - [ -0.0000404100000000, 0.0002631600000000, 0.0001165800000000 ] - [ 0.0000308300000000, 0.0004230000000000, -0.0002850500000000 ] - [ 0.0001758000000000, 0.0003351200000000, -0.0000121700000000 ] - [ 0.0000146700000000, 0.0003929100000000, 0.0002105000000000 ] - [ 0.0004524100000000, 0.0000454100000000, 0.0004948600000000 ] - [ 0.0000160700000000, -0.0003601300000000, 0.0001323000000000 ] - [ 0.0001649400000000, 0.0004945400000000, 0.0000815400000000 ] - [ 0.0000517600000000, 0.0003647800000000, -0.0001597800000000 ] - [ 0.0000097000000000, -0.0003472300000000, -0.0001051700000000 ] - [ 0.0012613400000000, -0.0003115900000000, -0.0003854400000000 ] - [ 0.0000880700000000, 0.0007258800000000, 0.0000335600000000 ] - [ 0.0002025400000000, 0.0006483500000000, 0.0000358300000000 ] - [ -0.0015561400000000, -0.0041779200000000, 0.0027921500000000 ] - [ 0.0000185600000000, -0.0007381800000000, 0.0000148800000000 ] - [ 0.0844120000000000, 0.0342310800000000, -0.0177331200000000 ] - [ 0.0000912900000000, -0.0002737200000000, 0.0002615500000000 ] - [ 0.0000297800000000, 0.0001890600000000, 0.0003802400000000 ] - [ 0.0000299200000000, 0.0003494300000000, 0.0001763700000000 ] - [ 0.0001206900000000, -0.0002504800000000, 0.0006547000000000 ] - [ -0.0000577700000000, -0.0002739700000000, -0.0002349400000000 ] - [ 0.0001197600000000, 0.0002828500000000, -0.0002730000000000 ] - [ 0.0005092200000000, 0.0000891400000000, -0.0003109500000000 ] - [ -0.0000381600000000, 0.0002762000000000, -0.0001420100000000 ] - [ 0.0001708400000000, 0.0002772300000000, -0.0002802500000000 ] - [ 0.0031583100000000, 0.0001432300000000, -0.0012017500000000 ] - [ 0.0001298200000000, -0.0002758300000000, -0.0002329000000000 ] - [ 0.0002449700000000, 0.0002610600000000, 0.0003468400000000 ] - [ 0.0002464700000000, 0.0002546700000000, 0.0003163100000000 ] - [ -0.0099251600000000, -0.0014851700000000, 0.0015128700000000 ] - [ -0.0000684700000000, -0.0002737900000000, 0.0002445000000000 ] - [ 0.0001477700000000, 0.0005338400000000, -0.0000411000000000 ] - [ 0.0000778500000000, 0.0007546700000000, -0.0002727400000000 ] - [ -0.0010616700000000, 0.0038710700000000, 0.0033298400000000 ] - [ 0.0000249500000000, -0.0005450000000000, 0.0000038600000000 ] - [ -0.0002879500000000, 0.0002952500000000, -0.0000951700000000 ] - [ -0.0000054600000000, -0.0002416000000000, 0.0000115500000000 ] - [ -0.0000236600000000, 0.0002565600000000, 0.0000002900000000 ] - [ 0.0000166000000000, 0.0002540600000000, 0.0000246300000000 ] - [ -0.0001980000000000, -0.0006080800000000, 0.0000846000000000 ] - [ 0.0000066600000000, -0.0002525900000000, 0.0000115400000000 ] - [ 0.0000320200000000, 0.0002303700000000, -0.0000056900000000 ] - [ 0.0000480200000000, 0.0002171500000000, 0.0000009700000000 ] - [ -0.0011218800000000, 0.0004530200000000, 0.0004336800000000 ] - [ -0.0000101200000000, 0.0003939200000000, 0.0001703900000000 ] - [ -0.0002501000000000, -0.0004754300000000, 0.0000602200000000 ] - [ -0.0000360400000000, -0.0004174000000000, 0.0002127100000000 ] - [ -0.0002396900000000, 0.0004960400000000, -0.0003287900000000 ] - [ -0.0000446600000000, 0.0003970900000000, -0.0001381300000000 ] - [ -0.0000086900000000, -0.0003923600000000, -0.0001777800000000 ] - [ -0.0002104900000000, -0.0004974700000000, -0.0001118200000000 ] - [ -0.0000076200000000, 0.0008054600000000, -0.0000353000000000 ] - [ 0.0000014500000000, 0.0008447300000000, 0.0000270400000000 ] - [ -0.0004016200000000, -0.0010681500000000, 0.0003189600000000 ] - [ 0.0000014700000000, -0.0007903100000000, 0.0000125900000000 ] - [ -0.0002746600000000, -0.0005788400000000, 0.0003075800000000 ] - [ 0.0000691300000000, -0.0002909400000000, 0.0002453600000000 ] - [ -0.0000815400000000, 0.0003078600000000, 0.0002276700000000 ] - [ -0.0000815300000000, 0.0003004800000000, 0.0002853400000000 ] - [ -0.0002699000000000, -0.0004589200000000, -0.0002021700000000 ] - [ -0.0000751500000000, -0.0002915500000000, -0.0002277000000000 ] - [ 0.0000540400000000, 0.0002926400000000, -0.0002325800000000 ] - [ 0.0000321200000000, 0.0003303000000000, -0.0003065300000000 ] - [ -0.0000710200000000, 0.0002952700000000, -0.0002517200000000 ] - [ -0.0000220200000000, 0.0004472900000000, -0.0001756500000000 ] - [ -0.0002305600000000, -0.0004536800000000, -0.0002936700000000 ] - [ 0.0000726600000000, -0.0003022500000000, -0.0002164700000000 ] - [ 0.0000440000000000, 0.0003276200000000, 0.0001983200000000 ] - [ 0.0000439000000000, 0.0002984600000000, 0.0002043900000000 ] - [ -0.0001960500000000, -0.0004046800000000, 0.0002410300000000 ] - [ -0.0000743000000000, -0.0002895200000000, 0.0002436600000000 ] - [ -0.0000208600000000, 0.0005391000000000, 0.0000091100000000 ] - [ -0.0000882000000000, 0.0005476400000000, -0.0000173100000000 ] - [ -0.0002530600000000, -0.0007562700000000, 0.0000150200000000 ] - [ -0.0000041900000000, -0.0005519300000000, 0.0000040500000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000036500000000, 0.0002534900000000, 0.0000017600000000 ] - [ 0.0002105200000000, -0.0000753400000000, -0.0005102900000000 ] - [ 0.0004639500000000, -0.0007626600000000, 0.0001559500000000 ] - [ 0.0001207000000000, -0.0001733000000000, -0.0000396700000000 ] - [ 0.0000197600000000, 0.0002353000000000, 0.0000103300000000 ] - [ -0.0002224200000000, 0.0004358300000000, -0.0001831400000000 ] - [ -0.0000747200000000, -0.0009251500000000, 0.0000919900000000 ] - [ -0.0001202300000000, -0.0001722200000000, -0.0000487300000000 ] - [ -0.0001352500000000, 0.0002230000000000, -0.0004735100000000 ] - [ -0.0000102300000000, -0.0000000300000000, -0.0000549900000000 ] - [ 0.0000398800000000, 0.0000020300000000, -0.0000536700000000 ] - [ 0.0000093500000000, -0.0000468700000000, 0.0002185600000000 ] - [ 0.0000392300000000, 0.0000413000000000, -0.0001283700000000 ] - [ 0.0000248800000000, 0.0000012200000000, -0.0000168600000000 ] - [ -0.0000422400000000, 0.0000005800000000, -0.0000459200000000 ] - [ 0.0003583100000000, -0.0000664100000000, 0.0004191000000000 ] - [ -0.0000688700000000, 0.0001358900000000, -0.0000606600000000 ] - [ -0.0001357000000000, 0.0001125500000000, 0.0000460900000000 ] - [ -0.0003121100000000, 0.0011956900000000, -0.0007748900000000 ] - [ 0.0001303400000000, -0.0001755300000000, -0.0000262400000000 ] - [ 0.0000771200000000, 0.0001362300000000, -0.0000451000000000 ] - [ 0.0000953500000000, 0.0001670500000000, 0.0000780300000000 ] - [ -0.0001964900000000, 0.0000957000000000, -0.0000682100000000 ] - [ -0.0001292300000000, -0.0001745000000000, -0.0000388500000000 ] - [ -0.0001876400000000, -0.0003009000000000, 0.0003500100000000 ] - [ -0.0000585600000000, -0.0000429700000000, -0.0000449200000000 ] - [ 0.0000397000000000, -0.0000355900000000, -0.0000354300000000 ] - [ 0.0003154100000000, -0.0004749600000000, -0.0000858100000000 ] - [ 0.0001024000000000, -0.0001874100000000, 0.0001937700000000 ] - [ 0.0000680400000000, -0.0000426900000000, -0.0000392200000000 ] - [ -0.0000400700000000, -0.0000356200000000, -0.0000239600000000 ] - [ -0.0003825400000000, -0.0003859800000000, 0.0001849700000000 ] - [ -0.0004149300000000, -0.0001199500000000, -0.0002434800000000 ] - [ -0.0007250700000000, -0.0000851900000000, 0.0002588600000000 ] - [ -0.0020756300000000, 0.0259927600000000, 0.0291009300000000 ] - [ 0.0003841200000000, 0.0004259300000000, -0.0001041200000000 ] - [ 0.0004030600000000, -0.0001845700000000, -0.0001997800000000 ] - [ 0.0003713900000000, 0.0002509600000000, 0.0002703700000000 ] - [ 0.0026003400000000, 0.0033941500000000, 0.0000594400000000 ] - [ -0.0003908000000000, 0.0004179400000000, -0.0000869900000000 ] - [ -0.0000030600000000, -0.0002999700000000, -0.0001221600000000 ] - [ 0.0003081900000000, -0.0005164600000000, -0.0000424900000000 ] - [ 0.0003760500000000, 0.0034751900000000, 0.0029872600000000 ] - [ -0.0000431800000000, 0.0005278600000000, -0.0002237500000000 ] - [ -0.0000200000000000, -0.0005247400000000, -0.0001154800000000 ] - [ -0.0000050700000000, -0.0001669300000000, 0.0000150800000000 ] - [ 0.0305909000000000, 0.0276528000000000, -0.0021933200000000 ] - [ 0.0000044100000000, 0.0004280100000000, -0.0000501200000000 ] - [ -0.0004001600000000, -0.0003775500000000, -0.0000520600000000 ] - [ -0.0004138700000000, -0.0003081900000000, 0.0000676000000000 ] - [ 0.0002848800000000, -0.0002328000000000, 0.0002096500000000 ] - [ 0.0003940100000000, 0.0003589500000000, -0.0000640400000000 ] - [ 0.0004178100000000, -0.0003803400000000, -0.0000517100000000 ] - [ 0.0002374300000000, -0.0001962300000000, 0.0000891500000000 ] - [ 0.0001377100000000, -0.0003176300000000, 0.0000097000000000 ] - [ -0.0003964400000000, 0.0003490900000000, -0.0000538700000000 ] - [ 0.0000026200000000, -0.0002240900000000, -0.0000823400000000 ] - [ 0.0000384500000000, 0.0003061600000000, 0.0006221200000000 ] - [ -0.0000720700000000, -0.0001745700000000, -0.0005104000000000 ] - [ -0.0000195800000000, 0.0002309400000000, -0.0000439000000000 ] - [ 0.0000274400000000, -0.0000878400000000, -0.0002136900000000 ] - [ -0.0000049300000000, -0.0001337200000000, 0.0000290400000000 ] - [ -0.0000092100000000, -0.0002174600000000, 0.0006626500000000 ] - [ -0.0000022000000000, 0.0002380200000000, -0.0000769700000000 ] - [ -0.0006372200000000, -0.0007904600000000, -0.0002655800000000 ] - [ -0.0000026800000000, -0.0002739300000000, 0.0000505400000000 ] - [ 0.0000056800000000, 0.0001988700000000, 0.0000925000000000 ] - [ -0.0001042800000000, -0.0001561000000000, 0.0000422800000000 ] - [ 0.0016609100000000, 0.0035909400000000, 0.0043074300000000 ] - [ 0.0000024800000000, -0.0002796200000000, 0.0000591500000000 ] - [ -0.0000220900000000, 0.0001848000000000, 0.0000523600000000 ] - [ 0.0000700300000000, 0.0001778000000000, -0.0000542400000000 ] - [ -0.0000495500000000, 0.0007952500000000, 0.0000440000000000 ] - [ -0.0000011800000000, 0.0004341600000000, 0.0002566200000000 ] - [ -0.0002925000000000, -0.0008992400000000, -0.0005537100000000 ] - [ 0.0000419300000000, -0.0005114900000000, 0.0003812900000000 ] - [ 0.0000251500000000, 0.0008753000000000, -0.0000756400000000 ] - [ 0.0000098100000000, 0.0003802000000000, -0.0001545500000000 ] - [ -0.0000009800000000, -0.0004331600000000, -0.0001744200000000 ] - [ 0.0039118600000000, 0.0031707900000000, 0.0020063300000000 ] - [ -0.0000049600000000, 0.0008360700000000, 0.0001054100000000 ] - [ -0.0000776000000000, 0.0008630600000000, -0.0001426900000000 ] - [ 0.0051238100000000, 0.0029184800000000, -0.0054646600000000 ] - [ 0.0000008100000000, -0.0008751600000000, 0.0000970200000000 ] - [ -0.0359360400000000, -0.0704529500000000, -0.0326167200000000 ] - [ 0.0000635900000000, -0.0003024900000000, 0.0002732600000000 ] - [ -0.0001395200000000, 0.0002127300000000, 0.0004564900000000 ] - [ 0.0000207700000000, 0.0002134000000000, 0.0002245900000000 ] - [ -0.0000402200000000, -0.0013191800000000, -0.0002197200000000 ] - [ -0.0000638800000000, -0.0003382100000000, -0.0001660400000000 ] - [ 0.0000721200000000, 0.0002982000000000, -0.0001108200000000 ] - [ -0.0001218000000000, 0.0007604300000000, -0.0004433600000000 ] - [ -0.0000657300000000, 0.0002861800000000, -0.0000934500000000 ] - [ -0.0000674000000000, 0.0001967100000000, -0.0003373700000000 ] - [ -0.0003590200000000, -0.0021232300000000, -0.0007964200000000 ] - [ 0.0000656400000000, -0.0003640900000000, -0.0001508900000000 ] - [ 0.0000447900000000, 0.0001978200000000, 0.0002892800000000 ] - [ 0.0000511500000000, 0.0001979300000000, 0.0001549000000000 ] - [ -0.0012782100000000, -0.0020232900000000, -0.0001403600000000 ] - [ -0.0000637100000000, -0.0003072500000000, 0.0002698900000000 ] - [ -0.0000064900000000, 0.0004818900000000, 0.0000760100000000 ] - [ 0.0000919600000000, 0.0002745900000000, -0.0002127200000000 ] - [ -0.0047958200000000, 0.0033771500000000, 0.0047948100000000 ] - [ 0.0000032900000000, -0.0005806300000000, 0.0000201600000000 ] - [ -0.0000926400000000, 0.0002552000000000, -0.0001926500000000 ] - [ -0.0000186600000000, -0.0002284400000000, 0.0000370600000000 ] - [ 0.0000401300000000, 0.0002590900000000, 0.0000231100000000 ] - [ 0.0003239300000000, 0.0003270500000000, 0.0000647000000000 ] - [ -0.0000122400000000, 0.0000154100000000, -0.0002322500000000 ] - [ 0.0000192600000000, -0.0002318000000000, 0.0000408500000000 ] - [ -0.0000482300000000, 0.0002668600000000, 0.0000194800000000 ] - [ -0.0001076900000000, 0.0002727100000000, 0.0000053500000000 ] - [ 0.0004201900000000, 0.0000549100000000, -0.0001978500000000 ] - [ 0.0000006500000000, 0.0003917400000000, 0.0002310800000000 ] - [ 0.0000668900000000, -0.0001748700000000, 0.0001989800000000 ] - [ -0.0000057100000000, -0.0003902900000000, 0.0001941600000000 ] - [ 0.0000404500000000, 0.0002139200000000, -0.0000136600000000 ] - [ -0.0000019300000000, 0.0003592500000000, -0.0001733100000000 ] - [ -0.0000006100000000, -0.0003529000000000, -0.0001024900000000 ] - [ 0.0000705400000000, -0.0001923500000000, -0.0002721500000000 ] - [ -0.0000029600000000, 0.0007146900000000, 0.0000483400000000 ] - [ 0.0000095500000000, 0.0006836200000000, -0.0000817600000000 ] - [ 0.0003437600000000, -0.0002248100000000, -0.0002663100000000 ] - [ 0.0000023400000000, -0.0007660000000000, 0.0000376600000000 ] - [ 0.0003693100000000, 0.0001013800000000, 0.0001422600000000 ] - [ 0.0000807900000000, -0.0002716900000000, 0.0002786000000000 ] - [ -0.0000899900000000, 0.0002598000000000, 0.0003042400000000 ] - [ -0.0000976100000000, 0.0002598200000000, 0.0002427100000000 ] - [ -0.0002494700000000, 0.0000785000000000, -0.0002368300000000 ] - [ -0.0000815200000000, -0.0002891900000000, -0.0002124700000000 ] - [ 0.0000823000000000, 0.0002857800000000, -0.0002192800000000 ] - [ 0.0001199400000000, 0.0001597100000000, -0.0003810600000000 ] - [ -0.0000849600000000, 0.0002840100000000, -0.0002204500000000 ] - [ -0.0002386800000000, 0.0003055300000000, -0.0003006000000000 ] - [ 0.0002443200000000, -0.0000005500000000, -0.0002313600000000 ] - [ 0.0000921900000000, -0.0002957400000000, -0.0002032000000000 ] - [ 0.0000883300000000, 0.0002481500000000, 0.0003159100000000 ] - [ 0.0001176100000000, 0.0002481000000000, 0.0002264700000000 ] - [ -0.0001947000000000, -0.0000164500000000, 0.0001772500000000 ] - [ -0.0000792900000000, -0.0002734500000000, 0.0002734000000000 ] - [ 0.0000005800000000, 0.0005482900000000, 0.0000129900000000 ] - [ 0.0000086900000000, 0.0005126200000000, -0.0000032500000000 ] - [ 0.0001428900000000, -0.0002060500000000, -0.0000334500000000 ] - [ 0.0000024900000000, -0.0005420800000000, 0.0000155100000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002223300000000, 0.0000987500000000, -0.0000162700000000 ] - [ -0.0004286300000000, 0.0004204600000000, 0.0004845400000000 ] - [ -0.0002465400000000, 0.0004144900000000, -0.0001433600000000 ] - [ 0.0000979400000000, -0.0001779800000000, 0.0000529800000000 ] - [ 0.0001991100000000, 0.0001160800000000, 0.0000032000000000 ] - [ 0.0004406500000000, -0.0000837900000000, 0.0001967700000000 ] - [ -0.0001453300000000, 0.0005759300000000, -0.0001059200000000 ] - [ -0.0000983100000000, -0.0001792100000000, 0.0000351900000000 ] - [ 0.0000620300000000, -0.0002243800000000, 0.0004863500000000 ] - [ -0.0000616600000000, -0.0000007300000000, 0.0000695200000000 ] - [ 0.0000322900000000, -0.0000027100000000, 0.0000392700000000 ] - [ 0.0000628900000000, 0.0000451700000000, -0.0002333800000000 ] - [ 0.0000317500000000, -0.0000408200000000, 0.0001140300000000 ] - [ 0.0000472000000000, -0.0000003500000000, 0.0000025000000000 ] - [ -0.0000303600000000, 0.0000003500000000, 0.0000599600000000 ] - [ -0.0004340900000000, 0.0000764200000000, -0.0004043400000000 ] - [ -0.0001501600000000, 0.0002155500000000, 0.0000474900000000 ] - [ -0.0000829000000000, 0.0002389900000000, -0.0000596900000000 ] - [ 0.0005101200000000, -0.0015435700000000, 0.0007693300000000 ] - [ 0.0000885200000000, -0.0001756900000000, 0.0000396300000000 ] - [ 0.0001415400000000, 0.0002150200000000, 0.0000587700000000 ] - [ 0.0001235100000000, 0.0001846600000000, -0.0000647100000000 ] - [ -0.0000222300000000, -0.0004453900000000, 0.0000537300000000 ] - [ -0.0000895500000000, -0.0001767700000000, 0.0000253100000000 ] - [ 0.0001145800000000, 0.0002990700000000, -0.0003333200000000 ] - [ -0.0000141900000000, 0.0000422900000000, 0.0000590400000000 ] - [ 0.0000323400000000, 0.0000350100000000, 0.0000208900000000 ] - [ -0.0002411100000000, 0.0004748200000000, 0.0000716800000000 ] - [ -0.0000295900000000, 0.0001885300000000, -0.0002077200000000 ] - [ 0.0000053200000000, 0.0000435300000000, 0.0000246100000000 ] - [ -0.0000319100000000, 0.0000365800000000, 0.0000383900000000 ] - [ 0.0003109400000000, 0.0003869000000000, -0.0001695500000000 ] - [ -0.0003902300000000, -0.0006116800000000, 0.0002445600000000 ] - [ -0.0000770500000000, -0.0006485500000000, -0.0002609000000000 ] - [ 0.0028711700000000, -0.0256403000000000, -0.0301115700000000 ] - [ 0.0004222700000000, 0.0003042600000000, 0.0001039000000000 ] - [ 0.0004041700000000, -0.0005464500000000, 0.0001996500000000 ] - [ 0.0004287200000000, -0.0009846600000000, -0.0002632900000000 ] - [ -0.0034160800000000, -0.0026787800000000, -0.0000688200000000 ] - [ -0.0004156700000000, 0.0003121800000000, 0.0000868400000000 ] - [ 0.0000034800000000, -0.0002344800000000, 0.0001097100000000 ] - [ -0.0003101400000000, -0.0000209500000000, 0.0000296000000000 ] - [ -0.0003561900000000, -0.0029162700000000, -0.0029879500000000 ] - [ 0.0000427700000000, 0.0000083500000000, 0.0002097300000000 ] - [ 0.0000212800000000, -0.0000092300000000, 0.0001304500000000 ] - [ 0.0000044400000000, -0.0003689700000000, -0.0000028100000000 ] - [ -0.0296174000000000, -0.0267839900000000, 0.0022343900000000 ] - [ -0.0000042500000000, 0.0001073400000000, 0.0000626200000000 ] - [ -0.0004061500000000, -0.0003515900000000, 0.0000513400000000 ] - [ -0.0003912900000000, -0.0004194000000000, -0.0000657200000000 ] - [ 0.0005218300000000, 0.0009639500000000, -0.0002083000000000 ] - [ 0.0004124400000000, 0.0003711400000000, 0.0000641500000000 ] - [ 0.0003885800000000, -0.0003492500000000, 0.0000516700000000 ] - [ 0.0005678600000000, -0.0005325100000000, -0.0000882700000000 ] - [ -0.0009440700000000, 0.0010483400000000, -0.0000107400000000 ] - [ -0.0004100800000000, 0.0003810300000000, 0.0000537200000000 ] - [ -0.0000027200000000, -0.0003096800000000, 0.0000692800000000 ] - [ -0.0000386500000000, -0.0008389400000000, -0.0006332400000000 ] - [ 0.0000727300000000, 0.0007082500000000, 0.0004973000000000 ] - [ 0.0000195900000000, 0.0003036200000000, 0.0000306300000000 ] - [ -0.0000277000000000, -0.0004453500000000, 0.0002261200000000 ] - [ 0.0000045500000000, -0.0003998500000000, -0.0000151700000000 ] - [ 0.0000086000000000, 0.0007513100000000, -0.0006505600000000 ] - [ 0.0000022700000000, 0.0002964500000000, 0.0000894600000000 ] - [ 0.0006187500000000, 0.0003057600000000, 0.0002676200000000 ] - [ -0.0000208200000000, -0.0002130600000000, -0.0000504400000000 ] - [ 0.0000178100000000, 0.0002895300000000, -0.0000913400000000 ] - [ 0.0001329600000000, 0.0006400100000000, -0.0000433700000000 ] - [ -0.0016733900000000, -0.0041577300000000, -0.0043627200000000 ] - [ 0.0000208800000000, -0.0002073100000000, -0.0000594100000000 ] - [ -0.0000014000000000, 0.0003026700000000, -0.0000523400000000 ] - [ -0.0000942200000000, 0.0003097600000000, 0.0000543200000000 ] - [ 0.0000495500000000, -0.0000244000000000, 0.0002973800000000 ] - [ 0.0000011100000000, 0.0003355100000000, 0.0000848400000000 ] - [ 0.0002889700000000, 0.0001273400000000, 0.0008897500000000 ] - [ -0.0000417900000000, -0.0002587900000000, -0.0000393300000000 ] - [ -0.0000257000000000, -0.0001055100000000, -0.0002667600000000 ] - [ -0.0000095700000000, 0.0003895000000000, -0.0001868700000000 ] - [ 0.0000009400000000, -0.0003363400000000, -0.0001671200000000 ] - [ -0.0038473300000000, -0.0038654300000000, -0.0023042100000000 ] - [ 0.0000046500000000, 0.0007230900000000, -0.0001060900000000 ] - [ 0.0000787200000000, 0.0006953500000000, 0.0001436300000000 ] - [ -0.0050596300000000, -0.0044388200000000, 0.0053916900000000 ] - [ -0.0000006800000000, -0.0006844700000000, -0.0000959900000000 ] - [ 0.0350202100000000, 0.0699059600000000, 0.0342126700000000 ] - [ 0.0000937900000000, -0.0002707100000000, 0.0001981000000000 ] - [ -0.0000183400000000, 0.0003617800000000, 0.0000134900000000 ] - [ -0.0001793000000000, 0.0003622400000000, 0.0002453500000000 ] - [ -0.0001196200000000, 0.0007448800000000, -0.0002506400000000 ] - [ -0.0000942300000000, -0.0002350600000000, -0.0003042000000000 ] - [ 0.0000848800000000, 0.0002756400000000, -0.0003609400000000 ] - [ 0.0002810300000000, -0.0002049500000000, -0.0000220600000000 ] - [ -0.0000919400000000, 0.0002876300000000, -0.0003788400000000 ] - [ -0.0000904900000000, 0.0003782700000000, -0.0001338600000000 ] - [ 0.0005043300000000, 0.0015547500000000, 0.0003518400000000 ] - [ 0.0000923000000000, -0.0002094600000000, -0.0003194500000000 ] - [ 0.0001121600000000, 0.0003763200000000, 0.0001820000000000 ] - [ 0.0001075200000000, 0.0003763600000000, 0.0003142300000000 ] - [ 0.0011108800000000, 0.0014432800000000, 0.0006183200000000 ] - [ -0.0000938200000000, -0.0002659800000000, 0.0002015400000000 ] - [ 0.0000052700000000, 0.0006120700000000, -0.0000756500000000 ] - [ -0.0000967700000000, 0.0008231100000000, 0.0002093500000000 ] - [ 0.0048593500000000, -0.0045096000000000, -0.0048512200000000 ] - [ -0.0000032800000000, -0.0005116500000000, -0.0000206400000000 ] - [ 0.0000682000000000, -0.0007402300000000, 0.0001908900000000 ] - [ -0.0000050800000000, -0.0002582700000000, -0.0000371900000000 ] - [ -0.0000164900000000, 0.0002278400000000, -0.0000232700000000 ] - [ -0.0002992300000000, 0.0001600800000000, -0.0000643500000000 ] - [ 0.0000297600000000, -0.0005057400000000, 0.0002300800000000 ] - [ 0.0000044200000000, -0.0002547200000000, -0.0000411100000000 ] - [ 0.0000246800000000, 0.0002202600000000, -0.0000192600000000 ] - [ 0.0000839300000000, 0.0002141300000000, -0.0000050900000000 ] - [ -0.0004178600000000, 0.0007155200000000, 0.0005355300000000 ] - [ -0.0000006100000000, 0.0003776800000000, 0.0001104000000000 ] - [ -0.0000669800000000, -0.0005938100000000, 0.0001424000000000 ] - [ 0.0000057300000000, -0.0003789900000000, 0.0001478100000000 ] - [ -0.0000392100000000, 0.0005552400000000, -0.0003272600000000 ] - [ 0.0000020500000000, 0.0004101900000000, -0.0001687000000000 ] - [ 0.0000006900000000, -0.0004162200000000, -0.0002390400000000 ] - [ -0.0000700400000000, -0.0005762700000000, -0.0000692900000000 ] - [ 0.0000029000000000, 0.0008441000000000, -0.0000484300000000 ] - [ -0.0000093300000000, 0.0008751200000000, 0.0000810000000000 ] - [ -0.0003441600000000, -0.0013335000000000, 0.0002664400000000 ] - [ -0.0000023200000000, -0.0007927900000000, -0.0000373800000000 ] - [ -0.0002110000000000, -0.0006741100000000, 0.0003292300000000 ] - [ 0.0000766300000000, -0.0003015600000000, 0.0001927600000000 ] - [ -0.0000676000000000, 0.0003135200000000, 0.0001666600000000 ] - [ -0.0000603000000000, 0.0003135200000000, 0.0002273000000000 ] - [ 0.0000912900000000, -0.0006521500000000, -0.0002334700000000 ] - [ -0.0000765000000000, -0.0002839700000000, -0.0002579600000000 ] - [ 0.0000751400000000, 0.0002876700000000, -0.0002523400000000 ] - [ 0.0000375000000000, 0.0004131700000000, -0.0000915700000000 ] - [ -0.0000725400000000, 0.0002894400000000, -0.0002509400000000 ] - [ 0.0000761300000000, 0.0002701200000000, -0.0001715200000000 ] - [ -0.0000864000000000, -0.0005723200000000, -0.0002393200000000 ] - [ 0.0000657400000000, -0.0002774600000000, -0.0002673900000000 ] - [ 0.0000698500000000, 0.0003251900000000, 0.0001546800000000 ] - [ 0.0000405900000000, 0.0003252400000000, 0.0002438400000000 ] - [ 0.0000373100000000, -0.0005568200000000, 0.0002946900000000 ] - [ -0.0000780600000000, -0.0002997500000000, 0.0001981700000000 ] - [ -0.0000005400000000, 0.0005440300000000, -0.0000124400000000 ] - [ -0.0000083100000000, 0.0005791500000000, 0.0000031200000000 ] - [ -0.0001421300000000, -0.0008866000000000, 0.0000330000000000 ] - [ -0.0000025300000000, -0.0005500100000000, -0.0000160000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002201700000000, 0.0004472100000000, -0.0006297800000000 ] - [ 0.0001179700000000, 0.0003869700000000, -0.0004236900000000 ] - [ 0.0003301800000000, -0.0003793100000000, 0.0001959100000000 ] - [ 0.0001223600000000, -0.0001733000000000, -0.0001403200000000 ] - [ 0.0002066400000000, 0.0001742600000000, -0.0001775500000000 ] - [ -0.0002955800000000, 0.0005208600000000, -0.0004051600000000 ] - [ -0.0002592100000000, -0.0002254800000000, 0.0001315000000000 ] - [ -0.0001192600000000, -0.0001773900000000, -0.0001447800000000 ] - [ -0.0003740100000000, -0.0003663900000000, 0.0001240700000000 ] - [ -0.0000395300000000, 0.0000113000000000, -0.0000695400000000 ] - [ 0.0000506600000000, -0.0000111600000000, -0.0001289500000000 ] - [ 0.0000167200000000, 0.0001443000000000, 0.0001010600000000 ] - [ 0.0001251000000000, -0.0001004100000000, 0.0000180200000000 ] - [ 0.0000244300000000, 0.0000197000000000, -0.0000944400000000 ] - [ -0.0000846500000000, -0.0000182100000000, -0.0001919100000000 ] - [ -0.0005132800000000, -0.0001094800000000, -0.0000682600000000 ] - [ -0.0000316900000000, 0.0001682600000000, -0.0000400100000000 ] - [ -0.0001849700000000, 0.0000671900000000, 0.0000511500000000 ] - [ 0.0007419300000000, -0.0006287800000000, 0.0018595300000000 ] - [ 0.0001147300000000, -0.0001708000000000, -0.0001310500000000 ] - [ 0.0000227200000000, 0.0001251100000000, -0.0000248500000000 ] - [ 0.0001761200000000, 0.0001047200000000, 0.0000440400000000 ] - [ -0.0001023300000000, -0.0002407100000000, 0.0003948200000000 ] - [ -0.0001168200000000, -0.0001735100000000, -0.0001381900000000 ] - [ 0.0002318600000000, 0.0001995800000000, -0.0000359500000000 ] - [ -0.0000544300000000, -0.0000228600000000, -0.0001601300000000 ] - [ 0.0000170600000000, -0.0000210800000000, -0.0001157700000000 ] - [ 0.0003576000000000, -0.0006548400000000, 0.0003704900000000 ] - [ -0.0001822500000000, 0.0001713900000000, 0.0000270600000000 ] - [ 0.0000629000000000, -0.0000303600000000, -0.0001414200000000 ] - [ -0.0000153300000000, -0.0000221800000000, -0.0001008900000000 ] - [ -0.0005093800000000, -0.0005064300000000, 0.0007648900000000 ] - [ -0.0000560700000000, -0.0005470200000000, -0.0000711500000000 ] - [ -0.0009809200000000, 0.0000674600000000, 0.0002771000000000 ] - [ -0.0086590800000000, 0.0323042500000000, 0.0603528900000000 ] - [ 0.0003902400000000, 0.0003892200000000, -0.0003094700000000 ] - [ 0.0005187900000000, -0.0007929800000000, -0.0002827500000000 ] - [ 0.0009554300000000, -0.0000757400000000, -0.0000819000000000 ] - [ 0.0012866000000000, 0.0017299900000000, 0.0017316800000000 ] - [ -0.0003877600000000, 0.0003979600000000, -0.0002880400000000 ] - [ 0.0000318100000000, -0.0004184500000000, -0.0002135500000000 ] - [ -0.0000491300000000, -0.0002113200000000, 0.0002700500000000 ] - [ 0.0036569900000000, 0.0024252800000000, -0.0002902300000000 ] - [ -0.0000501900000000, 0.0005033600000000, -0.0004775800000000 ] - [ 0.0000938400000000, -0.0004242400000000, -0.0002350400000000 ] - [ 0.0000818900000000, -0.0001319200000000, -0.0002642800000000 ] - [ -0.0136963200000000, -0.0054426800000000, 0.0120127000000000 ] - [ 0.0000163900000000, 0.0002733100000000, -0.0003151800000000 ] - [ -0.0004050900000000, -0.0003100200000000, -0.0002432300000000 ] - [ -0.0005851000000000, -0.0004618300000000, -0.0004888300000000 ] - [ 0.0004422100000000, 0.0005284300000000, 0.0000902600000000 ] - [ 0.0004103300000000, 0.0003740200000000, -0.0002167600000000 ] - [ 0.0004423200000000, -0.0004120800000000, -0.0001388800000000 ] - [ 0.0002029600000000, -0.0000783200000000, -0.0001250700000000 ] - [ -0.0003804400000000, 0.0004798700000000, 0.0001034700000000 ] - [ -0.0004033100000000, 0.0003551800000000, -0.0002012500000000 ] - [ -0.0000209900000000, -0.0003094500000000, -0.0002238100000000 ] - [ 0.0002566000000000, 0.0003545800000000, 0.0001142700000000 ] - [ 0.0001007100000000, 0.0003013200000000, 0.0001095900000000 ] - [ -0.0000164700000000, 0.0002010600000000, -0.0001760800000000 ] - [ -0.0000958700000000, -0.0004348700000000, -0.0000024100000000 ] - [ 0.0000210200000000, -0.0000882300000000, -0.0001599800000000 ] - [ 0.0000588700000000, 0.0002661700000000, 0.0002171800000000 ] - [ 0.0000099300000000, 0.0002499200000000, -0.0002277900000000 ] - [ -0.0002376400000000, -0.0006920700000000, -0.0006236400000000 ] - [ -0.0000090600000000, -0.0002628100000000, 0.0001636900000000 ] - [ 0.0001490000000000, 0.0005943100000000, 0.0005113900000000 ] - [ -0.0004763000000000, -0.0000092700000000, 0.0003739800000000 ] - [ -0.0000370900000000, -0.0005964000000000, -0.0013588800000000 ] - [ 0.0000044200000000, -0.0002677900000000, 0.0001750900000000 ] - [ -0.0001146700000000, 0.0002667300000000, 0.0001049500000000 ] - [ 0.0000692900000000, 0.0001464100000000, -0.0000241800000000 ] - [ -0.0000128500000000, 0.0006943300000000, -0.0001909000000000 ] - [ -0.0000144000000000, 0.0004955100000000, 0.0003821800000000 ] - [ -0.0004712200000000, -0.0009462500000000, 0.0001273000000000 ] - [ 0.0000332000000000, -0.0005510400000000, 0.0005244300000000 ] - [ 0.0000197600000000, 0.0005088400000000, -0.0000904900000000 ] - [ -0.0000266100000000, 0.0003527400000000, -0.0000256400000000 ] - [ -0.0000149200000000, -0.0003213100000000, 0.0001005500000000 ] - [ 0.0059938600000000, 0.0059405100000000, 0.0022243100000000 ] - [ -0.0000258400000000, 0.0008493900000000, 0.0001129000000000 ] - [ 0.0000486700000000, 0.0007219100000000, 0.0000343400000000 ] - [ -0.0031383900000000, -0.0050115200000000, 0.0003821900000000 ] - [ -0.0000084700000000, -0.0008418800000000, 0.0002655000000000 ] - [ 0.0180661500000000, -0.0327510000000000, -0.0860962800000000 ] - [ 0.0000541300000000, -0.0002506900000000, 0.0003941500000000 ] - [ -0.0001379400000000, 0.0002982000000000, 0.0003491800000000 ] - [ 0.0000656300000000, 0.0000648600000000, 0.0003494200000000 ] - [ -0.0009698900000000, -0.0003025700000000, -0.0005881300000000 ] - [ -0.0000798200000000, -0.0003573700000000, -0.0000447800000000 ] - [ 0.0000420900000000, 0.0004131400000000, -0.0001382900000000 ] - [ 0.0000062000000000, 0.0000776000000000, -0.0004034900000000 ] - [ -0.0001724800000000, 0.0004304800000000, -0.0000787500000000 ] - [ -0.0000353400000000, 0.0001865600000000, -0.0003696700000000 ] - [ -0.0009015000000000, 0.0002883700000000, 0.0101205300000000 ] - [ 0.0000818200000000, -0.0003724400000000, 0.0000098800000000 ] - [ -0.0000015900000000, 0.0003679500000000, 0.0002974400000000 ] - [ -0.0000327200000000, 0.0002355000000000, 0.0002965600000000 ] - [ 0.0011916300000000, -0.0006698100000000, -0.0019620500000000 ] - [ -0.0000711600000000, -0.0002540300000000, 0.0003939100000000 ] - [ -0.0002572800000000, 0.0007961300000000, 0.0000441100000000 ] - [ 0.0006021000000000, 0.0001312300000000, 0.0003257500000000 ] - [ -0.0018992600000000, 0.0020593100000000, 0.0009066000000000 ] - [ -0.0000044300000000, -0.0005653100000000, 0.0000643600000000 ] - [ -0.0001788300000000, -0.0002487300000000, -0.0003158000000000 ] - [ -0.0000157300000000, -0.0002300100000000, 0.0001456700000000 ] - [ -0.0000595100000000, 0.0002203300000000, 0.0000958900000000 ] - [ 0.0004322700000000, 0.0004227100000000, 0.0001956700000000 ] - [ 0.0000468700000000, -0.0003043900000000, -0.0002040600000000 ] - [ 0.0000138200000000, -0.0002316100000000, 0.0001456900000000 ] - [ 0.0000287000000000, 0.0002103500000000, 0.0000864200000000 ] - [ -0.0000988500000000, 0.0003524000000000, 0.0001099500000000 ] - [ -0.0001258400000000, 0.0001755800000000, -0.0000344100000000 ] - [ 0.0000147300000000, 0.0004372300000000, 0.0003395600000000 ] - [ -0.0000245000000000, -0.0003553300000000, 0.0000764800000000 ] - [ 0.0000072200000000, -0.0003923000000000, 0.0002928000000000 ] - [ 0.0001214600000000, 0.0004169100000000, -0.0002165700000000 ] - [ 0.0000001300000000, 0.0002875600000000, -0.0000121800000000 ] - [ 0.0000142000000000, -0.0003108700000000, 0.0000021900000000 ] - [ -0.0000164400000000, -0.0004775000000000, -0.0003660600000000 ] - [ -0.0000056400000000, 0.0007808700000000, 0.0000761000000000 ] - [ -0.0000281400000000, 0.0006746000000000, 0.0000679700000000 ] - [ 0.0001119700000000, -0.0006672000000000, -0.0000575300000000 ] - [ 0.0000020400000000, -0.0007606700000000, 0.0001313300000000 ] - [ 0.0000069200000000, -0.0003819400000000, 0.0001298800000000 ] - [ 0.0000701100000000, -0.0002454000000000, 0.0003739600000000 ] - [ -0.0000302500000000, 0.0002804500000000, 0.0003796900000000 ] - [ -0.0000874000000000, 0.0002192300000000, 0.0003805200000000 ] - [ -0.0001119400000000, -0.0002871800000000, -0.0003212500000000 ] - [ -0.0000869700000000, -0.0003110500000000, -0.0001339100000000 ] - [ 0.0000824700000000, 0.0003049200000000, -0.0001591300000000 ] - [ 0.0000071000000000, 0.0001430400000000, -0.0001939000000000 ] - [ -0.0000634100000000, 0.0003035900000000, -0.0001388100000000 ] - [ -0.0001426800000000, 0.0002244100000000, 0.0002334000000000 ] - [ 0.0000211500000000, -0.0002922400000000, -0.0003291000000000 ] - [ 0.0000981900000000, -0.0003203900000000, -0.0001205400000000 ] - [ 0.0001106700000000, 0.0002968100000000, 0.0002955000000000 ] - [ 0.0001165300000000, 0.0002074800000000, 0.0002954000000000 ] - [ -0.0000734500000000, -0.0003473100000000, 0.0001279000000000 ] - [ -0.0000718100000000, -0.0002505500000000, 0.0003556300000000 ] - [ 0.0000270600000000, 0.0004971500000000, 0.0000703600000000 ] - [ -0.0000901100000000, 0.0006815300000000, 0.0001680300000000 ] - [ -0.0001069900000000, -0.0006463600000000, -0.0000293800000000 ] - [ 0.0000015100000000, -0.0005429900000000, 0.0000512200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000009400000000, -0.0001013000000000, 0.0006222000000000 ] - [ -0.0003411200000000, -0.0000343400000000, 0.0004099200000000 ] - [ -0.0001119900000000, 0.0000301000000000, -0.0001820000000000 ] - [ 0.0000968000000000, -0.0001768400000000, 0.0001536900000000 ] - [ 0.0000129200000000, 0.0001748800000000, 0.0001910500000000 ] - [ 0.0005161400000000, -0.0001717200000000, 0.0004198900000000 ] - [ 0.0000406200000000, -0.0001238500000000, -0.0001446900000000 ] - [ -0.0000998500000000, -0.0001728200000000, 0.0001315600000000 ] - [ 0.0003054600000000, 0.0003665500000000, -0.0001087000000000 ] - [ -0.0000321800000000, -0.0000123700000000, 0.0000857500000000 ] - [ 0.0000209100000000, 0.0000103400000000, 0.0001146100000000 ] - [ 0.0000566500000000, -0.0001459000000000, -0.0001140800000000 ] - [ -0.0000538300000000, 0.0001018100000000, -0.0000333700000000 ] - [ 0.0000465900000000, -0.0000189000000000, 0.0000800600000000 ] - [ 0.0000133200000000, 0.0000190500000000, 0.0002068800000000 ] - [ 0.0004574800000000, 0.0001226400000000, 0.0000671200000000 ] - [ -0.0001879500000000, 0.0001811100000000, 0.0000261900000000 ] - [ -0.0000348100000000, 0.0002816300000000, -0.0000638900000000 ] - [ -0.0005536400000000, 0.0002875700000000, -0.0018598300000000 ] - [ 0.0001047900000000, -0.0001791700000000, 0.0001445600000000 ] - [ 0.0001971700000000, 0.0002246900000000, 0.0000380500000000 ] - [ 0.0000437800000000, 0.0002441200000000, -0.0000301400000000 ] - [ -0.0001142000000000, -0.0001078400000000, -0.0004103900000000 ] - [ -0.0001025100000000, -0.0001765500000000, 0.0001247800000000 ] - [ -0.0003026600000000, -0.0002003800000000, 0.0000489200000000 ] - [ -0.0000167000000000, 0.0000223900000000, 0.0001746500000000 ] - [ 0.0000542900000000, 0.0000204700000000, 0.0001013000000000 ] - [ -0.0002872200000000, 0.0006545700000000, -0.0003823300000000 ] - [ 0.0002533500000000, -0.0001709800000000, -0.0000432200000000 ] - [ 0.0000081900000000, 0.0000312900000000, 0.0001268900000000 ] - [ -0.0000561700000000, 0.0000231300000000, 0.0001154200000000 ] - [ 0.0004407800000000, 0.0005090000000000, -0.0007492100000000 ] - [ -0.0007565300000000, -0.0001835300000000, 0.0000690600000000 ] - [ 0.0001639300000000, -0.0007967200000000, -0.0002715600000000 ] - [ 0.0096362300000000, -0.0333465000000000, -0.0622771100000000 ] - [ 0.0004198000000000, 0.0003434000000000, 0.0003098400000000 ] - [ 0.0002906400000000, 0.0000629700000000, 0.0002839800000000 ] - [ -0.0001349600000000, -0.0006615500000000, 0.0000810700000000 ] - [ -0.0020981900000000, -0.0010055400000000, -0.0017456000000000 ] - [ -0.0004220900000000, 0.0003348500000000, 0.0002879000000000 ] - [ -0.0000322300000000, -0.0001126100000000, 0.0002028100000000 ] - [ 0.0000480900000000, -0.0003196300000000, -0.0002787100000000 ] - [ -0.0036847800000000, -0.0019281700000000, 0.0002501400000000 ] - [ 0.0000505200000000, 0.0000269300000000, 0.0004666600000000 ] - [ -0.0000956300000000, -0.0001063300000000, 0.0002442800000000 ] - [ -0.0000790000000000, -0.0003994800000000, 0.0002746500000000 ] - [ 0.0134793300000000, 0.0057788400000000, -0.0119085200000000 ] - [ -0.0000163300000000, 0.0002577300000000, 0.0003260000000000 ] - [ -0.0004050100000000, -0.0004233300000000, 0.0002438400000000 ] - [ -0.0002284200000000, -0.0002734300000000, 0.0004817500000000 ] - [ 0.0003684200000000, 0.0002055700000000, -0.0000906200000000 ] - [ 0.0003997900000000, 0.0003588500000000, 0.0002169000000000 ] - [ 0.0003674600000000, -0.0003203500000000, 0.0001388200000000 ] - [ 0.0006079100000000, -0.0006529600000000, 0.0001254300000000 ] - [ -0.0004348700000000, 0.0002550400000000, -0.0001026200000000 ] - [ -0.0004066600000000, 0.0003775100000000, 0.0002011600000000 ] - [ 0.0000212100000000, -0.0002224300000000, 0.0002132700000000 ] - [ -0.0002509200000000, -0.0008818000000000, -0.0001252400000000 ] - [ -0.0001009500000000, 0.0002311400000000, -0.0001234200000000 ] - [ 0.0000165500000000, 0.0003302700000000, 0.0001652200000000 ] - [ 0.0000967400000000, -0.0000965300000000, 0.0000134300000000 ] - [ -0.0000204200000000, -0.0004429800000000, 0.0001713000000000 ] - [ -0.0000586800000000, 0.0002653600000000, -0.0002044200000000 ] - [ -0.0000100300000000, 0.0002818100000000, 0.0002385600000000 ] - [ 0.0002112500000000, 0.0002109200000000, 0.0006266900000000 ] - [ -0.0000187100000000, -0.0002217200000000, -0.0001635200000000 ] - [ -0.0001223800000000, -0.0001117500000000, -0.0005131900000000 ] - [ 0.0004960700000000, 0.0004936000000000, -0.0003734000000000 ] - [ 0.0000390800000000, 0.0000981800000000, 0.0013133900000000 ] - [ 0.0000233300000000, -0.0002169400000000, -0.0001755500000000 ] - [ 0.0000878800000000, 0.0002181700000000, -0.0001038200000000 ] - [ -0.0000963100000000, 0.0003387900000000, 0.0000232400000000 ] - [ 0.0000122900000000, 0.0000758300000000, 0.0005337000000000 ] - [ 0.0000143000000000, 0.0002746400000000, -0.0000386000000000 ] - [ 0.0004776600000000, 0.0001845300000000, 0.0002214200000000 ] - [ -0.0000331100000000, -0.0002180700000000, -0.0001820000000000 ] - [ -0.0000197300000000, 0.0002618100000000, -0.0002514600000000 ] - [ 0.0000258300000000, 0.0004180500000000, -0.0003184500000000 ] - [ 0.0000150700000000, -0.0004485800000000, -0.0004443900000000 ] - [ -0.0059612400000000, -0.0066625000000000, -0.0025537900000000 ] - [ 0.0000262700000000, 0.0007064800000000, -0.0001129200000000 ] - [ -0.0000483700000000, 0.0008343100000000, -0.0000346500000000 ] - [ 0.0031398300000000, 0.0034904600000000, -0.0003573500000000 ] - [ 0.0000084300000000, -0.0007143200000000, -0.0002655400000000 ] - [ -0.0178511600000000, 0.0340987000000000, 0.0886275700000000 ] - [ 0.0001004800000000, -0.0003228100000000, 0.0000801800000000 ] - [ -0.0000162600000000, 0.0002748200000000, 0.0001256600000000 ] - [ -0.0002187900000000, 0.0005051600000000, 0.0001257700000000 ] - [ 0.0008179000000000, -0.0002685200000000, 0.0001192300000000 ] - [ -0.0000754200000000, -0.0002159800000000, -0.0004284300000000 ] - [ 0.0001124900000000, 0.0001600800000000, -0.0003362400000000 ] - [ 0.0001477400000000, 0.0004959200000000, -0.0000722600000000 ] - [ 0.0000188200000000, 0.0001422000000000, -0.0003956900000000 ] - [ -0.0001186200000000, 0.0003870100000000, -0.0001053500000000 ] - [ 0.0010739800000000, -0.0008564900000000, -0.0108013100000000 ] - [ 0.0000730400000000, -0.0002008500000000, -0.0004829300000000 ] - [ 0.0001574800000000, 0.0002059200000000, 0.0001775400000000 ] - [ 0.0001854900000000, 0.0003401500000000, 0.0001766300000000 ] - [ -0.0013766300000000, 0.0000920700000000, 0.0024425400000000 ] - [ -0.0000834600000000, -0.0003192900000000, 0.0000806900000000 ] - [ 0.0002594000000000, 0.0002995300000000, -0.0000428600000000 ] - [ -0.0005864000000000, 0.0009581600000000, -0.0003132300000000 ] - [ 0.0019158300000000, -0.0031709100000000, -0.0009004500000000 ] - [ 0.0000043300000000, -0.0005312300000000, -0.0000647500000000 ] - [ 0.0001533100000000, -0.0002396900000000, 0.0003167800000000 ] - [ -0.0000121600000000, -0.0002546000000000, -0.0001456600000000 ] - [ 0.0000874000000000, 0.0002646400000000, -0.0000956100000000 ] - [ -0.0004051500000000, 0.0000622500000000, -0.0001957100000000 ] - [ -0.0000200400000000, -0.0001816800000000, 0.0002044600000000 ] - [ 0.0000140100000000, -0.0002529900000000, -0.0001459900000000 ] - [ -0.0000561800000000, 0.0002747900000000, -0.0000858000000000 ] - [ 0.0000723500000000, 0.0001333600000000, -0.0001093000000000 ] - [ 0.0001213600000000, 0.0005938100000000, 0.0003754300000000 ] - [ -0.0000149100000000, 0.0003331500000000, 0.0000040900000000 ] - [ 0.0000239500000000, -0.0004165000000000, 0.0002688300000000 ] - [ -0.0000069800000000, -0.0003774200000000, 0.0000510000000000 ] - [ -0.0001221200000000, 0.0003537100000000, -0.0001264200000000 ] - [ -0.0000001200000000, 0.0004825300000000, -0.0003315600000000 ] - [ -0.0000142200000000, -0.0004593900000000, -0.0003459500000000 ] - [ 0.0000163500000000, -0.0002935600000000, 0.0000211000000000 ] - [ 0.0000056400000000, 0.0007757600000000, -0.0000762500000000 ] - [ 0.0000274600000000, 0.0008813400000000, -0.0000677500000000 ] - [ -0.0001064700000000, -0.0008869300000000, 0.0000571300000000 ] - [ -0.0000019800000000, -0.0007955300000000, -0.0001309400000000 ] - [ 0.0001472000000000, -0.0001918700000000, 0.0003442600000000 ] - [ 0.0000844000000000, -0.0003282400000000, 0.0001004200000000 ] - [ -0.0001249100000000, 0.0002932600000000, 0.0000931300000000 ] - [ -0.0000674100000000, 0.0003541100000000, 0.0000940700000000 ] - [ -0.0000413500000000, -0.0002875000000000, -0.0001516900000000 ] - [ -0.0000680400000000, -0.0002624000000000, -0.0003393700000000 ] - [ 0.0000718500000000, 0.0002689500000000, -0.0003151800000000 ] - [ 0.0001443500000000, 0.0004297700000000, -0.0002811800000000 ] - [ -0.0000912200000000, 0.0002702800000000, -0.0003355100000000 ] - [ -0.0000157300000000, 0.0003505500000000, -0.0006992600000000 ] - [ 0.0001337100000000, -0.0002813000000000, -0.0001438700000000 ] - [ 0.0000567400000000, -0.0002531300000000, -0.0003527900000000 ] - [ 0.0000437900000000, 0.0002768300000000, 0.0001780200000000 ] - [ 0.0000382700000000, 0.0003659600000000, 0.0001779500000000 ] - [ -0.0000801400000000, -0.0002269100000000, 0.0003462500000000 ] - [ -0.0000826200000000, -0.0003229400000000, 0.0001188500000000 ] - [ -0.0000274000000000, 0.0005999400000000, -0.0000700700000000 ] - [ 0.0000873900000000, 0.0004180500000000, -0.0001654600000000 ] - [ 0.0001072800000000, -0.0004512300000000, 0.0000290700000000 ] - [ -0.0000016100000000, -0.0005535700000000, -0.0000515500000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000536600000000, 0.0004177400000000, 0.0000000000000000 ] - [ -0.0001093700000000, 0.0001953600000000, 0.0000000000000000 ] - [ 0.0001621800000000, -0.0000519500000000, -0.0002259600000000 ] - [ 0.0001621800000000, -0.0000519500000000, 0.0002259600000000 ] - [ 0.0002779900000000, -0.0000540100000000, 0.0000000000000000 ] - [ 0.0001097600000000, 0.0001542000000000, 0.0000000000000000 ] - [ -0.0000566500000000, -0.0002968600000000, 0.0002234100000000 ] - [ -0.0000566500000000, -0.0002968600000000, -0.0002234100000000 ] - [ -0.0004144700000000, -0.0000104400000000, 0.0006264500000000 ] - [ -0.0000731800000000, 0.0000014900000000, -0.0000445300000000 ] - [ -0.0003456600000000, 0.0000107500000000, 0.0006238900000000 ] - [ -0.0000014900000000, -0.0000017200000000, -0.0000445900000000 ] - [ -0.0003456600000000, 0.0000107500000000, -0.0006238900000000 ] - [ -0.0000014900000000, -0.0000017200000000, 0.0000445900000000 ] - [ -0.0004144700000000, -0.0000104400000000, -0.0006264500000000 ] - [ -0.0000731800000000, 0.0000014900000000, 0.0000445300000000 ] - [ -0.0006411300000000, 0.0005037900000000, 0.0000000000000000 ] - [ -0.0001143600000000, 0.0001775900000000, 0.0000000000000000 ] - [ 0.0000128600000000, -0.0001177600000000, 0.0000387300000000 ] - [ 0.0000128600000000, -0.0001177600000000, -0.0000387300000000 ] - [ -0.0004183900000000, -0.0001566900000000, 0.0000000000000000 ] - [ 0.0001044700000000, 0.0001721700000000, 0.0000000000000000 ] - [ -0.0002062600000000, -0.0002314100000000, -0.0000382500000000 ] - [ -0.0002062600000000, -0.0002314100000000, 0.0000382500000000 ] - [ 0.0000200300000000, 0.0000615300000000, -0.0000543600000000 ] - [ -0.0000306600000000, 0.0000030200000000, -0.0000002800000000 ] - [ 0.0000916500000000, -0.0000594000000000, -0.0000545500000000 ] - [ 0.0000406800000000, -0.0000028200000000, -0.0000003200000000 ] - [ 0.0000916500000000, -0.0000594000000000, 0.0000545500000000 ] - [ 0.0000406800000000, -0.0000028200000000, 0.0000003200000000 ] - [ 0.0000200300000000, 0.0000615300000000, 0.0000543600000000 ] - [ -0.0000306600000000, 0.0000030200000000, 0.0000002800000000 ] - [ 0.0510652800000000, -0.0380838300000000, 0.0000000000000000 ] - [ -0.0003661600000000, -0.0003762300000000, 0.0000000000000000 ] - [ 0.0007381200000000, -0.0001055600000000, 0.0004157700000000 ] - [ 0.0007381200000000, -0.0001055600000000, -0.0004157700000000 ] - [ 0.0499877900000000, 0.0355312400000000, 0.0000000000000000 ] - [ 0.0004427800000000, -0.0003562100000000, 0.0000000000000000 ] - [ -0.0000704000000000, 0.0008365500000000, -0.0004138200000000 ] - [ -0.0000704000000000, 0.0008365500000000, 0.0004138200000000 ] - [ 0.0054953100000000, -0.0002625700000000, -0.0000051800000000 ] - [ 0.0000511300000000, -0.0002665900000000, -0.0000057600000000 ] - [ 0.0009598400000000, 0.0002682700000000, -0.0000028900000000 ] - [ 0.0003152600000000, 0.0002659600000000, -0.0000058700000000 ] - [ 0.0054953100000000, -0.0002625700000000, 0.0000051800000000 ] - [ 0.0000511300000000, -0.0002665900000000, 0.0000057600000000 ] - [ 0.0003152600000000, 0.0002659600000000, 0.0000058700000000 ] - [ 0.0009598400000000, 0.0002682700000000, 0.0000028900000000 ] - [ -0.0006653700000000, -0.0003932600000000, 0.0000000000000000 ] - [ -0.0004024600000000, -0.0003629400000000, 0.0000000000000000 ] - [ 0.0004598600000000, 0.0004933600000000, -0.0001231500000000 ] - [ 0.0004598600000000, 0.0004933600000000, 0.0001231500000000 ] - [ 0.0001423900000000, -0.0003365700000000, 0.0000000000000000 ] - [ 0.0004064300000000, -0.0003690900000000, 0.0000000000000000 ] - [ -0.0003497900000000, 0.0002389300000000, 0.0001231100000000 ] - [ -0.0003497900000000, 0.0002389300000000, -0.0001231100000000 ] - [ 0.0001272800000000, -0.0002652300000000, -0.0000079700000000 ] - [ 0.0000051800000000, -0.0002660800000000, -0.0000056500000000 ] - [ -0.0000507800000000, 0.0002643800000000, -0.0000037300000000 ] - [ -0.0000507900000000, 0.0002658900000000, -0.0000056900000000 ] - [ 0.0001272800000000, -0.0002652300000000, 0.0000079700000000 ] - [ 0.0000051800000000, -0.0002660800000000, 0.0000056500000000 ] - [ -0.0000507900000000, 0.0002658900000000, 0.0000056900000000 ] - [ -0.0000507800000000, 0.0002643800000000, 0.0000037300000000 ] - [ -0.0000630300000000, -0.0001947600000000, 0.0002226200000000 ] - [ -0.0000630300000000, -0.0001947600000000, -0.0002226200000000 ] - [ 0.0066503400000000, 0.0028906500000000, 0.0000000000000000 ] - [ 0.0000143900000000, 0.0002613100000000, 0.0000000000000000 ] - [ -0.0000354900000000, -0.0002894500000000, -0.0002226100000000 ] - [ -0.0000354900000000, -0.0002894500000000, 0.0002226100000000 ] - [ 0.0067933600000000, -0.0024060600000000, 0.0000000000000000 ] - [ -0.0000128600000000, 0.0002242200000000, 0.0000000000000000 ] - [ -0.0000208300000000, 0.0003853900000000, 0.0001718800000000 ] - [ -0.0012405100000000, 0.0003827900000000, 0.0001695600000000 ] - [ -0.0005040900000000, -0.0003888900000000, 0.0001706800000000 ] - [ -0.0000538900000000, -0.0003852100000000, 0.0001718500000000 ] - [ -0.0012405100000000, 0.0003827900000000, -0.0001695600000000 ] - [ -0.0000208300000000, 0.0003853900000000, -0.0001718800000000 ] - [ -0.0005040900000000, -0.0003888900000000, -0.0001706800000000 ] - [ -0.0000538900000000, -0.0003852100000000, -0.0001718500000000 ] - [ -0.0010066200000000, 0.0007776900000000, 0.0000000000000000 ] - [ -0.0000198600000000, 0.0007792500000000, 0.0000000000000000 ] - [ -0.0002088600000000, -0.0007790300000000, -0.0000002700000000 ] - [ -0.0002088600000000, -0.0007790300000000, 0.0000002700000000 ] - [ -0.0000705500000000, -0.0002921600000000, -0.0000219000000000 ] - [ 0.0000003700000000, -0.0001918000000000, 0.0008291900000000 ] - [ 0.0009755700000000, -0.0045657000000000, 0.0021607900000000 ] - [ -0.0001026700000000, 0.0002899500000000, 0.0002407000000000 ] - [ -0.0001553100000000, -0.0003804900000000, 0.0003591000000000 ] - [ -0.0002263700000000, -0.0002804400000000, -0.0004946100000000 ] - [ 0.0011225400000000, 0.0050888200000000, 0.0016540500000000 ] - [ 0.0000531500000000, 0.0002832100000000, -0.0002320900000000 ] - [ 0.0009755700000000, -0.0045657000000000, -0.0021607900000000 ] - [ -0.0001026700000000, 0.0002899500000000, -0.0002407000000000 ] - [ 0.0000003700000000, -0.0001918000000000, -0.0008291900000000 ] - [ -0.0000705500000000, -0.0002921600000000, 0.0000219000000000 ] - [ 0.0011225400000000, 0.0050888200000000, -0.0016540500000000 ] - [ 0.0000531500000000, 0.0002832100000000, 0.0002320900000000 ] - [ -0.0002263700000000, -0.0002804400000000, 0.0004946100000000 ] - [ -0.0001553100000000, -0.0003804900000000, -0.0003591000000000 ] - [ -0.1283257100000000, 0.0024524300000000, 0.0000000000000000 ] - [ -0.0000559800000000, 0.0005478200000000, 0.0000000000000000 ] - [ -0.0002968400000000, -0.0005471500000000, -0.0000003300000000 ] - [ -0.0002968400000000, -0.0005471500000000, 0.0000003300000000 ] - [ -0.0000276800000000, -0.0002677000000000, 0.0000137500000000 ] - [ -0.0000276800000000, -0.0002677000000000, -0.0000137500000000 ] - [ 0.0001686300000000, 0.0000364500000000, 0.0000000000000000 ] - [ 0.0000106000000000, 0.0002371600000000, 0.0000000000000000 ] - [ 0.0000003200000000, -0.0002178200000000, -0.0000138800000000 ] - [ 0.0000003200000000, -0.0002178200000000, 0.0000138800000000 ] - [ 0.0001407900000000, 0.0004481700000000, 0.0000000000000000 ] - [ -0.0000166600000000, 0.0002483700000000, 0.0000000000000000 ] - [ 0.0000269200000000, 0.0003851200000000, 0.0001715200000000 ] - [ 0.0002350000000000, 0.0003852100000000, 0.0001718400000000 ] - [ 0.0004087500000000, -0.0003832300000000, 0.0001695900000000 ] - [ 0.0000268800000000, -0.0003851900000000, 0.0001718600000000 ] - [ 0.0002350000000000, 0.0003852100000000, -0.0001718400000000 ] - [ 0.0000269200000000, 0.0003851200000000, -0.0001715200000000 ] - [ 0.0004087500000000, -0.0003832300000000, -0.0001695900000000 ] - [ 0.0000268800000000, -0.0003851900000000, -0.0001718600000000 ] - [ 0.0006708000000000, 0.0007736900000000, 0.0000000000000000 ] - [ -0.0000017800000000, 0.0007790100000000, 0.0000000000000000 ] - [ 0.0000209000000000, -0.0007786800000000, -0.0000001800000000 ] - [ 0.0000209000000000, -0.0007786800000000, 0.0000001800000000 ] - [ 0.0000988000000000, -0.0002859300000000, 0.0002637400000000 ] - [ 0.0001662300000000, -0.0002775500000000, 0.0001480400000000 ] - [ 0.0001745100000000, 0.0004281200000000, 0.0003434800000000 ] - [ -0.0000737400000000, 0.0002889600000000, 0.0002348900000000 ] - [ 0.0000106800000000, -0.0002945900000000, -0.0003253800000000 ] - [ -0.0000571300000000, -0.0002869400000000, -0.0002091800000000 ] - [ 0.0003303100000000, 0.0001432300000000, -0.0001292200000000 ] - [ 0.0000821300000000, 0.0002839900000000, -0.0002380300000000 ] - [ 0.0001745100000000, 0.0004281200000000, -0.0003434800000000 ] - [ -0.0000737400000000, 0.0002889600000000, -0.0002348900000000 ] - [ 0.0001662300000000, -0.0002775500000000, -0.0001480400000000 ] - [ 0.0000988000000000, -0.0002859300000000, -0.0002637400000000 ] - [ 0.0003303100000000, 0.0001432300000000, 0.0001292200000000 ] - [ 0.0000821300000000, 0.0002839900000000, 0.0002380300000000 ] - [ -0.0000571300000000, -0.0002869400000000, 0.0002091800000000 ] - [ 0.0000106800000000, -0.0002945900000000, 0.0003253800000000 ] - [ 0.0000820700000000, 0.0005469500000000, 0.0000000000000000 ] - [ 0.0000068000000000, 0.0005476300000000, 0.0000000000000000 ] - [ 0.0000888700000000, -0.0005478600000000, 0.0000001500000000 ] - [ 0.0000888700000000, -0.0005478600000000, -0.0000001500000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006893700000000, 0.0001773300000000, 0.0000000000000000 ] - [ -0.0000845300000000, 0.0001660900000000, 0.0000000000000000 ] - [ 0.0001915100000000, -0.0001728700000000, 0.0003959600000000 ] - [ 0.0001915100000000, -0.0001728700000000, -0.0003959600000000 ] - [ 0.0006893700000000, 0.0001773300000000, 0.0000000000000000 ] - [ 0.0000845300000000, 0.0001660900000000, 0.0000000000000000 ] - [ -0.0001915100000000, -0.0001728700000000, 0.0003959600000000 ] - [ -0.0001915100000000, -0.0001728700000000, -0.0003959600000000 ] - [ -0.0001897000000000, 0.0003765300000000, -0.0004427000000000 ] - [ -0.0000259600000000, 0.0000181500000000, -0.0000131500000000 ] - [ 0.0001897000000000, 0.0003765300000000, 0.0004427000000000 ] - [ 0.0000259600000000, 0.0000181500000000, 0.0000131500000000 ] - [ 0.0001897000000000, 0.0003765300000000, -0.0004427000000000 ] - [ 0.0000259600000000, 0.0000181500000000, -0.0000131500000000 ] - [ -0.0001897000000000, 0.0003765300000000, 0.0004427000000000 ] - [ -0.0000259600000000, 0.0000181500000000, 0.0000131500000000 ] - [ 0.0005104100000000, 0.0002548600000000, 0.0000000000000000 ] - [ -0.0001125400000000, 0.0001782500000000, 0.0000000000000000 ] - [ 0.0001637700000000, -0.0002415600000000, -0.0001041300000000 ] - [ 0.0001637700000000, -0.0002415600000000, 0.0001041300000000 ] - [ -0.0005104100000000, 0.0002548600000000, 0.0000000000000000 ] - [ 0.0001125400000000, 0.0001782500000000, 0.0000000000000000 ] - [ -0.0001637700000000, -0.0002415600000000, -0.0001041300000000 ] - [ -0.0001637700000000, -0.0002415600000000, 0.0001041300000000 ] - [ 0.0000072700000000, -0.0003698700000000, 0.0000067500000000 ] - [ -0.0000445200000000, -0.0000404200000000, -0.0000046400000000 ] - [ -0.0000072700000000, -0.0003698700000000, -0.0000067500000000 ] - [ 0.0000445200000000, -0.0000404200000000, 0.0000046400000000 ] - [ -0.0000072700000000, -0.0003698700000000, 0.0000067500000000 ] - [ 0.0000445200000000, -0.0000404200000000, -0.0000046400000000 ] - [ 0.0000072700000000, -0.0003698700000000, -0.0000067500000000 ] - [ -0.0000445200000000, -0.0000404200000000, 0.0000046400000000 ] - [ -0.0422629100000000, 0.0515590200000000, 0.0000000000000000 ] - [ -0.0004374900000000, -0.0002976500000000, 0.0000000000000000 ] - [ 0.0003916800000000, 0.0010880900000000, -0.0004160600000000 ] - [ 0.0003916800000000, 0.0010880900000000, 0.0004160600000000 ] - [ 0.0422629100000000, 0.0515590200000000, 0.0000000000000000 ] - [ 0.0004374900000000, -0.0002976500000000, 0.0000000000000000 ] - [ -0.0003916800000000, 0.0010880900000000, -0.0004160600000000 ] - [ -0.0003916800000000, 0.0010880900000000, 0.0004160600000000 ] - [ 0.0000000000000000, -0.0025063800000000, -0.0004614100000000 ] - [ 0.0000000000000000, -0.0001273000000000, 0.0000447800000000 ] - [ 0.0000000000000000, -0.0002616800000000, -0.0004521100000000 ] - [ 0.0000000000000000, 0.0002684600000000, 0.0001205200000000 ] - [ 0.0000000000000000, -0.0025063800000000, 0.0004614100000000 ] - [ 0.0000000000000000, -0.0001273000000000, -0.0000447800000000 ] - [ 0.0000000000000000, 0.0002684600000000, -0.0001205200000000 ] - [ 0.0000000000000000, -0.0002616800000000, 0.0004521100000000 ] - [ -0.0007016600000000, -0.0009181700000000, 0.0000000000000000 ] - [ -0.0004026300000000, -0.0003818700000000, 0.0000000000000000 ] - [ 0.0002560000000000, 0.0002299800000000, 0.0002174100000000 ] - [ 0.0002560000000000, 0.0002299800000000, -0.0002174100000000 ] - [ 0.0007016600000000, -0.0009181700000000, 0.0000000000000000 ] - [ 0.0004026300000000, -0.0003818700000000, 0.0000000000000000 ] - [ -0.0002560000000000, 0.0002299800000000, 0.0002174100000000 ] - [ -0.0002560000000000, 0.0002299800000000, -0.0002174100000000 ] - [ 0.0000000000000000, -0.0006989400000000, 0.0008659100000000 ] - [ 0.0000000000000000, -0.0003137700000000, -0.0000099400000000 ] - [ 0.0000000000000000, 0.0006839900000000, -0.0002384800000000 ] - [ 0.0000000000000000, 0.0003166100000000, -0.0000360700000000 ] - [ 0.0000000000000000, -0.0006989400000000, -0.0008659100000000 ] - [ 0.0000000000000000, -0.0003137700000000, 0.0000099400000000 ] - [ 0.0000000000000000, 0.0003166100000000, 0.0000360700000000 ] - [ 0.0000000000000000, 0.0006839900000000, 0.0002384800000000 ] - [ -0.0000165300000000, -0.0005322800000000, -0.0000853200000000 ] - [ -0.0000165300000000, -0.0005322800000000, 0.0000853200000000 ] - [ -0.0062013000000000, -0.0031047000000000, 0.0000000000000000 ] - [ 0.0000044100000000, 0.0002002900000000, 0.0000000000000000 ] - [ 0.0000165300000000, -0.0005322800000000, -0.0000853200000000 ] - [ 0.0000165300000000, -0.0005322800000000, 0.0000853200000000 ] - [ 0.0062013000000000, -0.0031047000000000, 0.0000000000000000 ] - [ -0.0000044100000000, 0.0002002900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003293800000000, 0.0000960000000000 ] - [ 0.0000000000000000, 0.0006491500000000, 0.0003982100000000 ] - [ 0.0000000000000000, 0.0007981700000000, 0.0005905500000000 ] - [ 0.0000000000000000, -0.0003620000000000, 0.0001354700000000 ] - [ 0.0000000000000000, 0.0006491500000000, -0.0003982100000000 ] - [ 0.0000000000000000, 0.0003293800000000, -0.0000960000000000 ] - [ 0.0000000000000000, 0.0007981700000000, -0.0005905500000000 ] - [ 0.0000000000000000, -0.0003620000000000, -0.0001354700000000 ] - [ 0.0000000000000000, 0.0015063800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007118100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007164700000000, 0.0001449700000000 ] - [ 0.0000000000000000, -0.0007164700000000, -0.0001449700000000 ] - [ 0.0000928600000000, -0.0003548900000000, 0.0004874500000000 ] - [ -0.0001303400000000, -0.0005664300000000, -0.0001770300000000 ] - [ -0.0044890000000000, 0.0042211800000000, -0.0023535100000000 ] - [ -0.0000808000000000, 0.0002549200000000, 0.0002548200000000 ] - [ 0.0001303400000000, -0.0005664300000000, 0.0001770300000000 ] - [ -0.0000928600000000, -0.0003548900000000, -0.0004874500000000 ] - [ 0.0044890000000000, 0.0042211800000000, 0.0023535100000000 ] - [ 0.0000808000000000, 0.0002549200000000, -0.0002548200000000 ] - [ -0.0044890000000000, 0.0042211800000000, 0.0023535100000000 ] - [ -0.0000808000000000, 0.0002549200000000, -0.0002548200000000 ] - [ -0.0001303400000000, -0.0005664300000000, 0.0001770300000000 ] - [ 0.0000928600000000, -0.0003548900000000, -0.0004874500000000 ] - [ 0.0044890000000000, 0.0042211800000000, -0.0023535100000000 ] - [ 0.0000808000000000, 0.0002549200000000, 0.0002548200000000 ] - [ -0.0000928600000000, -0.0003548900000000, 0.0004874500000000 ] - [ 0.0001303400000000, -0.0005664300000000, -0.0001770300000000 ] - [ 0.0000000000000000, -0.1121968300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004853200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008178000000000, 0.0001320500000000 ] - [ 0.0000000000000000, -0.0008178000000000, -0.0001320500000000 ] - [ 0.0000162700000000, -0.0001409900000000, -0.0000017400000000 ] - [ 0.0000162700000000, -0.0001409900000000, 0.0000017400000000 ] - [ -0.0001033100000000, 0.0006489400000000, 0.0000000000000000 ] - [ 0.0000212700000000, 0.0002608900000000, 0.0000000000000000 ] - [ -0.0000162700000000, -0.0001409900000000, -0.0000017400000000 ] - [ -0.0000162700000000, -0.0001409900000000, 0.0000017400000000 ] - [ 0.0001033100000000, 0.0006489400000000, 0.0000000000000000 ] - [ -0.0000212700000000, 0.0002608900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004062200000000, 0.0001907900000000 ] - [ 0.0000000000000000, 0.0005111100000000, 0.0000063300000000 ] - [ 0.0000000000000000, -0.0006576700000000, 0.0004098100000000 ] - [ 0.0000000000000000, -0.0003940900000000, 0.0001768800000000 ] - [ 0.0000000000000000, 0.0005111100000000, -0.0000063300000000 ] - [ 0.0000000000000000, 0.0004062200000000, -0.0001907900000000 ] - [ 0.0000000000000000, -0.0006576700000000, -0.0004098100000000 ] - [ 0.0000000000000000, -0.0003940900000000, -0.0001768800000000 ] - [ 0.0000000000000000, 0.0018005800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008022300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008686700000000, -0.0000236100000000 ] - [ 0.0000000000000000, -0.0008686700000000, 0.0000236100000000 ] - [ 0.0000867900000000, -0.0002876700000000, 0.0001860700000000 ] - [ 0.0000787900000000, -0.0003228300000000, 0.0003697100000000 ] - [ 0.0001295800000000, 0.0006280800000000, 0.0003343000000000 ] - [ -0.0000738800000000, 0.0002934000000000, 0.0002323800000000 ] - [ -0.0000787900000000, -0.0003228300000000, -0.0003697100000000 ] - [ -0.0000867900000000, -0.0002876700000000, -0.0001860700000000 ] - [ -0.0001295800000000, 0.0006280800000000, -0.0003343000000000 ] - [ 0.0000738800000000, 0.0002934000000000, -0.0002323800000000 ] - [ 0.0001295800000000, 0.0006280800000000, -0.0003343000000000 ] - [ -0.0000738800000000, 0.0002934000000000, -0.0002323800000000 ] - [ 0.0000787900000000, -0.0003228300000000, -0.0003697100000000 ] - [ 0.0000867900000000, -0.0002876700000000, -0.0001860700000000 ] - [ -0.0001295800000000, 0.0006280800000000, 0.0003343000000000 ] - [ 0.0000738800000000, 0.0002934000000000, 0.0002323800000000 ] - [ -0.0000867900000000, -0.0002876700000000, 0.0001860700000000 ] - [ -0.0000787900000000, -0.0003228300000000, 0.0003697100000000 ] - [ 0.0000000000000000, 0.0008185900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005655000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003894200000000, -0.0001184500000000 ] - [ 0.0000000000000000, -0.0003894200000000, 0.0001184500000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004602500000000, 0.0001689400000000, 0.0000000000000000 ] - [ -0.0001349200000000, 0.0001825900000000, 0.0000000000000000 ] - [ 0.0000286200000000, -0.0001753900000000, -0.0003966600000000 ] - [ 0.0000286200000000, -0.0001753900000000, 0.0003966600000000 ] - [ -0.0004602500000000, 0.0001689400000000, 0.0000000000000000 ] - [ 0.0001349200000000, 0.0001825900000000, 0.0000000000000000 ] - [ -0.0000286200000000, -0.0001753900000000, -0.0003966600000000 ] - [ -0.0000286200000000, -0.0001753900000000, 0.0003966600000000 ] - [ 0.0001203900000000, -0.0003781800000000, 0.0004457100000000 ] - [ -0.0000438200000000, -0.0000185000000000, 0.0000132900000000 ] - [ -0.0001203900000000, -0.0003781800000000, -0.0004457100000000 ] - [ 0.0000438200000000, -0.0000185000000000, -0.0000132900000000 ] - [ -0.0001203900000000, -0.0003781800000000, 0.0004457100000000 ] - [ 0.0000438200000000, -0.0000185000000000, 0.0000132900000000 ] - [ 0.0001203900000000, -0.0003781800000000, -0.0004457100000000 ] - [ -0.0000438200000000, -0.0000185000000000, -0.0000132900000000 ] - [ -0.0007285400000000, 0.0000951500000000, 0.0000000000000000 ] - [ -0.0001073400000000, 0.0001707400000000, 0.0000000000000000 ] - [ 0.0000575100000000, -0.0001082500000000, 0.0001046300000000 ] - [ 0.0000575100000000, -0.0001082500000000, -0.0001046300000000 ] - [ 0.0007285400000000, 0.0000951500000000, 0.0000000000000000 ] - [ 0.0001073400000000, 0.0001707400000000, 0.0000000000000000 ] - [ -0.0000575100000000, -0.0001082500000000, 0.0001046300000000 ] - [ -0.0000575100000000, -0.0001082500000000, -0.0001046300000000 ] - [ -0.0000785000000000, 0.0003687300000000, -0.0000062500000000 ] - [ -0.0000257800000000, 0.0000400000000000, 0.0000044600000000 ] - [ 0.0000785000000000, 0.0003687300000000, 0.0000062500000000 ] - [ 0.0000257800000000, 0.0000400000000000, -0.0000044600000000 ] - [ 0.0000785000000000, 0.0003687300000000, -0.0000062500000000 ] - [ 0.0000257800000000, 0.0000400000000000, 0.0000044600000000 ] - [ -0.0000785000000000, 0.0003687300000000, 0.0000062500000000 ] - [ -0.0000257800000000, 0.0000400000000000, -0.0000044600000000 ] - [ 0.0428524300000000, -0.0529920400000000, 0.0000000000000000 ] - [ -0.0003719200000000, -0.0004343700000000, 0.0000000000000000 ] - [ 0.0004165000000000, -0.0003498700000000, 0.0004131700000000 ] - [ 0.0004165000000000, -0.0003498700000000, -0.0004131700000000 ] - [ -0.0428524300000000, -0.0529920400000000, 0.0000000000000000 ] - [ 0.0003719200000000, -0.0004343700000000, 0.0000000000000000 ] - [ -0.0004165000000000, -0.0003498700000000, 0.0004131700000000 ] - [ -0.0004165000000000, -0.0003498700000000, -0.0004131700000000 ] - [ 0.0000000000000000, 0.0019663500000000, 0.0004490100000000 ] - [ 0.0000000000000000, -0.0004041100000000, -0.0000553900000000 ] - [ 0.0000000000000000, 0.0007865100000000, 0.0004350800000000 ] - [ 0.0000000000000000, 0.0002620900000000, -0.0001307700000000 ] - [ 0.0000000000000000, 0.0019663500000000, -0.0004490100000000 ] - [ 0.0000000000000000, -0.0004041100000000, 0.0000553900000000 ] - [ 0.0000000000000000, 0.0002620900000000, 0.0001307700000000 ] - [ 0.0000000000000000, 0.0007865100000000, -0.0004350800000000 ] - [ -0.0001082600000000, 0.0001878000000000, 0.0000000000000000 ] - [ -0.0004064000000000, -0.0003504100000000, 0.0000000000000000 ] - [ 0.0005527600000000, 0.0005020800000000, -0.0002165500000000 ] - [ 0.0005527600000000, 0.0005020800000000, 0.0002165500000000 ] - [ 0.0001082600000000, 0.0001878000000000, 0.0000000000000000 ] - [ 0.0004064000000000, -0.0003504100000000, 0.0000000000000000 ] - [ -0.0005527600000000, 0.0005020800000000, -0.0002165500000000 ] - [ -0.0005527600000000, 0.0005020800000000, 0.0002165500000000 ] - [ 0.0000000000000000, 0.0001757700000000, -0.0008922300000000 ] - [ 0.0000000000000000, -0.0002179000000000, -0.0000008600000000 ] - [ 0.0000000000000000, -0.0001524900000000, 0.0002296200000000 ] - [ 0.0000000000000000, 0.0002153100000000, 0.0000248900000000 ] - [ 0.0000000000000000, 0.0001757700000000, 0.0008922300000000 ] - [ 0.0000000000000000, -0.0002179000000000, 0.0000008600000000 ] - [ 0.0000000000000000, 0.0002153100000000, -0.0000248900000000 ] - [ 0.0000000000000000, -0.0001524900000000, -0.0002296200000000 ] - [ -0.0000086800000000, 0.0000457000000000, 0.0000854100000000 ] - [ -0.0000086800000000, 0.0000457000000000, -0.0000854100000000 ] - [ 0.0062224400000000, 0.0035777900000000, 0.0000000000000000 ] - [ 0.0000211600000000, 0.0002847500000000, 0.0000000000000000 ] - [ 0.0000086800000000, 0.0000457000000000, 0.0000854100000000 ] - [ 0.0000086800000000, 0.0000457000000000, -0.0000854100000000 ] - [ -0.0062224400000000, 0.0035777900000000, 0.0000000000000000 ] - [ -0.0000211600000000, 0.0002847500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004395500000000, 0.0002464200000000 ] - [ 0.0000000000000000, 0.0001239000000000, -0.0000526600000000 ] - [ 0.0000000000000000, -0.0015422700000000, -0.0002393100000000 ] - [ 0.0000000000000000, -0.0004076400000000, 0.0002072400000000 ] - [ 0.0000000000000000, 0.0001239000000000, 0.0000526600000000 ] - [ 0.0000000000000000, 0.0004395500000000, -0.0002464200000000 ] - [ 0.0000000000000000, -0.0015422700000000, 0.0002393100000000 ] - [ 0.0000000000000000, -0.0004076400000000, -0.0002072400000000 ] - [ 0.0000000000000000, 0.0000501600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008441700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008396100000000, -0.0001453200000000 ] - [ 0.0000000000000000, -0.0008396100000000, 0.0001453200000000 ] - [ 0.0000623600000000, -0.0002187600000000, -0.0000114000000000 ] - [ 0.0002841100000000, -0.0000120400000000, 0.0006475000000000 ] - [ 0.0043775800000000, -0.0036713600000000, 0.0028747500000000 ] - [ -0.0000742200000000, 0.0003179500000000, 0.0002186300000000 ] - [ -0.0002841100000000, -0.0000120400000000, -0.0006475000000000 ] - [ -0.0000623600000000, -0.0002187600000000, 0.0000114000000000 ] - [ -0.0043775800000000, -0.0036713600000000, -0.0028747500000000 ] - [ 0.0000742200000000, 0.0003179500000000, -0.0002186300000000 ] - [ 0.0043775800000000, -0.0036713600000000, -0.0028747500000000 ] - [ -0.0000742200000000, 0.0003179500000000, -0.0002186300000000 ] - [ 0.0002841100000000, -0.0000120400000000, -0.0006475000000000 ] - [ 0.0000623600000000, -0.0002187600000000, 0.0000114000000000 ] - [ -0.0043775800000000, -0.0036713600000000, 0.0028747500000000 ] - [ 0.0000742200000000, 0.0003179500000000, 0.0002186300000000 ] - [ -0.0000623600000000, -0.0002187600000000, -0.0000114000000000 ] - [ -0.0002841100000000, -0.0000120400000000, 0.0006475000000000 ] - [ 0.0000000000000000, 0.1148421300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006102900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002802000000000, -0.0001317800000000 ] - [ 0.0000000000000000, -0.0002802000000000, 0.0001317800000000 ] - [ -0.0000423600000000, -0.0003444400000000, 0.0000011300000000 ] - [ -0.0000423600000000, -0.0003444400000000, -0.0000011300000000 ] - [ 0.0001295500000000, -0.0001626300000000, 0.0000000000000000 ] - [ 0.0000046100000000, 0.0002246600000000, 0.0000000000000000 ] - [ 0.0000423600000000, -0.0003444400000000, 0.0000011300000000 ] - [ 0.0000423600000000, -0.0003444400000000, -0.0000011300000000 ] - [ -0.0001295500000000, -0.0001626300000000, 0.0000000000000000 ] - [ -0.0000046100000000, 0.0002246600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003629400000000, 0.0001515300000000 ] - [ 0.0000000000000000, 0.0002585300000000, 0.0003398200000000 ] - [ 0.0000000000000000, -0.0001111600000000, -0.0000683500000000 ] - [ 0.0000000000000000, -0.0003758800000000, 0.0001663000000000 ] - [ 0.0000000000000000, 0.0002585300000000, -0.0003398200000000 ] - [ 0.0000000000000000, 0.0003629400000000, -0.0001515300000000 ] - [ 0.0000000000000000, -0.0001111600000000, 0.0000683500000000 ] - [ 0.0000000000000000, -0.0003758800000000, -0.0001663000000000 ] - [ 0.0000000000000000, -0.0002707500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007538500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006884600000000, 0.0000230600000000 ] - [ 0.0000000000000000, -0.0006884600000000, -0.0000230600000000 ] - [ 0.0000685000000000, -0.0002860100000000, 0.0002867800000000 ] - [ 0.0000762300000000, -0.0002506300000000, 0.0001041200000000 ] - [ -0.0002863900000000, -0.0000584500000000, 0.0001372300000000 ] - [ -0.0000812200000000, 0.0002796100000000, 0.0002409200000000 ] - [ -0.0000762300000000, -0.0002506300000000, -0.0001041200000000 ] - [ -0.0000685000000000, -0.0002860100000000, -0.0002867800000000 ] - [ 0.0002863900000000, -0.0000584500000000, -0.0001372300000000 ] - [ 0.0000812200000000, 0.0002796100000000, -0.0002409200000000 ] - [ -0.0002863900000000, -0.0000584500000000, -0.0001372300000000 ] - [ -0.0000812200000000, 0.0002796100000000, -0.0002409200000000 ] - [ 0.0000762300000000, -0.0002506300000000, -0.0001041200000000 ] - [ 0.0000685000000000, -0.0002860100000000, -0.0002867800000000 ] - [ 0.0002863900000000, -0.0000584500000000, 0.0001372300000000 ] - [ 0.0000812200000000, 0.0002796100000000, 0.0002409200000000 ] - [ -0.0000685000000000, -0.0002860100000000, 0.0002867800000000 ] - [ -0.0000762300000000, -0.0002506300000000, 0.0001041200000000 ] - [ 0.0000000000000000, 0.0002767900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005304700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007071600000000, 0.0001183800000000 ] - [ 0.0000000000000000, -0.0007071600000000, -0.0001183800000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000976600000000, 0.0001618700000000, -0.0006583900000000 ] - [ -0.0001099300000000, 0.0001745400000000, -0.0000468000000000 ] - [ 0.0000867800000000, -0.0001741200000000, -0.0002839800000000 ] - [ 0.0001333200000000, -0.0001754800000000, -0.0002839000000000 ] - [ 0.0000976600000000, 0.0001618700000000, -0.0006583900000000 ] - [ 0.0001099300000000, 0.0001745400000000, -0.0000468000000000 ] - [ -0.0000867800000000, -0.0001741200000000, -0.0002839800000000 ] - [ -0.0001333200000000, -0.0001754800000000, -0.0002839000000000 ] - [ 0.0001056600000000, -0.0002173300000000, 0.0000142800000000 ] - [ -0.0000364400000000, 0.0000126800000000, -0.0000561100000000 ] - [ 0.0001770300000000, 0.0002172900000000, 0.0000176500000000 ] - [ 0.0000336500000000, -0.0000128000000000, -0.0000560300000000 ] - [ -0.0001056600000000, -0.0002173300000000, 0.0000142800000000 ] - [ 0.0000364400000000, 0.0000126800000000, -0.0000561100000000 ] - [ -0.0001770300000000, 0.0002172900000000, 0.0000176500000000 ] - [ -0.0000336500000000, -0.0000128000000000, -0.0000560300000000 ] - [ -0.0001094500000000, 0.0001750500000000, 0.0006730100000000 ] - [ -0.0001097500000000, 0.0001744100000000, -0.0000641500000000 ] - [ 0.0001303900000000, -0.0001595200000000, 0.0000063200000000 ] - [ 0.0000882300000000, -0.0001888400000000, 0.0000064100000000 ] - [ 0.0001094500000000, 0.0001750500000000, 0.0006730100000000 ] - [ 0.0001097500000000, 0.0001744100000000, -0.0000641500000000 ] - [ -0.0001303900000000, -0.0001595200000000, 0.0000063200000000 ] - [ -0.0000882300000000, -0.0001888400000000, 0.0000064100000000 ] - [ -0.0000001400000000, 0.0002532500000000, 0.0001202000000000 ] - [ -0.0000380700000000, -0.0000073700000000, -0.0000472000000000 ] - [ 0.0000693400000000, -0.0002536800000000, 0.0001205400000000 ] - [ 0.0000312400000000, 0.0000074200000000, -0.0000472900000000 ] - [ 0.0000001400000000, 0.0002532500000000, 0.0001202000000000 ] - [ 0.0000380700000000, -0.0000073700000000, -0.0000472000000000 ] - [ -0.0000693400000000, -0.0002536800000000, 0.0001205400000000 ] - [ -0.0000312400000000, 0.0000074200000000, -0.0000472900000000 ] - [ -0.0005509200000000, -0.0002033700000000, 0.0054976700000000 ] - [ -0.0004044200000000, -0.0003661600000000, -0.0001096700000000 ] - [ 0.0004075100000000, 0.0001694700000000, 0.0000167200000000 ] - [ 0.0004004000000000, 0.0005595800000000, 0.0000134000000000 ] - [ 0.0005509200000000, -0.0002033700000000, 0.0054976700000000 ] - [ 0.0004044200000000, -0.0003661600000000, -0.0001096700000000 ] - [ -0.0004075100000000, 0.0001694700000000, 0.0000167200000000 ] - [ -0.0004004000000000, 0.0005595800000000, 0.0000134000000000 ] - [ 0.0000000000000000, -0.0027130300000000, 0.0006828700000000 ] - [ 0.0000000000000000, -0.0002985800000000, -0.0001409300000000 ] - [ 0.0000000000000000, -0.0000072600000000, 0.0006051400000000 ] - [ 0.0000000000000000, 0.0004154600000000, -0.0000025500000000 ] - [ 0.0000000000000000, 0.0021745600000000, 0.0006953600000000 ] - [ 0.0000000000000000, -0.0002337900000000, -0.0001301400000000 ] - [ 0.0000000000000000, 0.0001175700000000, 0.0000090700000000 ] - [ 0.0000000000000000, 0.0005571100000000, 0.0006151000000000 ] - [ -0.0004044900000000, -0.0003668700000000, 0.0000126600000000 ] - [ -0.0004044900000000, -0.0003660800000000, -0.0000879800000000 ] - [ 0.0004913000000000, 0.0004463000000000, -0.0002282800000000 ] - [ 0.0003179900000000, 0.0002860900000000, -0.0002274200000000 ] - [ 0.0004044900000000, -0.0003668700000000, 0.0000126600000000 ] - [ 0.0004044900000000, -0.0003660800000000, -0.0000879800000000 ] - [ -0.0004913000000000, 0.0004463000000000, -0.0002282800000000 ] - [ -0.0003179900000000, 0.0002860900000000, -0.0002274200000000 ] - [ 0.0000000000000000, -0.0002257000000000, 0.0000600400000000 ] - [ 0.0000000000000000, -0.0002608700000000, -0.0001001900000000 ] - [ 0.0000000000000000, 0.0000329800000000, -0.0000486800000000 ] - [ 0.0000000000000000, 0.0003066700000000, -0.0001224900000000 ] - [ 0.0000000000000000, -0.0003066100000000, 0.0000660800000000 ] - [ 0.0000000000000000, -0.0002714300000000, -0.0000892000000000 ] - [ 0.0000000000000000, 0.0002255200000000, -0.0001121700000000 ] - [ 0.0000000000000000, 0.0005000400000000, -0.0000348400000000 ] - [ -0.0000140500000000, -0.0001100200000000, 0.0000766200000000 ] - [ -0.0000116300000000, -0.0003762700000000, 0.0000770300000000 ] - [ -0.0000038400000000, 0.0002325800000000, -0.0006978800000000 ] - [ 0.0000126100000000, 0.0002433400000000, 0.0000602100000000 ] - [ 0.0000140500000000, -0.0001100200000000, 0.0000766200000000 ] - [ 0.0000116300000000, -0.0003762700000000, 0.0000770300000000 ] - [ 0.0000038400000000, 0.0002325800000000, -0.0006978800000000 ] - [ -0.0000126100000000, 0.0002433400000000, 0.0000602100000000 ] - [ 0.0000000000000000, 0.0004238500000000, 0.0002842100000000 ] - [ 0.0000000000000000, 0.0008622500000000, 0.0002837300000000 ] - [ 0.0000000000000000, -0.0006766900000000, -0.0002784600000000 ] - [ 0.0000000000000000, -0.0004261400000000, 0.0001930700000000 ] - [ 0.0000000000000000, -0.0000937700000000, -0.0000560400000000 ] - [ 0.0000000000000000, 0.0003460700000000, -0.0000580400000000 ] - [ 0.0000000000000000, -0.0000941600000000, -0.0006312200000000 ] - [ 0.0000000000000000, -0.0003438700000000, -0.0001489700000000 ] - [ 0.0000000000000000, 0.0007811100000000, -0.0010337800000000 ] - [ 0.0000000000000000, 0.0007793700000000, 0.0001002800000000 ] - [ 0.0000000000000000, -0.0007135200000000, -0.0000800700000000 ] - [ 0.0000000000000000, -0.0008484900000000, -0.0000786100000000 ] - [ 0.0001197000000000, -0.0002105700000000, 0.0002793500000000 ] - [ 0.0003488700000000, -0.0004953200000000, 0.0005524000000000 ] - [ 0.0032546900000000, -0.0045507700000000, 0.0011423600000000 ] - [ -0.0000743400000000, 0.0002660100000000, 0.0003004600000000 ] - [ 0.0001996100000000, -0.0000732100000000, 0.0000872700000000 ] - [ -0.0000369000000000, -0.0003623300000000, -0.0001917300000000 ] - [ 0.0034016100000000, 0.0050950400000000, 0.0006642500000000 ] - [ 0.0000819800000000, 0.0003067600000000, -0.0001718100000000 ] - [ -0.0034016100000000, 0.0050950400000000, 0.0006642500000000 ] - [ -0.0000819800000000, 0.0003067600000000, -0.0001718100000000 ] - [ -0.0001996100000000, -0.0000732100000000, 0.0000872700000000 ] - [ 0.0000369000000000, -0.0003623300000000, -0.0001917300000000 ] - [ -0.0032546900000000, -0.0045507700000000, 0.0011423600000000 ] - [ 0.0000743400000000, 0.0002660100000000, 0.0003004600000000 ] - [ -0.0001197000000000, -0.0002105700000000, 0.0002793500000000 ] - [ -0.0003488700000000, -0.0004953200000000, 0.0005524000000000 ] - [ 0.0000000000000000, 0.0003124900000000, -0.0150117900000000 ] - [ 0.0000000000000000, 0.0005476000000000, 0.0000412600000000 ] - [ 0.0000000000000000, -0.0004151200000000, -0.0000630400000000 ] - [ 0.0000000000000000, -0.0006789200000000, -0.0000614500000000 ] - [ -0.0000268700000000, -0.0003052000000000, 0.0000454000000000 ] - [ 0.0000019200000000, -0.0001816600000000, 0.0000447100000000 ] - [ 0.0000125100000000, 0.0002435600000000, -0.0001390100000000 ] - [ 0.0000124500000000, 0.0002432800000000, 0.0000637000000000 ] - [ 0.0000268700000000, -0.0003052000000000, 0.0000454000000000 ] - [ -0.0000019200000000, -0.0001816600000000, 0.0000447100000000 ] - [ -0.0000125100000000, 0.0002435600000000, -0.0001390100000000 ] - [ -0.0000124500000000, 0.0002432800000000, 0.0000637000000000 ] - [ 0.0000000000000000, 0.0004017800000000, 0.0002409400000000 ] - [ 0.0000000000000000, 0.0003379200000000, 0.0000991700000000 ] - [ 0.0000000000000000, -0.0003425100000000, 0.0001507700000000 ] - [ 0.0000000000000000, -0.0004166700000000, 0.0002546400000000 ] - [ 0.0000000000000000, 0.0004315100000000, -0.0002413500000000 ] - [ 0.0000000000000000, 0.0003678600000000, -0.0001014200000000 ] - [ 0.0000000000000000, -0.0004284500000000, -0.0001941200000000 ] - [ 0.0000000000000000, -0.0003529100000000, -0.0000874300000000 ] - [ 0.0000000000000000, 0.0007807600000000, 0.0000704400000000 ] - [ 0.0000000000000000, 0.0007793200000000, 0.0000566500000000 ] - [ 0.0000000000000000, -0.0007360800000000, 0.0000705400000000 ] - [ 0.0000000000000000, -0.0008222700000000, 0.0000696000000000 ] - [ 0.0000692600000000, -0.0002735700000000, 0.0003069000000000 ] - [ 0.0000954200000000, -0.0002895100000000, 0.0004028100000000 ] - [ -0.0000628900000000, 0.0003200600000000, 0.0002071700000000 ] - [ -0.0000741000000000, 0.0002706000000000, 0.0002873700000000 ] - [ -0.0000604300000000, -0.0002833900000000, -0.0000688100000000 ] - [ -0.0000869500000000, -0.0002990100000000, -0.0001658800000000 ] - [ 0.0000930600000000, 0.0002537200000000, -0.0002660100000000 ] - [ 0.0000822300000000, 0.0003021000000000, -0.0001849900000000 ] - [ -0.0000930600000000, 0.0002537200000000, -0.0002660100000000 ] - [ -0.0000822300000000, 0.0003021000000000, -0.0001849900000000 ] - [ 0.0000604300000000, -0.0002833900000000, -0.0000688100000000 ] - [ 0.0000869500000000, -0.0002990100000000, -0.0001658800000000 ] - [ 0.0000628900000000, 0.0003200600000000, 0.0002071700000000 ] - [ 0.0000741000000000, 0.0002706000000000, 0.0002873700000000 ] - [ -0.0000692600000000, -0.0002735700000000, 0.0003069000000000 ] - [ -0.0000954200000000, -0.0002895100000000, 0.0004028100000000 ] - [ 0.0000000000000000, 0.0005477200000000, 0.0000090300000000 ] - [ 0.0000000000000000, 0.0005474300000000, 0.0000195200000000 ] - [ 0.0000000000000000, -0.0006660000000000, 0.0001013200000000 ] - [ 0.0000000000000000, -0.0004292100000000, 0.0001011000000000 ]