# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/aa2fe706-fe33-488b-bc53-6324064094de/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 MgAl6O10 / Cm (8) / materials id 532405](https://mdr.nims.go.jp/datasets/7b899a95-e0a4-4713-a92f-7b1499a77ef8) ## 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: "Cm" number: 8 Hall_symbol: "C -2y"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, 1 ]primitive_cell: lattice: - [ 4.899276885000000, -2.844737725000000, 0.000797745000000 ] # a - [ 4.899276885000000, 2.844737725000000, 0.000797745000000 ] # b - [ 3.317877940000000, 0.000000000000000, 22.961819190000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.320766880000000, 0.320766880000000, 0.031324680000000 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.801755780000000, 0.801755780000000, 0.096111650000000 ] mass: 26.981539 - symbol: Al # 3 coordinates: [ 0.290774280000000, 0.802505740000000, 0.095789370000000 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.930081520000000, 0.930081520000000, 0.223016530000000 ] mass: 26.981539 - symbol: Al # 5 coordinates: [ 0.802505740000000, 0.290774280000000, 0.095789370000000 ] mass: 26.981539 - symbol: Al # 6 coordinates: [ 0.900594220000000, 0.403032860000000, 0.296734600000000 ] mass: 26.981539 - symbol: Al # 7 coordinates: [ 0.587334590000000, 0.587334590000000, 0.201864260000000 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.403032860000000, 0.900594220000000, 0.296734600000000 ] mass: 26.981539 - symbol: Al # 9 coordinates: [ 0.266570130000000, 0.266570130000000, 0.175056450000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.212201590000000, 0.212201590000000, 0.395254260000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.005605740000000, 0.501007080000000, 0.497031260000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.603234480000000, 0.603234480000000, 0.701947430000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.872543670000000, 0.872543670000000, 0.370589640000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.802513150000000, 0.802513150000000, 0.598431610000000 ] mass: 26.981539 - symbol: Al # 15 coordinates: [ 0.501007080000000, 0.005605740000000, 0.497031260000000 ] mass: 26.981539 - symbol: Al # 16 coordinates: [ 0.005858740000000, 0.005858740000000, 0.497064330000000 ] mass: 26.981539 - symbol: Al # 17 coordinates: [ 0.603477470000000, 0.094249490000000, 0.701941350000000 ] mass: 26.981539 - symbol: Al # 18 coordinates: [ 0.195341310000000, 0.195341310000000, 0.907328290000000 ] mass: 26.981539 - symbol: Al # 19 coordinates: [ 0.697257570000000, 0.195449210000000, 0.907266440000000 ] mass: 26.981539 - symbol: Al # 20 coordinates: [ 0.397247150000000, 0.397247150000000, 0.806945640000000 ] mass: 26.981539 - symbol: Al # 21 coordinates: [ 0.094249490000000, 0.603477470000000, 0.701941350000000 ] mass: 26.981539 - symbol: Al # 22 coordinates: [ 0.195449210000000, 0.697257570000000, 0.907266440000000 ] mass: 26.981539 - symbol: Al # 23 coordinates: [ 0.073426630000000, 0.073426630000000, 0.779321110000000 ] mass: 26.981539 - symbol: Al # 24 coordinates: [ 0.673275750000000, 0.673275750000000, 0.973267170000000 ] mass: 26.981539 - symbol: Mg # 25 coordinates: [ 0.535179600000000, 0.535179600000000, 0.415663740000000 ] mass: 24.305000 - symbol: Mg # 26 coordinates: [ 0.127447240000000, 0.127447240000000, 0.624114060000000 ] mass: 24.305000 - symbol: Mg # 27 coordinates: [ 0.721602620000000, 0.721602620000000, 0.834695340000000 ] mass: 24.305000 - symbol: Mg # 28 coordinates: [ 0.477623440000000, 0.477623440000000, 0.572826740000000 ] mass: 24.305000 - symbol: O # 29 coordinates: [ 0.142918850000000, 0.650648850000000, 0.055522510000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.949402000000000, 0.949402000000000, 0.142406260000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.650648850000000, 0.142918850000000, 0.055522510000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.143002330000000, 0.143002330000000, 0.055538650000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.770555350000000, 0.264693370000000, 0.242999970000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.457101030000000, 0.457101030000000, 0.146537430000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.645454080000000, 0.645454080000000, 0.052004500000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.921844340000000, 0.462902300000000, 0.144840750000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.566633530000000, 0.566633530000000, 0.334309170000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.264693370000000, 0.770555350000000, 0.242999970000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.746046260000000, 0.746046260000000, 0.244606590000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.462902300000000, 0.921844340000000, 0.144840750000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.334626180000000, 0.884461440000000, 0.452988890000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.059480220000000, 0.059480220000000, 0.347722850000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.239289180000000, 0.239289180000000, 0.251232820000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.884461440000000, 0.334626180000000, 0.452988890000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.533444000000000, 0.036091180000000, 0.351442880000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.156970650000000, 0.156970650000000, 0.542079780000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.338889970000000, 0.338889970000000, 0.452097920000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.036091180000000, 0.533444000000000, 0.351442880000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.931682740000000, 0.484291780000000, 0.655322270000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.672476150000000, 0.672476150000000, 0.547309290000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.852705070000000, 0.852705070000000, 0.452591960000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.114695040000000, 0.673300200000000, 0.547540110000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.751783400000000, 0.751783400000000, 0.746866500000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.484291780000000, 0.931682740000000, 0.655322270000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.673300200000000, 0.114695040000000, 0.547540110000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.932626750000000, 0.932626750000000, 0.655447180000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.525219960000000, 0.089736080000000, 0.855941000000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.258600720000000, 0.258600720000000, 0.751940560000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.446683230000000, 0.446683230000000, 0.662718300000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.347962000000000, 0.347962000000000, 0.951344630000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.731463250000000, 0.258978930000000, 0.752062160000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.089736080000000, 0.525219960000000, 0.855941000000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.526145020000000, 0.526145020000000, 0.856074370000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.258978930000000, 0.731463250000000, 0.752062160000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.850139040000000, 0.850139040000000, 0.943534570000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.046621970000000, 0.046621970000000, 0.856489330000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.350503540000000, 0.850546300000000, 0.943742340000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.850546300000000, 0.350503540000000, 0.943742340000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.102058278404382, -0.175763127688687, -0.014746954834474 ] # a* - [ 0.102058278404382, 0.175763127688687, -0.014746954834474 ] # b* - [ -0.000007091466110, 0.000000000000000, 0.043551581011250 ] # c*unit_cell: lattice: - [ 9.798553770000000, 0.000000000000000, 0.001595490000000 ] # a - [ 0.000000000000000, 5.689475450000000, 0.000000000000000 ] # b - [ 3.317877940000000, 0.000000000000000, 22.961819190000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.820766880000000, 0.500000000000000, 0.031324680000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.801755780000000, 0.000000000000000, 0.096111650000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.046640010000000, 0.755865730000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.930081520000000, 0.000000000000000, 0.223016530000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.546640010000000, 0.744134270000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.651813540000000, 0.751219320000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.587334590000000, 0.000000000000000, 0.201864260000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.651813540000000, 0.248780680000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.766570130000000, 0.500000000000000, 0.175056450000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.212201590000000, 0.000000000000000, 0.395254260000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.253306410000000, 0.247700670000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.603234480000000, 0.000000000000000, 0.701947430000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.872543670000000, 0.000000000000000, 0.370589640000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.802513150000000, 0.000000000000000, 0.598431610000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.253306410000000, 0.752299330000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.005858740000000, 0.000000000000000, 0.497064330000000 ] mass: 26.981539 reduced_to: 16 - symbol: Al # 17 coordinates: [ 0.348863480000000, 0.745386010000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.195341310000000, 0.000000000000000, 0.907328290000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.946353390000000, 0.249095820000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.397247150000000, 0.000000000000000, 0.806945640000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.348863480000000, 0.254613990000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.446353390000000, 0.250904180000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.073426630000000, 0.000000000000000, 0.779321110000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.173275750000000, 0.500000000000000, 0.973267170000000 ] mass: 26.981539 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.320766880000000, 0.000000000000000, 0.031324680000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 26 coordinates: [ 0.301755780000000, 0.500000000000000, 0.096111650000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 27 coordinates: [ 0.546640010000000, 0.255865730000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 28 coordinates: [ 0.430081520000000, 0.500000000000000, 0.223016530000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 29 coordinates: [ 0.046640010000000, 0.244134270000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 30 coordinates: [ 0.151813540000000, 0.251219320000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 31 coordinates: [ 0.087334590000000, 0.500000000000000, 0.201864260000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 32 coordinates: [ 0.151813540000000, 0.748780680000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 33 coordinates: [ 0.266570130000000, 0.000000000000000, 0.175056450000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 34 coordinates: [ 0.712201590000000, 0.500000000000000, 0.395254260000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 35 coordinates: [ 0.753306410000000, 0.747700670000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 36 coordinates: [ 0.103234480000000, 0.500000000000000, 0.701947430000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 37 coordinates: [ 0.372543670000000, 0.500000000000000, 0.370589640000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 38 coordinates: [ 0.302513150000000, 0.500000000000000, 0.598431610000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 39 coordinates: [ 0.753306410000000, 0.252299330000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 40 coordinates: [ 0.505858740000000, 0.500000000000000, 0.497064330000000 ] mass: 26.981539 reduced_to: 16 - symbol: Al # 41 coordinates: [ 0.848863480000000, 0.245386010000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 42 coordinates: [ 0.695341310000000, 0.500000000000000, 0.907328290000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 43 coordinates: [ 0.446353390000000, 0.749095820000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 44 coordinates: [ 0.897247150000000, 0.500000000000000, 0.806945640000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 45 coordinates: [ 0.848863480000000, 0.754613990000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 46 coordinates: [ 0.946353390000000, 0.750904180000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 47 coordinates: [ 0.573426630000000, 0.500000000000000, 0.779321110000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 48 coordinates: [ 0.673275750000000, 0.000000000000000, 0.973267170000000 ] mass: 26.981539 reduced_to: 24 - symbol: Mg # 49 coordinates: [ 0.535179600000000, 0.000000000000000, 0.415663740000000 ] mass: 24.305000 reduced_to: 49 - symbol: Mg # 50 coordinates: [ 0.127447240000000, 0.000000000000000, 0.624114060000000 ] mass: 24.305000 reduced_to: 50 - symbol: Mg # 51 coordinates: [ 0.221602620000000, 0.500000000000000, 0.834695340000000 ] mass: 24.305000 reduced_to: 51 - symbol: Mg # 52 coordinates: [ 0.477623440000000, 0.000000000000000, 0.572826740000000 ] mass: 24.305000 reduced_to: 52 - symbol: Mg # 53 coordinates: [ 0.035179600000000, 0.500000000000000, 0.415663740000000 ] mass: 24.305000 reduced_to: 49 - symbol: Mg # 54 coordinates: [ 0.627447240000000, 0.500000000000000, 0.624114060000000 ] mass: 24.305000 reduced_to: 50 - symbol: Mg # 55 coordinates: [ 0.721602620000000, 0.000000000000000, 0.834695340000000 ] mass: 24.305000 reduced_to: 51 - symbol: Mg # 56 coordinates: [ 0.977623440000000, 0.500000000000000, 0.572826740000000 ] mass: 24.305000 reduced_to: 52 - symbol: O # 57 coordinates: [ 0.896783850000000, 0.753865000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.949402000000000, 0.000000000000000, 0.142406260000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.396783850000000, 0.746135000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.643002330000000, 0.500000000000000, 0.055538650000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.517624360000000, 0.747069010000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.457101030000000, 0.000000000000000, 0.146537430000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.645454080000000, 0.000000000000000, 0.052004500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.692373320000000, 0.770528980000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.566633530000000, 0.000000000000000, 0.334309170000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.517624360000000, 0.252930990000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.746046260000000, 0.000000000000000, 0.244606590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.692373320000000, 0.229471020000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.609543810000000, 0.274917630000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.559480220000000, 0.500000000000000, 0.347722850000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.739289180000000, 0.500000000000000, 0.251232820000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.609543810000000, 0.725082370000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.284767590000000, 0.751323590000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.156970650000000, 0.000000000000000, 0.542079780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.338889970000000, 0.000000000000000, 0.452097920000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.784767590000000, 0.748676410000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.207987260000000, 0.276304520000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.672476150000000, 0.000000000000000, 0.547309290000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.852705070000000, 0.000000000000000, 0.452591960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.393997620000000, 0.279302580000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.751783400000000, 0.000000000000000, 0.746866500000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.707987260000000, 0.223695480000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.393997620000000, 0.720697420000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.432626750000000, 0.500000000000000, 0.655447180000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.307478020000000, 0.782258060000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.258600720000000, 0.000000000000000, 0.751940560000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.446683230000000, 0.000000000000000, 0.662718300000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.347962000000000, 0.000000000000000, 0.951344630000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.495221090000000, 0.763757840000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.307478020000000, 0.217741940000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.526145020000000, 0.000000000000000, 0.856074370000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.495221090000000, 0.236242160000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.350139040000000, 0.500000000000000, 0.943534570000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.046621970000000, 0.000000000000000, 0.856489330000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.600524920000000, 0.250021380000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.100524920000000, 0.249978620000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.396783850000000, 0.253865000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.449402000000000, 0.500000000000000, 0.142406260000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 99 coordinates: [ 0.896783850000000, 0.246135000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.143002330000000, 0.000000000000000, 0.055538650000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 101 coordinates: [ 0.017624360000000, 0.247069010000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.957101030000000, 0.500000000000000, 0.146537430000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.145454080000000, 0.500000000000000, 0.052004500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.192373320000000, 0.270528980000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.066633530000000, 0.500000000000000, 0.334309170000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.017624360000000, 0.752930990000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.246046260000000, 0.500000000000000, 0.244606590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.192373320000000, 0.729471020000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.109543810000000, 0.774917630000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.059480220000000, 0.000000000000000, 0.347722850000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.239289180000000, 0.000000000000000, 0.251232820000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.109543810000000, 0.225082370000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 113 coordinates: [ 0.784767590000000, 0.251323590000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.656970650000000, 0.500000000000000, 0.542079780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 115 coordinates: [ 0.838889970000000, 0.500000000000000, 0.452097920000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.284767590000000, 0.248676410000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 117 coordinates: [ 0.707987260000000, 0.776304520000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.172476150000000, 0.500000000000000, 0.547309290000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 119 coordinates: [ 0.352705070000000, 0.500000000000000, 0.452591960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.893997620000000, 0.779302580000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 121 coordinates: [ 0.251783400000000, 0.500000000000000, 0.746866500000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 122 coordinates: [ 0.207987260000000, 0.723695480000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 123 coordinates: [ 0.893997620000000, 0.220697420000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 124 coordinates: [ 0.932626750000000, 0.000000000000000, 0.655447180000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 125 coordinates: [ 0.807478020000000, 0.282258060000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.758600720000000, 0.500000000000000, 0.751940560000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 127 coordinates: [ 0.946683230000000, 0.500000000000000, 0.662718300000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 128 coordinates: [ 0.847962000000000, 0.500000000000000, 0.951344630000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 129 coordinates: [ 0.995221090000000, 0.263757840000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 130 coordinates: [ 0.807478020000000, 0.717741940000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 131 coordinates: [ 0.026145020000000, 0.500000000000000, 0.856074370000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.995221090000000, 0.736242160000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 133 coordinates: [ 0.850139040000000, 0.000000000000000, 0.943534570000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 134 coordinates: [ 0.546621970000000, 0.500000000000000, 0.856489330000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 135 coordinates: [ 0.100524920000000, 0.750021380000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 136 coordinates: [ 0.600524920000000, 0.749978620000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 96supercell: lattice: - [ 9.798553770000000, 0.000000000000000, 0.001595490000000 ] # a - [ 0.000000000000000, 5.689475450000000, 0.000000000000000 ] # b - [ 3.317877940000000, 0.000000000000000, 22.961819190000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.820766880000000, 0.500000000000000, 0.031324680000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.801755780000000, 0.000000000000000, 0.096111650000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.046640010000000, 0.755865730000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.930081520000000, 0.000000000000000, 0.223016530000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.546640010000000, 0.744134270000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.651813540000000, 0.751219320000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.587334590000000, 0.000000000000000, 0.201864260000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.651813540000000, 0.248780680000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.766570130000000, 0.500000000000000, 0.175056450000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.212201590000000, 0.000000000000000, 0.395254260000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.253306410000000, 0.247700670000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.603234480000000, 0.000000000000000, 0.701947430000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.872543670000000, 0.000000000000000, 0.370589640000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.802513150000000, 0.000000000000000, 0.598431610000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.253306410000000, 0.752299330000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.005858740000000, 0.000000000000000, 0.497064330000000 ] mass: 26.981539 reduced_to: 16 - symbol: Al # 17 coordinates: [ 0.348863480000000, 0.745386010000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.195341310000000, 0.000000000000000, 0.907328290000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.946353390000000, 0.249095820000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.397247150000000, 0.000000000000000, 0.806945640000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.348863480000000, 0.254613990000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.446353390000000, 0.250904180000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.073426630000000, 0.000000000000000, 0.779321110000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.173275750000000, 0.500000000000000, 0.973267170000000 ] mass: 26.981539 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.320766880000000, 0.000000000000000, 0.031324680000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 26 coordinates: [ 0.301755780000000, 0.500000000000000, 0.096111650000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 27 coordinates: [ 0.546640010000000, 0.255865730000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 28 coordinates: [ 0.430081520000000, 0.500000000000000, 0.223016530000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 29 coordinates: [ 0.046640010000000, 0.244134270000000, 0.095789370000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 30 coordinates: [ 0.151813540000000, 0.251219320000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 31 coordinates: [ 0.087334590000000, 0.500000000000000, 0.201864260000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 32 coordinates: [ 0.151813540000000, 0.748780680000000, 0.296734600000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 33 coordinates: [ 0.266570130000000, 0.000000000000000, 0.175056450000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 34 coordinates: [ 0.712201590000000, 0.500000000000000, 0.395254260000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 35 coordinates: [ 0.753306410000000, 0.747700670000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 36 coordinates: [ 0.103234480000000, 0.500000000000000, 0.701947430000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 37 coordinates: [ 0.372543670000000, 0.500000000000000, 0.370589640000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 38 coordinates: [ 0.302513150000000, 0.500000000000000, 0.598431610000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 39 coordinates: [ 0.753306410000000, 0.252299330000000, 0.497031260000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 40 coordinates: [ 0.505858740000000, 0.500000000000000, 0.497064330000000 ] mass: 26.981539 reduced_to: 16 - symbol: Al # 41 coordinates: [ 0.848863480000000, 0.245386010000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 42 coordinates: [ 0.695341310000000, 0.500000000000000, 0.907328290000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 43 coordinates: [ 0.446353390000000, 0.749095820000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 44 coordinates: [ 0.897247150000000, 0.500000000000000, 0.806945640000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 45 coordinates: [ 0.848863480000000, 0.754613990000000, 0.701941350000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 46 coordinates: [ 0.946353390000000, 0.750904180000000, 0.907266440000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 47 coordinates: [ 0.573426630000000, 0.500000000000000, 0.779321110000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 48 coordinates: [ 0.673275750000000, 0.000000000000000, 0.973267170000000 ] mass: 26.981539 reduced_to: 24 - symbol: Mg # 49 coordinates: [ 0.535179600000000, 0.000000000000000, 0.415663740000000 ] mass: 24.305000 reduced_to: 49 - symbol: Mg # 50 coordinates: [ 0.127447240000000, 0.000000000000000, 0.624114060000000 ] mass: 24.305000 reduced_to: 50 - symbol: Mg # 51 coordinates: [ 0.221602620000000, 0.500000000000000, 0.834695340000000 ] mass: 24.305000 reduced_to: 51 - symbol: Mg # 52 coordinates: [ 0.477623440000000, 0.000000000000000, 0.572826740000000 ] mass: 24.305000 reduced_to: 52 - symbol: Mg # 53 coordinates: [ 0.035179600000000, 0.500000000000000, 0.415663740000000 ] mass: 24.305000 reduced_to: 49 - symbol: Mg # 54 coordinates: [ 0.627447240000000, 0.500000000000000, 0.624114060000000 ] mass: 24.305000 reduced_to: 50 - symbol: Mg # 55 coordinates: [ 0.721602620000000, 0.000000000000000, 0.834695340000000 ] mass: 24.305000 reduced_to: 51 - symbol: Mg # 56 coordinates: [ 0.977623440000000, 0.500000000000000, 0.572826740000000 ] mass: 24.305000 reduced_to: 52 - symbol: O # 57 coordinates: [ 0.896783850000000, 0.753865000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.949402000000000, 0.000000000000000, 0.142406260000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.396783850000000, 0.746135000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.643002330000000, 0.500000000000000, 0.055538650000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.517624360000000, 0.747069010000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.457101030000000, 0.000000000000000, 0.146537430000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.645454080000000, 0.000000000000000, 0.052004500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.692373320000000, 0.770528980000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.566633530000000, 0.000000000000000, 0.334309170000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.517624360000000, 0.252930990000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.746046260000000, 0.000000000000000, 0.244606590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.692373320000000, 0.229471020000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.609543810000000, 0.274917630000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.559480220000000, 0.500000000000000, 0.347722850000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.739289180000000, 0.500000000000000, 0.251232820000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.609543810000000, 0.725082370000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.284767590000000, 0.751323590000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.156970650000000, 0.000000000000000, 0.542079780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.338889970000000, 0.000000000000000, 0.452097920000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.784767590000000, 0.748676410000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.207987260000000, 0.276304520000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.672476150000000, 0.000000000000000, 0.547309290000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.852705070000000, 0.000000000000000, 0.452591960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.393997620000000, 0.279302580000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.751783400000000, 0.000000000000000, 0.746866500000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.707987260000000, 0.223695480000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.393997620000000, 0.720697420000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.432626750000000, 0.500000000000000, 0.655447180000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.307478020000000, 0.782258060000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.258600720000000, 0.000000000000000, 0.751940560000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.446683230000000, 0.000000000000000, 0.662718300000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.347962000000000, 0.000000000000000, 0.951344630000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.495221090000000, 0.763757840000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.307478020000000, 0.217741940000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.526145020000000, 0.000000000000000, 0.856074370000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.495221090000000, 0.236242160000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.350139040000000, 0.500000000000000, 0.943534570000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.046621970000000, 0.000000000000000, 0.856489330000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.600524920000000, 0.250021380000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.100524920000000, 0.249978620000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.396783850000000, 0.253865000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.449402000000000, 0.500000000000000, 0.142406260000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 99 coordinates: [ 0.896783850000000, 0.246135000000000, 0.055522510000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.143002330000000, 0.000000000000000, 0.055538650000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 101 coordinates: [ 0.017624360000000, 0.247069010000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.957101030000000, 0.500000000000000, 0.146537430000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.145454080000000, 0.500000000000000, 0.052004500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.192373320000000, 0.270528980000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.066633530000000, 0.500000000000000, 0.334309170000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.017624360000000, 0.752930990000000, 0.242999970000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.246046260000000, 0.500000000000000, 0.244606590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.192373320000000, 0.729471020000000, 0.144840750000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.109543810000000, 0.774917630000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.059480220000000, 0.000000000000000, 0.347722850000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.239289180000000, 0.000000000000000, 0.251232820000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.109543810000000, 0.225082370000000, 0.452988890000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 113 coordinates: [ 0.784767590000000, 0.251323590000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.656970650000000, 0.500000000000000, 0.542079780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 115 coordinates: [ 0.838889970000000, 0.500000000000000, 0.452097920000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.284767590000000, 0.248676410000000, 0.351442880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 117 coordinates: [ 0.707987260000000, 0.776304520000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.172476150000000, 0.500000000000000, 0.547309290000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 119 coordinates: [ 0.352705070000000, 0.500000000000000, 0.452591960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.893997620000000, 0.779302580000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 121 coordinates: [ 0.251783400000000, 0.500000000000000, 0.746866500000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 122 coordinates: [ 0.207987260000000, 0.723695480000000, 0.655322270000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 123 coordinates: [ 0.893997620000000, 0.220697420000000, 0.547540110000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 124 coordinates: [ 0.932626750000000, 0.000000000000000, 0.655447180000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 125 coordinates: [ 0.807478020000000, 0.282258060000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.758600720000000, 0.500000000000000, 0.751940560000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 127 coordinates: [ 0.946683230000000, 0.500000000000000, 0.662718300000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 128 coordinates: [ 0.847962000000000, 0.500000000000000, 0.951344630000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 129 coordinates: [ 0.995221090000000, 0.263757840000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 130 coordinates: [ 0.807478020000000, 0.717741940000000, 0.855941000000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 131 coordinates: [ 0.026145020000000, 0.500000000000000, 0.856074370000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.995221090000000, 0.736242160000000, 0.752062160000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 133 coordinates: [ 0.850139040000000, 0.000000000000000, 0.943534570000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 134 coordinates: [ 0.546621970000000, 0.500000000000000, 0.856489330000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 135 coordinates: [ 0.100524920000000, 0.750021380000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 136 coordinates: [ 0.600524920000000, 0.749978620000000, 0.943742340000000 ] mass: 15.999400 reduced_to: 96displacements:- atom: 1 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.2928477100000000, 0.0000000000000000, -0.0019251300000000 ] - [ -0.0247431000000000, 0.0000000000000000, 0.0097321800000000 ] - [ 0.0158255800000000, 0.0084338700000000, 0.0115078700000000 ] - [ -0.0020970500000000, 0.0000000000000000, 0.0037836700000000 ] - [ 0.0162159500000000, -0.0171794700000000, -0.0167209600000000 ] - [ -0.0008738000000000, 0.0001141100000000, -0.0006607000000000 ] - [ 0.0001174500000000, 0.0000000000000000, -0.0031725800000000 ] - [ -0.0008738000000000, -0.0001141100000000, -0.0006607000000000 ] - [ -0.0124206700000000, 0.0000000000000000, -0.0003638400000000 ] - [ 0.0002765200000000, 0.0000000000000000, 0.0000337900000000 ] - [ 0.0001641000000000, -0.0000740000000000, -0.0003925300000000 ] - [ 0.0000003800000000, 0.0000000000000000, 0.0000314700000000 ] - [ -0.0000881100000000, 0.0000000000000000, 0.0001494200000000 ] - [ -0.0000358800000000, 0.0000000000000000, -0.0003060000000000 ] - [ 0.0001641000000000, 0.0000740000000000, -0.0003925300000000 ] - [ 0.0003269900000000, 0.0000000000000000, -0.0001215000000000 ] - [ 0.0003743200000000, 0.0000153300000000, -0.0000787600000000 ] - [ 0.0044436200000000, 0.0000000000000000, -0.0031814700000000 ] - [ -0.0051687800000000, -0.0000765000000000, -0.0057461800000000 ] - [ 0.0017074200000000, 0.0000000000000000, 0.0006000400000000 ] - [ 0.0003743200000000, -0.0000153300000000, -0.0000787600000000 ] - [ 0.0054347500000000, -0.0004501800000000, 0.0023030600000000 ] - [ 0.0001475900000000, 0.0000000000000000, -0.0007005400000000 ] - [ 0.0153156500000000, 0.0000000000000000, -0.0088515300000000 ] - [ 0.0089085300000000, 0.0000000000000000, 0.0008670500000000 ] - [ 0.0133350800000000, 0.0000000000000000, 0.0007854300000000 ] - [ 0.0162159500000000, 0.0171794700000000, -0.0167209600000000 ] - [ 0.0010180900000000, 0.0000000000000000, -0.0045082900000000 ] - [ 0.0158255800000000, -0.0084338700000000, 0.0115078700000000 ] - [ 0.0011656700000000, 0.0002109500000000, 0.0005425400000000 ] - [ 0.0041385700000000, 0.0000000000000000, 0.0033215500000000 ] - [ 0.0011656700000000, -0.0002109500000000, 0.0005425400000000 ] - [ 0.0048533100000000, 0.0000000000000000, -0.0002567100000000 ] - [ -0.0002295100000000, 0.0000000000000000, -0.0000944200000000 ] - [ 0.0000343800000000, -0.0000795000000000, -0.0003701300000000 ] - [ 0.0000797100000000, 0.0000000000000000, -0.0004182700000000 ] - [ 0.0006062000000000, 0.0000000000000000, -0.0003973100000000 ] - [ 0.0001009600000000, 0.0000000000000000, -0.0003788600000000 ] - [ 0.0000343800000000, 0.0000795000000000, -0.0003701300000000 ] - [ 0.0003822700000000, 0.0000000000000000, -0.0002221900000000 ] - [ -0.0002280400000000, 0.0000412400000000, 0.0000411100000000 ] - [ -0.0042400100000000, 0.0000000000000000, 0.0126473100000000 ] - [ 0.0054347500000000, 0.0004501800000000, 0.0023030600000000 ] - [ -0.0006668000000000, 0.0000000000000000, 0.0004769700000000 ] - [ -0.0002280400000000, -0.0000412400000000, 0.0000411100000000 ] - [ -0.0051687800000000, 0.0000765000000000, -0.0057461800000000 ] - [ 0.0002397700000000, 0.0000000000000000, 0.0014323100000000 ] - [ -0.0044948900000000, 0.0000000000000000, 0.0081116000000000 ] - [ -0.0000850900000000, 0.0000000000000000, -0.0003648900000000 ] - [ 0.0000204600000000, 0.0000000000000000, -0.0000347300000000 ] - [ 0.0008756300000000, 0.0000000000000000, -0.0009269200000000 ] - [ 0.0000069300000000, 0.0000000000000000, -0.0002639500000000 ] - [ -0.0000860300000000, 0.0000000000000000, -0.0000738300000000 ] - [ 0.0000300700000000, 0.0000000000000000, 0.0000523500000000 ] - [ -0.0011413400000000, 0.0000000000000000, 0.0019266100000000 ] - [ -0.0000298500000000, 0.0000000000000000, -0.0002744900000000 ] - [ 0.0546172500000000, 0.0541438600000000, 0.0195760000000000 ] - [ -0.0019213800000000, 0.0000000000000000, -0.0081584700000000 ] - [ -0.0095962000000000, 0.0019395200000000, -0.0003232800000000 ] - [ 0.1387212300000000, 0.0000000000000000, -0.0368939200000000 ] - [ 0.0003115900000000, -0.0000893600000000, 0.0010498300000000 ] - [ -0.0023661500000000, 0.0000000000000000, 0.0022808500000000 ] - [ 0.0059684900000000, 0.0000000000000000, 0.0024768500000000 ] - [ 0.0088142300000000, 0.0042645300000000, 0.0041382500000000 ] - [ -0.0002708500000000, 0.0000000000000000, 0.0000419700000000 ] - [ 0.0003115900000000, 0.0000893600000000, 0.0010498300000000 ] - [ 0.0020467500000000, 0.0000000000000000, 0.0005282400000000 ] - [ 0.0088142300000000, -0.0042645300000000, 0.0041382500000000 ] - [ 0.0000201900000000, 0.0000414100000000, 0.0000018800000000 ] - [ 0.0003851000000000, 0.0000000000000000, 0.0002099200000000 ] - [ 0.0016243300000000, 0.0000000000000000, 0.0000552800000000 ] - [ 0.0000201900000000, -0.0000414100000000, 0.0000018800000000 ] - [ -0.0003463800000000, -0.0000823000000000, 0.0000489500000000 ] - [ -0.0000691500000000, 0.0000000000000000, 0.0000678900000000 ] - [ -0.0002429100000000, 0.0000000000000000, -0.0003065200000000 ] - [ 0.0002504000000000, 0.0001767100000000, 0.0000656900000000 ] - [ -0.0000542600000000, -0.0000475400000000, 0.0002352700000000 ] - [ 0.0001537600000000, 0.0000000000000000, -0.0002471500000000 ] - [ 0.0002298700000000, 0.0000000000000000, -0.0002505600000000 ] - [ -0.0001145800000000, -0.0000311400000000, -0.0004881900000000 ] - [ 0.0003246500000000, 0.0000000000000000, -0.0000129400000000 ] - [ 0.0000122700000000, 0.0000427900000000, 0.0000898500000000 ] - [ -0.0001145800000000, 0.0000311400000000, -0.0004881900000000 ] - [ -0.0002969500000000, 0.0000000000000000, -0.0002203800000000 ] - [ -0.0019276600000000, 0.0000561300000000, 0.0011091600000000 ] - [ 0.0001245700000000, 0.0000000000000000, 0.0004500300000000 ] - [ -0.0000580000000000, 0.0000000000000000, -0.0001832700000000 ] - [ -0.0041207500000000, 0.0000000000000000, -0.0000784800000000 ] - [ -0.0003487300000000, 0.0002230000000000, 0.0001390600000000 ] - [ -0.0019276600000000, -0.0000561300000000, 0.0011091600000000 ] - [ -0.0018461500000000, 0.0000000000000000, -0.0015301500000000 ] - [ -0.0003487300000000, -0.0002230000000000, 0.0001390600000000 ] - [ -0.0044790200000000, 0.0000000000000000, 0.0011953800000000 ] - [ 0.0013362700000000, 0.0000000000000000, 0.0021646800000000 ] - [ -0.0026436700000000, -0.0010797900000000, -0.0051892500000000 ] - [ -0.0023000000000000, 0.0023395200000000, 0.0055160100000000 ] - [ -0.0095962000000000, -0.0019395200000000, -0.0003232800000000 ] - [ -0.0076293300000000, 0.0000000000000000, 0.0077544600000000 ] - [ 0.0546172500000000, -0.0541438600000000, 0.0195760000000000 ] - [ -0.0068586200000000, 0.0000000000000000, -0.0005358400000000 ] - [ -0.0011144600000000, 0.0001359100000000, -0.0022523800000000 ] - [ -0.0018197000000000, 0.0000000000000000, -0.0079224900000000 ] - [ -0.0116126200000000, 0.0000000000000000, -0.0028094400000000 ] - [ -0.0046776600000000, 0.0007739500000000, -0.0016516400000000 ] - [ -0.0007563900000000, 0.0000000000000000, -0.0007255800000000 ] - [ -0.0011144600000000, -0.0001359100000000, -0.0022523800000000 ] - [ -0.0020385800000000, 0.0000000000000000, 0.0002253400000000 ] - [ -0.0046776600000000, -0.0007739500000000, -0.0016516400000000 ] - [ -0.0000759800000000, 0.0000480300000000, -0.0001070100000000 ] - [ -0.0000129900000000, 0.0000000000000000, -0.0004848300000000 ] - [ -0.0007871000000000, 0.0000000000000000, 0.0001440500000000 ] - [ -0.0000759800000000, -0.0000480300000000, -0.0001070100000000 ] - [ 0.0002504000000000, -0.0001767100000000, 0.0000656900000000 ] - [ -0.0000356400000000, 0.0000000000000000, 0.0000736900000000 ] - [ -0.0001222500000000, 0.0000000000000000, -0.0003525700000000 ] - [ -0.0003463800000000, 0.0000823000000000, 0.0000489500000000 ] - [ 0.0000122700000000, -0.0000427900000000, 0.0000898500000000 ] - [ 0.0001112900000000, 0.0000000000000000, -0.0002237500000000 ] - [ 0.0001188100000000, 0.0000000000000000, -0.0001740900000000 ] - [ -0.0000647800000000, -0.0000304600000000, -0.0005133200000000 ] - [ -0.0000316400000000, 0.0000000000000000, 0.0003370300000000 ] - [ -0.0000542600000000, 0.0000475400000000, 0.0002352700000000 ] - [ -0.0000647800000000, 0.0000304600000000, -0.0005133200000000 ] - [ -0.0000956900000000, 0.0000000000000000, -0.0001804500000000 ] - [ 0.0017420100000000, 0.0005511000000000, 0.0002912200000000 ] - [ 0.0007170600000000, 0.0000000000000000, -0.0000617200000000 ] - [ 0.0001778900000000, 0.0000000000000000, -0.0000731500000000 ] - [ 0.0230034600000000, 0.0000000000000000, 0.0009933500000000 ] - [ 0.0002478400000000, 0.0000774400000000, 0.0007439100000000 ] - [ 0.0017420100000000, -0.0005511000000000, 0.0002912200000000 ] - [ 0.0022865500000000, 0.0000000000000000, 0.0006439900000000 ] - [ 0.0002478400000000, -0.0000774400000000, 0.0007439100000000 ] - [ 0.0059434500000000, 0.0000000000000000, 0.0009069800000000 ] - [ -0.0009179400000000, 0.0000000000000000, -0.0020491900000000 ] - [ -0.0023000000000000, -0.0023395200000000, 0.0055160100000000 ] - [ -0.0026436700000000, 0.0010797900000000, -0.0051892500000000 ]- atom: 1 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.3017776800000000, 0.0000000000000000, -0.0030439800000000 ] - [ 0.0247345500000000, 0.0000000000000000, -0.0105919900000000 ] - [ -0.0157085500000000, -0.0082038300000000, -0.0114583200000000 ] - [ 0.0018632400000000, 0.0000000000000000, -0.0045185900000000 ] - [ -0.0161332000000000, 0.0171023500000000, 0.0167553900000000 ] - [ 0.0008367700000000, -0.0001047900000000, 0.0006708400000000 ] - [ -0.0003066500000000, 0.0000000000000000, 0.0033329000000000 ] - [ 0.0008367700000000, 0.0001047900000000, 0.0006708400000000 ] - [ 0.0122221900000000, 0.0000000000000000, 0.0003931600000000 ] - [ -0.0002820500000000, 0.0000000000000000, -0.0000822900000000 ] - [ 0.0000319800000000, -0.0000740700000000, -0.0003498000000000 ] - [ 0.0000981500000000, 0.0000000000000000, -0.0004539600000000 ] - [ 0.0006923600000000, 0.0000000000000000, -0.0003767500000000 ] - [ 0.0000928400000000, 0.0000000000000000, -0.0003556700000000 ] - [ 0.0000319800000000, 0.0000740700000000, -0.0003498000000000 ] - [ 0.0003821700000000, 0.0000000000000000, -0.0002106800000000 ] - [ -0.0002590800000000, 0.0000683500000000, 0.0000805500000000 ] - [ -0.0046811700000000, 0.0000000000000000, 0.0037427900000000 ] - [ 0.0048386300000000, 0.0003536900000000, 0.0067530600000000 ] - [ -0.0012942300000000, 0.0000000000000000, 0.0004769800000000 ] - [ -0.0002590800000000, -0.0000683500000000, 0.0000805500000000 ] - [ -0.0056592300000000, 0.0002142500000000, -0.0013741500000000 ] - [ 0.0002383200000000, 0.0000000000000000, 0.0014574000000000 ] - [ -0.0151262400000000, 0.0000000000000000, 0.0084850300000000 ] - [ -0.0086209200000000, 0.0000000000000000, -0.0002667600000000 ] - [ -0.0133850000000000, 0.0000000000000000, -0.0014965400000000 ] - [ -0.0161332000000000, -0.0171023500000000, 0.0167553900000000 ] - [ -0.0012441700000000, 0.0000000000000000, 0.0037931100000000 ] - [ -0.0157085500000000, 0.0082038300000000, -0.0114583200000000 ] - [ -0.0012057000000000, -0.0002007100000000, -0.0005277700000000 ] - [ -0.0043435200000000, 0.0000000000000000, -0.0031408700000000 ] - [ -0.0012057000000000, 0.0002007100000000, -0.0005277700000000 ] - [ -0.0050456600000000, 0.0000000000000000, 0.0003907200000000 ] - [ 0.0002239700000000, 0.0000000000000000, 0.0000447800000000 ] - [ 0.0001619500000000, -0.0000685600000000, -0.0003723200000000 ] - [ 0.0000097600000000, 0.0000000000000000, -0.0000000200000000 ] - [ 0.0000001900000000, 0.0000000000000000, 0.0001699200000000 ] - [ -0.0000450600000000, 0.0000000000000000, -0.0002841400000000 ] - [ 0.0001619500000000, 0.0000685600000000, -0.0003723200000000 ] - [ 0.0003276400000000, 0.0000000000000000, -0.0001104900000000 ] - [ 0.0003451500000000, 0.0000433600000000, -0.0000329900000000 ] - [ 0.0041149600000000, 0.0000000000000000, -0.0121104600000000 ] - [ -0.0056592300000000, -0.0002142500000000, -0.0013741500000000 ] - [ 0.0010731600000000, 0.0000000000000000, 0.0006345500000000 ] - [ 0.0003451500000000, -0.0000433600000000, -0.0000329900000000 ] - [ 0.0048386300000000, -0.0003536900000000, 0.0067530600000000 ] - [ 0.0001641400000000, 0.0000000000000000, -0.0006820800000000 ] - [ 0.0046751100000000, 0.0000000000000000, -0.0083728600000000 ] - [ -0.0000826400000000, 0.0000000000000000, -0.0000612600000000 ] - [ 0.0000361600000000, 0.0000000000000000, 0.0000664800000000 ] - [ -0.0006220600000000, 0.0000000000000000, 0.0019374700000000 ] - [ -0.0000284700000000, 0.0000000000000000, -0.0002607000000000 ] - [ -0.0000822000000000, 0.0000000000000000, -0.0003519100000000 ] - [ 0.0000285300000000, 0.0000000000000000, -0.0000212100000000 ] - [ 0.0014255900000000, 0.0000000000000000, -0.0009058900000000 ] - [ 0.0000079700000000, 0.0000000000000000, -0.0002488700000000 ] - [ -0.0544470600000000, -0.0524243000000000, -0.0186882900000000 ] - [ 0.0017678300000000, 0.0000000000000000, 0.0077173900000000 ] - [ 0.0095609400000000, -0.0020132300000000, 0.0005175300000000 ] - [ -0.1483137300000000, 0.0000000000000000, 0.0394303400000000 ] - [ -0.0005746800000000, -0.0001371900000000, -0.0017171100000000 ] - [ 0.0019634800000000, 0.0000000000000000, -0.0022722700000000 ] - [ -0.0064493100000000, 0.0000000000000000, -0.0026265800000000 ] - [ -0.0090206200000000, -0.0042565100000000, -0.0044795000000000 ] - [ -0.0006312200000000, 0.0000000000000000, -0.0007830700000000 ] - [ -0.0005746800000000, 0.0001371900000000, -0.0017171100000000 ] - [ -0.0022136200000000, 0.0000000000000000, -0.0009810600000000 ] - [ -0.0090206200000000, 0.0042565100000000, -0.0044795000000000 ] - [ -0.0000690300000000, 0.0000433400000000, -0.0001151700000000 ] - [ 0.0000088000000000, 0.0000000000000000, -0.0003736100000000 ] - [ -0.0010467300000000, 0.0000000000000000, 0.0001651000000000 ] - [ -0.0000690300000000, -0.0000433400000000, -0.0001151700000000 ] - [ 0.0002410900000000, -0.0002150300000000, -0.0000043300000000 ] - [ -0.0000344200000000, 0.0000000000000000, 0.0000605200000000 ] - [ -0.0001219100000000, 0.0000000000000000, -0.0003777900000000 ] - [ -0.0003546700000000, 0.0001207700000000, -0.0000196200000000 ] - [ 0.0000135100000000, -0.0000401200000000, 0.0000680800000000 ] - [ 0.0001111500000000, 0.0000000000000000, -0.0002363900000000 ] - [ 0.0001118700000000, 0.0000000000000000, -0.0001872700000000 ] - [ -0.0000635400000000, -0.0000306500000000, -0.0005258800000000 ] - [ -0.0001105800000000, 0.0000000000000000, 0.0003219900000000 ] - [ -0.0000561900000000, 0.0000451700000000, 0.0002124400000000 ] - [ -0.0000635400000000, 0.0000306500000000, -0.0005258800000000 ] - [ -0.0000898100000000, 0.0000000000000000, -0.0001738900000000 ] - [ 0.0019672100000000, 0.0002686700000000, -0.0006915100000000 ] - [ 0.0006926300000000, 0.0000000000000000, -0.0001535900000000 ] - [ 0.0001859400000000, 0.0000000000000000, -0.0000839100000000 ] - [ 0.0040310100000000, 0.0000000000000000, 0.0008254800000000 ] - [ 0.0003354900000000, 0.0001497900000000, 0.0007785300000000 ] - [ 0.0019672100000000, -0.0002686700000000, -0.0006915100000000 ] - [ 0.0019785600000000, 0.0000000000000000, 0.0026547700000000 ] - [ 0.0003354900000000, -0.0001497900000000, 0.0007785300000000 ] - [ 0.0045846400000000, 0.0000000000000000, -0.0005043900000000 ] - [ -0.0009088800000000, 0.0000000000000000, -0.0020737300000000 ] - [ 0.0024952600000000, 0.0013412400000000, 0.0061922600000000 ] - [ 0.0021792600000000, -0.0025531300000000, -0.0045054600000000 ] - [ 0.0095609400000000, 0.0020132300000000, 0.0005175300000000 ] - [ 0.0073857500000000, 0.0000000000000000, -0.0082296300000000 ] - [ -0.0544470600000000, 0.0524243000000000, -0.0186882900000000 ] - [ 0.0062063100000000, 0.0000000000000000, -0.0005094800000000 ] - [ 0.0008609100000000, -0.0003579800000000, 0.0015846600000000 ] - [ 0.0014705000000000, 0.0000000000000000, 0.0079301200000000 ] - [ 0.0110763700000000, 0.0000000000000000, 0.0026072600000000 ] - [ 0.0045083300000000, -0.0007453500000000, 0.0012953700000000 ] - [ -0.0001444900000000, 0.0000000000000000, -0.0000164800000000 ] - [ 0.0008609100000000, 0.0003579800000000, 0.0015846600000000 ] - [ 0.0018701000000000, 0.0000000000000000, -0.0006841700000000 ] - [ 0.0045083300000000, 0.0007453500000000, 0.0012953700000000 ] - [ 0.0000272800000000, 0.0000367600000000, -0.0000067000000000 ] - [ 0.0004082100000000, 0.0000000000000000, 0.0003200100000000 ] - [ 0.0013645700000000, 0.0000000000000000, 0.0000683300000000 ] - [ 0.0000272800000000, -0.0000367600000000, -0.0000067000000000 ] - [ -0.0003546700000000, -0.0001207700000000, -0.0000196200000000 ] - [ -0.0000683700000000, 0.0000000000000000, 0.0000547800000000 ] - [ -0.0002422000000000, 0.0000000000000000, -0.0003315000000000 ] - [ 0.0002410900000000, 0.0002150300000000, -0.0000043300000000 ] - [ -0.0000561900000000, -0.0000451700000000, 0.0002124400000000 ] - [ 0.0001541800000000, 0.0000000000000000, -0.0002596700000000 ] - [ 0.0002225600000000, 0.0000000000000000, -0.0002632300000000 ] - [ -0.0001133500000000, -0.0000314900000000, -0.0005015200000000 ] - [ 0.0002539400000000, 0.0000000000000000, -0.0000224000000000 ] - [ 0.0000135100000000, 0.0000401200000000, 0.0000680800000000 ] - [ -0.0001133500000000, 0.0000314900000000, -0.0005015200000000 ] - [ -0.0002910200000000, 0.0000000000000000, -0.0002165400000000 ] - [ -0.0017218600000000, -0.0002402400000000, 0.0000739800000000 ] - [ 0.0000914300000000, 0.0000000000000000, 0.0003497200000000 ] - [ -0.0000496200000000, 0.0000000000000000, -0.0001972700000000 ] - [ -0.0231107100000000, 0.0000000000000000, 0.0001933100000000 ] - [ -0.0002562500000000, 0.0002938000000000, 0.0001649900000000 ] - [ -0.0017218600000000, 0.0002402400000000, 0.0000739800000000 ] - [ -0.0021198800000000, 0.0000000000000000, 0.0004455000000000 ] - [ -0.0002562500000000, -0.0002938000000000, 0.0001649900000000 ] - [ -0.0058252600000000, 0.0000000000000000, -0.0002645500000000 ] - [ 0.0013117700000000, 0.0000000000000000, 0.0021459800000000 ] - [ 0.0021792600000000, 0.0025531300000000, -0.0045054600000000 ] - [ 0.0024952600000000, -0.0013412400000000, 0.0061922600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0040819300000000, -0.2877406400000000, -0.0024893100000000 ] - [ 0.0000408600000000, 0.0456706500000000, -0.0002453500000000 ] - [ 0.0175632600000000, 0.0020283600000000, 0.0108695300000000 ] - [ -0.0001117500000000, -0.0003898400000000, -0.0003676200000000 ] - [ -0.0078471500000000, 0.0007894400000000, 0.0013108200000000 ] - [ 0.0002331700000000, 0.0000098700000000, 0.0002506300000000 ] - [ -0.0000977000000000, 0.0038335800000000, 0.0000906800000000 ] - [ -0.0002685600000000, -0.0000003200000000, -0.0002364900000000 ] - [ -0.0000898900000000, -0.0072312000000000, 0.0000239600000000 ] - [ -0.0000034100000000, 0.0000288100000000, -0.0000246500000000 ] - [ 0.0000959700000000, -0.0000737100000000, -0.0003736000000000 ] - [ 0.0000470100000000, 0.0000165200000000, -0.0002104300000000 ] - [ 0.0003039500000000, -0.0000311300000000, -0.0001138300000000 ] - [ 0.0000284500000000, 0.0000049200000000, -0.0003308300000000 ] - [ 0.0001003000000000, 0.0000741400000000, -0.0003689700000000 ] - [ 0.0003546100000000, 0.0000037500000000, -0.0001662700000000 ] - [ 0.0000501700000000, 0.0000413700000000, -0.0000109200000000 ] - [ -0.0001171500000000, 0.0026398300000000, 0.0002967800000000 ] - [ 0.0007387000000000, 0.0006467000000000, 0.0085219900000000 ] - [ 0.0002060100000000, 0.0002173100000000, 0.0005445900000000 ] - [ 0.0000658500000000, -0.0000418500000000, 0.0000152000000000 ] - [ 0.0006171300000000, -0.0001560300000000, 0.0008255100000000 ] - [ 0.0001961400000000, -0.0000414200000000, 0.0003760300000000 ] - [ 0.0000064000000000, -0.0048730900000000, -0.0001084600000000 ] - [ 0.0001309800000000, -0.0005794600000000, 0.0002998200000000 ] - [ -0.0000633400000000, 0.0006455300000000, -0.0003839600000000 ] - [ 0.0079562300000000, 0.0010184000000000, -0.0013304200000000 ] - [ -0.0001191100000000, -0.0007439400000000, -0.0003602400000000 ] - [ -0.0174223100000000, 0.0019039700000000, -0.0109328700000000 ] - [ 0.0000933200000000, 0.0000059900000000, 0.0000635900000000 ] - [ -0.0001011200000000, 0.0005056300000000, 0.0000796500000000 ] - [ -0.0001347900000000, -0.0000040200000000, -0.0000542300000000 ] - [ -0.0001085300000000, -0.0000340400000000, 0.0000600300000000 ] - [ -0.0000025500000000, 0.0000247500000000, -0.0000243300000000 ] - [ 0.0000965300000000, -0.0000737800000000, -0.0003733200000000 ] - [ 0.0000468000000000, 0.0000296900000000, -0.0002094400000000 ] - [ 0.0003025800000000, -0.0000582200000000, -0.0001129800000000 ] - [ 0.0000282000000000, 0.0000036800000000, -0.0003308400000000 ] - [ 0.0001002500000000, 0.0000741000000000, -0.0003693200000000 ] - [ 0.0003545000000000, 0.0000031600000000, -0.0001660600000000 ] - [ 0.0000404500000000, 0.0000422600000000, -0.0000287700000000 ] - [ -0.0000800600000000, -0.0020436000000000, 0.0003308400000000 ] - [ -0.0008488500000000, 0.0000805700000000, 0.0001228500000000 ] - [ 0.0002120400000000, 0.0004149300000000, 0.0005492500000000 ] - [ 0.0000771600000000, -0.0000415100000000, 0.0000333800000000 ] - [ -0.0009283500000000, 0.0002710900000000, -0.0076094800000000 ] - [ 0.0001969800000000, 0.0000363800000000, 0.0003775400000000 ] - [ -0.0000595700000000, 0.0152846400000000, -0.0002019400000000 ] - [ -0.0000841000000000, -0.0000063300000000, -0.0002124600000000 ] - [ 0.0000288100000000, -0.0000069000000000, 0.0000159200000000 ] - [ 0.0001290600000000, -0.0004276200000000, 0.0005119600000000 ] - [ -0.0000109100000000, 0.0000027800000000, -0.0002620700000000 ] - [ -0.0000840200000000, -0.0000071000000000, -0.0002135100000000 ] - [ 0.0000288200000000, -0.0000064200000000, 0.0000158300000000 ] - [ 0.0001290200000000, -0.0001166300000000, 0.0005036700000000 ] - [ -0.0000107500000000, 0.0000025900000000, -0.0002619700000000 ] - [ 0.0526971100000000, 0.1081548600000000, 0.0338759100000000 ] - [ -0.0000944000000000, -0.0096129200000000, -0.0002064100000000 ] - [ -0.0005776900000000, 0.0002602700000000, -0.0000088800000000 ] - [ 0.0000750500000000, 0.0210624600000000, -0.0006436800000000 ] - [ 0.0003205500000000, 0.0001261200000000, -0.0011843500000000 ] - [ -0.0001826900000000, -0.0007420900000000, -0.0000034800000000 ] - [ -0.0001593600000000, -0.0098460100000000, -0.0001148400000000 ] - [ 0.0048387400000000, -0.0015240500000000, -0.0050629700000000 ] - [ -0.0004513900000000, -0.0000876200000000, -0.0003711900000000 ] - [ -0.0005775900000000, 0.0003495100000000, 0.0005103200000000 ] - [ -0.0000862400000000, -0.0005193200000000, -0.0002280200000000 ] - [ -0.0050045300000000, -0.0015751900000000, 0.0047001200000000 ] - [ -0.0000233600000000, 0.0000416600000000, -0.0000618100000000 ] - [ 0.0001967700000000, 0.0000519700000000, -0.0000813500000000 ] - [ 0.0002867600000000, 0.0005240400000000, 0.0001083700000000 ] - [ -0.0000253100000000, -0.0000431400000000, -0.0000504500000000 ] - [ -0.0000275200000000, -0.0001571300000000, -0.0000069400000000 ] - [ -0.0000519900000000, -0.0000008100000000, 0.0000647800000000 ] - [ -0.0001823500000000, -0.0000034600000000, -0.0003408300000000 ] - [ -0.0000478500000000, 0.0001474700000000, 0.0000560100000000 ] - [ -0.0000236100000000, -0.0000447000000000, 0.0001589700000000 ] - [ 0.0001330300000000, -0.0000004300000000, -0.0002416800000000 ] - [ 0.0001705600000000, 0.0000028000000000, -0.0002186800000000 ] - [ -0.0000894100000000, -0.0000307400000000, -0.0005072200000000 ] - [ 0.0001086300000000, 0.0000607300000000, 0.0001558100000000 ] - [ -0.0000211800000000, 0.0000416400000000, 0.0001431100000000 ] - [ -0.0000891100000000, 0.0000301600000000, -0.0005069500000000 ] - [ -0.0001941000000000, -0.0000002600000000, -0.0001971600000000 ] - [ -0.0003957400000000, 0.0000370400000000, 0.0006462900000000 ] - [ 0.0004065900000000, -0.0000303900000000, 0.0001474900000000 ] - [ 0.0000640500000000, -0.0000010700000000, -0.0001341500000000 ] - [ -0.0000408300000000, -0.0004874800000000, 0.0003687400000000 ] - [ -0.0000449200000000, 0.0001856500000000, 0.0004752600000000 ] - [ 0.0004378400000000, -0.0002901400000000, -0.0002431100000000 ] - [ 0.0000679600000000, -0.0004951800000000, 0.0005553500000000 ] - [ 0.0000339000000000, -0.0001868300000000, 0.0004382800000000 ] - [ 0.0000600600000000, 0.0005982500000000, 0.0003347600000000 ] - [ 0.0001927300000000, -0.0004016200000000, 0.0000499800000000 ] - [ -0.0017580600000000, 0.0000000600000000, -0.0010075900000000 ] - [ 0.0018797100000000, -0.0007143400000000, -0.0022246600000000 ] - [ 0.0005740900000000, 0.0003102300000000, 0.0002156100000000 ] - [ -0.0001134800000000, 0.0000941100000000, -0.0002455500000000 ] - [ -0.0489729700000000, 0.1028095800000000, -0.0310828100000000 ] - [ -0.0003213400000000, -0.0054454600000000, -0.0005212700000000 ] - [ -0.0003349300000000, -0.0000564100000000, -0.0007078500000000 ] - [ -0.0001994000000000, 0.0076579500000000, -0.0000031500000000 ] - [ -0.0002208200000000, 0.0055634300000000, -0.0000654800000000 ] - [ 0.0000193500000000, -0.0000012400000000, -0.0001515700000000 ] - [ -0.0004507800000000, -0.0000460500000000, -0.0003696200000000 ] - [ 0.0000792500000000, 0.0001672900000000, 0.0000458000000000 ] - [ -0.0000808300000000, 0.0000424600000000, -0.0002271100000000 ] - [ -0.0001796600000000, -0.0000160800000000, -0.0001778300000000 ] - [ -0.0000220400000000, 0.0000412500000000, -0.0000627400000000 ] - [ 0.0001973200000000, 0.0000252200000000, -0.0000799400000000 ] - [ 0.0002906200000000, 0.0000040300000000, 0.0001090400000000 ] - [ -0.0000264400000000, -0.0000435400000000, -0.0000490300000000 ] - [ -0.0000585500000000, -0.0001488200000000, -0.0000088200000000 ] - [ -0.0000520600000000, -0.0000004700000000, 0.0000646900000000 ] - [ -0.0001825300000000, -0.0000035200000000, -0.0003407400000000 ] - [ -0.0000766100000000, 0.0001396700000000, 0.0000544400000000 ] - [ -0.0000206200000000, -0.0000449500000000, 0.0001616600000000 ] - [ 0.0001332200000000, -0.0000000700000000, -0.0002416800000000 ] - [ 0.0001707800000000, 0.0000026200000000, -0.0002185700000000 ] - [ -0.0000893400000000, -0.0000308500000000, -0.0005072300000000 ] - [ 0.0001101300000000, 0.0000159200000000, 0.0001552300000000 ] - [ -0.0000175200000000, 0.0000417300000000, 0.0001454300000000 ] - [ -0.0000892600000000, 0.0000302000000000, -0.0005070400000000 ] - [ -0.0001941400000000, 0.0000022500000000, -0.0001974200000000 ] - [ 0.0007199100000000, 0.0003944600000000, 0.0014900800000000 ] - [ 0.0004066800000000, -0.0001023000000000, 0.0001475900000000 ] - [ 0.0000638700000000, -0.0000067200000000, -0.0001345100000000 ] - [ -0.0000358700000000, 0.0196314900000000, 0.0005957100000000 ] - [ -0.0000370300000000, 0.0001762000000000, 0.0005094900000000 ] - [ -0.0006848500000000, 0.0001006100000000, -0.0010940600000000 ] - [ 0.0000748600000000, 0.0001093700000000, 0.0005363700000000 ] - [ 0.0000250600000000, -0.0001946200000000, 0.0004018800000000 ] - [ 0.0000393400000000, -0.0074898300000000, 0.0003990900000000 ] - [ 0.0002029500000000, 0.0004142600000000, 0.0000436400000000 ] - [ -0.0020236400000000, -0.0004378300000000, 0.0031840300000000 ] - [ 0.0016326600000000, -0.0002119300000000, 0.0019859700000000 ]- atom: 1 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0424943900000000, 0.0000000000000000, -0.2261546400000000 ] - [ -0.0045244300000000, 0.0000000000000000, 0.0016479300000000 ] - [ 0.0151580700000000, 0.0058346000000000, -0.0002795000000000 ] - [ 0.0010253600000000, 0.0000000000000000, 0.0034701800000000 ] - [ -0.0095750200000000, 0.0033924900000000, -0.0043289400000000 ] - [ -0.0003094000000000, 0.0001750800000000, 0.0046803900000000 ] - [ -0.0041913600000000, 0.0000000000000000, 0.0059702400000000 ] - [ -0.0003094000000000, -0.0001750800000000, 0.0046803900000000 ] - [ -0.0021183200000000, 0.0000000000000000, 0.0202515400000000 ] - [ 0.0001499100000000, 0.0000000000000000, 0.0039811400000000 ] - [ 0.0001815500000000, 0.0001125700000000, 0.0031458600000000 ] - [ 0.0005345400000000, 0.0000000000000000, 0.0029609700000000 ] - [ 0.0004857200000000, 0.0000000000000000, 0.0036953800000000 ] - [ 0.0001261700000000, 0.0000000000000000, 0.0043049100000000 ] - [ 0.0001815500000000, -0.0001125700000000, 0.0031458600000000 ] - [ 0.0001418400000000, 0.0000000000000000, 0.0033737900000000 ] - [ 0.0000117900000000, 0.0001745600000000, 0.0030229300000000 ] - [ -0.0036435900000000, 0.0000000000000000, -0.0019245700000000 ] - [ -0.0137551100000000, 0.0168525700000000, 0.0152721400000000 ] - [ 0.0006870400000000, 0.0000000000000000, 0.0023796500000000 ] - [ 0.0000117900000000, -0.0001745600000000, 0.0030229300000000 ] - [ 0.0040254500000000, -0.0001874100000000, -0.0019578900000000 ] - [ -0.0013203800000000, 0.0000000000000000, 0.0039858500000000 ] - [ -0.0061427100000000, 0.0000000000000000, -0.0155854000000000 ] - [ 0.0019561900000000, 0.0000000000000000, -0.0110793700000000 ] - [ 0.0012121800000000, 0.0000000000000000, -0.0046077000000000 ] - [ -0.0095750200000000, -0.0033924900000000, -0.0043289400000000 ] - [ -0.0016629200000000, 0.0000000000000000, 0.0008262600000000 ] - [ 0.0151580700000000, -0.0058346000000000, -0.0002795000000000 ] - [ 0.0008778200000000, 0.0000367200000000, 0.0035864000000000 ] - [ 0.0049310800000000, 0.0000000000000000, 0.0040157700000000 ] - [ 0.0008778200000000, -0.0000367200000000, 0.0035864000000000 ] - [ 0.0001321100000000, 0.0000000000000000, 0.0005154100000000 ] - [ 0.0001224900000000, 0.0000000000000000, 0.0043111000000000 ] - [ 0.0002770500000000, 0.0001289300000000, 0.0032436600000000 ] - [ -0.0009598200000000, 0.0000000000000000, 0.0037110600000000 ] - [ -0.0000658300000000, 0.0000000000000000, 0.0035157600000000 ] - [ -0.0000686500000000, 0.0000000000000000, 0.0040998200000000 ] - [ 0.0002770500000000, -0.0001289300000000, 0.0032436600000000 ] - [ 0.0000969000000000, 0.0000000000000000, 0.0033608800000000 ] - [ 0.0003625000000000, 0.0003529800000000, 0.0040629000000000 ] - [ 0.0227830800000000, 0.0000000000000000, 0.0168571000000000 ] - [ 0.0040254500000000, 0.0001874100000000, -0.0019578900000000 ] - [ -0.0001848800000000, 0.0000000000000000, 0.0083358900000000 ] - [ 0.0003625000000000, -0.0003529800000000, 0.0040629000000000 ] - [ -0.0137551100000000, -0.0168525700000000, 0.0152721400000000 ] - [ 0.0017248000000000, 0.0000000000000000, 0.0030595800000000 ] - [ 0.0073949400000000, 0.0000000000000000, -0.0171609100000000 ] - [ -0.0002460500000000, 0.0000000000000000, 0.0024698800000000 ] - [ -0.0001315900000000, 0.0000000000000000, 0.0028139600000000 ] - [ -0.0023424000000000, 0.0000000000000000, 0.0014511800000000 ] - [ 0.0000046400000000, 0.0000000000000000, 0.0024948400000000 ] - [ -0.0001018700000000, 0.0000000000000000, 0.0023694200000000 ] - [ 0.0001853900000000, 0.0000000000000000, 0.0027359500000000 ] - [ 0.0025014200000000, 0.0000000000000000, 0.0029612900000000 ] - [ -0.0000303000000000, 0.0000000000000000, 0.0026710400000000 ] - [ 0.0287156800000000, 0.0464976100000000, 0.0349360600000000 ] - [ -0.0029281000000000, 0.0000000000000000, -0.0011847800000000 ] - [ 0.0010811200000000, -0.0015688500000000, 0.0048230400000000 ] - [ -0.0214235000000000, 0.0000000000000000, 0.0256293800000000 ] - [ 0.0009298600000000, 0.0003231800000000, -0.0024706100000000 ] - [ 0.0027111200000000, 0.0000000000000000, 0.0014610600000000 ] - [ 0.0040812900000000, 0.0000000000000000, 0.0114002000000000 ] - [ 0.0047671900000000, -0.0031303700000000, -0.0029912300000000 ] - [ -0.0000548600000000, 0.0000000000000000, -0.0029802000000000 ] - [ 0.0009298600000000, -0.0003231800000000, -0.0024706100000000 ] - [ -0.0001796700000000, 0.0000000000000000, -0.0036409800000000 ] - [ 0.0047671900000000, 0.0031303700000000, -0.0029912300000000 ] - [ -0.0000055400000000, 0.0000096400000000, -0.0026053600000000 ] - [ 0.0005662300000000, 0.0000000000000000, -0.0028540900000000 ] - [ 0.0010715400000000, 0.0000000000000000, -0.0038806100000000 ] - [ -0.0000055400000000, -0.0000096400000000, -0.0026053600000000 ] - [ -0.0002972300000000, -0.0003768700000000, -0.0021590300000000 ] - [ -0.0000324300000000, 0.0000000000000000, -0.0024648800000000 ] - [ -0.0000971500000000, 0.0000000000000000, -0.0027416100000000 ] - [ -0.0005235600000000, 0.0003401600000000, -0.0025867100000000 ] - [ 0.0002127200000000, -0.0000565100000000, -0.0023858200000000 ] - [ 0.0001110500000000, 0.0000000000000000, -0.0028503100000000 ] - [ 0.0000719200000000, 0.0000000000000000, -0.0032867100000000 ] - [ -0.0000633200000000, -0.0000050000000000, -0.0030417400000000 ] - [ -0.0005678600000000, 0.0000000000000000, -0.0029748600000000 ] - [ -0.0002603900000000, 0.0000510300000000, -0.0025527800000000 ] - [ -0.0000633200000000, 0.0000050000000000, -0.0030417400000000 ] - [ -0.0001205000000000, 0.0000000000000000, -0.0026213200000000 ] - [ 0.0007039600000000, 0.0001614700000000, 0.0006144600000000 ] - [ 0.0011111100000000, 0.0000000000000000, -0.0016008800000000 ] - [ 0.0000438500000000, 0.0000000000000000, -0.0023690900000000 ] - [ -0.0007712900000000, 0.0000000000000000, 0.0063387700000000 ] - [ -0.0004051600000000, 0.0003415300000000, -0.0012812300000000 ] - [ 0.0007039600000000, -0.0001614700000000, 0.0006144600000000 ] - [ -0.0017295100000000, 0.0000000000000000, -0.0000583200000000 ] - [ -0.0004051600000000, -0.0003415300000000, -0.0012812300000000 ] - [ -0.0014222800000000, 0.0000000000000000, 0.0044293600000000 ] - [ 0.0025108400000000, 0.0000000000000000, -0.0011457800000000 ] - [ -0.0078674200000000, -0.0035589800000000, 0.0029795600000000 ] - [ 0.0075915300000000, -0.0023381400000000, 0.0048357900000000 ] - [ 0.0010811200000000, 0.0015688500000000, 0.0048230400000000 ] - [ 0.0013326800000000, 0.0000000000000000, 0.0020370600000000 ] - [ 0.0287156800000000, -0.0464976100000000, 0.0349360600000000 ] - [ -0.0065391100000000, 0.0000000000000000, 0.0047193600000000 ] - [ -0.0015955100000000, 0.0003175100000000, -0.0028518500000000 ] - [ -0.0072386000000000, 0.0000000000000000, -0.0047131900000000 ] - [ -0.0053658100000000, 0.0000000000000000, 0.0079552600000000 ] - [ -0.0022921500000000, 0.0006189200000000, 0.0007598500000000 ] - [ -0.0004706000000000, 0.0000000000000000, -0.0026732400000000 ] - [ -0.0015955100000000, -0.0003175100000000, -0.0028518500000000 ] - [ -0.0001824000000000, 0.0000000000000000, -0.0015970900000000 ] - [ -0.0022921500000000, -0.0006189200000000, 0.0007598500000000 ] - [ -0.0000254000000000, 0.0000147300000000, -0.0025124600000000 ] - [ 0.0000833300000000, 0.0000000000000000, -0.0025623100000000 ] - [ 0.0001814800000000, 0.0000000000000000, -0.0015777500000000 ] - [ -0.0000254000000000, -0.0000147300000000, -0.0025124600000000 ] - [ -0.0005235600000000, -0.0003401600000000, -0.0025867100000000 ] - [ -0.0001079200000000, 0.0000000000000000, -0.0024970900000000 ] - [ -0.0001974700000000, 0.0000000000000000, -0.0028398700000000 ] - [ -0.0002972300000000, 0.0003768700000000, -0.0021590300000000 ] - [ -0.0002603900000000, -0.0000510300000000, -0.0025527800000000 ] - [ 0.0002042200000000, 0.0000000000000000, -0.0028115200000000 ] - [ 0.0001995000000000, 0.0000000000000000, -0.0031858600000000 ] - [ -0.0001296900000000, -0.0000040700000000, -0.0031488200000000 ] - [ 0.0007971900000000, 0.0000000000000000, -0.0021688100000000 ] - [ 0.0002127200000000, 0.0000565100000000, -0.0023858200000000 ] - [ -0.0001296900000000, 0.0000040700000000, -0.0031488200000000 ] - [ -0.0002477900000000, 0.0000000000000000, -0.0030151900000000 ] - [ -0.0024758400000000, -0.0029173600000000, -0.0076409600000000 ] - [ -0.0002702300000000, 0.0000000000000000, -0.0030473600000000 ] - [ 0.0000798800000000, 0.0000000000000000, -0.0028856400000000 ] - [ 0.0034356700000000, 0.0000000000000000, 0.0832222300000000 ] - [ 0.0003749000000000, 0.0000340300000000, -0.0027647400000000 ] - [ -0.0024758400000000, 0.0029173600000000, -0.0076409600000000 ] - [ 0.0054899200000000, 0.0000000000000000, -0.0066851100000000 ] - [ 0.0003749000000000, -0.0000340300000000, -0.0027647400000000 ] - [ 0.0006483500000000, 0.0000000000000000, 0.0034131900000000 ] - [ -0.0021312000000000, 0.0000000000000000, -0.0005833500000000 ] - [ 0.0075915300000000, 0.0023381400000000, 0.0048357900000000 ] - [ -0.0078674200000000, 0.0035589800000000, 0.0029795600000000 ]- atom: 1 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0414055100000000, 0.0000000000000000, 0.2350636600000000 ] - [ 0.0044752800000000, 0.0000000000000000, -0.0026579800000000 ] - [ -0.0149791300000000, -0.0056672100000000, 0.0000643300000000 ] - [ -0.0012433700000000, 0.0000000000000000, -0.0041977200000000 ] - [ 0.0097312800000000, -0.0035069200000000, 0.0041112900000000 ] - [ 0.0002667000000000, -0.0001630300000000, -0.0046571100000000 ] - [ 0.0039497800000000, 0.0000000000000000, -0.0057658300000000 ] - [ 0.0002667000000000, 0.0001630300000000, -0.0046571100000000 ] - [ 0.0018854400000000, 0.0000000000000000, -0.0198627600000000 ] - [ -0.0001549200000000, 0.0000000000000000, -0.0040254100000000 ] - [ 0.0000148300000000, -0.0002602200000000, -0.0038811400000000 ] - [ -0.0004419500000000, 0.0000000000000000, -0.0033758700000000 ] - [ 0.0001216700000000, 0.0000000000000000, -0.0039166700000000 ] - [ -0.0000693800000000, 0.0000000000000000, -0.0049577400000000 ] - [ 0.0000148300000000, 0.0002602200000000, -0.0038811400000000 ] - [ 0.0005677300000000, 0.0000000000000000, -0.0036991500000000 ] - [ 0.0001045600000000, -0.0000897600000000, -0.0030122500000000 ] - [ 0.0033988600000000, 0.0000000000000000, 0.0025250700000000 ] - [ 0.0135908400000000, -0.0166671600000000, -0.0144283600000000 ] - [ -0.0002773700000000, 0.0000000000000000, -0.0012833800000000 ] - [ 0.0001045600000000, 0.0000897600000000, -0.0030122500000000 ] - [ -0.0042640500000000, -0.0000445000000000, 0.0029122100000000 ] - [ 0.0017151900000000, 0.0000000000000000, -0.0032226600000000 ] - [ 0.0061582200000000, 0.0000000000000000, 0.0154001500000000 ] - [ -0.0016776400000000, 0.0000000000000000, 0.0116910700000000 ] - [ -0.0013292500000000, 0.0000000000000000, 0.0037831800000000 ] - [ 0.0097312800000000, 0.0035069200000000, 0.0041112900000000 ] - [ 0.0014202500000000, 0.0000000000000000, -0.0015586500000000 ] - [ -0.0149791300000000, 0.0056672100000000, 0.0000643300000000 ] - [ -0.0009106300000000, -0.0000268800000000, -0.0035734500000000 ] - [ -0.0050692800000000, 0.0000000000000000, -0.0038295800000000 ] - [ -0.0009106300000000, 0.0000268800000000, -0.0035734500000000 ] - [ -0.0003322100000000, 0.0000000000000000, -0.0004151200000000 ] - [ -0.0001276900000000, 0.0000000000000000, -0.0043523200000000 ] - [ -0.0000803100000000, -0.0002765500000000, -0.0039784100000000 ] - [ 0.0010531200000000, 0.0000000000000000, -0.0041249900000000 ] - [ 0.0006678300000000, 0.0000000000000000, -0.0037383800000000 ] - [ 0.0001250300000000, 0.0000000000000000, -0.0047526600000000 ] - [ -0.0000803100000000, 0.0002765500000000, -0.0039784100000000 ] - [ 0.0006115800000000, 0.0000000000000000, -0.0036857000000000 ] - [ -0.0002448300000000, -0.0002683800000000, -0.0040526600000000 ] - [ -0.0231019200000000, 0.0000000000000000, -0.0164390100000000 ] - [ -0.0042640500000000, 0.0000445000000000, 0.0029122100000000 ] - [ 0.0006031700000000, 0.0000000000000000, -0.0072402400000000 ] - [ -0.0002448300000000, 0.0002683800000000, -0.0040526600000000 ] - [ 0.0135908400000000, 0.0166671600000000, -0.0144283600000000 ] - [ -0.0013311700000000, 0.0000000000000000, -0.0022994200000000 ] - [ -0.0073074700000000, 0.0000000000000000, 0.0170310700000000 ] - [ 0.0000772700000000, 0.0000000000000000, -0.0028908600000000 ] - [ 0.0001892300000000, 0.0000000000000000, -0.0027763200000000 ] - [ 0.0026061700000000, 0.0000000000000000, -0.0004223900000000 ] - [ -0.0000266000000000, 0.0000000000000000, -0.0030127900000000 ] - [ -0.0000654600000000, 0.0000000000000000, -0.0027916400000000 ] - [ -0.0001277100000000, 0.0000000000000000, -0.0026985700000000 ] - [ -0.0022376000000000, 0.0000000000000000, -0.0019418700000000 ] - [ 0.0000087000000000, 0.0000000000000000, -0.0031888300000000 ] - [ -0.0282894700000000, -0.0455428100000000, -0.0349696100000000 ] - [ 0.0027227500000000, 0.0000000000000000, 0.0007511000000000 ] - [ -0.0011200700000000, 0.0015052200000000, -0.0045971400000000 ] - [ 0.0210677000000000, 0.0000000000000000, -0.0270728200000000 ] - [ -0.0011795500000000, -0.0005466800000000, 0.0018004200000000 ] - [ -0.0030757100000000, 0.0000000000000000, -0.0014104400000000 ] - [ -0.0045551900000000, 0.0000000000000000, -0.0114810000000000 ] - [ -0.0048865100000000, 0.0030882300000000, 0.0026805300000000 ] - [ -0.0008451400000000, 0.0000000000000000, 0.0022321400000000 ] - [ -0.0011795500000000, 0.0005466800000000, 0.0018004200000000 ] - [ 0.0000088800000000, 0.0000000000000000, 0.0031764400000000 ] - [ -0.0048865100000000, -0.0030882300000000, 0.0026805300000000 ] - [ -0.0000430100000000, 0.0000747000000000, 0.0024846800000000 ] - [ -0.0001686800000000, 0.0000000000000000, 0.0026815500000000 ] - [ -0.0004879000000000, 0.0000000000000000, 0.0040809700000000 ] - [ -0.0000430100000000, -0.0000747000000000, 0.0024846800000000 ] - [ 0.0001934900000000, 0.0000782400000000, 0.0022000600000000 ] - [ -0.0000713300000000, 0.0000000000000000, 0.0025872500000000 ] - [ -0.0002666300000000, 0.0000000000000000, 0.0020510600000000 ] - [ 0.0004175700000000, -0.0000421200000000, 0.0026239300000000 ] - [ -0.0002547200000000, -0.0000311500000000, 0.0026831600000000 ] - [ 0.0001531900000000, 0.0000000000000000, 0.0023608600000000 ] - [ 0.0002691400000000, 0.0000000000000000, 0.0028421600000000 ] - [ -0.0001141200000000, -0.0000576200000000, 0.0020215800000000 ] - [ 0.0007853900000000, 0.0000000000000000, 0.0032845200000000 ] - [ 0.0002178900000000, 0.0000369900000000, 0.0028502800000000 ] - [ -0.0001141200000000, 0.0000576200000000, 0.0020215800000000 ] - [ -0.0002664300000000, 0.0000000000000000, 0.0022202500000000 ] - [ -0.0006608100000000, 0.0001637400000000, -0.0002171400000000 ] - [ -0.0002966200000000, 0.0000000000000000, 0.0018889500000000 ] - [ 0.0000845300000000, 0.0000000000000000, 0.0020963400000000 ] - [ 0.0006917200000000, 0.0000000000000000, -0.0056106400000000 ] - [ 0.0003945000000000, 0.0000311700000000, 0.0021902900000000 ] - [ -0.0006608100000000, -0.0001637400000000, -0.0002171400000000 ] - [ 0.0018705500000000, 0.0000000000000000, 0.0011682000000000 ] - [ 0.0003945000000000, -0.0000311700000000, 0.0021902900000000 ] - [ 0.0015463500000000, 0.0000000000000000, -0.0037630600000000 ] - [ -0.0021122100000000, 0.0000000000000000, 0.0012217300000000 ] - [ 0.0077640700000000, 0.0038283100000000, -0.0020228600000000 ] - [ -0.0077494800000000, 0.0020944600000000, -0.0038938200000000 ] - [ -0.0011200700000000, -0.0015052200000000, -0.0045971400000000 ] - [ -0.0015403900000000, 0.0000000000000000, -0.0025010400000000 ] - [ -0.0282894700000000, 0.0455428100000000, -0.0349696100000000 ] - [ 0.0059043800000000, 0.0000000000000000, -0.0057299200000000 ] - [ 0.0013249400000000, -0.0005369600000000, 0.0021798400000000 ] - [ 0.0067408000000000, 0.0000000000000000, 0.0047147200000000 ] - [ 0.0049582400000000, 0.0000000000000000, -0.0080414000000000 ] - [ 0.0021066300000000, -0.0005930100000000, -0.0010607700000000 ] - [ -0.0004326200000000, 0.0000000000000000, 0.0019282900000000 ] - [ 0.0013249400000000, 0.0005369600000000, 0.0021798400000000 ] - [ 0.0000162400000000, 0.0000000000000000, 0.0011485000000000 ] - [ 0.0021066300000000, 0.0005930100000000, -0.0010607700000000 ] - [ -0.0000237000000000, 0.0000695900000000, 0.0023927400000000 ] - [ 0.0003097500000000, 0.0000000000000000, 0.0023931400000000 ] - [ 0.0003935600000000, 0.0000000000000000, 0.0017998400000000 ] - [ -0.0000237000000000, -0.0000695900000000, 0.0023927400000000 ] - [ 0.0004175700000000, 0.0000421200000000, 0.0026239300000000 ] - [ 0.0000041500000000, 0.0000000000000000, 0.0026189800000000 ] - [ -0.0001670100000000, 0.0000000000000000, 0.0021487000000000 ] - [ 0.0001934900000000, -0.0000782400000000, 0.0022000600000000 ] - [ 0.0002178900000000, -0.0000369900000000, 0.0028502800000000 ] - [ 0.0000601500000000, 0.0000000000000000, 0.0023223400000000 ] - [ 0.0001427500000000, 0.0000000000000000, 0.0027423200000000 ] - [ -0.0000481100000000, -0.0000587100000000, 0.0021284200000000 ] - [ -0.0005777000000000, 0.0000000000000000, 0.0024775900000000 ] - [ -0.0002547200000000, 0.0000311500000000, 0.0026831600000000 ] - [ -0.0000481100000000, 0.0000587100000000, 0.0021284200000000 ] - [ -0.0001390300000000, 0.0000000000000000, 0.0026137900000000 ] - [ 0.0025054000000000, 0.0032296100000000, 0.0080388800000000 ] - [ 0.0010838900000000, 0.0000000000000000, 0.0033374700000000 ] - [ 0.0000480400000000, 0.0000000000000000, 0.0026125900000000 ] - [ -0.0034250800000000, 0.0000000000000000, -0.0893248800000000 ] - [ -0.0003873800000000, 0.0003385600000000, 0.0036730000000000 ] - [ 0.0025054000000000, -0.0032296100000000, 0.0080388800000000 ] - [ -0.0053456000000000, 0.0000000000000000, 0.0077779900000000 ] - [ -0.0003873800000000, -0.0003385600000000, 0.0036730000000000 ] - [ -0.0005414600000000, 0.0000000000000000, -0.0027609500000000 ] - [ 0.0025398300000000, 0.0000000000000000, 0.0006648900000000 ] - [ -0.0077494800000000, -0.0020944600000000, -0.0038938200000000 ] - [ 0.0077640700000000, -0.0038283100000000, -0.0020228600000000 ]- atom: 2 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0245495700000000, 0.0000000000000000, -0.0006462400000000 ] - [ -0.2395616100000000, 0.0000000000000000, 0.0154423500000000 ] - [ 0.0351838900000000, -0.0271240700000000, -0.0044561000000000 ] - [ -0.0045217600000000, 0.0000000000000000, 0.0232991900000000 ] - [ 0.0293822600000000, 0.0222628400000000, -0.0045528100000000 ] - [ -0.0017534900000000, -0.0014848500000000, -0.0024941700000000 ] - [ 0.0063985400000000, 0.0000000000000000, -0.0213760000000000 ] - [ -0.0017534900000000, 0.0014848500000000, -0.0024941700000000 ] - [ -0.0236276300000000, 0.0000000000000000, -0.0002088400000000 ] - [ 0.0007380600000000, 0.0000000000000000, 0.0002060300000000 ] - [ 0.0002892300000000, -0.0000486500000000, -0.0003899700000000 ] - [ -0.0000156800000000, 0.0000000000000000, -0.0000870100000000 ] - [ -0.0009682600000000, 0.0000000000000000, 0.0006483700000000 ] - [ -0.0000487000000000, 0.0000000000000000, -0.0003495300000000 ] - [ 0.0002892300000000, 0.0000486500000000, -0.0003899700000000 ] - [ 0.0002476300000000, 0.0000000000000000, -0.0000266900000000 ] - [ 0.0002679900000000, 0.0000508500000000, -0.0000563600000000 ] - [ 0.0021888700000000, 0.0000000000000000, -0.0021461700000000 ] - [ -0.0020242900000000, -0.0013330900000000, -0.0024740500000000 ] - [ 0.0010104600000000, 0.0000000000000000, 0.0005889100000000 ] - [ 0.0002679900000000, -0.0000508500000000, -0.0000563600000000 ] - [ 0.0032512600000000, -0.0000409100000000, 0.0015911000000000 ] - [ 0.0002278400000000, 0.0000000000000000, -0.0001636600000000 ] - [ 0.0049516700000000, 0.0000000000000000, -0.0043199300000000 ] - [ 0.0135272600000000, 0.0000000000000000, -0.0003670900000000 ] - [ 0.0106553200000000, 0.0000000000000000, -0.0024453500000000 ] - [ 0.0293822600000000, -0.0222628400000000, -0.0045528100000000 ] - [ 0.0056983300000000, 0.0000000000000000, -0.0036377200000000 ] - [ 0.0351838900000000, 0.0271240700000000, -0.0044561000000000 ] - [ 0.0031869900000000, -0.0001657500000000, 0.0019185700000000 ] - [ 0.0049515300000000, 0.0000000000000000, 0.0032468200000000 ] - [ 0.0031869900000000, 0.0001657500000000, 0.0019185700000000 ] - [ 0.0129192600000000, 0.0000000000000000, 0.0000570400000000 ] - [ -0.0007072700000000, 0.0000000000000000, -0.0005182700000000 ] - [ -0.0000801000000000, -0.0000814200000000, -0.0004267200000000 ] - [ 0.0000837100000000, 0.0000000000000000, -0.0003982200000000 ] - [ 0.0014843400000000, 0.0000000000000000, -0.0008738300000000 ] - [ 0.0001065800000000, 0.0000000000000000, -0.0003982300000000 ] - [ -0.0000801000000000, 0.0000814200000000, -0.0004267200000000 ] - [ 0.0004392600000000, 0.0000000000000000, -0.0003711900000000 ] - [ -0.0001332000000000, 0.0000476900000000, -0.0000148500000000 ] - [ -0.0047956500000000, 0.0000000000000000, 0.0022058500000000 ] - [ 0.0032512600000000, 0.0000409100000000, 0.0015911000000000 ] - [ -0.0005089500000000, 0.0000000000000000, 0.0002258300000000 ] - [ -0.0001332000000000, -0.0000476900000000, -0.0000148500000000 ] - [ -0.0020242900000000, 0.0013330900000000, -0.0024740500000000 ] - [ 0.0001521700000000, 0.0000000000000000, 0.0010937800000000 ] - [ -0.0044694600000000, 0.0000000000000000, 0.0234176600000000 ] - [ -0.0000137600000000, 0.0000000000000000, -0.0006223800000000 ] - [ 0.0000359800000000, 0.0000000000000000, -0.0000221400000000 ] - [ 0.0007610300000000, 0.0000000000000000, -0.0002359100000000 ] - [ 0.0000147500000000, 0.0000000000000000, -0.0003075600000000 ] - [ -0.0001362100000000, 0.0000000000000000, 0.0002853200000000 ] - [ 0.0000207200000000, 0.0000000000000000, 0.0000052100000000 ] - [ -0.0006022900000000, 0.0000000000000000, 0.0013722700000000 ] - [ -0.0000366200000000, 0.0000000000000000, -0.0002636200000000 ] - [ 0.0344747700000000, -0.0143644900000000, -0.0077466200000000 ] - [ 0.0302809500000000, 0.0000000000000000, 0.0046953500000000 ] - [ -0.0095068800000000, -0.0019445500000000, -0.0002751900000000 ] - [ 0.0056752400000000, 0.0000000000000000, -0.0048794700000000 ] - [ -0.0013084400000000, -0.0007423600000000, 0.0035548800000000 ] - [ -0.0111251300000000, 0.0000000000000000, 0.0053619800000000 ] - [ 0.0198114600000000, 0.0000000000000000, -0.0005889700000000 ] - [ 0.0257572700000000, 0.0015470000000000, -0.0009545500000000 ] - [ 0.0001330500000000, 0.0000000000000000, 0.0003520400000000 ] - [ -0.0013084400000000, 0.0007423600000000, 0.0035548800000000 ] - [ 0.0077875800000000, 0.0000000000000000, 0.0000168900000000 ] - [ 0.0257572700000000, -0.0015470000000000, -0.0009545500000000 ] - [ 0.0000923100000000, 0.0000238300000000, 0.0001657500000000 ] - [ 0.0003079900000000, 0.0000000000000000, 0.0012053900000000 ] - [ 0.0032177300000000, 0.0000000000000000, 0.0040740700000000 ] - [ 0.0000923100000000, -0.0000238300000000, 0.0001657500000000 ] - [ -0.0009864800000000, -0.0000068800000000, -0.0000101600000000 ] - [ -0.0001072200000000, 0.0000000000000000, 0.0000283700000000 ] - [ -0.0003631900000000, 0.0000000000000000, -0.0002951700000000 ] - [ 0.0009563000000000, 0.0004739300000000, 0.0003779400000000 ] - [ -0.0000569100000000, -0.0000426800000000, 0.0002169500000000 ] - [ 0.0001918900000000, 0.0000000000000000, -0.0001972500000000 ] - [ 0.0003827900000000, 0.0000000000000000, -0.0002354600000000 ] - [ -0.0001399600000000, -0.0000349700000000, -0.0004521700000000 ] - [ 0.0002591600000000, 0.0000000000000000, 0.0000995900000000 ] - [ 0.0000173000000000, 0.0000417400000000, 0.0001398200000000 ] - [ -0.0001399600000000, 0.0000349700000000, -0.0004521700000000 ] - [ -0.0002679000000000, 0.0000000000000000, -0.0001839800000000 ] - [ -0.0010162100000000, 0.0001089500000000, 0.0006304700000000 ] - [ 0.0002327200000000, 0.0000000000000000, 0.0002909800000000 ] - [ -0.0000104000000000, 0.0000000000000000, -0.0001587000000000 ] - [ -0.0032146900000000, 0.0000000000000000, 0.0007529800000000 ] - [ -0.0001956200000000, 0.0002323200000000, 0.0002501100000000 ] - [ -0.0010162100000000, -0.0001089500000000, 0.0006304700000000 ] - [ -0.0009625900000000, 0.0000000000000000, -0.0003875200000000 ] - [ -0.0001956200000000, -0.0002323200000000, 0.0002501100000000 ] - [ -0.0025603900000000, 0.0000000000000000, 0.0008052300000000 ] - [ 0.0008842600000000, 0.0000000000000000, 0.0008226300000000 ] - [ -0.0010122400000000, 0.0028229900000000, -0.0046710000000000 ] - [ -0.0009348400000000, 0.0003891400000000, 0.0032263200000000 ] - [ -0.0095068800000000, 0.0019445500000000, -0.0002751900000000 ] - [ -0.0060773400000000, 0.0000000000000000, 0.0006522600000000 ] - [ 0.0344747700000000, 0.0143644900000000, -0.0077466200000000 ] - [ -0.0131683900000000, 0.0000000000000000, 0.0055599700000000 ] - [ -0.0031521400000000, -0.0019714800000000, -0.0058433100000000 ] - [ 0.0026423000000000, 0.0000000000000000, -0.0053867800000000 ] - [ -0.0060425400000000, 0.0000000000000000, 0.0011839900000000 ] - [ -0.0083164100000000, -0.0016816500000000, -0.0009240000000000 ] - [ -0.0011106100000000, 0.0000000000000000, -0.0019832500000000 ] - [ -0.0031521400000000, 0.0019714800000000, -0.0058433100000000 ] - [ -0.0039555700000000, 0.0000000000000000, -0.0005620400000000 ] - [ -0.0083164100000000, 0.0016816500000000, -0.0009240000000000 ] - [ -0.0001662300000000, 0.0000439400000000, -0.0002462100000000 ] - [ -0.0002804500000000, 0.0000000000000000, -0.0011731500000000 ] - [ -0.0025987800000000, 0.0000000000000000, 0.0004850100000000 ] - [ -0.0001662300000000, -0.0000439400000000, -0.0002462100000000 ] - [ 0.0009563000000000, -0.0004739300000000, 0.0003779400000000 ] - [ 0.0000037100000000, 0.0000000000000000, 0.0001332300000000 ] - [ 0.0000290400000000, 0.0000000000000000, -0.0003513500000000 ] - [ -0.0009864800000000, 0.0000068800000000, -0.0000101600000000 ] - [ 0.0000173000000000, -0.0000417400000000, 0.0001398200000000 ] - [ 0.0000680800000000, 0.0000000000000000, -0.0002362400000000 ] - [ -0.0000284800000000, 0.0000000000000000, -0.0000790000000000 ] - [ -0.0000362100000000, -0.0000311700000000, -0.0005102500000000 ] - [ -0.0000335300000000, 0.0000000000000000, 0.0003115100000000 ] - [ -0.0000569100000000, 0.0000426800000000, 0.0002169500000000 ] - [ -0.0000362100000000, 0.0000311700000000, -0.0005102500000000 ] - [ -0.0001244700000000, 0.0000000000000000, -0.0001615500000000 ] - [ 0.0012862400000000, 0.0005120600000000, 0.0003239100000000 ] - [ 0.0006350000000000, 0.0000000000000000, 0.0000519600000000 ] - [ 0.0001360700000000, 0.0000000000000000, -0.0000793100000000 ] - [ 0.0047737300000000, 0.0000000000000000, 0.0056653000000000 ] - [ 0.0001487900000000, 0.0001781500000000, 0.0006801600000000 ] - [ 0.0012862400000000, -0.0005120600000000, 0.0003239100000000 ] - [ 0.0006550500000000, 0.0000000000000000, 0.0017295100000000 ] - [ 0.0001487900000000, -0.0001781500000000, 0.0006801600000000 ] - [ 0.0055092400000000, 0.0000000000000000, -0.0011867200000000 ] - [ -0.0005851700000000, 0.0000000000000000, -0.0016163700000000 ] - [ -0.0009348400000000, -0.0003891400000000, 0.0032263200000000 ] - [ -0.0010122400000000, -0.0028229900000000, -0.0046710000000000 ]- atom: 2 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0249249900000000, 0.0000000000000000, 0.0012979200000000 ] - [ 0.2392712600000000, 0.0000000000000000, -0.0166954000000000 ] - [ -0.0346662500000000, 0.0267841900000000, 0.0043696700000000 ] - [ 0.0042993900000000, 0.0000000000000000, -0.0239639100000000 ] - [ -0.0294873200000000, -0.0226381400000000, 0.0045094200000000 ] - [ 0.0017172400000000, 0.0014927800000000, 0.0025017600000000 ] - [ -0.0065497300000000, 0.0000000000000000, 0.0216471000000000 ] - [ 0.0017172400000000, -0.0014927800000000, 0.0025017600000000 ] - [ 0.0233822400000000, 0.0000000000000000, 0.0002681200000000 ] - [ -0.0007424400000000, 0.0000000000000000, -0.0002504900000000 ] - [ -0.0000925100000000, -0.0000991300000000, -0.0003490100000000 ] - [ 0.0001096900000000, 0.0000000000000000, -0.0003311500000000 ] - [ 0.0015696200000000, 0.0000000000000000, -0.0008729800000000 ] - [ 0.0001053700000000, 0.0000000000000000, -0.0003088400000000 ] - [ -0.0000925100000000, 0.0000991300000000, -0.0003490100000000 ] - [ 0.0004611600000000, 0.0000000000000000, -0.0003022800000000 ] - [ -0.0001514200000000, 0.0000336100000000, 0.0000631200000000 ] - [ -0.0024408000000000, 0.0000000000000000, 0.0027265500000000 ] - [ 0.0017985200000000, 0.0015690700000000, 0.0034376200000000 ] - [ -0.0005972600000000, 0.0000000000000000, 0.0005014300000000 ] - [ -0.0001514200000000, -0.0000336100000000, 0.0000631200000000 ] - [ -0.0034674700000000, -0.0001919100000000, -0.0006491700000000 ] - [ 0.0001648900000000, 0.0000000000000000, 0.0009250600000000 ] - [ -0.0049147900000000, 0.0000000000000000, 0.0040642300000000 ] - [ -0.0131934600000000, 0.0000000000000000, 0.0009273600000000 ] - [ -0.0107802200000000, 0.0000000000000000, 0.0016698400000000 ] - [ -0.0294873200000000, 0.0226381400000000, 0.0045094200000000 ] - [ -0.0059029400000000, 0.0000000000000000, 0.0029293100000000 ] - [ -0.0346662500000000, -0.0267841900000000, 0.0043696700000000 ] - [ -0.0032238100000000, 0.0001761200000000, -0.0018964600000000 ] - [ -0.0051571200000000, 0.0000000000000000, -0.0030667000000000 ] - [ -0.0032238100000000, -0.0001761200000000, -0.0018964600000000 ] - [ -0.0131478800000000, 0.0000000000000000, 0.0000887900000000 ] - [ 0.0007013600000000, 0.0000000000000000, 0.0004703700000000 ] - [ 0.0002763100000000, -0.0000664200000000, -0.0003129100000000 ] - [ 0.0000087300000000, 0.0000000000000000, -0.0000189700000000 ] - [ -0.0008757600000000, 0.0000000000000000, 0.0006480700000000 ] - [ -0.0000500000000000, 0.0000000000000000, -0.0002603900000000 ] - [ 0.0002763100000000, 0.0000664200000000, -0.0003129100000000 ] - [ 0.0002706400000000, 0.0000000000000000, 0.0000414100000000 ] - [ 0.0002503900000000, 0.0000369000000000, 0.0000226000000000 ] - [ 0.0045694100000000, 0.0000000000000000, -0.0016182800000000 ] - [ -0.0034674700000000, 0.0001919100000000, -0.0006491700000000 ] - [ 0.0009224300000000, 0.0000000000000000, 0.0008699000000000 ] - [ 0.0002503900000000, -0.0000369000000000, 0.0000226000000000 ] - [ 0.0017985200000000, -0.0015690700000000, 0.0034376200000000 ] - [ 0.0002433600000000, 0.0000000000000000, -0.0003353900000000 ] - [ 0.0045512100000000, 0.0000000000000000, -0.0237092300000000 ] - [ -0.0001536100000000, 0.0000000000000000, 0.0001978700000000 ] - [ 0.0000210600000000, 0.0000000000000000, 0.0000563800000000 ] - [ -0.0004998200000000, 0.0000000000000000, 0.0012599300000000 ] - [ -0.0000363700000000, 0.0000000000000000, -0.0002143800000000 ] - [ -0.0000323500000000, 0.0000000000000000, -0.0007078300000000 ] - [ 0.0000371100000000, 0.0000000000000000, 0.0000284600000000 ] - [ 0.0008702100000000, 0.0000000000000000, -0.0003471000000000 ] - [ 0.0000152800000000, 0.0000000000000000, -0.0002582000000000 ] - [ -0.0343219700000000, 0.0139071400000000, 0.0076317500000000 ] - [ -0.0281208900000000, 0.0000000000000000, -0.0036494400000000 ] - [ 0.0094863700000000, 0.0018749000000000, 0.0004990300000000 ] - [ -0.0063993200000000, 0.0000000000000000, 0.0038476500000000 ] - [ 0.0010301400000000, 0.0005201300000000, -0.0042149700000000 ] - [ 0.0107617400000000, 0.0000000000000000, -0.0053797300000000 ] - [ -0.0224095600000000, 0.0000000000000000, -0.0008096800000000 ] - [ -0.0262300600000000, -0.0019348800000000, 0.0009687800000000 ] - [ -0.0010360200000000, 0.0000000000000000, -0.0010946200000000 ] - [ 0.0010301400000000, -0.0005201300000000, -0.0042149700000000 ] - [ -0.0079389600000000, 0.0000000000000000, -0.0004700700000000 ] - [ -0.0262300600000000, 0.0019348800000000, 0.0009687800000000 ] - [ -0.0001410300000000, 0.0000610100000000, -0.0002811900000000 ] - [ 0.0000853800000000, 0.0000000000000000, -0.0013700400000000 ] - [ -0.0026352400000000, 0.0000000000000000, -0.0038446900000000 ] - [ -0.0001410300000000, -0.0000610100000000, -0.0002811900000000 ] - [ 0.0008791800000000, -0.0002906300000000, 0.0000512600000000 ] - [ 0.0000035000000000, 0.0000000000000000, 0.0000972900000000 ] - [ -0.0000019700000000, 0.0000000000000000, -0.0003920400000000 ] - [ -0.0010593100000000, -0.0001757600000000, -0.0003333200000000 ] - [ 0.0000153500000000, -0.0000445900000000, 0.0000840800000000 ] - [ 0.0000733400000000, 0.0000000000000000, -0.0002885300000000 ] - [ -0.0000404900000000, 0.0000000000000000, -0.0002045500000000 ] - [ -0.0000382700000000, -0.0000267500000000, -0.0005644600000000 ] - [ -0.0000416400000000, 0.0000000000000000, 0.0002111000000000 ] - [ -0.0000596400000000, 0.0000457200000000, 0.0001612000000000 ] - [ -0.0000382700000000, 0.0000267500000000, -0.0005644600000000 ] - [ -0.0001195600000000, 0.0000000000000000, -0.0002132300000000 ] - [ 0.0010594000000000, 0.0002166900000000, -0.0002249900000000 ] - [ 0.0005821200000000, 0.0000000000000000, 0.0000006700000000 ] - [ 0.0001384900000000, 0.0000000000000000, -0.0001119500000000 ] - [ 0.0031228700000000, 0.0000000000000000, 0.0000065400000000 ] - [ 0.0001840700000000, 0.0001402600000000, 0.0006614700000000 ] - [ 0.0010594000000000, -0.0002166900000000, -0.0002249900000000 ] - [ 0.0010949500000000, 0.0000000000000000, 0.0014985700000000 ] - [ 0.0001840700000000, -0.0001402600000000, 0.0006614700000000 ] - [ 0.0026759500000000, 0.0000000000000000, -0.0001240000000000 ] - [ -0.0004781000000000, 0.0000000000000000, -0.0007447400000000 ] - [ 0.0008717500000000, -0.0025759700000000, 0.0056427300000000 ] - [ 0.0008097200000000, -0.0006430800000000, -0.0022623000000000 ] - [ 0.0094863700000000, -0.0018749000000000, 0.0004990300000000 ] - [ 0.0058458800000000, 0.0000000000000000, -0.0011877400000000 ] - [ -0.0343219700000000, -0.0139071400000000, 0.0076317500000000 ] - [ 0.0124133400000000, 0.0000000000000000, -0.0065462500000000 ] - [ 0.0028897900000000, 0.0017486000000000, 0.0051704000000000 ] - [ -0.0029947600000000, 0.0000000000000000, 0.0054225500000000 ] - [ 0.0056376100000000, 0.0000000000000000, -0.0012987200000000 ] - [ 0.0081488900000000, 0.0016911100000000, 0.0005835200000000 ] - [ 0.0002085700000000, 0.0000000000000000, 0.0012352800000000 ] - [ 0.0028897900000000, -0.0017486000000000, 0.0051704000000000 ] - [ 0.0037864500000000, 0.0000000000000000, 0.0000972400000000 ] - [ 0.0081488900000000, -0.0016911100000000, 0.0005835200000000 ] - [ 0.0001173500000000, 0.0000409700000000, 0.0001295300000000 ] - [ 0.0006764600000000, 0.0000000000000000, 0.0010034800000000 ] - [ 0.0031795900000000, 0.0000000000000000, -0.0002790200000000 ] - [ 0.0001173500000000, -0.0000409700000000, 0.0001295300000000 ] - [ -0.0010593100000000, 0.0001757600000000, -0.0003333200000000 ] - [ -0.0001073400000000, 0.0000000000000000, -0.0000072000000000 ] - [ -0.0003929900000000, 0.0000000000000000, -0.0003353000000000 ] - [ 0.0008791800000000, 0.0002906300000000, 0.0000512600000000 ] - [ -0.0000596400000000, -0.0000457200000000, 0.0001612000000000 ] - [ 0.0001970800000000, 0.0000000000000000, -0.0002497000000000 ] - [ 0.0003693900000000, 0.0000000000000000, -0.0003606700000000 ] - [ -0.0001416700000000, -0.0000306900000000, -0.0005066800000000 ] - [ 0.0002526200000000, 0.0000000000000000, -0.0000000900000000 ] - [ 0.0000153500000000, 0.0000445900000000, 0.0000840800000000 ] - [ -0.0001416700000000, 0.0000306900000000, -0.0005066800000000 ] - [ -0.0002625300000000, 0.0000000000000000, -0.0002364800000000 ] - [ -0.0012489000000000, -0.0001868000000000, 0.0000743700000000 ] - [ 0.0001778700000000, 0.0000000000000000, 0.0002386900000000 ] - [ -0.0000080500000000, 0.0000000000000000, -0.0001921100000000 ] - [ -0.0048758400000000, 0.0000000000000000, -0.0049447400000000 ] - [ -0.0001600200000000, 0.0001943900000000, 0.0002296600000000 ] - [ -0.0012489000000000, 0.0001868000000000, 0.0000743700000000 ] - [ -0.0005188700000000, 0.0000000000000000, -0.0006243500000000 ] - [ -0.0001600200000000, -0.0001943900000000, 0.0002296600000000 ] - [ -0.0054025200000000, 0.0000000000000000, 0.0018516600000000 ] - [ 0.0009868900000000, 0.0000000000000000, 0.0016993900000000 ] - [ 0.0008097200000000, 0.0006430800000000, -0.0022623000000000 ] - [ 0.0008717500000000, 0.0025759700000000, 0.0056427300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002142300000000, 0.0456708200000000, 0.0001444600000000 ] - [ -0.0008123500000000, -0.2019604600000000, 0.0005051300000000 ] - [ -0.0276162300000000, 0.0037716700000000, -0.0080178200000000 ] - [ -0.0001210000000000, -0.0011472000000000, -0.0003853700000000 ] - [ 0.0224631800000000, 0.0038859600000000, 0.0074315400000000 ] - [ -0.0012044600000000, -0.0000366500000000, -0.0012864700000000 ] - [ -0.0000848100000000, -0.0207029500000000, 0.0000743800000000 ] - [ 0.0011663700000000, -0.0000495800000000, 0.0013015400000000 ] - [ -0.0001507000000000, 0.0343303700000000, 0.0001721100000000 ] - [ -0.0000025900000000, -0.0001255600000000, -0.0000230400000000 ] - [ 0.0001059600000000, -0.0000736600000000, -0.0003593900000000 ] - [ 0.0000465300000000, -0.0000127200000000, -0.0002087100000000 ] - [ 0.0003024500000000, 0.0001226300000000, -0.0001122700000000 ] - [ 0.0000283000000000, -0.0000035800000000, -0.0003289000000000 ] - [ 0.0000905800000000, 0.0000741000000000, -0.0003795500000000 ] - [ 0.0003545500000000, -0.0000124700000000, -0.0001645000000000 ] - [ 0.0000657800000000, 0.0000425700000000, 0.0000129400000000 ] - [ -0.0001219300000000, -0.0014282600000000, 0.0002940000000000 ] - [ -0.0009435700000000, 0.0001488000000000, -0.0018204700000000 ] - [ 0.0002068100000000, -0.0001351500000000, 0.0005465200000000 ] - [ 0.0000512500000000, -0.0000421000000000, -0.0000055600000000 ] - [ 0.0000324700000000, -0.0001099100000000, 0.0005530900000000 ] - [ 0.0001970400000000, 0.0000209200000000, 0.0003806400000000 ] - [ 0.0000208800000000, 0.0029161700000000, -0.0001221800000000 ] - [ 0.0001486400000000, 0.0006456400000000, 0.0002916200000000 ] - [ -0.0000655900000000, -0.0009674700000000, -0.0003904500000000 ] - [ -0.0224400900000000, 0.0038612600000000, -0.0074925200000000 ] - [ -0.0001083300000000, 0.0034965900000000, -0.0003560200000000 ] - [ 0.0279312100000000, 0.0035907600000000, 0.0079331900000000 ] - [ -0.0002544000000000, 0.0000130800000000, -0.0000643600000000 ] - [ -0.0000814000000000, -0.0008023500000000, 0.0000996400000000 ] - [ 0.0002161300000000, 0.0000040900000000, 0.0000797400000000 ] - [ -0.0001048100000000, 0.0005562200000000, 0.0000632400000000 ] - [ -0.0000025300000000, -0.0001142800000000, -0.0000231400000000 ] - [ 0.0001060800000000, -0.0000737500000000, -0.0003591800000000 ] - [ 0.0000464700000000, -0.0000133100000000, -0.0002087300000000 ] - [ 0.0003026800000000, 0.0002798400000000, -0.0001123900000000 ] - [ 0.0000282800000000, -0.0000038900000000, -0.0003289800000000 ] - [ 0.0000904100000000, 0.0000740000000000, -0.0003798700000000 ] - [ 0.0003546300000000, -0.0000127100000000, -0.0001644800000000 ] - [ 0.0000664600000000, 0.0000424700000000, 0.0000142400000000 ] - [ -0.0001228400000000, -0.0002197700000000, 0.0002895900000000 ] - [ -0.0002491200000000, 0.0001253700000000, 0.0003953100000000 ] - [ 0.0002067700000000, -0.0001301800000000, 0.0005464700000000 ] - [ 0.0000505700000000, -0.0000421700000000, -0.0000067400000000 ] - [ 0.0007281300000000, -0.0000799300000000, 0.0027685400000000 ] - [ 0.0001970300000000, 0.0000123400000000, 0.0003803800000000 ] - [ 0.0000398500000000, -0.0024074100000000, -0.0000946400000000 ] - [ -0.0000840200000000, 0.0000084800000000, -0.0002123000000000 ] - [ 0.0000288600000000, -0.0000018300000000, 0.0000169900000000 ] - [ 0.0001318800000000, 0.0002328900000000, 0.0005124900000000 ] - [ -0.0000108500000000, 0.0000052900000000, -0.0002607500000000 ] - [ -0.0000840200000000, 0.0000110500000000, -0.0002120300000000 ] - [ 0.0000288500000000, -0.0000016000000000, 0.0000169700000000 ] - [ 0.0001322400000000, 0.0000884700000000, 0.0005128300000000 ] - [ -0.0000108200000000, 0.0000056300000000, -0.0002606800000000 ] - [ -0.0133289100000000, 0.0339855900000000, 0.0197752500000000 ] - [ -0.0002241600000000, 0.0200164300000000, -0.0003506200000000 ] - [ 0.0003011800000000, 0.0001434200000000, 0.0000241700000000 ] - [ -0.0003025500000000, -0.0125641000000000, -0.0005118000000000 ] - [ -0.0024220500000000, -0.0011001400000000, 0.0038362800000000 ] - [ -0.0001836300000000, 0.0050802300000000, 0.0000168900000000 ] - [ -0.0001348000000000, 0.0186795600000000, -0.0000086800000000 ] - [ -0.0002394300000000, 0.0193743500000000, -0.0037706400000000 ] - [ -0.0004516600000000, 0.0003922000000000, -0.0003713000000000 ] - [ 0.0021597900000000, -0.0008823400000000, -0.0045050700000000 ] - [ -0.0000910200000000, 0.0035645700000000, -0.0002283400000000 ] - [ -0.0006230000000000, 0.0205187100000000, 0.0043363900000000 ] - [ -0.0000296200000000, 0.0000456900000000, -0.0000333100000000 ] - [ 0.0001975100000000, -0.0002284700000000, -0.0000841400000000 ] - [ 0.0002953500000000, -0.0036189500000000, 0.0001083200000000 ] - [ -0.0000191100000000, -0.0000390100000000, -0.0000825200000000 ] - [ -0.0001693800000000, -0.0001092200000000, 0.0001703900000000 ] - [ -0.0000518800000000, 0.0000039000000000, 0.0000633800000000 ] - [ -0.0001822400000000, 0.0000167900000000, -0.0003433400000000 ] - [ -0.0001142600000000, 0.0001396800000000, -0.0001548600000000 ] - [ -0.0000195000000000, -0.0000425300000000, 0.0001484100000000 ] - [ 0.0001327700000000, -0.0000010900000000, -0.0002428100000000 ] - [ 0.0001707800000000, -0.0000169100000000, -0.0002199700000000 ] - [ -0.0000902800000000, -0.0000300700000000, -0.0005057900000000 ] - [ 0.0001091500000000, -0.0000138500000000, 0.0001550800000000 ] - [ -0.0000221900000000, 0.0000447500000000, 0.0001543200000000 ] - [ -0.0000880400000000, 0.0000313600000000, -0.0005106300000000 ] - [ -0.0001940100000000, -0.0000010000000000, -0.0001983900000000 ] - [ 0.0002564600000000, 0.0002313500000000, -0.0000441400000000 ] - [ 0.0004070900000000, 0.0000175300000000, 0.0001455100000000 ] - [ 0.0000640500000000, 0.0000033600000000, -0.0001353200000000 ] - [ -0.0000440600000000, 0.0001113600000000, 0.0003724600000000 ] - [ 0.0000102600000000, 0.0001876500000000, 0.0004290100000000 ] - [ -0.0002149800000000, -0.0000942200000000, 0.0004470900000000 ] - [ 0.0000667800000000, 0.0000344500000000, 0.0005538500000000 ] - [ -0.0000217300000000, -0.0001849600000000, 0.0004814300000000 ] - [ 0.0000572300000000, -0.0001822400000000, 0.0003391900000000 ] - [ 0.0002021900000000, 0.0002651400000000, 0.0000382300000000 ] - [ -0.0000162800000000, 0.0002625300000000, 0.0001832100000000 ] - [ -0.0012622100000000, 0.0001786100000000, 0.0024031100000000 ] - [ -0.0003126000000000, 0.0002342400000000, 0.0001986500000000 ] - [ -0.0001034100000000, -0.0034984200000000, -0.0002723800000000 ] - [ 0.0147177400000000, 0.0362261900000000, -0.0212623500000000 ] - [ -0.0003469500000000, 0.0042334100000000, -0.0005195000000000 ] - [ 0.0000024100000000, -0.0000530200000000, 0.0002229700000000 ] - [ -0.0002282500000000, -0.0090202600000000, -0.0000036300000000 ] - [ -0.0002075000000000, -0.0046625700000000, -0.0000509900000000 ] - [ 0.0002488800000000, 0.0002712800000000, -0.0002114400000000 ] - [ -0.0004510900000000, 0.0000510300000000, -0.0003724900000000 ] - [ -0.0002614400000000, 0.0001586300000000, -0.0008919700000000 ] - [ -0.0000816200000000, -0.0002116800000000, -0.0002305900000000 ] - [ -0.0004214700000000, 0.0002393900000000, -0.0001188200000000 ] - [ -0.0000373700000000, 0.0000478800000000, -0.0000311000000000 ] - [ 0.0001971200000000, -0.0000166000000000, -0.0000836900000000 ] - [ 0.0002887200000000, 0.0000830900000000, 0.0001078300000000 ] - [ -0.0000115200000000, -0.0000367200000000, -0.0000848500000000 ] - [ 0.0000095000000000, -0.0001578000000000, 0.0001975200000000 ] - [ -0.0000518600000000, 0.0000037800000000, 0.0000633200000000 ] - [ -0.0001820900000000, 0.0000195600000000, -0.0003433100000000 ] - [ 0.0000641200000000, 0.0001885400000000, -0.0001280000000000 ] - [ -0.0000198000000000, -0.0000425900000000, 0.0001473300000000 ] - [ 0.0001327900000000, -0.0000010500000000, -0.0002427800000000 ] - [ 0.0001707400000000, -0.0000126400000000, -0.0002197700000000 ] - [ -0.0000904800000000, -0.0000300700000000, -0.0005051200000000 ] - [ 0.0001092200000000, -0.0000092100000000, 0.0001552100000000 ] - [ -0.0000220900000000, 0.0000445200000000, 0.0001532400000000 ] - [ -0.0000877600000000, 0.0000314500000000, -0.0005114900000000 ] - [ -0.0001936500000000, -0.0000010300000000, -0.0001986200000000 ] - [ -0.0000659500000000, 0.0001855800000000, -0.0001123300000000 ] - [ 0.0004069300000000, 0.0000268200000000, 0.0001456100000000 ] - [ 0.0000640600000000, 0.0000037000000000, -0.0001353800000000 ] - [ -0.0000572100000000, -0.0045641700000000, 0.0003740100000000 ] - [ 0.0000015400000000, 0.0001892600000000, 0.0004275600000000 ] - [ 0.0001067700000000, -0.0001410500000000, 0.0005150300000000 ] - [ 0.0000659600000000, -0.0001969300000000, 0.0005543300000000 ] - [ -0.0000130900000000, -0.0001834900000000, 0.0004828800000000 ] - [ 0.0000622000000000, 0.0025952300000000, 0.0003341100000000 ] - [ 0.0002013200000000, 0.0000248300000000, 0.0000389100000000 ] - [ 0.0011252200000000, 0.0004320600000000, -0.0014414600000000 ] - [ -0.0001227800000000, 0.0000021400000000, 0.0007771500000000 ]- atom: 2 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0067050800000000, 0.0000000000000000, 0.0009098700000000 ] - [ -0.0184479600000000, 0.0000000000000000, -0.1654590600000000 ] - [ -0.0008302400000000, -0.0118934000000000, -0.0308353500000000 ] - [ 0.0103020700000000, 0.0000000000000000, 0.0159421400000000 ] - [ 0.0012968500000000, 0.0105000300000000, -0.0303385600000000 ] - [ -0.0018845600000000, -0.0017276800000000, 0.0054627300000000 ] - [ -0.0205848800000000, 0.0000000000000000, 0.0135557000000000 ] - [ -0.0018845600000000, 0.0017276800000000, 0.0054627300000000 ] - [ 0.0066417000000000, 0.0000000000000000, 0.0007583500000000 ] - [ 0.0000510900000000, 0.0000000000000000, 0.0030383900000000 ] - [ 0.0001358600000000, 0.0000970300000000, 0.0025761800000000 ] - [ -0.0000672100000000, 0.0000000000000000, 0.0027403700000000 ] - [ 0.0013046000000000, 0.0000000000000000, 0.0033823000000000 ] - [ 0.0000684900000000, 0.0000000000000000, 0.0035974400000000 ] - [ 0.0001358600000000, -0.0000970300000000, 0.0025761800000000 ] - [ 0.0003122900000000, 0.0000000000000000, 0.0027801000000000 ] - [ 0.0001692000000000, 0.0002950000000000, 0.0028912600000000 ] - [ -0.0021629600000000, 0.0000000000000000, 0.0015052200000000 ] - [ -0.0030009700000000, -0.0021190200000000, 0.0057165000000000 ] - [ 0.0004093000000000, 0.0000000000000000, 0.0034852200000000 ] - [ 0.0001692000000000, -0.0002950000000000, 0.0028912600000000 ] - [ 0.0020591600000000, 0.0001306100000000, 0.0015938700000000 ] - [ -0.0001273800000000, 0.0000000000000000, 0.0038689200000000 ] - [ -0.0032549300000000, 0.0000000000000000, -0.0019420800000000 ] - [ 0.0031890900000000, 0.0000000000000000, -0.0041467800000000 ] - [ -0.0005665800000000, 0.0000000000000000, -0.0126250500000000 ] - [ 0.0012968500000000, -0.0105000300000000, -0.0303385600000000 ] - [ -0.0039542800000000, 0.0000000000000000, -0.0019885700000000 ] - [ -0.0008302400000000, 0.0118934000000000, -0.0308353500000000 ] - [ 0.0014889200000000, -0.0002108600000000, 0.0019399900000000 ] - [ 0.0025163400000000, 0.0000000000000000, -0.0032029400000000 ] - [ 0.0014889200000000, 0.0002108600000000, 0.0019399900000000 ] - [ 0.0022624800000000, 0.0000000000000000, -0.0040035100000000 ] - [ -0.0000235300000000, 0.0000000000000000, 0.0039639200000000 ] - [ 0.0002784800000000, 0.0001172100000000, 0.0028082200000000 ] - [ -0.0004247300000000, 0.0000000000000000, 0.0028493000000000 ] - [ -0.0005373200000000, 0.0000000000000000, 0.0027909400000000 ] - [ -0.0000178400000000, 0.0000000000000000, 0.0035084900000000 ] - [ 0.0002784800000000, -0.0001172100000000, 0.0028082200000000 ] - [ -0.0000155200000000, 0.0000000000000000, 0.0029296600000000 ] - [ 0.0002236200000000, 0.0003188100000000, 0.0031491600000000 ] - [ 0.0012310700000000, 0.0000000000000000, 0.0032616900000000 ] - [ 0.0020591600000000, -0.0001306100000000, 0.0015938700000000 ] - [ -0.0002214000000000, 0.0000000000000000, 0.0046813900000000 ] - [ 0.0002236200000000, -0.0003188100000000, 0.0031491600000000 ] - [ -0.0030009700000000, 0.0021190200000000, 0.0057165000000000 ] - [ 0.0005741200000000, 0.0000000000000000, 0.0034735200000000 ] - [ 0.0116161600000000, 0.0000000000000000, 0.0183544200000000 ] - [ -0.0003796300000000, 0.0000000000000000, 0.0023210600000000 ] - [ -0.0000043700000000, 0.0000000000000000, 0.0023730300000000 ] - [ -0.0003676500000000, 0.0000000000000000, 0.0024814900000000 ] - [ -0.0000401300000000, 0.0000000000000000, 0.0021832500000000 ] - [ 0.0000805100000000, 0.0000000000000000, 0.0018427800000000 ] - [ 0.0000629100000000, 0.0000000000000000, 0.0023989400000000 ] - [ 0.0009705500000000, 0.0000000000000000, 0.0036139700000000 ] - [ 0.0000188200000000, 0.0000000000000000, 0.0021884800000000 ] - [ -0.0023690100000000, 0.0205299100000000, 0.0373616700000000 ] - [ 0.0116139400000000, 0.0000000000000000, 0.0365405100000000 ] - [ -0.0034542200000000, -0.0028463000000000, 0.0057123600000000 ] - [ -0.0060990800000000, 0.0000000000000000, 0.0127485500000000 ] - [ 0.0028843800000000, 0.0006624000000000, -0.0013221500000000 ] - [ 0.0035013900000000, 0.0000000000000000, 0.0088763300000000 ] - [ 0.0001198400000000, 0.0000000000000000, 0.0295391000000000 ] - [ 0.0027827100000000, -0.0056683800000000, 0.0284309200000000 ] - [ 0.0008293000000000, 0.0000000000000000, -0.0036177200000000 ] - [ 0.0028843800000000, -0.0006624000000000, -0.0013221500000000 ] - [ 0.0015471200000000, 0.0000000000000000, -0.0079975500000000 ] - [ 0.0027827100000000, 0.0056683800000000, 0.0284309200000000 ] - [ 0.0000433200000000, -0.0000127300000000, -0.0023646900000000 ] - [ 0.0008575500000000, 0.0000000000000000, -0.0024461800000000 ] - [ 0.0004712500000000, 0.0000000000000000, -0.0034051200000000 ] - [ 0.0000433200000000, 0.0000127300000000, -0.0023646900000000 ] - [ 0.0000007500000000, -0.0003570500000000, -0.0014141200000000 ] - [ -0.0000455500000000, 0.0000000000000000, -0.0020581800000000 ] - [ 0.0000082300000000, 0.0000000000000000, -0.0023499000000000 ] - [ -0.0007391200000000, 0.0005245900000000, -0.0027643200000000 ] - [ 0.0000411700000000, -0.0000393400000000, -0.0020487300000000 ] - [ 0.0001261200000000, 0.0000000000000000, -0.0025074500000000 ] - [ -0.0000488900000000, 0.0000000000000000, -0.0029007700000000 ] - [ -0.0000384100000000, -0.0000091700000000, -0.0027052500000000 ] - [ -0.0000324900000000, 0.0000000000000000, -0.0021719900000000 ] - [ -0.0000767400000000, 0.0000409500000000, -0.0021216900000000 ] - [ -0.0000384100000000, 0.0000091700000000, -0.0027052500000000 ] - [ -0.0001830700000000, 0.0000000000000000, -0.0023811800000000 ] - [ 0.0002948000000000, 0.0001528100000000, -0.0010388000000000 ] - [ 0.0007253200000000, 0.0000000000000000, -0.0018802700000000 ] - [ 0.0000651100000000, 0.0000000000000000, -0.0022563400000000 ] - [ -0.0006722600000000, 0.0000000000000000, 0.0016511600000000 ] - [ -0.0001661200000000, 0.0003066800000000, -0.0015513800000000 ] - [ 0.0002948000000000, -0.0001528100000000, -0.0010388000000000 ] - [ -0.0006740400000000, 0.0000000000000000, -0.0011202100000000 ] - [ -0.0001661200000000, -0.0003066800000000, -0.0015513800000000 ] - [ -0.0002717100000000, 0.0000000000000000, 0.0008084100000000 ] - [ 0.0015392300000000, 0.0000000000000000, -0.0030058800000000 ] - [ -0.0027379900000000, 0.0017956100000000, -0.0020159600000000 ] - [ 0.0023036300000000, 0.0000388400000000, -0.0000441500000000 ] - [ -0.0034542200000000, 0.0028463000000000, 0.0057123600000000 ] - [ 0.0045036000000000, 0.0000000000000000, 0.0076516200000000 ] - [ -0.0023690100000000, -0.0205299100000000, 0.0373616700000000 ] - [ -0.0006835500000000, 0.0000000000000000, 0.0088521000000000 ] - [ -0.0033150100000000, -0.0021495900000000, -0.0018772100000000 ] - [ -0.0028301900000000, 0.0000000000000000, 0.0126640400000000 ] - [ 0.0050062000000000, 0.0000000000000000, 0.0067145700000000 ] - [ -0.0033993000000000, -0.0018571800000000, 0.0052450600000000 ] - [ -0.0008410300000000, 0.0000000000000000, -0.0019869100000000 ] - [ -0.0033150100000000, 0.0021495900000000, -0.0018772100000000 ] - [ -0.0002523800000000, 0.0000000000000000, 0.0003566100000000 ] - [ -0.0033993000000000, 0.0018571800000000, 0.0052450600000000 ] - [ -0.0000599700000000, 0.0000201900000000, -0.0020254500000000 ] - [ -0.0002901700000000, 0.0000000000000000, -0.0016684200000000 ] - [ -0.0004074600000000, 0.0000000000000000, 0.0005561900000000 ] - [ -0.0000599700000000, -0.0000201900000000, -0.0020254500000000 ] - [ -0.0007391200000000, -0.0005245900000000, -0.0027643200000000 ] - [ -0.0000834700000000, 0.0000000000000000, -0.0021847000000000 ] - [ -0.0002976700000000, 0.0000000000000000, -0.0025891300000000 ] - [ 0.0000007500000000, 0.0003570500000000, -0.0014141200000000 ] - [ -0.0000767400000000, -0.0000409500000000, -0.0021216900000000 ] - [ 0.0001833400000000, 0.0000000000000000, -0.0024113800000000 ] - [ 0.0003063500000000, 0.0000000000000000, -0.0026778100000000 ] - [ -0.0001527100000000, -0.0000098100000000, -0.0027507300000000 ] - [ 0.0002352200000000, 0.0000000000000000, -0.0019119100000000 ] - [ 0.0000411700000000, 0.0000393400000000, -0.0020487300000000 ] - [ -0.0001527100000000, 0.0000098100000000, -0.0027507300000000 ] - [ -0.0002093200000000, 0.0000000000000000, -0.0024757200000000 ] - [ -0.0003203400000000, 0.0006650900000000, -0.0029032900000000 ] - [ 0.0003358100000000, 0.0000000000000000, -0.0022394900000000 ] - [ 0.0000677900000000, 0.0000000000000000, -0.0023660600000000 ] - [ -0.0004316200000000, 0.0000000000000000, -0.0026598500000000 ] - [ 0.0000523500000000, 0.0002950200000000, -0.0018510700000000 ] - [ -0.0003203400000000, -0.0006650900000000, -0.0029032900000000 ] - [ 0.0007748000000000, 0.0000000000000000, -0.0015216300000000 ] - [ 0.0000523500000000, -0.0002950200000000, -0.0018510700000000 ] - [ 0.0020593500000000, 0.0000000000000000, -0.0071177100000000 ] - [ -0.0006621800000000, 0.0000000000000000, -0.0022921100000000 ] - [ 0.0023036300000000, -0.0000388400000000, -0.0000441500000000 ] - [ -0.0027379900000000, -0.0017956100000000, -0.0020159600000000 ]- atom: 2 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0063350500000000, 0.0000000000000000, -0.0002100500000000 ] - [ 0.0181309000000000, 0.0000000000000000, 0.1639399400000000 ] - [ 0.0008543400000000, 0.0120335200000000, 0.0307044400000000 ] - [ -0.0103504400000000, 0.0000000000000000, -0.0165815700000000 ] - [ -0.0010453200000000, -0.0105396800000000, 0.0303041700000000 ] - [ 0.0018227700000000, 0.0016999200000000, -0.0054374200000000 ] - [ 0.0201749400000000, 0.0000000000000000, -0.0133308800000000 ] - [ 0.0018227700000000, -0.0016999200000000, -0.0054374200000000 ] - [ -0.0069038200000000, 0.0000000000000000, -0.0007019600000000 ] - [ -0.0000573300000000, 0.0000000000000000, -0.0030900700000000 ] - [ 0.0000600000000000, -0.0002447700000000, -0.0033174300000000 ] - [ 0.0001587500000000, 0.0000000000000000, -0.0031586400000000 ] - [ -0.0006900200000000, 0.0000000000000000, -0.0036055300000000 ] - [ -0.0000118700000000, 0.0000000000000000, -0.0042572700000000 ] - [ 0.0000600000000000, 0.0002447700000000, -0.0033174300000000 ] - [ 0.0003984500000000, 0.0000000000000000, -0.0031114300000000 ] - [ -0.0000517900000000, -0.0002106000000000, -0.0028847200000000 ] - [ 0.0019318700000000, 0.0000000000000000, -0.0009056800000000 ] - [ 0.0028143800000000, 0.0023993300000000, -0.0047819200000000 ] - [ 0.0000042500000000, 0.0000000000000000, -0.0023896300000000 ] - [ -0.0000517900000000, 0.0002106000000000, -0.0028847200000000 ] - [ -0.0022836800000000, -0.0003662700000000, -0.0006344000000000 ] - [ 0.0005235400000000, 0.0000000000000000, -0.0031145000000000 ] - [ 0.0033062900000000, 0.0000000000000000, 0.0017333900000000 ] - [ -0.0028921100000000, 0.0000000000000000, 0.0047570800000000 ] - [ 0.0004361800000000, 0.0000000000000000, 0.0118451800000000 ] - [ -0.0010453200000000, 0.0105396800000000, 0.0303041700000000 ] - [ 0.0037333100000000, 0.0000000000000000, 0.0012511400000000 ] - [ 0.0008543400000000, -0.0120335200000000, 0.0307044400000000 ] - [ -0.0015239000000000, 0.0002194800000000, -0.0019361700000000 ] - [ -0.0027066000000000, 0.0000000000000000, 0.0033478400000000 ] - [ -0.0015239000000000, -0.0002194800000000, -0.0019361700000000 ] - [ -0.0024714600000000, 0.0000000000000000, 0.0041071000000000 ] - [ 0.0000157300000000, 0.0000000000000000, -0.0040106600000000 ] - [ -0.0000817400000000, -0.0002649600000000, -0.0035479300000000 ] - [ 0.0005193400000000, 0.0000000000000000, -0.0032689400000000 ] - [ 0.0011390500000000, 0.0000000000000000, -0.0030215000000000 ] - [ 0.0000743800000000, 0.0000000000000000, -0.0041684000000000 ] - [ -0.0000817400000000, 0.0002649600000000, -0.0035479300000000 ] - [ 0.0007235000000000, 0.0000000000000000, -0.0032596600000000 ] - [ -0.0001068200000000, -0.0002344400000000, -0.0031443500000000 ] - [ -0.0014816800000000, 0.0000000000000000, -0.0026651200000000 ] - [ -0.0022836800000000, 0.0003662700000000, -0.0006344000000000 ] - [ 0.0006399000000000, 0.0000000000000000, -0.0035940600000000 ] - [ -0.0001068200000000, 0.0002344400000000, -0.0031443500000000 ] - [ 0.0028143800000000, -0.0023993300000000, -0.0047819200000000 ] - [ -0.0001832000000000, 0.0000000000000000, -0.0027126900000000 ] - [ -0.0117731300000000, 0.0000000000000000, -0.0187093800000000 ] - [ 0.0002102100000000, 0.0000000000000000, -0.0027423600000000 ] - [ 0.0000623700000000, 0.0000000000000000, -0.0023404800000000 ] - [ 0.0006342100000000, 0.0000000000000000, -0.0014540100000000 ] - [ 0.0000181400000000, 0.0000000000000000, -0.0027055300000000 ] - [ -0.0002466000000000, 0.0000000000000000, -0.0022691800000000 ] - [ -0.0000055500000000, 0.0000000000000000, -0.0023659500000000 ] - [ -0.0007166300000000, 0.0000000000000000, -0.0025974500000000 ] - [ -0.0000400100000000, 0.0000000000000000, -0.0027112300000000 ] - [ 0.0027366100000000, -0.0211387300000000, -0.0374061300000000 ] - [ -0.0102225200000000, 0.0000000000000000, -0.0359848000000000 ] - [ 0.0034372000000000, 0.0027678600000000, -0.0054978300000000 ] - [ 0.0053983100000000, 0.0000000000000000, -0.0137824100000000 ] - [ -0.0031355500000000, -0.0008769900000000, 0.0006790900000000 ] - [ -0.0038906800000000, 0.0000000000000000, -0.0088560300000000 ] - [ -0.0017027200000000, 0.0000000000000000, -0.0304920200000000 ] - [ -0.0033203600000000, 0.0051161800000000, -0.0282973500000000 ] - [ -0.0017162700000000, 0.0000000000000000, 0.0028596100000000 ] - [ -0.0031355500000000, 0.0008769900000000, 0.0006790900000000 ] - [ -0.0016877100000000, 0.0000000000000000, 0.0074761000000000 ] - [ -0.0033203600000000, -0.0051161800000000, -0.0282973500000000 ] - [ -0.0000911600000000, 0.0000971000000000, 0.0022483100000000 ] - [ -0.0004592500000000, 0.0000000000000000, 0.0022834600000000 ] - [ 0.0001158400000000, 0.0000000000000000, 0.0036446300000000 ] - [ -0.0000911600000000, -0.0000971000000000, 0.0022483100000000 ] - [ -0.0001039800000000, 0.0000596200000000, 0.0014616100000000 ] - [ -0.0000580800000000, 0.0000000000000000, 0.0021850400000000 ] - [ -0.0003717500000000, 0.0000000000000000, 0.0016644600000000 ] - [ 0.0006318400000000, -0.0002220100000000, 0.0028019100000000 ] - [ -0.0000830300000000, -0.0000474000000000, 0.0023509800000000 ] - [ 0.0001393300000000, 0.0000000000000000, 0.0020220300000000 ] - [ 0.0003890600000000, 0.0000000000000000, 0.0024614600000000 ] - [ -0.0001394900000000, -0.0000524000000000, 0.0016891900000000 ] - [ 0.0002518800000000, 0.0000000000000000, 0.0024844500000000 ] - [ 0.0000353200000000, 0.0000459800000000, 0.0024239900000000 ] - [ -0.0001394900000000, 0.0000524000000000, 0.0016891900000000 ] - [ -0.0002050800000000, 0.0000000000000000, 0.0019844600000000 ] - [ -0.0002554000000000, 0.0001734500000000, 0.0014369400000000 ] - [ 0.0000869300000000, 0.0000000000000000, 0.0021719200000000 ] - [ 0.0000628900000000, 0.0000000000000000, 0.0019864400000000 ] - [ 0.0005841300000000, 0.0000000000000000, -0.0009213200000000 ] - [ 0.0001549800000000, 0.0000662200000000, 0.0024612100000000 ] - [ -0.0002554000000000, -0.0001734500000000, 0.0014369400000000 ] - [ 0.0008107700000000, 0.0000000000000000, 0.0022243400000000 ] - [ 0.0001549800000000, -0.0000662200000000, 0.0024612100000000 ] - [ 0.0003898500000000, 0.0000000000000000, -0.0001426200000000 ] - [ -0.0011516800000000, 0.0000000000000000, 0.0030955800000000 ] - [ 0.0026161900000000, -0.0015456800000000, 0.0029691300000000 ] - [ -0.0024547000000000, -0.0003000800000000, 0.0009912400000000 ] - [ 0.0034372000000000, -0.0027678600000000, -0.0054978300000000 ] - [ -0.0047234800000000, 0.0000000000000000, -0.0081693700000000 ] - [ 0.0027366100000000, 0.0211387300000000, -0.0374061300000000 ] - [ 0.0000030300000000, 0.0000000000000000, -0.0098732300000000 ] - [ 0.0030417900000000, 0.0019233200000000, 0.0012232400000000 ] - [ 0.0024427000000000, 0.0000000000000000, -0.0126168500000000 ] - [ -0.0054074700000000, 0.0000000000000000, -0.0068443100000000 ] - [ 0.0032343800000000, 0.0018787200000000, -0.0055654900000000 ] - [ -0.0000627000000000, 0.0000000000000000, 0.0012480500000000 ] - [ 0.0030417900000000, -0.0019233200000000, 0.0012232400000000 ] - [ 0.0000858900000000, 0.0000000000000000, -0.0008046500000000 ] - [ 0.0032343800000000, -0.0018787200000000, -0.0055654900000000 ] - [ 0.0000111200000000, 0.0000648200000000, 0.0019116200000000 ] - [ 0.0006815800000000, 0.0000000000000000, 0.0015070200000000 ] - [ 0.0009827700000000, 0.0000000000000000, -0.0003281600000000 ] - [ 0.0000111200000000, -0.0000648200000000, 0.0019116200000000 ] - [ 0.0006318400000000, 0.0002220100000000, 0.0028019100000000 ] - [ -0.0000202300000000, 0.0000000000000000, 0.0023105200000000 ] - [ -0.0000681900000000, 0.0000000000000000, 0.0019022000000000 ] - [ -0.0001039800000000, -0.0000596200000000, 0.0014616100000000 ] - [ 0.0000353200000000, -0.0000459800000000, 0.0024239900000000 ] - [ 0.0000822700000000, 0.0000000000000000, 0.0019267100000000 ] - [ 0.0000360600000000, 0.0000000000000000, 0.0022407200000000 ] - [ -0.0000258900000000, -0.0000518900000000, 0.0017345300000000 ] - [ -0.0000178000000000, 0.0000000000000000, 0.0022224600000000 ] - [ -0.0000830300000000, 0.0000474000000000, 0.0023509800000000 ] - [ -0.0000258900000000, 0.0000518900000000, 0.0017345300000000 ] - [ -0.0001781700000000, 0.0000000000000000, 0.0020794100000000 ] - [ 0.0003655900000000, -0.0003499200000000, 0.0033140300000000 ] - [ 0.0004801000000000, 0.0000000000000000, 0.0025334800000000 ] - [ 0.0000601800000000, 0.0000000000000000, 0.0020970200000000 ] - [ 0.0003282800000000, 0.0000000000000000, 0.0033703100000000 ] - [ -0.0000648100000000, 0.0000774800000000, 0.0027636600000000 ] - [ 0.0003655900000000, 0.0003499200000000, 0.0033140300000000 ] - [ -0.0006463900000000, 0.0000000000000000, 0.0026257500000000 ] - [ -0.0000648100000000, -0.0000774800000000, 0.0027636600000000 ] - [ -0.0019588200000000, 0.0000000000000000, 0.0078760800000000 ] - [ 0.0010695800000000, 0.0000000000000000, 0.0023679800000000 ] - [ -0.0024547000000000, 0.0003000800000000, 0.0009912400000000 ] - [ 0.0026161900000000, 0.0015456800000000, 0.0029691300000000 ]- atom: 3 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0158645100000000, 0.0174723100000000, 0.0131842500000000 ] - [ 0.0346748300000000, -0.0275791500000000, -0.0062836100000000 ] - [ -0.2199003800000000, 0.0132699600000000, -0.0089248000000000 ] - [ -0.0057686100000000, 0.0016021600000000, -0.0131629800000000 ] - [ 0.0165418800000000, -0.0003313000000000, 0.0003505800000000 ] - [ 0.0014676300000000, 0.0000059900000000, -0.0020894200000000 ] - [ 0.0071375600000000, -0.0016822300000000, -0.0027007400000000 ] - [ 0.0017958500000000, -0.0000075100000000, -0.0018955800000000 ] - [ 0.0103074700000000, 0.0057801400000000, -0.0112543200000000 ] - [ -0.0001407300000000, -0.0000701800000000, 0.0006947300000000 ] - [ 0.0001558900000000, -0.0000605800000000, -0.0001923400000000 ] - [ 0.0003083300000000, -0.0000075500000000, -0.0002764700000000 ] - [ -0.0007132500000000, 0.0001588000000000, -0.0004035200000000 ] - [ 0.0000172700000000, -0.0000022200000000, -0.0002800500000000 ] - [ 0.0001467800000000, 0.0000606800000000, -0.0002045200000000 ] - [ 0.0001355800000000, -0.0000079700000000, -0.0000344200000000 ] - [ 0.0000522200000000, 0.0000233800000000, -0.0001324300000000 ] - [ -0.0021479500000000, -0.0008246700000000, -0.0026755200000000 ] - [ -0.0046896300000000, 0.0005519100000000, 0.0030855300000000 ] - [ 0.0005445300000000, -0.0000828600000000, -0.0002439900000000 ] - [ 0.0000435200000000, -0.0000231900000000, -0.0001436800000000 ] - [ 0.0028513600000000, 0.0000264400000000, -0.0015557900000000 ] - [ -0.0002863300000000, 0.0000123600000000, 0.0004917500000000 ] - [ -0.0055940300000000, 0.0008886200000000, -0.0130462700000000 ] - [ 0.0163175900000000, 0.0079738200000000, -0.0118535800000000 ] - [ 0.0295055600000000, -0.0226170800000000, -0.0034689500000000 ] - [ 0.0109604300000000, 0.0003788300000000, -0.0021515000000000 ] - [ 0.0057813100000000, -0.0004133300000000, 0.0020597100000000 ] - [ -0.0371822400000000, 0.0006776300000000, 0.0174064900000000 ] - [ -0.0036760900000000, 0.0001897400000000, 0.0018125000000000 ] - [ -0.0220460600000000, -0.0126562300000000, 0.0120809600000000 ] - [ -0.0022925600000000, -0.0002292800000000, 0.0032881700000000 ] - [ 0.0123220200000000, 0.0144477800000000, 0.0126100800000000 ] - [ 0.0000111800000000, -0.0000750600000000, -0.0006016600000000 ] - [ 0.0000388300000000, -0.0000866500000000, -0.0004695400000000 ] - [ -0.0001995400000000, -0.0000075500000000, -0.0000980600000000 ] - [ 0.0015328000000000, 0.0000809700000000, 0.0002214800000000 ] - [ 0.0000343100000000, -0.0000020000000000, -0.0003057600000000 ] - [ 0.0000295500000000, 0.0000867200000000, -0.0004816500000000 ] - [ 0.0005852100000000, -0.0000075200000000, -0.0002504500000000 ] - [ 0.0000570900000000, 0.0000636500000000, 0.0002159600000000 ] - [ 0.0033711300000000, -0.0001356100000000, 0.0021585900000000 ] - [ 0.0026506000000000, -0.0000142800000000, -0.0018862400000000 ] - [ -0.0003074000000000, -0.0000713700000000, 0.0014980100000000 ] - [ 0.0000483100000000, -0.0000635500000000, 0.0002046600000000 ] - [ -0.0037567100000000, -0.0005082900000000, 0.0055012800000000 ] - [ 0.0007038600000000, 0.0000067300000000, 0.0002059500000000 ] - [ 0.0062579200000000, -0.0009392200000000, 0.0032894000000000 ] - [ 0.0002195300000000, 0.0000038200000000, -0.0004603100000000 ] - [ -0.0000317000000000, -0.0000023600000000, 0.0000702800000000 ] - [ -0.0005436700000000, 0.0001352200000000, -0.0001406800000000 ] - [ 0.0000510000000000, 0.0000046400000000, -0.0002875700000000 ] - [ -0.0003933600000000, 0.0000055200000000, 0.0000125400000000 ] - [ 0.0000917400000000, -0.0000023600000000, 0.0000056700000000 ] - [ 0.0010244800000000, 0.0000486000000000, 0.0011301200000000 ] - [ -0.0000706200000000, 0.0000047300000000, -0.0001920000000000 ] - [ 0.0548013200000000, -0.0027305200000000, 0.0240698000000000 ] - [ 0.0261954000000000, -0.0038056800000000, -0.0014791800000000 ] - [ -0.0118009300000000, -0.0005938500000000, 0.0024575600000000 ] - [ -0.0106334000000000, -0.0025616500000000, 0.0009794200000000 ] - [ -0.0034506200000000, -0.0007893700000000, 0.0001306700000000 ] - [ -0.0097087800000000, -0.0012676300000000, -0.0002036000000000 ] - [ -0.0094843600000000, 0.0019039100000000, -0.0003658900000000 ] - [ -0.0105162500000000, 0.0010366400000000, 0.0048884900000000 ] - [ -0.0012043000000000, 0.0000196400000000, 0.0004623300000000 ] - [ -0.0029753500000000, 0.0005922300000000, -0.0005461800000000 ] - [ -0.0015732900000000, 0.0000914300000000, 0.0032346500000000 ] - [ -0.0054505000000000, 0.0001762000000000, 0.0013449900000000 ] - [ -0.0001023000000000, 0.0000564300000000, 0.0001484800000000 ] - [ -0.0006042500000000, -0.0000109700000000, 0.0005816900000000 ] - [ -0.0012910600000000, -0.0001831100000000, 0.0033526800000000 ] - [ -0.0000871600000000, -0.0000500800000000, 0.0001182300000000 ] - [ -0.0005027900000000, -0.0000896300000000, -0.0008679100000000 ] - [ -0.0000442000000000, 0.0000024300000000, -0.0000310200000000 ] - [ -0.0003526200000000, 0.0000120000000000, -0.0005304800000000 ] - [ 0.0004400500000000, 0.0002112300000000, 0.0006381800000000 ] - [ 0.0000465800000000, -0.0000428500000000, 0.0001519200000000 ] - [ 0.0001415100000000, -0.0000005800000000, -0.0002128900000000 ] - [ 0.0003852000000000, -0.0000078000000000, -0.0001245600000000 ] - [ -0.0001542500000000, -0.0000308000000000, -0.0005289900000000 ] - [ -0.0000775500000000, -0.0000075100000000, -0.0000482300000000 ] - [ -0.0000895000000000, 0.0000439000000000, 0.0001050300000000 ] - [ -0.0001526800000000, 0.0000315800000000, -0.0005326200000000 ] - [ -0.0002024300000000, -0.0000005100000000, -0.0001558700000000 ] - [ 0.0004482700000000, 0.0001855900000000, 0.0011584700000000 ] - [ 0.0006112400000000, 0.0000112400000000, 0.0003701900000000 ] - [ 0.0000360600000000, 0.0000019100000000, -0.0000742300000000 ] - [ -0.0017165400000000, -0.0001801800000000, 0.0048166900000000 ] - [ -0.0001505500000000, 0.0002117700000000, 0.0006297700000000 ] - [ 0.0001999300000000, -0.0001061500000000, 0.0014663700000000 ] - [ -0.0009849600000000, 0.0000220800000000, 0.0010860900000000 ] - [ -0.0001698800000000, -0.0002105100000000, 0.0006595000000000 ] - [ -0.0018225100000000, 0.0000216600000000, 0.0035884900000000 ] - [ 0.0015453200000000, 0.0001671500000000, 0.0000970000000000 ] - [ -0.0028835000000000, 0.0001271300000000, -0.0001436300000000 ] - [ 0.0043188100000000, 0.0004464500000000, 0.0040362000000000 ] - [ -0.0066374000000000, -0.0001707500000000, 0.0000909800000000 ] - [ -0.0083842500000000, 0.0017177800000000, -0.0008714700000000 ] - [ 0.0039957500000000, -0.0001158900000000, -0.0030929800000000 ] - [ 0.0319565500000000, 0.0162838200000000, -0.0168819200000000 ] - [ 0.0059530600000000, 0.0002564900000000, 0.0035444800000000 ] - [ 0.0255076500000000, -0.0016031100000000, 0.0015508200000000 ] - [ 0.0241819200000000, -0.0036780500000000, -0.0012650500000000 ] - [ 0.0047932000000000, 0.0015797500000000, -0.0054988400000000 ] - [ 0.0005374300000000, 0.0002449200000000, -0.0008753700000000 ] - [ 0.0074350200000000, -0.0013801800000000, -0.0011089100000000 ] - [ -0.0011010100000000, 0.0021030700000000, -0.0058014000000000 ] - [ 0.0232335300000000, 0.0002853000000000, 0.0011090200000000 ] - [ 0.0000701400000000, 0.0000324200000000, -0.0002591800000000 ] - [ 0.0011989400000000, -0.0001390700000000, -0.0005886300000000 ] - [ 0.0010763400000000, -0.0020725900000000, -0.0051926300000000 ] - [ 0.0000766600000000, -0.0000280500000000, -0.0002906600000000 ] - [ 0.0003255700000000, -0.0001731800000000, 0.0008206700000000 ] - [ -0.0000572900000000, 0.0000022400000000, 0.0001220000000000 ] - [ -0.0000276100000000, 0.0000102100000000, -0.0002154300000000 ] - [ -0.0005620800000000, 0.0000866100000000, -0.0010830500000000 ] - [ -0.0000879700000000, -0.0000427000000000, 0.0001009700000000 ] - [ 0.0001271100000000, -0.0000007100000000, -0.0003117200000000 ] - [ -0.0000663900000000, -0.0000102200000000, -0.0003895800000000 ] - [ -0.0000263900000000, -0.0000288000000000, -0.0005286100000000 ] - [ 0.0002809500000000, -0.0000059200000000, 0.0002931300000000 ] - [ 0.0000450000000000, 0.0000442000000000, 0.0001545300000000 ] - [ -0.0000248300000000, 0.0000295700000000, -0.0005317200000000 ] - [ -0.0001817400000000, -0.0000006300000000, -0.0002792900000000 ] - [ -0.0004716500000000, 0.0001200400000000, -0.0015297300000000 ] - [ 0.0001724400000000, 0.0000145800000000, -0.0001506000000000 ] - [ 0.0000965600000000, 0.0000022600000000, -0.0002278500000000 ] - [ -0.0012552500000000, -0.0024984700000000, -0.0069082200000000 ] - [ 0.0001846600000000, 0.0001572400000000, 0.0002404800000000 ] - [ -0.0003898500000000, -0.0000989400000000, -0.0011885300000000 ] - [ 0.0014314900000000, -0.0001198000000000, 0.0002147900000000 ] - [ 0.0001772000000000, -0.0001535600000000, 0.0002732800000000 ] - [ 0.0003799500000000, 0.0013619700000000, -0.0036656200000000 ] - [ -0.0009487300000000, 0.0000029100000000, 0.0003984700000000 ] - [ 0.0052781200000000, -0.0000775700000000, 0.0016265500000000 ] - [ -0.0031747200000000, -0.0000903800000000, 0.0000389100000000 ]- atom: 3 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0156701400000000, -0.0175174900000000, -0.0127099200000000 ] - [ -0.0351758900000000, 0.0279744000000000, 0.0055192600000000 ] - [ 0.2222052400000000, -0.0135936600000000, 0.0104005000000000 ] - [ 0.0055513500000000, -0.0016002300000000, 0.0123997800000000 ] - [ -0.0163696200000000, 0.0002507500000000, -0.0004170700000000 ] - [ -0.0014976000000000, 0.0000033100000000, 0.0021071500000000 ] - [ -0.0073341900000000, 0.0017036700000000, 0.0028981600000000 ] - [ -0.0018275400000000, -0.0000011900000000, 0.0019112300000000 ] - [ -0.0104749500000000, -0.0058713800000000, 0.0114581700000000 ] - [ 0.0001337400000000, 0.0000705500000000, -0.0007408200000000 ] - [ 0.0000402000000000, -0.0000870000000000, -0.0005454200000000 ] - [ -0.0002154300000000, 0.0000077800000000, -0.0001411700000000 ] - [ 0.0013189100000000, -0.0001586500000000, 0.0001765900000000 ] - [ 0.0000394700000000, 0.0000022800000000, -0.0003766300000000 ] - [ 0.0000493100000000, 0.0000873000000000, -0.0005331600000000 ] - [ 0.0005737100000000, 0.0000081700000000, -0.0002939100000000 ] - [ 0.0000643500000000, 0.0000613800000000, 0.0001402900000000 ] - [ 0.0018982900000000, 0.0008235900000000, 0.0032778900000000 ] - [ 0.0044860200000000, -0.0003181000000000, -0.0021400900000000 ] - [ -0.0001327500000000, 0.0000828500000000, 0.0013369100000000 ] - [ 0.0000729700000000, -0.0000612100000000, 0.0001513400000000 ] - [ -0.0030773800000000, -0.0002601800000000, 0.0025038000000000 ] - [ 0.0006811200000000, -0.0000123000000000, 0.0002694600000000 ] - [ 0.0056369300000000, -0.0008883900000000, 0.0128481700000000 ] - [ -0.0160300800000000, -0.0078299800000000, 0.0123297800000000 ] - [ -0.0293636300000000, 0.0222913400000000, 0.0026788000000000 ] - [ -0.0108028900000000, -0.0003015600000000, 0.0020791500000000 ] - [ -0.0060186100000000, 0.0004162200000000, -0.0027599100000000 ] - [ 0.0373529300000000, -0.0007941500000000, -0.0174808200000000 ] - [ 0.0036295100000000, -0.0001789700000000, -0.0017977400000000 ] - [ 0.0217396100000000, 0.0126629000000000, -0.0119340100000000 ] - [ 0.0022455900000000, 0.0002192900000000, -0.0032736900000000 ] - [ -0.0124710400000000, -0.0144163600000000, -0.0123973400000000 ] - [ -0.0000150700000000, 0.0000752800000000, 0.0005549100000000 ] - [ 0.0001578300000000, -0.0000609400000000, -0.0002685900000000 ] - [ 0.0002928700000000, 0.0000075400000000, -0.0003190500000000 ] - [ -0.0009288500000000, -0.0000810700000000, -0.0004449800000000 ] - [ 0.0000221600000000, 0.0000023300000000, -0.0003508100000000 ] - [ 0.0001670700000000, 0.0000612500000000, -0.0002564900000000 ] - [ 0.0001242900000000, 0.0000077500000000, -0.0000773700000000 ] - [ 0.0000603400000000, 0.0000210400000000, -0.0002086800000000 ] - [ -0.0036137300000000, 0.0001355300000000, -0.0015785000000000 ] - [ -0.0028775500000000, 0.0002486800000000, 0.0028291000000000 ] - [ 0.0007242600000000, 0.0000714000000000, -0.0004069600000000 ] - [ 0.0000691700000000, -0.0000207600000000, -0.0001975500000000 ] - [ 0.0035538900000000, 0.0002749400000000, -0.0045550000000000 ] - [ -0.0003104600000000, -0.0000065100000000, 0.0005524500000000 ] - [ -0.0061832900000000, 0.0009323100000000, -0.0035566300000000 ] - [ -0.0003872400000000, -0.0000097100000000, 0.0000375900000000 ] - [ 0.0000894800000000, -0.0000043200000000, -0.0000356200000000 ] - [ 0.0008064000000000, -0.0001409900000000, 0.0011688600000000 ] - [ -0.0000728900000000, 0.0000024200000000, -0.0002334500000000 ] - [ 0.0002249900000000, -0.0000112800000000, -0.0004368400000000 ] - [ -0.0000343200000000, -0.0000040700000000, 0.0000286500000000 ] - [ -0.0007603700000000, -0.0000546900000000, -0.0001077800000000 ] - [ 0.0000488800000000, 0.0000023600000000, -0.0003288900000000 ] - [ -0.0587349100000000, 0.0027610500000000, -0.0263143000000000 ] - [ -0.0266028600000000, 0.0041232800000000, 0.0012065700000000 ] - [ 0.0117319500000000, 0.0005110200000000, -0.0022248900000000 ] - [ 0.0099399500000000, 0.0025638100000000, -0.0019847200000000 ] - [ 0.0031888200000000, 0.0005647800000000, -0.0008137400000000 ] - [ 0.0093249900000000, 0.0012587100000000, 0.0002116500000000 ] - [ 0.0090355700000000, -0.0019054800000000, 0.0002563800000000 ] - [ 0.0103874500000000, -0.0010280600000000, -0.0052459400000000 ] - [ 0.0003013500000000, -0.0000197200000000, -0.0012097200000000 ] - [ 0.0027084200000000, -0.0003652600000000, -0.0001302200000000 ] - [ 0.0013898000000000, -0.0000983500000000, -0.0036868500000000 ] - [ 0.0052557900000000, -0.0002008800000000, -0.0016864600000000 ] - [ 0.0000536700000000, 0.0000286300000000, -0.0002671800000000 ] - [ 0.0009976400000000, 0.0000112200000000, -0.0007517600000000 ] - [ 0.0018545900000000, 0.0001898500000000, -0.0031312800000000 ] - [ 0.0000385500000000, -0.0000347100000000, -0.0002365400000000 ] - [ 0.0003991400000000, -0.0002092400000000, 0.0009073700000000 ] - [ -0.0000593600000000, -0.0000023100000000, 0.0001540600000000 ] - [ -0.0000120000000000, -0.0000118900000000, -0.0001594400000000 ] - [ -0.0005461700000000, 0.0000876400000000, -0.0005968400000000 ] - [ -0.0000878000000000, -0.0000435800000000, 0.0001479300000000 ] - [ 0.0001230100000000, 0.0000006900000000, -0.0002748000000000 ] - [ -0.0000435600000000, 0.0000078500000000, -0.0003163200000000 ] - [ -0.0000236200000000, -0.0000315300000000, -0.0004898400000000 ] - [ 0.0002958500000000, 0.0000077000000000, 0.0003592600000000 ] - [ 0.0000473700000000, 0.0000433600000000, 0.0001947400000000 ] - [ -0.0000247400000000, 0.0000309400000000, -0.0004857500000000 ] - [ -0.0001853800000000, 0.0000005300000000, -0.0002431700000000 ] - [ -0.0004051200000000, 0.0001402000000000, -0.0007570800000000 ] - [ 0.0002033700000000, -0.0000109500000000, -0.0000802000000000 ] - [ 0.0000923600000000, -0.0000015700000000, -0.0001974200000000 ] - [ 0.0016471100000000, 0.0001721000000000, -0.0040743600000000 ] - [ 0.0001396000000000, 0.0001611400000000, 0.0002805800000000 ] - [ -0.0001568600000000, -0.0002193100000000, -0.0010636600000000 ] - [ 0.0011221300000000, -0.0000218000000000, 0.0000225600000000 ] - [ 0.0001586700000000, -0.0001620700000000, 0.0002509100000000 ] - [ 0.0019513400000000, -0.0000158000000000, -0.0029173600000000 ] - [ -0.0011454400000000, -0.0001666600000000, -0.0000204500000000 ] - [ 0.0027485300000000, 0.0001199600000000, 0.0011161900000000 ] - [ -0.0044691900000000, -0.0006964300000000, -0.0030842400000000 ] - [ 0.0066585500000000, 0.0002477500000000, 0.0001439300000000 ] - [ 0.0081853700000000, -0.0017103800000000, 0.0003366500000000 ] - [ -0.0040376700000000, 0.0000442300000000, 0.0032916800000000 ] - [ -0.0324087600000000, -0.0156337100000000, 0.0153923600000000 ] - [ -0.0061998500000000, -0.0004834900000000, -0.0042009400000000 ] - [ -0.0260848000000000, 0.0014494100000000, -0.0013970500000000 ] - [ -0.0244170100000000, 0.0033557100000000, 0.0009044100000000 ] - [ -0.0049387000000000, -0.0015499400000000, 0.0051870700000000 ] - [ -0.0014361600000000, -0.0002449500000000, 0.0001316000000000 ] - [ -0.0076672300000000, 0.0016034900000000, 0.0004458100000000 ] - [ 0.0009393000000000, -0.0021075600000000, 0.0053431500000000 ] - [ -0.0214677800000000, -0.0004211000000000, -0.0001204300000000 ] - [ -0.0001182000000000, 0.0000525700000000, 0.0001407900000000 ] - [ -0.0008010400000000, 0.0001391400000000, 0.0004217100000000 ] - [ -0.0004943500000000, 0.0020747400000000, 0.0054032400000000 ] - [ -0.0001246300000000, -0.0000565400000000, 0.0001724600000000 ] - [ -0.0004320100000000, -0.0001253000000000, -0.0007795100000000 ] - [ -0.0000465500000000, -0.0000019400000000, 0.0000009100000000 ] - [ -0.0003373800000000, -0.0000099500000000, -0.0004737900000000 ] - [ 0.0004582800000000, 0.0002122900000000, 0.0011230500000000 ] - [ 0.0000462700000000, -0.0000443400000000, 0.0001984600000000 ] - [ 0.0001376400000000, 0.0000009500000000, -0.0001758800000000 ] - [ 0.0004081500000000, 0.0000104900000000, -0.0000515200000000 ] - [ -0.0001514900000000, -0.0000336900000000, -0.0004900300000000 ] - [ -0.0000624400000000, 0.0000060200000000, 0.0000170200000000 ] - [ -0.0000870000000000, 0.0000431900000000, 0.0001442400000000 ] - [ -0.0001525800000000, 0.0000331200000000, -0.0004868000000000 ] - [ -0.0002059500000000, 0.0000007500000000, -0.0001199000000000 ] - [ 0.0005097600000000, 0.0002052900000000, 0.0019360300000000 ] - [ 0.0006417000000000, -0.0000142800000000, 0.0004421600000000 ] - [ 0.0000315200000000, -0.0000020200000000, -0.0000438800000000 ] - [ 0.0011684100000000, 0.0024944700000000, 0.0076634000000000 ] - [ -0.0001970200000000, 0.0002160500000000, 0.0006693700000000 ] - [ 0.0004280600000000, -0.0002263000000000, 0.0015957400000000 ] - [ -0.0013027300000000, 0.0001201500000000, 0.0008899200000000 ] - [ -0.0001897800000000, -0.0002191100000000, 0.0006366300000000 ] - [ -0.0002704000000000, -0.0013586000000000, 0.0043485500000000 ] - [ 0.0013552900000000, -0.0000027700000000, -0.0003160200000000 ] - [ -0.0054278200000000, 0.0003297700000000, -0.0006771200000000 ] - [ 0.0030356300000000, -0.0001559800000000, 0.0009357500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0084384300000000, 0.0020296900000000, 0.0048887800000000 ] - [ -0.0270944600000000, 0.0036175200000000, -0.0085771900000000 ] - [ 0.0128598900000000, -0.2147929300000000, 0.0064030100000000 ] - [ 0.0010707200000000, 0.0004684800000000, 0.0170643400000000 ] - [ 0.0003721500000000, 0.0008816100000000, 0.0003610200000000 ] - [ -0.0000351100000000, -0.0020031400000000, 0.0000484500000000 ] - [ -0.0017994700000000, -0.0000480500000000, -0.0004444000000000 ] - [ -0.0000228600000000, 0.0019963800000000, 0.0000549700000000 ] - [ 0.0147366300000000, 0.0003467200000000, -0.0040116800000000 ] - [ -0.0000634400000000, 0.0000040900000000, -0.0000881300000000 ] - [ 0.0000988200000000, -0.0000533400000000, -0.0003838200000000 ] - [ 0.0000444900000000, 0.0000001200000000, -0.0002527000000000 ] - [ 0.0004214700000000, -0.0000048800000000, -0.0000299400000000 ] - [ 0.0000302400000000, 0.0000003400000000, -0.0003485100000000 ] - [ 0.0000990700000000, 0.0000553100000000, -0.0003831000000000 ] - [ 0.0003491100000000, 0.0000004200000000, -0.0001848600000000 ] - [ 0.0000400800000000, 0.0000526700000000, -0.0000118400000000 ] - [ -0.0015522300000000, -0.0000012200000000, -0.0022727300000000 ] - [ 0.0002653500000000, 0.0000241300000000, 0.0003565500000000 ] - [ 0.0000267600000000, -0.0000013200000000, 0.0003798400000000 ] - [ 0.0000399100000000, -0.0000520900000000, -0.0000120400000000 ] - [ -0.0001701900000000, 0.0019823200000000, 0.0001626100000000 ] - [ 0.0001856100000000, -0.0000004800000000, 0.0004904200000000 ] - [ -0.0003867100000000, 0.0006372200000000, 0.0165499800000000 ] - [ 0.0172921100000000, 0.0009167400000000, -0.0056782900000000 ] - [ -0.0224530200000000, 0.0039172200000000, -0.0077727300000000 ] - [ 0.0004179100000000, -0.0008925700000000, 0.0003521800000000 ] - [ -0.0000188400000000, 0.0000901300000000, -0.0000761500000000 ] - [ -0.0006381300000000, 0.0911696100000000, -0.0005004700000000 ] - [ 0.0002255900000000, -0.0005129600000000, -0.0000396800000000 ] - [ -0.0133124100000000, 0.0034232000000000, -0.0169570700000000 ] - [ 0.0002043300000000, 0.0005014900000000, -0.0001101000000000 ] - [ 0.0059232600000000, -0.0005885600000000, 0.0053359600000000 ] - [ -0.0001132900000000, 0.0000025500000000, -0.0001738900000000 ] - [ 0.0000980700000000, -0.0000609800000000, -0.0003814000000000 ] - [ 0.0000312300000000, 0.0000003700000000, -0.0002122100000000 ] - [ 0.0004284300000000, -0.0000042300000000, -0.0001210500000000 ] - [ 0.0000217900000000, 0.0000004600000000, -0.0003474700000000 ] - [ 0.0000983100000000, 0.0000616200000000, -0.0003811000000000 ] - [ 0.0003409000000000, 0.0000005700000000, -0.0001939000000000 ] - [ 0.0000779700000000, 0.0000617300000000, -0.0000086800000000 ] - [ -0.0002212000000000, 0.0000103700000000, 0.0000914500000000 ] - [ -0.0001599500000000, -0.0019793600000000, 0.0001657100000000 ] - [ 0.0002338800000000, 0.0000014000000000, 0.0005063900000000 ] - [ 0.0000781800000000, -0.0000599900000000, -0.0000085700000000 ] - [ 0.0002600900000000, -0.0000343400000000, 0.0003937900000000 ] - [ 0.0002265200000000, 0.0000001000000000, 0.0004520900000000 ] - [ 0.0004070700000000, -0.0000792600000000, 0.0001200700000000 ] - [ -0.0000697200000000, -0.0000029900000000, -0.0001421600000000 ] - [ 0.0000291700000000, -0.0000032700000000, 0.0000103900000000 ] - [ 0.0002092200000000, -0.0000024300000000, 0.0006963300000000 ] - [ -0.0000109900000000, 0.0000035100000000, -0.0002708100000000 ] - [ -0.0000794000000000, -0.0000026900000000, -0.0001791900000000 ] - [ 0.0000303800000000, -0.0000030600000000, 0.0000043000000000 ] - [ 0.0002467000000000, -0.0000038800000000, 0.0004562100000000 ] - [ -0.0000082500000000, 0.0000036600000000, -0.0002672600000000 ] - [ 0.0002677400000000, 0.0204565600000000, 0.0041845400000000 ] - [ -0.0030308900000000, 0.0211026700000000, 0.0039998500000000 ] - [ -0.0009101800000000, 0.0043442100000000, -0.0006188100000000 ] - [ -0.0001282500000000, 0.0001516300000000, -0.0005665300000000 ] - [ -0.0000897600000000, 0.0002483100000000, -0.0004300000000000 ] - [ 0.0002698800000000, 0.0003090400000000, -0.0002595000000000 ] - [ -0.0008724400000000, 0.0003102500000000, -0.0000888100000000 ] - [ 0.0003696300000000, 0.0032440900000000, -0.0002715700000000 ] - [ -0.0000831300000000, 0.0000016800000000, -0.0009800700000000 ] - [ -0.0000952900000000, -0.0002471000000000, -0.0004582100000000 ] - [ 0.0027071100000000, 0.0000990500000000, -0.0036159200000000 ] - [ 0.0005672200000000, -0.0033884900000000, -0.0004598600000000 ] - [ -0.0000173000000000, 0.0000207200000000, -0.0000473700000000 ] - [ -0.0001134800000000, -0.0000031100000000, 0.0003768900000000 ] - [ -0.0020143000000000, 0.0001015600000000, 0.0033011300000000 ] - [ -0.0000178800000000, -0.0000206500000000, -0.0000465100000000 ] - [ -0.0000502100000000, -0.0001824300000000, 0.0000539600000000 ] - [ -0.0000490600000000, 0.0000000800000000, 0.0000646500000000 ] - [ -0.0001611600000000, -0.0000005000000000, -0.0003600200000000 ] - [ -0.0000123700000000, 0.0003828100000000, 0.0000242600000000 ] - [ -0.0000163400000000, -0.0000418500000000, 0.0001577200000000 ] - [ 0.0001312900000000, 0.0000001200000000, -0.0002293100000000 ] - [ 0.0001692900000000, 0.0000004600000000, -0.0001845700000000 ] - [ -0.0000864600000000, -0.0000343400000000, -0.0004970100000000 ] - [ 0.0000789000000000, 0.0000003400000000, 0.0002012600000000 ] - [ -0.0000244700000000, 0.0000411500000000, 0.0001649500000000 ] - [ -0.0000862500000000, 0.0000345900000000, -0.0004965600000000 ] - [ -0.0001867900000000, 0.0000000800000000, -0.0001828600000000 ] - [ 0.0001875200000000, 0.0005411000000000, 0.0003071200000000 ] - [ 0.0004348300000000, 0.0000004600000000, 0.0001283100000000 ] - [ 0.0000712500000000, 0.0000002500000000, -0.0001258500000000 ] - [ -0.0025636500000000, 0.0000738500000000, 0.0047134500000000 ] - [ 0.0000056300000000, 0.0002190500000000, 0.0004912000000000 ] - [ 0.0001830600000000, -0.0005358300000000, 0.0003126300000000 ] - [ -0.0001854000000000, 0.0000009200000000, 0.0011652100000000 ] - [ 0.0000051700000000, -0.0002187900000000, 0.0004915900000000 ] - [ 0.0023465200000000, 0.0001002500000000, -0.0027448300000000 ] - [ 0.0000197500000000, -0.0000015000000000, -0.0003839000000000 ] - [ -0.0001592200000000, -0.0001415500000000, 0.0005992500000000 ] - [ -0.0003168600000000, -0.0031852100000000, -0.0006503200000000 ] - [ -0.0010588900000000, -0.0044766300000000, -0.0003191800000000 ] - [ -0.0001022500000000, -0.0000352700000000, -0.0006718700000000 ] - [ 0.0003172200000000, -0.0115246400000000, 0.0024317000000000 ] - [ 0.0118028800000000, 0.0424683700000000, -0.0202320900000000 ] - [ -0.0006935600000000, -0.0041630600000000, -0.0002190000000000 ] - [ -0.0044526100000000, 0.0085771700000000, 0.0038891800000000 ] - [ -0.0007562100000000, 0.0160493400000000, 0.0019360000000000 ] - [ 0.0015118200000000, -0.0109695600000000, 0.0002013100000000 ] - [ -0.0005465600000000, 0.0000050700000000, -0.0007044900000000 ] - [ -0.0009973000000000, 0.0041303800000000, -0.0001875000000000 ] - [ -0.0002403900000000, -0.0000312500000000, -0.0005570000000000 ] - [ 0.0002110800000000, 0.0214357500000000, 0.0003736200000000 ] - [ -0.0000239600000000, 0.0000308100000000, -0.0000475400000000 ] - [ 0.0001913800000000, -0.0000035000000000, 0.0001418700000000 ] - [ 0.0003177500000000, 0.0003336900000000, 0.0008001500000000 ] - [ -0.0000246700000000, -0.0000308500000000, -0.0000468300000000 ] - [ -0.0000086300000000, -0.0003824500000000, 0.0000183100000000 ] - [ -0.0000503000000000, 0.0000002000000000, 0.0000668700000000 ] - [ -0.0001783200000000, 0.0000001100000000, -0.0003571600000000 ] - [ -0.0000408600000000, 0.0001944600000000, 0.0000701100000000 ] - [ -0.0000242300000000, -0.0000409200000000, 0.0001647600000000 ] - [ 0.0001299000000000, 0.0000002000000000, -0.0002283900000000 ] - [ 0.0001503900000000, 0.0000012000000000, -0.0001633400000000 ] - [ -0.0000897700000000, -0.0000332200000000, -0.0004991300000000 ] - [ 0.0001258800000000, 0.0000000600000000, 0.0001742700000000 ] - [ -0.0000166300000000, 0.0000423800000000, 0.0001572700000000 ] - [ -0.0000895800000000, 0.0000334300000000, -0.0004989500000000 ] - [ -0.0002018400000000, 0.0000001000000000, -0.0001876000000000 ] - [ -0.0000192400000000, 0.0001734800000000, 0.0002773800000000 ] - [ 0.0004197900000000, 0.0000002100000000, 0.0001317200000000 ] - [ 0.0000605900000000, 0.0000001300000000, -0.0001392400000000 ] - [ -0.0001775800000000, 0.0000723100000000, 0.0009474100000000 ] - [ -0.0000225800000000, 0.0002078200000000, 0.0004414300000000 ] - [ -0.0000171200000000, -0.0001644200000000, 0.0002740600000000 ] - [ 0.0000709900000000, 0.0000023800000000, 0.0006810700000000 ] - [ -0.0000225900000000, -0.0002075000000000, 0.0004408100000000 ] - [ 0.0000476400000000, 0.0000914000000000, 0.0002398900000000 ] - [ 0.0005516700000000, -0.0000032500000000, -0.0003259300000000 ] - [ -0.0001891900000000, 0.0032162700000000, -0.0006201500000000 ] - [ -0.0001579100000000, 0.0001421700000000, 0.0005849400000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0081968900000000, -0.0019026600000000, -0.0043285100000000 ] - [ 0.0268076000000000, -0.0037447600000000, 0.0078103900000000 ] - [ -0.0139912400000000, 0.2134718900000000, -0.0059228700000000 ] - [ -0.0013090600000000, -0.0004568600000000, -0.0177526300000000 ] - [ -0.0002097500000000, -0.0009612600000000, -0.0004338800000000 ] - [ -0.0000046900000000, 0.0020132200000000, -0.0000339700000000 ] - [ 0.0015975400000000, 0.0000429600000000, 0.0006096900000000 ] - [ -0.0000161300000000, -0.0020057400000000, -0.0000394000000000 ] - [ -0.0149526700000000, -0.0003582300000000, 0.0041485200000000 ] - [ 0.0000583500000000, -0.0000035900000000, 0.0000409800000000 ] - [ 0.0000974200000000, -0.0000943600000000, -0.0003549600000000 ] - [ 0.0000486700000000, 0.0000000700000000, -0.0001649000000000 ] - [ 0.0001833600000000, 0.0000042300000000, -0.0001954900000000 ] - [ 0.0000263800000000, -0.0000003000000000, -0.0003093700000000 ] - [ 0.0000971900000000, 0.0000927800000000, -0.0003555800000000 ] - [ 0.0003605100000000, -0.0000002200000000, -0.0001440800000000 ] - [ 0.0000769300000000, 0.0000321000000000, 0.0000192000000000 ] - [ 0.0013100900000000, -0.0000030000000000, 0.0028599400000000 ] - [ -0.0004859300000000, 0.0002115000000000, 0.0005842900000000 ] - [ 0.0003872000000000, 0.0000009300000000, 0.0007128300000000 ] - [ 0.0000770100000000, -0.0000323200000000, 0.0000191600000000 ] - [ -0.0000471400000000, -0.0022166500000000, 0.0007872100000000 ] - [ 0.0002085500000000, 0.0000005100000000, 0.0002693600000000 ] - [ 0.0004653700000000, -0.0006452500000000, -0.0168149100000000 ] - [ -0.0169918100000000, -0.0008912400000000, 0.0062469300000000 ] - [ 0.0224431200000000, -0.0038299400000000, 0.0069985900000000 ] - [ -0.0002623600000000, 0.0009729700000000, -0.0004264200000000 ] - [ -0.0002116600000000, -0.0000823700000000, -0.0006384900000000 ] - [ 0.0008336300000000, -0.0910552200000000, 0.0004304900000000 ] - [ -0.0002592700000000, 0.0005225500000000, 0.0000567400000000 ] - [ 0.0131551500000000, -0.0033381500000000, 0.0172136800000000 ] - [ -0.0002432300000000, -0.0005107000000000, 0.0001202300000000 ] - [ -0.0060941900000000, 0.0004908400000000, -0.0051952800000000 ] - [ 0.0001081200000000, -0.0000020100000000, 0.0001273300000000 ] - [ 0.0000982400000000, -0.0000867500000000, -0.0003572900000000 ] - [ 0.0000618400000000, -0.0000003900000000, -0.0002053900000000 ] - [ 0.0001755000000000, 0.0000041600000000, -0.0001050700000000 ] - [ 0.0000347600000000, -0.0000001200000000, -0.0003106400000000 ] - [ 0.0000979800000000, 0.0000864700000000, -0.0003575600000000 ] - [ 0.0003686200000000, -0.0000003100000000, -0.0001348600000000 ] - [ 0.0000390000000000, 0.0000230500000000, 0.0000161200000000 ] - [ -0.0000208200000000, -0.0000098800000000, 0.0004973600000000 ] - [ -0.0000568000000000, 0.0022144300000000, 0.0007827900000000 ] - [ 0.0001802600000000, -0.0000015700000000, 0.0005865900000000 ] - [ 0.0000388300000000, -0.0000244100000000, 0.0000158200000000 ] - [ -0.0004748000000000, -0.0002006000000000, 0.0005651200000000 ] - [ 0.0001676400000000, 0.0000001800000000, 0.0003076300000000 ] - [ -0.0003411900000000, 0.0000691700000000, -0.0003719000000000 ] - [ -0.0000983700000000, -0.0000028700000000, -0.0002814200000000 ] - [ 0.0000285500000000, -0.0000034300000000, 0.0000236900000000 ] - [ 0.0000542100000000, -0.0000026700000000, 0.0003283800000000 ] - [ -0.0000107600000000, 0.0000035500000000, -0.0002505500000000 ] - [ -0.0000884100000000, -0.0000030700000000, -0.0002448700000000 ] - [ 0.0000271600000000, -0.0000034000000000, 0.0000297300000000 ] - [ 0.0000170700000000, -0.0000021600000000, 0.0005685600000000 ] - [ -0.0000134600000000, 0.0000034500000000, -0.0002540300000000 ] - [ 0.0001503900000000, -0.0203795000000000, -0.0037109400000000 ] - [ 0.0020270700000000, -0.0196507100000000, -0.0034421700000000 ] - [ 0.0008871300000000, -0.0044146400000000, 0.0008215200000000 ] - [ -0.0005598800000000, -0.0001741400000000, -0.0004517100000000 ] - [ -0.0001716200000000, -0.0004757400000000, -0.0002367200000000 ] - [ -0.0006555300000000, -0.0002978900000000, 0.0002816800000000 ] - [ 0.0004327500000000, -0.0002924800000000, -0.0000369100000000 ] - [ -0.0005384700000000, -0.0032224500000000, -0.0000368900000000 ] - [ -0.0008175700000000, -0.0000010000000000, 0.0002337300000000 ] - [ -0.0001647200000000, 0.0004740400000000, -0.0002117200000000 ] - [ -0.0028700100000000, -0.0001050600000000, 0.0031571300000000 ] - [ -0.0007350900000000, 0.0033745700000000, 0.0001158100000000 ] - [ -0.0000309400000000, 0.0000644100000000, -0.0000704500000000 ] - [ 0.0005096800000000, 0.0000029100000000, -0.0005463600000000 ] - [ 0.0025953300000000, -0.0000962600000000, -0.0030886500000000 ] - [ -0.0000304300000000, -0.0000642000000000, -0.0000708200000000 ] - [ -0.0000546000000000, -0.0001159500000000, -0.0000130100000000 ] - [ -0.0000546400000000, 0.0000000200000000, 0.0000597800000000 ] - [ -0.0002037200000000, 0.0000005900000000, -0.0003285400000000 ] - [ -0.0000927400000000, -0.0000842800000000, 0.0000170200000000 ] - [ -0.0000249800000000, -0.0000447200000000, 0.0001433300000000 ] - [ 0.0001336400000000, -0.0000000200000000, -0.0002571100000000 ] - [ 0.0001722200000000, -0.0000003700000000, -0.0002551200000000 ] - [ -0.0000916900000000, -0.0000275100000000, -0.0005204600000000 ] - [ 0.0001393600000000, -0.0000001800000000, 0.0001091800000000 ] - [ -0.0000177300000000, 0.0000461000000000, 0.0001357200000000 ] - [ -0.0000914400000000, 0.0000275300000000, -0.0005204100000000 ] - [ -0.0002007500000000, -0.0000000600000000, -0.0002152200000000 ] - [ -0.0001460000000000, -0.0002151500000000, 0.0000949300000000 ] - [ 0.0003793600000000, -0.0000001400000000, 0.0001625600000000 ] - [ 0.0000567900000000, 0.0000000800000000, -0.0001451800000000 ] - [ 0.0024746000000000, -0.0000817900000000, -0.0039686500000000 ] - [ -0.0000170800000000, 0.0001538900000000, 0.0004190800000000 ] - [ -0.0001431400000000, 0.0002108300000000, 0.0000921000000000 ] - [ 0.0003186400000000, -0.0000002200000000, -0.0000578800000000 ] - [ -0.0000169700000000, -0.0001538400000000, 0.0004188500000000 ] - [ -0.0022336900000000, -0.0000945600000000, 0.0034241000000000 ] - [ 0.0003838400000000, 0.0000022000000000, 0.0004639200000000 ] - [ 0.0000203400000000, 0.0003896800000000, 0.0003666900000000 ] - [ 0.0001644700000000, 0.0029388600000000, 0.0016159000000000 ] - [ 0.0010571000000000, 0.0045535300000000, 0.0005564400000000 ] - [ -0.0000972000000000, 0.0000227300000000, 0.0001509600000000 ] - [ -0.0002381400000000, 0.0114361700000000, -0.0021852200000000 ] - [ -0.0110159700000000, -0.0401919500000000, 0.0175645400000000 ] - [ 0.0004470400000000, 0.0039380500000000, -0.0004522200000000 ] - [ 0.0035755600000000, -0.0097120000000000, -0.0030827000000000 ] - [ 0.0011087000000000, -0.0175096300000000, -0.0030533900000000 ] - [ -0.0017429800000000, 0.0109814800000000, -0.0005658500000000 ] - [ -0.0003555500000000, -0.0000056800000000, -0.0000413900000000 ] - [ 0.0007178900000000, -0.0039022300000000, -0.0004774000000000 ] - [ 0.0000746100000000, 0.0000173100000000, 0.0001044400000000 ] - [ -0.0005403900000000, -0.0214384500000000, -0.0008234500000000 ] - [ -0.0000245700000000, 0.0000543300000000, -0.0000700300000000 ] - [ 0.0002037200000000, 0.0000039300000000, -0.0003103600000000 ] - [ 0.0002586500000000, -0.0003208000000000, -0.0005820100000000 ] - [ -0.0000237700000000, -0.0000539300000000, -0.0000705000000000 ] - [ -0.0000959600000000, 0.0000840400000000, 0.0000220200000000 ] - [ -0.0000534500000000, 0.0000001300000000, 0.0000574400000000 ] - [ -0.0001865300000000, 0.0000002800000000, -0.0003314200000000 ] - [ -0.0000635000000000, 0.0001042800000000, -0.0000280200000000 ] - [ -0.0000175200000000, -0.0000461000000000, 0.0001356400000000 ] - [ 0.0001351100000000, 0.0000000600000000, -0.0002578700000000 ] - [ 0.0001912300000000, -0.0000009100000000, -0.0002756900000000 ] - [ -0.0000884100000000, -0.0000288000000000, -0.0005183500000000 ] - [ 0.0000925200000000, 0.0000000500000000, 0.0001363300000000 ] - [ -0.0000253900000000, 0.0000450400000000, 0.0001428300000000 ] - [ -0.0000881300000000, 0.0000287700000000, -0.0005184000000000 ] - [ -0.0001854000000000, -0.0000000400000000, -0.0002106900000000 ] - [ 0.0000591700000000, 0.0001518200000000, 0.0001247300000000 ] - [ 0.0003942700000000, 0.0000001300000000, 0.0001592600000000 ] - [ 0.0000674800000000, 0.0000000900000000, -0.0001319400000000 ] - [ 0.0000888100000000, -0.0000903100000000, -0.0002068600000000 ] - [ 0.0000110200000000, 0.0001652400000000, 0.0004688500000000 ] - [ 0.0000579300000000, -0.0001608600000000, 0.0001300600000000 ] - [ 0.0000620800000000, -0.0000023400000000, 0.0004256600000000 ] - [ 0.0000108000000000, -0.0001649600000000, 0.0004695400000000 ] - [ 0.0000666400000000, -0.0000810200000000, 0.0004369900000000 ] - [ -0.0001484900000000, 0.0000030500000000, 0.0004061000000000 ] - [ 0.0000588900000000, -0.0029678200000000, 0.0015814000000000 ] - [ 0.0000186600000000, -0.0003900800000000, 0.0003793800000000 ]- atom: 3 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0137218800000000, 0.0132902400000000, 0.0003557100000000 ] - [ 0.0006320500000000, -0.0119030900000000, -0.0313460600000000 ] - [ -0.0407981200000000, 0.0081161700000000, -0.1668536400000000 ] - [ -0.0067372600000000, 0.0070237900000000, 0.0129594100000000 ] - [ 0.0028158500000000, -0.0004751800000000, -0.0113175100000000 ] - [ -0.0016717600000000, -0.0000286500000000, 0.0020331800000000 ] - [ -0.0011811000000000, -0.0008818700000000, -0.0035109900000000 ] - [ -0.0013469600000000, 0.0000394200000000, 0.0021673400000000 ] - [ -0.0148844500000000, 0.0005859700000000, -0.0034300300000000 ] - [ 0.0007134800000000, -0.0000641600000000, 0.0037471900000000 ] - [ 0.0003500000000000, 0.0001066900000000, 0.0027205200000000 ] - [ -0.0002410700000000, -0.0000146500000000, 0.0027174700000000 ] - [ -0.0006335500000000, 0.0002353300000000, 0.0037141500000000 ] - [ 0.0000295800000000, -0.0000030300000000, 0.0035793100000000 ] - [ 0.0003383400000000, -0.0001065300000000, 0.0027104300000000 ] - [ 0.0001090600000000, -0.0000103700000000, 0.0030171800000000 ] - [ 0.0000756500000000, 0.0002964000000000, 0.0030772200000000 ] - [ -0.0030425000000000, -0.0020097800000000, 0.0055351800000000 ] - [ 0.0016171400000000, 0.0001092500000000, 0.0033058200000000 ] - [ -0.0003522700000000, -0.0001579400000000, 0.0040801700000000 ] - [ 0.0000593700000000, -0.0002961600000000, 0.0030561300000000 ] - [ -0.0016389900000000, 0.0001378400000000, 0.0021834100000000 ] - [ 0.0002144600000000, 0.0000248600000000, 0.0041549000000000 ] - [ -0.0068758300000000, 0.0078533000000000, 0.0143530200000000 ] - [ -0.0141153900000000, -0.0001637400000000, -0.0032280700000000 ] - [ -0.0003765300000000, -0.0105729700000000, -0.0305299300000000 ] - [ -0.0004570100000000, 0.0004740600000000, -0.0122727900000000 ] - [ 0.0032123200000000, -0.0004463200000000, -0.0026033400000000 ] - [ 0.0120253900000000, 0.0005029300000000, -0.0459299600000000 ] - [ 0.0016249300000000, 0.0001728400000000, 0.0038718800000000 ] - [ 0.0095103400000000, -0.0197525400000000, 0.0202215400000000 ] - [ 0.0039935500000000, -0.0002080300000000, 0.0059087600000000 ] - [ 0.0128100600000000, 0.0125934800000000, -0.0003470600000000 ] - [ -0.0004185600000000, -0.0001055400000000, 0.0033979700000000 ] - [ 0.0000936200000000, 0.0000845400000000, 0.0027175600000000 ] - [ -0.0002623100000000, -0.0000115400000000, 0.0029496600000000 ] - [ 0.0009722800000000, 0.0000592100000000, 0.0025194000000000 ] - [ 0.0000293800000000, -0.0000027200000000, 0.0035936200000000 ] - [ 0.0000805700000000, -0.0000844900000000, 0.0027007300000000 ] - [ 0.0001834100000000, -0.0000107500000000, 0.0027708400000000 ] - [ 0.0003557900000000, 0.0002949100000000, 0.0030193600000000 ] - [ 0.0015206300000000, -0.0000893700000000, 0.0015618400000000 ] - [ -0.0019481000000000, -0.0001346300000000, 0.0019719000000000 ] - [ 0.0008476200000000, -0.0000656300000000, 0.0041900700000000 ] - [ 0.0003419900000000, -0.0002944800000000, 0.0030092600000000 ] - [ 0.0037552900000000, -0.0000731000000000, 0.0058865600000000 ] - [ 0.0001625200000000, 0.0000211700000000, 0.0031897400000000 ] - [ 0.0029461200000000, -0.0006624200000000, -0.0021972100000000 ] - [ -0.0001634500000000, 0.0000096400000000, 0.0017485000000000 ] - [ 0.0000372900000000, -0.0000020500000000, 0.0024391000000000 ] - [ -0.0004095200000000, 0.0002939200000000, 0.0036698500000000 ] - [ -0.0000144700000000, 0.0000051000000000, 0.0021722300000000 ] - [ -0.0001621400000000, 0.0000108400000000, 0.0024236200000000 ] - [ 0.0000169300000000, -0.0000016800000000, 0.0023725600000000 ] - [ 0.0005343300000000, 0.0000295400000000, 0.0024189600000000 ] - [ -0.0000111400000000, 0.0000049000000000, 0.0022396100000000 ] - [ 0.0299309600000000, 0.0031457300000000, 0.0422310900000000 ] - [ 0.0003764800000000, 0.0081368400000000, 0.0358753900000000 ] - [ 0.0026515100000000, -0.0018439800000000, 0.0093455700000000 ] - [ -0.0058269800000000, -0.0022535400000000, 0.0051262700000000 ] - [ -0.0002938800000000, -0.0004309400000000, 0.0010519500000000 ] - [ -0.0039087700000000, -0.0012887100000000, 0.0056713600000000 ] - [ -0.0039559800000000, 0.0016807300000000, 0.0061026000000000 ] - [ 0.0010219800000000, 0.0002855300000000, 0.0095522200000000 ] - [ 0.0000812100000000, 0.0000009100000000, -0.0016616500000000 ] - [ 0.0000452300000000, 0.0003108400000000, 0.0006859400000000 ] - [ 0.0036017600000000, -0.0001943800000000, -0.0012669600000000 ] - [ 0.0043529300000000, 0.0003280200000000, 0.0062645800000000 ] - [ 0.0000811100000000, 0.0000140200000000, -0.0020653400000000 ] - [ 0.0006387500000000, 0.0000031600000000, -0.0015772900000000 ] - [ 0.0027849600000000, 0.0000379600000000, -0.0017125600000000 ] - [ 0.0001031100000000, -0.0000048100000000, -0.0021080000000000 ] - [ -0.0010048100000000, -0.0002112300000000, -0.0019558500000000 ] - [ -0.0001135500000000, 0.0000033000000000, -0.0021794100000000 ] - [ -0.0002822500000000, 0.0000090500000000, -0.0024085600000000 ] - [ 0.0004255000000000, 0.0004749000000000, -0.0020778600000000 ] - [ -0.0000089500000000, -0.0000414200000000, -0.0021424700000000 ] - [ 0.0001968400000000, -0.0000009100000000, -0.0024557500000000 ] - [ 0.0002664200000000, -0.0000100200000000, -0.0028998700000000 ] - [ -0.0001134200000000, -0.0000083100000000, -0.0027178900000000 ] - [ 0.0000226900000000, -0.0000039600000000, -0.0019703600000000 ] - [ -0.0000260900000000, 0.0000426500000000, -0.0020611900000000 ] - [ -0.0001108300000000, 0.0000092900000000, -0.0027218100000000 ] - [ -0.0001510800000000, -0.0000013300000000, -0.0024342100000000 ] - [ 0.0012317400000000, 0.0003366300000000, -0.0024241200000000 ] - [ 0.0006631300000000, 0.0000192500000000, -0.0021452100000000 ] - [ 0.0001161200000000, 0.0000036700000000, -0.0022952800000000 ] - [ 0.0025999300000000, 0.0002205100000000, -0.0005231600000000 ] - [ 0.0000984400000000, 0.0002646200000000, -0.0016229400000000 ] - [ 0.0006908800000000, -0.0001740000000000, -0.0018852200000000 ] - [ 0.0006675900000000, 0.0000520300000000, -0.0009104600000000 ] - [ 0.0000628500000000, -0.0002625900000000, -0.0015657500000000 ] - [ 0.0028973000000000, -0.0002869300000000, -0.0014106600000000 ] - [ -0.0004383800000000, 0.0004623900000000, -0.0035065500000000 ] - [ -0.0002500200000000, 0.0000139400000000, 0.0008227300000000 ] - [ -0.0005287000000000, -0.0007934300000000, -0.0021743300000000 ] - [ 0.0057011500000000, 0.0012557500000000, 0.0065350800000000 ] - [ -0.0040695800000000, 0.0016830800000000, 0.0067360400000000 ] - [ -0.0014129700000000, -0.0030259000000000, 0.0128570700000000 ] - [ -0.0094823800000000, -0.0176239500000000, 0.0366341300000000 ] - [ -0.0018724100000000, -0.0003060900000000, -0.0028302400000000 ] - [ 0.0047901900000000, 0.0014521500000000, 0.0231158800000000 ] - [ 0.0035282900000000, 0.0020010000000000, 0.0306015100000000 ] - [ -0.0030836600000000, 0.0026081300000000, 0.0124820500000000 ] - [ -0.0008743900000000, 0.0005318500000000, -0.0035068400000000 ] - [ -0.0018052400000000, -0.0006889000000000, -0.0086895200000000 ] - [ -0.0032975300000000, 0.0017142800000000, -0.0020501100000000 ] - [ 0.0052110400000000, 0.0006317300000000, 0.0271161400000000 ] - [ -0.0001364500000000, 0.0000241400000000, -0.0023413500000000 ] - [ -0.0001489100000000, -0.0002729700000000, -0.0031955000000000 ] - [ -0.0017761100000000, -0.0018592600000000, -0.0020915000000000 ] - [ -0.0001390100000000, -0.0000206000000000, -0.0023806500000000 ] - [ 0.0002410800000000, -0.0004163900000000, -0.0018307400000000 ] - [ -0.0000235900000000, 0.0000031000000000, -0.0020946400000000 ] - [ -0.0000151200000000, 0.0000135400000000, -0.0024974900000000 ] - [ -0.0010664600000000, 0.0002107600000000, -0.0021009500000000 ] - [ -0.0000223600000000, -0.0000408500000000, -0.0020664700000000 ] - [ 0.0001126600000000, -0.0000010500000000, -0.0025086900000000 ] - [ 0.0000225600000000, -0.0000072000000000, -0.0027465800000000 ] - [ -0.0000801900000000, -0.0000051900000000, -0.0027695400000000 ] - [ 0.0001985800000000, -0.0000108600000000, -0.0021619600000000 ] - [ -0.0000105700000000, 0.0000430100000000, -0.0021383800000000 ] - [ -0.0000787000000000, 0.0000061700000000, -0.0027727800000000 ] - [ -0.0002448800000000, -0.0000014100000000, -0.0024681500000000 ] - [ -0.0007616800000000, 0.0001229600000000, -0.0017389500000000 ] - [ 0.0003929300000000, 0.0000087500000000, -0.0019137900000000 ] - [ 0.0000057100000000, 0.0000041300000000, -0.0023603900000000 ] - [ -0.0025111700000000, -0.0016745700000000, -0.0017273500000000 ] - [ -0.0002178400000000, 0.0003145500000000, -0.0019156800000000 ] - [ -0.0007016200000000, -0.0001104900000000, -0.0015424400000000 ] - [ -0.0008195300000000, -0.0003855000000000, -0.0024012000000000 ] - [ -0.0002103700000000, -0.0003092300000000, -0.0018601100000000 ] - [ -0.0019676700000000, 0.0010344900000000, -0.0007366200000000 ] - [ 0.0006283200000000, -0.0000111100000000, -0.0016314200000000 ] - [ -0.0001626600000000, 0.0013117400000000, -0.0066306900000000 ] - [ -0.0004239400000000, 0.0000078000000000, 0.0009075900000000 ]- atom: 3 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0135179200000000, -0.0132917900000000, 0.0002832600000000 ] - [ -0.0006316200000000, 0.0118277400000000, 0.0306195300000000 ] - [ 0.0414494400000000, -0.0079212900000000, 0.1660962700000000 ] - [ 0.0064023000000000, -0.0068757200000000, -0.0136415800000000 ] - [ -0.0026527600000000, 0.0003949500000000, 0.0112391800000000 ] - [ 0.0016270800000000, 0.0000374800000000, -0.0020339100000000 ] - [ 0.0009859100000000, 0.0008832900000000, 0.0036525400000000 ] - [ 0.0013069800000000, -0.0000474900000000, -0.0021669600000000 ] - [ 0.0146961500000000, -0.0006110000000000, 0.0035117000000000 ] - [ -0.0007138300000000, 0.0000639300000000, -0.0037936500000000 ] - [ -0.0001521800000000, -0.0002542000000000, -0.0034613000000000 ] - [ 0.0003337900000000, 0.0000151600000000, -0.0031353100000000 ] - [ 0.0012318500000000, -0.0002313600000000, -0.0039352600000000 ] - [ 0.0000264900000000, 0.0000031100000000, -0.0042387400000000 ] - [ -0.0001406700000000, 0.0002544400000000, -0.0034511800000000 ] - [ 0.0005994600000000, 0.0000104300000000, -0.0033467900000000 ] - [ 0.0000425600000000, -0.0002114700000000, -0.0030716400000000 ] - [ 0.0028361600000000, 0.0020527100000000, -0.0049628800000000 ] - [ -0.0018433700000000, 0.0001279300000000, -0.0023514700000000 ] - [ 0.0007706300000000, 0.0001613800000000, -0.0029872500000000 ] - [ 0.0000591000000000, 0.0002115900000000, -0.0030503200000000 ] - [ 0.0014236800000000, -0.0003725500000000, -0.0012204400000000 ] - [ 0.0001799300000000, -0.0000253700000000, -0.0034014000000000 ] - [ 0.0070566900000000, -0.0080162600000000, -0.0146313100000000 ] - [ 0.0143883900000000, 0.0001904800000000, 0.0038857500000000 ] - [ 0.0001641500000000, 0.0106191100000000, 0.0296961500000000 ] - [ 0.0006149000000000, -0.0003939100000000, 0.0121946500000000 ] - [ -0.0034355200000000, 0.0004521800000000, 0.0018681900000000 ] - [ -0.0118575600000000, -0.0006286900000000, 0.0458486700000000 ] - [ -0.0016572300000000, -0.0001632400000000, -0.0038669700000000 ] - [ -0.0096032400000000, 0.0194597000000000, -0.0198515800000000 ] - [ -0.0039800300000000, 0.0001985500000000, -0.0058731100000000 ] - [ -0.0129235600000000, -0.0125837300000000, 0.0004425000000000 ] - [ 0.0004091600000000, 0.0001039700000000, -0.0034475700000000 ] - [ 0.0001020100000000, -0.0002322400000000, -0.0034582200000000 ] - [ 0.0003556100000000, 0.0000117400000000, -0.0033697500000000 ] - [ -0.0003608400000000, -0.0000589500000000, -0.0027487700000000 ] - [ 0.0000276400000000, 0.0000030500000000, -0.0042536300000000 ] - [ 0.0001147700000000, 0.0002325700000000, -0.0034416400000000 ] - [ 0.0005260200000000, 0.0000108100000000, -0.0031023000000000 ] - [ -0.0002404600000000, -0.0002099900000000, -0.0030131100000000 ] - [ -0.0017723000000000, 0.0000908500000000, -0.0009618200000000 ] - [ 0.0017391900000000, 0.0003697300000000, -0.0010082600000000 ] - [ -0.0004401100000000, 0.0000664600000000, -0.0030991700000000 ] - [ -0.0002263500000000, 0.0002099300000000, -0.0030030000000000 ] - [ -0.0040263100000000, -0.0001638900000000, -0.0049606000000000 ] - [ 0.0002317600000000, -0.0000214300000000, -0.0024265000000000 ] - [ -0.0028892600000000, 0.0006553800000000, 0.0019789200000000 ] - [ -0.0000045100000000, -0.0000152500000000, -0.0021757800000000 ] - [ 0.0000203600000000, -0.0000046000000000, -0.0024063000000000 ] - [ 0.0006796800000000, -0.0003060600000000, -0.0026526800000000 ] - [ -0.0000069900000000, 0.0000019400000000, -0.0026946200000000 ] - [ -0.0000060900000000, -0.0000162900000000, -0.0028452500000000 ] - [ 0.0000405100000000, -0.0000048200000000, -0.0023396800000000 ] - [ -0.0002740900000000, -0.0000359500000000, -0.0013910800000000 ] - [ -0.0000104200000000, 0.0000022300000000, -0.0027614400000000 ] - [ -0.0319803600000000, -0.0031484300000000, -0.0429154300000000 ] - [ -0.0009748500000000, -0.0074672500000000, -0.0358812800000000 ] - [ -0.0026542900000000, 0.0017652300000000, -0.0091260500000000 ] - [ 0.0051312500000000, 0.0022402700000000, -0.0061525600000000 ] - [ 0.0000324300000000, 0.0002035300000000, -0.0017108500000000 ] - [ 0.0035198400000000, 0.0012919800000000, -0.0056420900000000 ] - [ 0.0035069600000000, -0.0016692000000000, -0.0062393100000000 ] - [ -0.0011966800000000, -0.0002701500000000, -0.0098769000000000 ] - [ -0.0009835300000000, -0.0000008400000000, 0.0009262000000000 ] - [ -0.0003071500000000, -0.0000830500000000, -0.0013447900000000 ] - [ -0.0037612500000000, 0.0001844100000000, 0.0008311800000000 ] - [ -0.0045389600000000, -0.0003432200000000, -0.0065907300000000 ] - [ -0.0001292100000000, 0.0000708700000000, 0.0019524100000000 ] - [ -0.0002447000000000, -0.0000029300000000, 0.0014190200000000 ] - [ -0.0022069700000000, -0.0000301500000000, 0.0019497900000000 ] - [ -0.0001508400000000, -0.0000796900000000, 0.0019946800000000 ] - [ 0.0008951800000000, -0.0000852500000000, 0.0020013800000000 ] - [ 0.0000093600000000, -0.0000031100000000, 0.0023067800000000 ] - [ -0.0000836300000000, -0.0000088600000000, 0.0017247900000000 ] - [ -0.0005229000000000, -0.0001759100000000, 0.0021225200000000 ] - [ -0.0000328200000000, -0.0000453800000000, 0.0024459300000000 ] - [ 0.0000693600000000, 0.0000009800000000, 0.0019709100000000 ] - [ 0.0000760600000000, 0.0000099500000000, 0.0024604500000000 ] - [ -0.0000654200000000, -0.0000529000000000, 0.0017022800000000 ] - [ 0.0001965000000000, 0.0000041600000000, 0.0022809500000000 ] - [ -0.0000160900000000, 0.0000449700000000, 0.0023635900000000 ] - [ -0.0000675700000000, 0.0000521500000000, 0.0017065400000000 ] - [ -0.0002367300000000, 0.0000014100000000, 0.0020380600000000 ] - [ -0.0012070200000000, -0.0000127900000000, 0.0028331000000000 ] - [ 0.0001494300000000, -0.0000194300000000, 0.0024379700000000 ] - [ 0.0000114200000000, -0.0000034200000000, 0.0020257300000000 ] - [ -0.0026960100000000, -0.0002299600000000, 0.0012396700000000 ] - [ -0.0001114500000000, 0.0001084400000000, 0.0025336800000000 ] - [ -0.0006552900000000, -0.0001530600000000, 0.0022843600000000 ] - [ -0.0005375000000000, -0.0000527600000000, 0.0020110700000000 ] - [ -0.0000753800000000, -0.0001101700000000, 0.0024753800000000 ] - [ -0.0027880300000000, 0.0002977700000000, 0.0020663900000000 ] - [ 0.0008479100000000, -0.0004724300000000, 0.0035971700000000 ] - [ 0.0001136900000000, 0.0002369500000000, 0.0001301500000000 ] - [ 0.0003734300000000, 0.0005387000000000, 0.0031178400000000 ] - [ -0.0056877200000000, -0.0011763000000000, -0.0063158500000000 ] - [ 0.0038682900000000, -0.0016873600000000, -0.0072476100000000 ] - [ 0.0013958500000000, 0.0029460700000000, -0.0126570600000000 ] - [ 0.0092476600000000, 0.0182701800000000, -0.0378881800000000 ] - [ 0.0016312400000000, 0.0000757300000000, 0.0021888100000000 ] - [ -0.0054310900000000, -0.0019276400000000, -0.0226220000000000 ] - [ -0.0037170600000000, -0.0024384800000000, -0.0311150300000000 ] - [ 0.0029156700000000, -0.0025772700000000, -0.0127928000000000 ] - [ -0.0000349500000000, -0.0005197000000000, 0.0027550800000000 ] - [ 0.0015185000000000, 0.0009072300000000, 0.0079460000000000 ] - [ 0.0031124400000000, -0.0017134100000000, 0.0016096000000000 ] - [ -0.0040313500000000, -0.0007312700000000, -0.0264849100000000 ] - [ 0.0000866700000000, 0.0000607400000000, 0.0022261700000000 ] - [ 0.0005384200000000, 0.0002674100000000, 0.0030244100000000 ] - [ 0.0023361000000000, 0.0018537200000000, 0.0023224900000000 ] - [ 0.0000890900000000, -0.0000638900000000, 0.0022651300000000 ] - [ -0.0003416900000000, 0.0001186500000000, 0.0018791300000000 ] - [ -0.0000799200000000, -0.0000027600000000, 0.0022224500000000 ] - [ -0.0003482900000000, -0.0000130900000000, 0.0018130800000000 ] - [ 0.0009563700000000, 0.0000860800000000, 0.0021470200000000 ] - [ -0.0000194500000000, -0.0000464600000000, 0.0023687800000000 ] - [ 0.0001528400000000, 0.0000012700000000, 0.0020238400000000 ] - [ 0.0003177500000000, 0.0000074400000000, 0.0023088200000000 ] - [ -0.0000981200000000, -0.0000560700000000, 0.0017534300000000 ] - [ 0.0000187400000000, 0.0000112500000000, 0.0024745500000000 ] - [ -0.0000318900000000, 0.0000446000000000, 0.0024408600000000 ] - [ -0.0000990500000000, 0.0000553800000000, 0.0017568300000000 ] - [ -0.0001415100000000, 0.0000015300000000, 0.0020719100000000 ] - [ 0.0008081300000000, 0.0002029400000000, 0.0021389400000000 ] - [ 0.0004224700000000, -0.0000084700000000, 0.0022047500000000 ] - [ 0.0001229500000000, -0.0000040000000000, 0.0020911300000000 ] - [ 0.0024414200000000, 0.0016753600000000, 0.0024537200000000 ] - [ 0.0002077300000000, 0.0000581900000000, 0.0028293300000000 ] - [ 0.0007482000000000, -0.0002153000000000, 0.0019428800000000 ] - [ 0.0009620500000000, 0.0003943700000000, 0.0035163900000000 ] - [ 0.0001997800000000, -0.0000630300000000, 0.0027727400000000 ] - [ 0.0021034200000000, -0.0010377400000000, 0.0014026500000000 ] - [ -0.0002251400000000, 0.0000114300000000, 0.0017035500000000 ] - [ 0.0000158700000000, -0.0010658200000000, 0.0076713700000000 ] - [ 0.0002861700000000, -0.0002582400000000, 0.0000445600000000 ]- atom: 4 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0018209100000000, 0.0000000000000000, 0.0017292400000000 ] - [ -0.0044143300000000, 0.0000000000000000, 0.0106626600000000 ] - [ -0.0056298700000000, 0.0012548900000000, -0.0058249500000000 ] - [ -0.2849140300000000, 0.0000000000000000, -0.0218293600000000 ] - [ 0.0059746600000000, -0.0001378000000000, 0.0024564200000000 ] - [ 0.0127587700000000, 0.0150691100000000, -0.0179146500000000 ] - [ 0.0266675500000000, 0.0000000000000000, 0.0101650300000000 ] - [ 0.0127587700000000, -0.0150691100000000, -0.0179146500000000 ] - [ -0.0055354500000000, 0.0000000000000000, 0.0096479400000000 ] - [ 0.0040775700000000, 0.0000000000000000, 0.0034572300000000 ] - [ 0.0011642700000000, -0.0000733500000000, 0.0001344800000000 ] - [ 0.0000879700000000, 0.0000000000000000, -0.0003182500000000 ] - [ -0.0120878000000000, 0.0000000000000000, 0.0005730600000000 ] - [ -0.0002206900000000, 0.0000000000000000, -0.0004656500000000 ] - [ 0.0011642700000000, 0.0000733500000000, 0.0001344800000000 ] - [ -0.0008688900000000, 0.0000000000000000, 0.0009653400000000 ] - [ 0.0001339500000000, 0.0000354800000000, -0.0000756400000000 ] - [ -0.0001299900000000, 0.0000000000000000, -0.0000768000000000 ] - [ -0.0005506500000000, 0.0001240100000000, 0.0005352600000000 ] - [ 0.0003058300000000, 0.0000000000000000, 0.0004113100000000 ] - [ 0.0001339500000000, -0.0000354800000000, -0.0000756400000000 ] - [ 0.0003452600000000, -0.0001444500000000, 0.0002689100000000 ] - [ 0.0001561800000000, 0.0000000000000000, 0.0003019500000000 ] - [ -0.0000971600000000, 0.0000000000000000, -0.0016018400000000 ] - [ 0.0012673900000000, 0.0000000000000000, -0.0014292900000000 ] - [ 0.0057419900000000, 0.0000000000000000, -0.0051286500000000 ] - [ 0.0059746600000000, 0.0001378000000000, 0.0024564200000000 ] - [ 0.0119338100000000, 0.0000000000000000, 0.0001667600000000 ] - [ -0.0056298700000000, -0.0012548900000000, -0.0058249500000000 ] - [ 0.0141968000000000, 0.0070603200000000, 0.0133501300000000 ] - [ 0.0067664600000000, 0.0000000000000000, -0.0117261300000000 ] - [ 0.0141968000000000, -0.0070603200000000, 0.0133501300000000 ] - [ 0.0215426200000000, 0.0000000000000000, -0.0114542300000000 ] - [ -0.0006502900000000, 0.0000000000000000, -0.0031204600000000 ] - [ -0.0007605800000000, -0.0003093400000000, -0.0011566000000000 ] - [ 0.0000156700000000, 0.0000000000000000, -0.0002141400000000 ] - [ 0.0064864700000000, 0.0000000000000000, -0.0005583500000000 ] - [ 0.0003244700000000, 0.0000000000000000, -0.0003430500000000 ] - [ -0.0007605800000000, 0.0003093400000000, -0.0011566000000000 ] - [ 0.0015026200000000, 0.0000000000000000, -0.0011016500000000 ] - [ -0.0000202100000000, 0.0000361600000000, -0.0000385600000000 ] - [ -0.0001073300000000, 0.0000000000000000, 0.0006147000000000 ] - [ 0.0003452600000000, 0.0001444500000000, 0.0002689100000000 ] - [ 0.0001151100000000, 0.0000000000000000, 0.0005413700000000 ] - [ -0.0000202100000000, -0.0000361600000000, -0.0000385600000000 ] - [ -0.0005506500000000, -0.0001240100000000, 0.0005352600000000 ] - [ 0.0002352900000000, 0.0000000000000000, 0.0003283900000000 ] - [ 0.0001657300000000, 0.0000000000000000, 0.0011294700000000 ] - [ 0.0012257500000000, 0.0000000000000000, -0.0029592100000000 ] - [ 0.0000180700000000, 0.0000000000000000, 0.0001328200000000 ] - [ 0.0001095500000000, 0.0000000000000000, 0.0003671600000000 ] - [ 0.0002189000000000, 0.0000000000000000, -0.0005329600000000 ] - [ -0.0015329700000000, 0.0000000000000000, 0.0024968200000000 ] - [ 0.0000351300000000, 0.0000000000000000, -0.0001936100000000 ] - [ 0.0001464300000000, 0.0000000000000000, 0.0005588000000000 ] - [ -0.0002883000000000, 0.0000000000000000, -0.0000906700000000 ] - [ 0.0023056000000000, -0.0000579500000000, 0.0001842800000000 ] - [ 0.0230667500000000, 0.0000000000000000, 0.0036004500000000 ] - [ -0.0023238700000000, -0.0003280800000000, 0.0008677200000000 ] - [ -0.0013163300000000, 0.0000000000000000, -0.0026847500000000 ] - [ -0.0112891100000000, -0.0047108200000000, -0.0014037800000000 ] - [ -0.0067917000000000, 0.0000000000000000, 0.0001144100000000 ] - [ -0.0014921400000000, 0.0000000000000000, -0.0026165800000000 ] - [ -0.0036973600000000, -0.0023856600000000, -0.0076929000000000 ] - [ -0.0069885300000000, 0.0000000000000000, 0.0094234400000000 ] - [ -0.0112891100000000, 0.0047108200000000, -0.0014037800000000 ] - [ 0.0991976200000000, 0.0000000000000000, -0.0197196700000000 ] - [ -0.0036973600000000, 0.0023856600000000, -0.0076929000000000 ] - [ -0.0000730600000000, 0.0002012800000000, 0.0014541900000000 ] - [ -0.0022975100000000, 0.0000000000000000, 0.0027437900000000 ] - [ 0.0009660800000000, 0.0000000000000000, 0.0017742500000000 ] - [ -0.0000730600000000, -0.0002012800000000, 0.0014541900000000 ] - [ -0.0044705900000000, 0.0006516300000000, -0.0021842600000000 ] - [ -0.0003416900000000, 0.0000000000000000, -0.0004218100000000 ] - [ -0.0016261200000000, 0.0000000000000000, -0.0004459600000000 ] - [ 0.0048561400000000, -0.0014662000000000, 0.0053603100000000 ] - [ -0.0000781100000000, -0.0000441700000000, 0.0001271200000000 ] - [ 0.0004243300000000, 0.0000000000000000, 0.0000866100000000 ] - [ 0.0019197400000000, 0.0000000000000000, 0.0000271900000000 ] - [ -0.0005088900000000, -0.0000273800000000, -0.0003837700000000 ] - [ 0.0001255100000000, 0.0000000000000000, 0.0001948300000000 ] - [ 0.0000306900000000, 0.0000392400000000, 0.0002569100000000 ] - [ -0.0005088900000000, 0.0000273800000000, -0.0003837700000000 ] - [ -0.0002657400000000, 0.0000000000000000, -0.0001130800000000 ] - [ -0.0000241100000000, 0.0001519200000000, 0.0003652000000000 ] - [ 0.0003890000000000, 0.0000000000000000, 0.0002093400000000 ] - [ 0.0000118100000000, 0.0000000000000000, -0.0000568100000000 ] - [ -0.0002149800000000, 0.0000000000000000, 0.0007413800000000 ] - [ -0.0000383700000000, 0.0001873500000000, 0.0005131700000000 ] - [ -0.0000241100000000, -0.0001519200000000, 0.0003652000000000 ] - [ -0.0000844300000000, 0.0000000000000000, 0.0005601400000000 ] - [ -0.0000383700000000, -0.0001873500000000, 0.0005131700000000 ] - [ -0.0002767900000000, 0.0000000000000000, 0.0007390200000000 ] - [ 0.0003443600000000, 0.0000000000000000, 0.0001525200000000 ] - [ -0.0004216900000000, 0.0001913800000000, 0.0001602500000000 ] - [ 0.0002548200000000, -0.0000003600000000, 0.0008732100000000 ] - [ -0.0023238700000000, 0.0003280800000000, 0.0008677200000000 ] - [ -0.0052855900000000, 0.0000000000000000, -0.0010967900000000 ] - [ 0.0023056000000000, 0.0000579500000000, 0.0001842800000000 ] - [ 0.0020101300000000, 0.0000000000000000, -0.0001500800000000 ] - [ 0.0569192800000000, 0.0671907100000000, 0.0224769000000000 ] - [ 0.0088541500000000, 0.0000000000000000, 0.0044729900000000 ] - [ 0.0010131900000000, 0.0000000000000000, 0.0028359500000000 ] - [ -0.0029248300000000, -0.0019086200000000, 0.0068119700000000 ] - [ -0.0020870200000000, 0.0000000000000000, -0.0075935400000000 ] - [ 0.0569192800000000, -0.0671907100000000, 0.0224769000000000 ] - [ -0.0094549400000000, 0.0000000000000000, -0.0008626900000000 ] - [ -0.0029248300000000, 0.0019086200000000, 0.0068119700000000 ] - [ -0.0004101800000000, 0.0001411300000000, -0.0017860400000000 ] - [ -0.0003288600000000, 0.0000000000000000, -0.0081790500000000 ] - [ -0.0097461100000000, 0.0000000000000000, -0.0015605000000000 ] - [ -0.0004101800000000, -0.0001411300000000, -0.0017860400000000 ] - [ 0.0048561400000000, 0.0014662000000000, 0.0053603100000000 ] - [ 0.0001488900000000, 0.0000000000000000, 0.0006409300000000 ] - [ 0.0012837800000000, 0.0000000000000000, 0.0005891800000000 ] - [ -0.0044705900000000, -0.0006516300000000, -0.0021842600000000 ] - [ 0.0000306900000000, -0.0000392400000000, 0.0002569100000000 ] - [ -0.0001844600000000, 0.0000000000000000, -0.0005892500000000 ] - [ -0.0011800400000000, 0.0000000000000000, -0.0004459300000000 ] - [ 0.0003407100000000, -0.0000011200000000, -0.0005013100000000 ] - [ 0.0000919200000000, 0.0000000000000000, 0.0002026300000000 ] - [ -0.0000781100000000, 0.0000441700000000, 0.0001271200000000 ] - [ 0.0003407100000000, 0.0000011200000000, -0.0005013100000000 ] - [ -0.0001220100000000, 0.0000000000000000, -0.0001857100000000 ] - [ 0.0000631700000000, 0.0001691400000000, 0.0001295600000000 ] - [ 0.0004199100000000, 0.0000000000000000, 0.0001679800000000 ] - [ 0.0001188000000000, 0.0000000000000000, -0.0001287100000000 ] - [ 0.0002744600000000, 0.0000000000000000, 0.0000613800000000 ] - [ 0.0000283900000000, 0.0001809000000000, 0.0004834000000000 ] - [ 0.0000631700000000, -0.0001691400000000, 0.0001295600000000 ] - [ 0.0002188500000000, 0.0000000000000000, 0.0006129800000000 ] - [ 0.0000283900000000, -0.0001809000000000, 0.0004834000000000 ] - [ 0.0003706800000000, 0.0000000000000000, 0.0000693900000000 ] - [ 0.0000545500000000, 0.0000000000000000, 0.0000305400000000 ] - [ 0.0002548200000000, 0.0000003600000000, 0.0008732100000000 ] - [ -0.0004216900000000, -0.0001913800000000, 0.0001602500000000 ]- atom: 4 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0021383800000000, 0.0000000000000000, -0.0011380000000000 ] - [ 0.0044032600000000, 0.0000000000000000, -0.0114830300000000 ] - [ 0.0056922000000000, -0.0011311700000000, 0.0058091500000000 ] - [ 0.2908593000000000, 0.0000000000000000, 0.0166691400000000 ] - [ -0.0058257000000000, 0.0000554200000000, -0.0025552700000000 ] - [ -0.0128553500000000, -0.0150819500000000, 0.0180102500000000 ] - [ -0.0269905500000000, 0.0000000000000000, -0.0099484300000000 ] - [ -0.0128553500000000, 0.0150819500000000, 0.0180102500000000 ] - [ 0.0054464900000000, 0.0000000000000000, -0.0095463900000000 ] - [ -0.0040901300000000, 0.0000000000000000, -0.0034893000000000 ] - [ -0.0009691600000000, -0.0000750600000000, -0.0008722100000000 ] - [ 0.0000055500000000, 0.0000000000000000, -0.0001008200000000 ] - [ 0.0126925300000000, 0.0000000000000000, -0.0008889700000000 ] - [ 0.0002772900000000, 0.0000000000000000, -0.0001944200000000 ] - [ -0.0009691600000000, 0.0000750600000000, -0.0008722100000000 ] - [ 0.0015761200000000, 0.0000000000000000, -0.0012957700000000 ] - [ -0.0000170700000000, 0.0000490400000000, 0.0000816700000000 ] - [ -0.0001152700000000, 0.0000000000000000, 0.0006663300000000 ] - [ 0.0003331900000000, 0.0001115800000000, 0.0004171900000000 ] - [ 0.0001075800000000, 0.0000000000000000, 0.0006801400000000 ] - [ -0.0000170700000000, -0.0000490400000000, 0.0000816700000000 ] - [ -0.0005640100000000, -0.0000906600000000, 0.0006775000000000 ] - [ 0.0002377600000000, 0.0000000000000000, 0.0004578000000000 ] - [ 0.0001554000000000, 0.0000000000000000, 0.0013507400000000 ] - [ -0.0009942900000000, 0.0000000000000000, 0.0020105700000000 ] - [ -0.0058598600000000, 0.0000000000000000, 0.0043154400000000 ] - [ -0.0058257000000000, -0.0000554200000000, -0.0025552700000000 ] - [ -0.0121681900000000, 0.0000000000000000, -0.0008736900000000 ] - [ 0.0056922000000000, 0.0011311700000000, 0.0058091500000000 ] - [ -0.0142929400000000, -0.0069115700000000, -0.0132457600000000 ] - [ -0.0071053200000000, 0.0000000000000000, 0.0119886300000000 ] - [ -0.0142929400000000, 0.0069115700000000, -0.0132457600000000 ] - [ -0.0215545000000000, 0.0000000000000000, 0.0114263700000000 ] - [ 0.0006545700000000, 0.0000000000000000, 0.0030693400000000 ] - [ 0.0009576700000000, 0.0001607000000000, 0.0004139500000000 ] - [ 0.0000772700000000, 0.0000000000000000, -0.0002044500000000 ] - [ -0.0058769300000000, 0.0000000000000000, 0.0003399100000000 ] - [ -0.0002679100000000, 0.0000000000000000, -0.0003161300000000 ] - [ 0.0009576700000000, -0.0001607000000000, 0.0004139500000000 ] - [ -0.0007897800000000, 0.0000000000000000, 0.0007719900000000 ] - [ 0.0001372000000000, 0.0000483200000000, 0.0000446100000000 ] - [ -0.0001301400000000, 0.0000000000000000, -0.0000282700000000 ] - [ -0.0005640100000000, 0.0000906600000000, 0.0006775000000000 ] - [ 0.0002991800000000, 0.0000000000000000, 0.0005510900000000 ] - [ 0.0001372000000000, -0.0000483200000000, 0.0000446100000000 ] - [ 0.0003331900000000, -0.0001115800000000, 0.0004171900000000 ] - [ 0.0001591500000000, 0.0000000000000000, 0.0004302400000000 ] - [ -0.0000939700000000, 0.0000000000000000, -0.0013888400000000 ] - [ -0.0013888100000000, 0.0000000000000000, 0.0025401700000000 ] - [ 0.0000393300000000, 0.0000000000000000, -0.0000995200000000 ] - [ 0.0001527800000000, 0.0000000000000000, 0.0006573200000000 ] - [ -0.0002398600000000, 0.0000000000000000, 0.0000106400000000 ] - [ 0.0013586800000000, 0.0000000000000000, -0.0029276500000000 ] - [ 0.0000228200000000, 0.0000000000000000, 0.0002263800000000 ] - [ 0.0001182700000000, 0.0000000000000000, 0.0004646700000000 ] - [ 0.0002660700000000, 0.0000000000000000, -0.0004317100000000 ] - [ -0.0023522500000000, 0.0001089900000000, -0.0000009500000000 ] - [ -0.0232314900000000, 0.0000000000000000, -0.0037373600000000 ] - [ 0.0023142100000000, 0.0002511000000000, -0.0006403900000000 ] - [ 0.0006201300000000, 0.0000000000000000, 0.0016808000000000 ] - [ 0.0110127800000000, 0.0044782700000000, 0.0007218700000000 ] - [ 0.0063981200000000, 0.0000000000000000, -0.0000791300000000 ] - [ 0.0010441800000000, 0.0000000000000000, 0.0025064500000000 ] - [ 0.0035319800000000, 0.0024184800000000, 0.0074085100000000 ] - [ 0.0060800400000000, 0.0000000000000000, -0.0101517200000000 ] - [ 0.0110127800000000, -0.0044782700000000, 0.0007218700000000 ] - [ -0.1067382700000000, 0.0000000000000000, 0.0215578600000000 ] - [ 0.0035319800000000, -0.0024184800000000, 0.0074085100000000 ] - [ 0.0000211600000000, -0.0001161500000000, -0.0015671700000000 ] - [ 0.0026840900000000, 0.0000000000000000, -0.0029204400000000 ] - [ -0.0004114000000000, 0.0000000000000000, -0.0015667000000000 ] - [ 0.0000211600000000, 0.0001161500000000, -0.0015671700000000 ] - [ 0.0043681700000000, -0.0009389700000000, 0.0022096400000000 ] - [ 0.0002385300000000, 0.0000000000000000, 0.0005485200000000 ] - [ 0.0012603600000000, 0.0000000000000000, -0.0002422100000000 ] - [ -0.0049868400000000, 0.0017574200000000, -0.0053179100000000 ] - [ 0.0000366200000000, -0.0000425900000000, 0.0001751400000000 ] - [ -0.0001588200000000, 0.0000000000000000, -0.0005711200000000 ] - [ -0.0015765600000000, 0.0000000000000000, -0.0004647200000000 ] - [ 0.0003297900000000, -0.0000338600000000, -0.0006328000000000 ] - [ 0.0000925600000000, 0.0000000000000000, 0.0001159900000000 ] - [ -0.0000726600000000, 0.0000477600000000, 0.0000457300000000 ] - [ 0.0003297900000000, 0.0000338600000000, -0.0006328000000000 ] - [ -0.0001222800000000, 0.0000000000000000, -0.0002832200000000 ] - [ 0.0000657700000000, 0.0001738600000000, 0.0000385900000000 ] - [ 0.0004251800000000, 0.0000000000000000, 0.0000824800000000 ] - [ 0.0001161200000000, 0.0000000000000000, -0.0002129400000000 ] - [ 0.0001300300000000, 0.0000000000000000, 0.0000048400000000 ] - [ 0.0000268500000000, 0.0001852700000000, 0.0003983400000000 ] - [ 0.0000657700000000, -0.0001738600000000, 0.0000385900000000 ] - [ 0.0002180900000000, 0.0000000000000000, 0.0005482300000000 ] - [ 0.0000268500000000, -0.0001852700000000, 0.0003983400000000 ] - [ 0.0003930400000000, 0.0000000000000000, -0.0000612100000000 ] - [ 0.0000593000000000, 0.0000000000000000, -0.0000737100000000 ] - [ 0.0002816500000000, 0.0000565300000000, 0.0008073700000000 ] - [ -0.0003916900000000, -0.0002482800000000, 0.0000894500000000 ] - [ 0.0023142100000000, -0.0002511000000000, -0.0006403900000000 ] - [ 0.0050843700000000, 0.0000000000000000, 0.0005793300000000 ] - [ -0.0023522500000000, -0.0001089900000000, -0.0000009500000000 ] - [ -0.0026574000000000, 0.0000000000000000, -0.0008888100000000 ] - [ -0.0564643600000000, -0.0650396000000000, -0.0223758700000000 ] - [ -0.0092295600000000, 0.0000000000000000, -0.0044826500000000 ] - [ -0.0014320500000000, 0.0000000000000000, -0.0029569000000000 ] - [ 0.0027845300000000, 0.0018886500000000, -0.0071143900000000 ] - [ 0.0012139500000000, 0.0000000000000000, 0.0068948700000000 ] - [ -0.0564643600000000, 0.0650396000000000, -0.0223758700000000 ] - [ 0.0093512500000000, 0.0000000000000000, 0.0003925500000000 ] - [ 0.0027845300000000, -0.0018886500000000, -0.0071143900000000 ] - [ 0.0003650400000000, -0.0000554600000000, 0.0016700100000000 ] - [ 0.0007626500000000, 0.0000000000000000, 0.0079962700000000 ] - [ 0.0102662500000000, 0.0000000000000000, 0.0017189600000000 ] - [ 0.0003650400000000, 0.0000554600000000, 0.0016700100000000 ] - [ -0.0049868400000000, -0.0017574200000000, -0.0053179100000000 ] - [ -0.0002533000000000, 0.0000000000000000, -0.0005130200000000 ] - [ -0.0016492400000000, 0.0000000000000000, -0.0012709400000000 ] - [ 0.0043681700000000, 0.0009389700000000, 0.0022096400000000 ] - [ -0.0000726600000000, -0.0000477600000000, 0.0000457300000000 ] - [ 0.0004507300000000, 0.0000000000000000, 0.0001035600000000 ] - [ 0.0015194400000000, 0.0000000000000000, 0.0000016600000000 ] - [ -0.0005182900000000, -0.0000602800000000, -0.0005141000000000 ] - [ 0.0001265900000000, 0.0000000000000000, 0.0001082300000000 ] - [ 0.0000366200000000, 0.0000425900000000, 0.0001751400000000 ] - [ -0.0005182900000000, 0.0000602800000000, -0.0005141000000000 ] - [ -0.0002652600000000, 0.0000000000000000, -0.0002107100000000 ] - [ -0.0000237500000000, 0.0001564200000000, 0.0002732300000000 ] - [ 0.0003937400000000, 0.0000000000000000, 0.0001240200000000 ] - [ 0.0000094100000000, 0.0000000000000000, -0.0001412700000000 ] - [ -0.0003680100000000, 0.0000000000000000, 0.0006771300000000 ] - [ -0.0000399800000000, 0.0001917500000000, 0.0004276900000000 ] - [ -0.0000237500000000, -0.0001564200000000, 0.0002732300000000 ] - [ -0.0000858300000000, 0.0000000000000000, 0.0004933800000000 ] - [ -0.0000399800000000, -0.0001917500000000, 0.0004276900000000 ] - [ -0.0002594400000000, 0.0000000000000000, 0.0006057400000000 ] - [ 0.0003489300000000, 0.0000000000000000, 0.0000502700000000 ] - [ -0.0003916900000000, 0.0002482800000000, 0.0000894500000000 ] - [ 0.0002816500000000, -0.0000565300000000, 0.0008073700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001417500000000, -0.0003898300000000, 0.0002893100000000 ] - [ -0.0000246800000000, -0.0011471700000000, -0.0003591500000000 ] - [ 0.0016909600000000, 0.0005739600000000, 0.0067315700000000 ] - [ -0.0048673300000000, -0.2867593900000000, -0.0025339800000000 ] - [ 0.0004901400000000, 0.0000441500000000, 0.0003563500000000 ] - [ 0.0067710600000000, 0.0003230700000000, -0.0007170900000000 ] - [ -0.0000645600000000, -0.0001574500000000, 0.0001050700000000 ] - [ -0.0068525800000000, 0.0001618400000000, 0.0007770400000000 ] - [ -0.0002044400000000, 0.0153382200000000, -0.0000142200000000 ] - [ -0.0000054000000000, 0.0003320900000000, -0.0000284600000000 ] - [ 0.0000329300000000, -0.0000756300000000, -0.0004029100000000 ] - [ 0.0000465700000000, 0.0000025900000000, -0.0002098200000000 ] - [ 0.0003120800000000, -0.0058061600000000, -0.0001474700000000 ] - [ 0.0000286300000000, 0.0000201900000000, -0.0003304700000000 ] - [ 0.0001611200000000, 0.0000737300000000, -0.0003402400000000 ] - [ 0.0003567400000000, 0.0001001900000000, -0.0001669500000000 ] - [ 0.0000568200000000, 0.0000423900000000, 0.0000004700000000 ] - [ -0.0001208500000000, 0.0000293100000000, 0.0002942900000000 ] - [ -0.0000915600000000, 0.0001168300000000, 0.0005128600000000 ] - [ 0.0002069800000000, 0.0000041500000000, 0.0005454900000000 ] - [ 0.0000599900000000, -0.0000421400000000, 0.0000045700000000 ] - [ -0.0001207900000000, -0.0001185900000000, 0.0004416700000000 ] - [ 0.0001971400000000, -0.0000018600000000, 0.0003788900000000 ] - [ 0.0000314000000000, -0.0000552500000000, -0.0001300400000000 ] - [ 0.0001394600000000, -0.0007438600000000, 0.0002962400000000 ] - [ -0.0000570400000000, 0.0034966500000000, -0.0003863700000000 ] - [ -0.0003392600000000, 0.0001283500000000, -0.0004316800000000 ] - [ -0.0001378000000000, -0.0009472400000000, -0.0003495500000000 ] - [ -0.0015093000000000, 0.0003513000000000, -0.0068487200000000 ] - [ 0.0158983500000000, 0.0013893600000000, 0.0120336300000000 ] - [ 0.0000718900000000, 0.0438740600000000, 0.0001359600000000 ] - [ -0.0159349400000000, 0.0013372300000000, -0.0120476900000000 ] - [ -0.0001321200000000, -0.0075423800000000, 0.0000792000000000 ] - [ -0.0000003800000000, 0.0029763500000000, -0.0000149300000000 ] - [ -0.0000626800000000, -0.0000728900000000, -0.0005971600000000 ] - [ 0.0000466800000000, 0.0000028200000000, -0.0002100000000000 ] - [ 0.0002918300000000, -0.0001039000000000, -0.0001146000000000 ] - [ 0.0000279800000000, 0.0000293400000000, -0.0003308000000000 ] - [ 0.0002608500000000, 0.0000754500000000, -0.0001421500000000 ] - [ 0.0003536000000000, 0.0002814900000000, -0.0001643200000000 ] - [ 0.0000572500000000, 0.0000426000000000, 0.0000010300000000 ] - [ -0.0001211200000000, 0.0000199100000000, 0.0002932900000000 ] - [ -0.0000970500000000, 0.0001174000000000, 0.0005061300000000 ] - [ 0.0002070900000000, 0.0000056700000000, 0.0005453800000000 ] - [ 0.0000598800000000, -0.0000419000000000, 0.0000040400000000 ] - [ -0.0001252600000000, -0.0001182600000000, 0.0004345800000000 ] - [ 0.0001970500000000, -0.0000007400000000, 0.0003789700000000 ] - [ 0.0000317800000000, 0.0000248500000000, -0.0001277100000000 ] - [ -0.0000867500000000, -0.0004296900000000, -0.0002137000000000 ] - [ 0.0000288800000000, -0.0000062200000000, 0.0000158900000000 ] - [ 0.0001318200000000, -0.0000086200000000, 0.0005113500000000 ] - [ -0.0000111700000000, -0.0000317300000000, -0.0002613500000000 ] - [ -0.0000818300000000, -0.0000034000000000, -0.0002152800000000 ] - [ 0.0000288500000000, -0.0000055600000000, 0.0000162700000000 ] - [ 0.0001317600000000, -0.0000079800000000, 0.0005114500000000 ] - [ -0.0000104600000000, -0.0000123100000000, -0.0002618000000000 ] - [ 0.0009348300000000, 0.0007219800000000, 0.0013006900000000 ] - [ -0.0000842000000000, 0.0190898100000000, -0.0000732000000000 ] - [ 0.0006050800000000, 0.0001247300000000, -0.0005264000000000 ] - [ -0.0003419800000000, -0.0003304300000000, -0.0005105700000000 ] - [ 0.0010271400000000, 0.0003695300000000, 0.0001099000000000 ] - [ -0.0001910100000000, 0.0005863300000000, 0.0000092400000000 ] - [ -0.0002186900000000, 0.0003495300000000, -0.0000609600000000 ] - [ -0.0017058000000000, 0.0003146500000000, -0.0010503900000000 ] - [ -0.0004616300000000, 0.0001407800000000, -0.0003558100000000 ] - [ -0.0012713000000000, 0.0006302500000000, -0.0007764600000000 ] - [ 0.0001920500000000, 0.0187688700000000, -0.0002992000000000 ] - [ 0.0015461900000000, 0.0003382300000000, 0.0007282400000000 ] - [ 0.0002743700000000, -0.0000870100000000, -0.0006358000000000 ] - [ 0.0002093000000000, -0.0003565100000000, -0.0000990700000000 ] - [ 0.0003613700000000, -0.0088348300000000, 0.0000605600000000 ] - [ -0.0003221900000000, -0.0001720300000000, 0.0005160900000000 ] - [ -0.0001525000000000, -0.0001869600000000, 0.0000427300000000 ] - [ -0.0000516800000000, -0.0000318300000000, 0.0000648400000000 ] - [ -0.0001811900000000, 0.0000040200000000, -0.0003416600000000 ] - [ -0.0019602000000000, -0.0007867100000000, 0.0030069900000000 ] - [ -0.0000184300000000, -0.0000446800000000, 0.0001456400000000 ] - [ 0.0001321300000000, 0.0000353400000000, -0.0002426000000000 ] - [ 0.0001682800000000, 0.0003250200000000, -0.0002208100000000 ] - [ -0.0000469400000000, -0.0000404700000000, -0.0005539000000000 ] - [ 0.0001091600000000, -0.0000000500000000, 0.0001562800000000 ] - [ -0.0000221700000000, 0.0000432700000000, 0.0001555600000000 ] - [ -0.0001298700000000, 0.0000215500000000, -0.0004611800000000 ] - [ -0.0001932200000000, -0.0000037700000000, -0.0001981100000000 ] - [ 0.0000175100000000, 0.0001612800000000, 0.0002098900000000 ] - [ 0.0004068700000000, -0.0000001400000000, 0.0001463600000000 ] - [ 0.0000641000000000, 0.0000015800000000, -0.0001343300000000 ] - [ -0.0000432300000000, 0.0000561300000000, 0.0003714400000000 ] - [ -0.0000058900000000, 0.0001861500000000, 0.0004563000000000 ] - [ 0.0000229100000000, -0.0001637200000000, 0.0001940600000000 ] - [ 0.0000669900000000, 0.0000008600000000, 0.0005538200000000 ] - [ -0.0000054500000000, -0.0001862000000000, 0.0004558100000000 ] - [ 0.0000564300000000, -0.0000251100000000, 0.0003399300000000 ] - [ 0.0002016500000000, -0.0000059000000000, 0.0000406000000000 ] - [ -0.0000986200000000, 0.0001208200000000, 0.0005039400000000 ] - [ -0.0000635700000000, -0.0001323500000000, 0.0004417500000000 ] - [ -0.0006194300000000, 0.0001997700000000, 0.0007454900000000 ] - [ -0.0000992100000000, -0.0005896900000000, -0.0002640600000000 ] - [ -0.0009519200000000, 0.0006851300000000, -0.0010873300000000 ] - [ -0.0003268800000000, 0.0005513800000000, -0.0005262100000000 ] - [ 0.0612909300000000, 0.1111874400000000, 0.0294484100000000 ] - [ -0.0002270300000000, -0.0105578600000000, 0.0000782800000000 ] - [ -0.0002285700000000, -0.0006735200000000, -0.0000521600000000 ] - [ -0.0036040800000000, -0.0016408900000000, 0.0058073700000000 ] - [ -0.0004566900000000, -0.0075361700000000, -0.0003479000000000 ] - [ -0.0572364300000000, 0.1062974100000000, -0.0280672900000000 ] - [ -0.0000262300000000, -0.0071535900000000, -0.0002351200000000 ] - [ 0.0034094300000000, -0.0016815500000000, -0.0061358300000000 ] - [ -0.0000908100000000, 0.0000463300000000, -0.0002429200000000 ] - [ 0.0001987800000000, 0.0043796500000000, -0.0000826500000000 ] - [ 0.0002748800000000, 0.0102555800000000, 0.0001072100000000 ] - [ 0.0000421900000000, -0.0000380800000000, 0.0001317400000000 ] - [ 0.0018495300000000, -0.0010555200000000, -0.0029810000000000 ] - [ -0.0000521100000000, -0.0000839100000000, 0.0000633500000000 ] - [ -0.0001834800000000, -0.0004243300000000, -0.0003433700000000 ] - [ 0.0000563300000000, 0.0001127700000000, 0.0000040700000000 ] - [ -0.0000204300000000, -0.0000448000000000, 0.0001466000000000 ] - [ 0.0001328700000000, 0.0000101600000000, -0.0002416900000000 ] - [ 0.0001730200000000, -0.0000241000000000, -0.0002197800000000 ] - [ -0.0000925100000000, -0.0000365400000000, -0.0005431200000000 ] - [ 0.0001092200000000, -0.0000005200000000, 0.0001563200000000 ] - [ -0.0000235100000000, 0.0000430700000000, 0.0001569900000000 ] - [ -0.0000864200000000, 0.0000259000000000, -0.0004722100000000 ] - [ -0.0001931100000000, -0.0000031100000000, -0.0001981900000000 ] - [ 0.0000194600000000, 0.0001618800000000, 0.0002132000000000 ] - [ 0.0004067900000000, -0.0000005700000000, 0.0001464500000000 ] - [ 0.0000640000000000, 0.0000011200000000, -0.0001343600000000 ] - [ -0.0000446800000000, 0.0001206600000000, 0.0003724400000000 ] - [ -0.0000058000000000, 0.0001861500000000, 0.0004565300000000 ] - [ 0.0000208100000000, -0.0001631700000000, 0.0001908700000000 ] - [ 0.0000667700000000, 0.0000031100000000, 0.0005538800000000 ] - [ -0.0000056700000000, -0.0001861900000000, 0.0004557300000000 ] - [ 0.0000567400000000, -0.0000460800000000, 0.0003397300000000 ] - [ 0.0002016900000000, -0.0000021100000000, 0.0000405700000000 ] - [ -0.0000753000000000, 0.0001145900000000, 0.0005245700000000 ] - [ -0.0000396600000000, -0.0001272000000000, 0.0004628000000000 ]- atom: 4 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0039670400000000, 0.0000000000000000, 0.0037417700000000 ] - [ 0.0226652000000000, 0.0000000000000000, 0.0140026800000000 ] - [ -0.0133608000000000, 0.0174149600000000, 0.0142026200000000 ] - [ -0.0606715800000000, 0.0000000000000000, -0.1946515400000000 ] - [ 0.0033015600000000, -0.0003313800000000, -0.0022560200000000 ] - [ -0.0090820800000000, -0.0029859400000000, -0.0045472600000000 ] - [ 0.0017433200000000, 0.0000000000000000, -0.0151002400000000 ] - [ -0.0090820800000000, 0.0029859400000000, -0.0045472600000000 ] - [ 0.0068367200000000, 0.0000000000000000, -0.0143912900000000 ] - [ 0.0043061000000000, 0.0000000000000000, 0.0032659000000000 ] - [ 0.0006792400000000, 0.0000957400000000, 0.0021519600000000 ] - [ -0.0002553600000000, 0.0000000000000000, 0.0028025300000000 ] - [ -0.0009816400000000, 0.0000000000000000, 0.0182512400000000 ] - [ 0.0000090700000000, 0.0000000000000000, 0.0037048700000000 ] - [ 0.0006792400000000, -0.0000957400000000, 0.0021519600000000 ] - [ 0.0007589400000000, 0.0000000000000000, 0.0032453500000000 ] - [ 0.0001601000000000, 0.0002831700000000, 0.0029777700000000 ] - [ -0.0006741900000000, 0.0000000000000000, 0.0036919500000000 ] - [ -0.0001172900000000, 0.0002482400000000, 0.0041585200000000 ] - [ 0.0001361100000000, 0.0000000000000000, 0.0040418500000000 ] - [ 0.0001601000000000, -0.0002831700000000, 0.0029777700000000 ] - [ -0.0002321600000000, -0.0002095500000000, 0.0030370500000000 ] - [ 0.0001652900000000, 0.0000000000000000, 0.0036953000000000 ] - [ -0.0012302400000000, 0.0000000000000000, 0.0031247400000000 ] - [ -0.0037988400000000, 0.0000000000000000, 0.0018407600000000 ] - [ -0.0024825400000000, 0.0000000000000000, -0.0022092700000000 ] - [ 0.0033015600000000, 0.0003313800000000, -0.0022560200000000 ] - [ 0.0021186400000000, 0.0000000000000000, -0.0089986300000000 ] - [ -0.0133608000000000, -0.0174149600000000, 0.0142026200000000 ] - [ 0.0118201300000000, 0.0057469900000000, 0.0001446700000000 ] - [ -0.0013612200000000, 0.0000000000000000, -0.0248093200000000 ] - [ 0.0118201300000000, -0.0057469900000000, 0.0001446700000000 ] - [ -0.0040923000000000, 0.0000000000000000, -0.0147701800000000 ] - [ -0.0033252200000000, 0.0000000000000000, 0.0044135700000000 ] - [ -0.0002106400000000, 0.0000271300000000, 0.0032383900000000 ] - [ -0.0002271700000000, 0.0000000000000000, 0.0028135600000000 ] - [ 0.0008679200000000, 0.0000000000000000, 0.0001794900000000 ] - [ 0.0000535300000000, 0.0000000000000000, 0.0034152500000000 ] - [ -0.0002106400000000, -0.0000271300000000, 0.0032383900000000 ] - [ -0.0004642600000000, 0.0000000000000000, 0.0025283700000000 ] - [ 0.0002408300000000, 0.0002991200000000, 0.0030627800000000 ] - [ 0.0006918600000000, 0.0000000000000000, 0.0031622300000000 ] - [ -0.0002321600000000, 0.0002095500000000, 0.0030370500000000 ] - [ 0.0002713700000000, 0.0000000000000000, 0.0042461700000000 ] - [ 0.0002408300000000, -0.0002991200000000, 0.0030627800000000 ] - [ -0.0001172900000000, -0.0002482400000000, 0.0041585200000000 ] - [ 0.0002331400000000, 0.0000000000000000, 0.0034950800000000 ] - [ 0.0013067500000000, 0.0000000000000000, 0.0023359000000000 ] - [ -0.0014767500000000, 0.0000000000000000, 0.0008751000000000 ] - [ 0.0000836800000000, 0.0000000000000000, 0.0023502000000000 ] - [ -0.0000342200000000, 0.0000000000000000, 0.0029838700000000 ] - [ -0.0001672400000000, 0.0000000000000000, 0.0021265000000000 ] - [ 0.0009440900000000, 0.0000000000000000, 0.0019772100000000 ] - [ -0.0000295500000000, 0.0000000000000000, 0.0024202200000000 ] - [ 0.0002991700000000, 0.0000000000000000, 0.0028934700000000 ] - [ 0.0001342900000000, 0.0000000000000000, 0.0022540800000000 ] - [ -0.0041260500000000, -0.0054522600000000, -0.0068018300000000 ] - [ 0.0069183400000000, 0.0000000000000000, 0.0705452900000000 ] - [ 0.0009854500000000, -0.0004467500000000, 0.0010752800000000 ] - [ -0.0027514600000000, 0.0000000000000000, -0.0000804600000000 ] - [ 0.0010611900000000, 0.0002865700000000, 0.0046728400000000 ] - [ -0.0022357000000000, 0.0000000000000000, 0.0047487000000000 ] - [ -0.0024413700000000, 0.0000000000000000, -0.0002055500000000 ] - [ -0.0073915000000000, -0.0020165500000000, 0.0047023000000000 ] - [ 0.0008493600000000, 0.0000000000000000, 0.0027474300000000 ] - [ 0.0010611900000000, -0.0002865700000000, 0.0046728400000000 ] - [ -0.0061303700000000, 0.0000000000000000, 0.0261915000000000 ] - [ -0.0073915000000000, 0.0020165500000000, 0.0047023000000000 ] - [ 0.0010679400000000, -0.0000498200000000, -0.0023857300000000 ] - [ 0.0023680600000000, 0.0000000000000000, 0.0016823600000000 ] - [ 0.0014643800000000, 0.0000000000000000, 0.0087531300000000 ] - [ 0.0010679400000000, 0.0000498200000000, -0.0023857300000000 ] - [ -0.0019928800000000, 0.0006299400000000, 0.0000727100000000 ] - [ -0.0002808200000000, 0.0000000000000000, -0.0019816000000000 ] - [ -0.0004074800000000, 0.0000000000000000, -0.0015864500000000 ] - [ 0.0042918700000000, 0.0038212400000000, -0.0037901900000000 ] - [ -0.0000222200000000, -0.0000422200000000, -0.0020488500000000 ] - [ 0.0003115900000000, 0.0000000000000000, -0.0026016200000000 ] - [ 0.0001180900000000, 0.0000000000000000, -0.0038138600000000 ] - [ 0.0000465000000000, -0.0000152500000000, -0.0025323700000000 ] - [ 0.0000734000000000, 0.0000000000000000, -0.0020781600000000 ] - [ -0.0000124200000000, 0.0000405800000000, -0.0021277300000000 ] - [ 0.0000465000000000, 0.0000152500000000, -0.0025323700000000 ] - [ -0.0001563000000000, 0.0000000000000000, -0.0023840000000000 ] - [ 0.0001972200000000, 0.0001465700000000, -0.0018982700000000 ] - [ 0.0005670900000000, 0.0000000000000000, -0.0020059700000000 ] - [ 0.0001051100000000, 0.0000000000000000, -0.0022758200000000 ] - [ 0.0007826200000000, 0.0000000000000000, -0.0020450200000000 ] - [ -0.0000358800000000, 0.0002790800000000, -0.0016633500000000 ] - [ 0.0001972200000000, -0.0001465700000000, -0.0018982700000000 ] - [ 0.0001373400000000, 0.0000000000000000, -0.0014811400000000 ] - [ -0.0000358800000000, -0.0002790800000000, -0.0016633500000000 ] - [ 0.0007931200000000, 0.0000000000000000, -0.0011348300000000 ] - [ 0.0002303500000000, 0.0000000000000000, -0.0025866000000000 ] - [ -0.0005786400000000, 0.0004108600000000, -0.0009277000000000 ] - [ 0.0000737500000000, -0.0004568300000000, -0.0017083700000000 ] - [ 0.0009854500000000, 0.0004467500000000, 0.0010752800000000 ] - [ -0.0007776000000000, 0.0000000000000000, 0.0046548200000000 ] - [ -0.0041260500000000, 0.0054522600000000, -0.0068018300000000 ] - [ 0.0082744000000000, 0.0000000000000000, -0.0072539900000000 ] - [ 0.0300297000000000, 0.0386018300000000, 0.0355222600000000 ] - [ 0.0037212700000000, 0.0000000000000000, 0.0082933900000000 ] - [ 0.0021721300000000, 0.0000000000000000, -0.0003968600000000 ] - [ 0.0047092500000000, 0.0023197400000000, 0.0085135600000000 ] - [ -0.0025960200000000, 0.0000000000000000, 0.0005777200000000 ] - [ 0.0300297000000000, -0.0386018300000000, 0.0355222600000000 ] - [ -0.0057626400000000, 0.0000000000000000, 0.0046628500000000 ] - [ 0.0047092500000000, -0.0023197400000000, 0.0085135600000000 ] - [ -0.0008504500000000, 0.0003622400000000, -0.0022674300000000 ] - [ -0.0064512500000000, 0.0000000000000000, -0.0044789500000000 ] - [ -0.0053168500000000, 0.0000000000000000, 0.0066861500000000 ] - [ -0.0008504500000000, -0.0003622400000000, -0.0022674300000000 ] - [ 0.0042918700000000, -0.0038212400000000, -0.0037901900000000 ] - [ 0.0001133700000000, 0.0000000000000000, -0.0021935900000000 ] - [ -0.0002683000000000, 0.0000000000000000, -0.0032182900000000 ] - [ -0.0019928800000000, -0.0006299400000000, 0.0000727100000000 ] - [ -0.0000124200000000, -0.0000405800000000, -0.0021277300000000 ] - [ -0.0000194300000000, 0.0000000000000000, -0.0023491500000000 ] - [ 0.0001297400000000, 0.0000000000000000, -0.0017863800000000 ] - [ -0.0002210400000000, 0.0000015100000000, -0.0029399900000000 ] - [ 0.0001427900000000, 0.0000000000000000, -0.0020408300000000 ] - [ -0.0000222200000000, 0.0000422200000000, -0.0020488500000000 ] - [ -0.0002210400000000, -0.0000015100000000, -0.0029399900000000 ] - [ -0.0002390300000000, 0.0000000000000000, -0.0024834400000000 ] - [ -0.0001913100000000, 0.0001193800000000, -0.0020972500000000 ] - [ 0.0004677400000000, 0.0000000000000000, -0.0020400900000000 ] - [ 0.0000200100000000, 0.0000000000000000, -0.0023426400000000 ] - [ -0.0008496500000000, 0.0000000000000000, -0.0033892200000000 ] - [ -0.0000810300000000, 0.0002834600000000, -0.0017634100000000 ] - [ -0.0001913100000000, -0.0001193800000000, -0.0020972500000000 ] - [ 0.0000697700000000, 0.0000000000000000, -0.0018098700000000 ] - [ -0.0000810300000000, -0.0002834600000000, -0.0017634100000000 ] - [ 0.0000447300000000, 0.0000000000000000, -0.0017918900000000 ] - [ 0.0001729800000000, 0.0000000000000000, -0.0022097400000000 ] - [ 0.0000737500000000, 0.0004568300000000, -0.0017083700000000 ] - [ -0.0005786400000000, -0.0004108600000000, -0.0009277000000000 ]- atom: 4 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0036826500000000, 0.0000000000000000, -0.0031479100000000 ] - [ -0.0228460100000000, 0.0000000000000000, -0.0149273100000000 ] - [ 0.0135626100000000, -0.0173848100000000, -0.0143886300000000 ] - [ 0.0597314300000000, 0.0000000000000000, 0.2017678200000000 ] - [ -0.0031568800000000, 0.0002530000000000, 0.0021895300000000 ] - [ 0.0090266400000000, 0.0030187000000000, 0.0043969200000000 ] - [ -0.0018977200000000, 0.0000000000000000, 0.0153506600000000 ] - [ 0.0090266400000000, -0.0030187000000000, 0.0043969200000000 ] - [ -0.0070024800000000, 0.0000000000000000, 0.0146216400000000 ] - [ -0.0042487100000000, 0.0000000000000000, -0.0033030600000000 ] - [ -0.0004771800000000, -0.0002434300000000, -0.0028903500000000 ] - [ 0.0003472200000000, 0.0000000000000000, -0.0032122200000000 ] - [ 0.0015640100000000, 0.0000000000000000, -0.0182467000000000 ] - [ 0.0000475200000000, 0.0000000000000000, -0.0043511300000000 ] - [ -0.0004771800000000, 0.0002434300000000, -0.0028903500000000 ] - [ -0.0000422400000000, 0.0000000000000000, -0.0035624400000000 ] - [ -0.0000429700000000, -0.0001980900000000, -0.0029633000000000 ] - [ 0.0004325700000000, 0.0000000000000000, -0.0030956900000000 ] - [ -0.0000997000000000, -0.0000134300000000, -0.0032021100000000 ] - [ 0.0002776700000000, 0.0000000000000000, -0.0029401000000000 ] - [ -0.0000429700000000, 0.0001980900000000, -0.0029633000000000 ] - [ 0.0000142600000000, -0.0000251800000000, -0.0020794700000000 ] - [ 0.0002291000000000, 0.0000000000000000, -0.0029274600000000 ] - [ 0.0012956500000000, 0.0000000000000000, -0.0033658600000000 ] - [ 0.0040942300000000, 0.0000000000000000, -0.0012384100000000 ] - [ 0.0023572600000000, 0.0000000000000000, 0.0014434500000000 ] - [ -0.0031568800000000, -0.0002530000000000, 0.0021895300000000 ] - [ -0.0023605300000000, 0.0000000000000000, 0.0083003800000000 ] - [ 0.0135626100000000, 0.0173848100000000, -0.0143886300000000 ] - [ -0.0117992200000000, -0.0056658800000000, -0.0002784500000000 ] - [ 0.0011167800000000, 0.0000000000000000, 0.0251067900000000 ] - [ -0.0117992200000000, 0.0056658800000000, -0.0002784500000000 ] - [ 0.0038183700000000, 0.0000000000000000, 0.0149628900000000 ] - [ 0.0032840600000000, 0.0000000000000000, -0.0044369500000000 ] - [ 0.0004036600000000, -0.0001756800000000, -0.0039629900000000 ] - [ 0.0003201600000000, 0.0000000000000000, -0.0032239800000000 ] - [ -0.0002653900000000, 0.0000000000000000, -0.0004284600000000 ] - [ 0.0000032700000000, 0.0000000000000000, -0.0040651800000000 ] - [ 0.0004036600000000, 0.0001756800000000, -0.0039629900000000 ] - [ 0.0011642700000000, 0.0000000000000000, -0.0028525400000000 ] - [ -0.0001233800000000, -0.0002139000000000, -0.0030476200000000 ] - [ -0.0009350200000000, 0.0000000000000000, -0.0025663200000000 ] - [ 0.0000142600000000, 0.0000251800000000, -0.0020794700000000 ] - [ 0.0001426000000000, 0.0000000000000000, -0.0031446500000000 ] - [ -0.0001233800000000, 0.0002139000000000, -0.0030476200000000 ] - [ -0.0000997000000000, 0.0000134300000000, -0.0032021100000000 ] - [ 0.0001607300000000, 0.0000000000000000, -0.0027268300000000 ] - [ -0.0012436800000000, 0.0000000000000000, -0.0025792400000000 ] - [ 0.0012920400000000, 0.0000000000000000, -0.0013065400000000 ] - [ -0.0000253200000000, 0.0000000000000000, -0.0023108100000000 ] - [ 0.0002981400000000, 0.0000000000000000, -0.0019530400000000 ] - [ 0.0001433300000000, 0.0000000000000000, -0.0026422600000000 ] - [ -0.0010994300000000, 0.0000000000000000, -0.0024042800000000 ] - [ 0.0000865100000000, 0.0000000000000000, -0.0023795800000000 ] - [ -0.0000356200000000, 0.0000000000000000, -0.0018625600000000 ] - [ -0.0001540900000000, 0.0000000000000000, -0.0027688000000000 ] - [ 0.0041025700000000, 0.0055163600000000, 0.0070169000000000 ] - [ -0.0073505900000000, 0.0000000000000000, -0.0774288100000000 ] - [ -0.0009989500000000, 0.0003744700000000, -0.0008666400000000 ] - [ 0.0020702500000000, 0.0000000000000000, -0.0009444100000000 ] - [ -0.0013522200000000, -0.0005316900000000, -0.0053389100000000 ] - [ 0.0018572400000000, 0.0000000000000000, -0.0047423200000000 ] - [ 0.0020064900000000, 0.0000000000000000, 0.0000713200000000 ] - [ 0.0072549000000000, 0.0020431200000000, -0.0050544900000000 ] - [ -0.0017466600000000, 0.0000000000000000, -0.0034320300000000 ] - [ -0.0013522200000000, 0.0005316900000000, -0.0053389100000000 ] - [ 0.0063162500000000, 0.0000000000000000, -0.0269222600000000 ] - [ 0.0072549000000000, -0.0020431200000000, -0.0050544900000000 ] - [ -0.0011031200000000, 0.0001340500000000, 0.0022598300000000 ] - [ -0.0019482100000000, 0.0000000000000000, -0.0018138700000000 ] - [ -0.0009182900000000, 0.0000000000000000, -0.0084785000000000 ] - [ -0.0011031200000000, -0.0001340500000000, 0.0022598300000000 ] - [ 0.0018728900000000, -0.0009139500000000, -0.0000051800000000 ] - [ 0.0001746200000000, 0.0000000000000000, 0.0021041700000000 ] - [ 0.0000403400000000, 0.0000000000000000, 0.0009056700000000 ] - [ -0.0043346300000000, -0.0034674300000000, 0.0038124400000000 ] - [ -0.0000191800000000, -0.0000442000000000, 0.0023451400000000 ] - [ -0.0000446200000000, 0.0000000000000000, 0.0021079600000000 ] - [ 0.0002228400000000, 0.0000000000000000, 0.0033554600000000 ] - [ -0.0002226100000000, -0.0000464100000000, 0.0015121800000000 ] - [ 0.0001449400000000, 0.0000000000000000, 0.0023822000000000 ] - [ -0.0000289900000000, 0.0000459300000000, 0.0024230000000000 ] - [ -0.0002226100000000, 0.0000464100000000, 0.0015121800000000 ] - [ -0.0002318400000000, 0.0000000000000000, 0.0019817300000000 ] - [ -0.0001568900000000, 0.0001787800000000, 0.0022959900000000 ] - [ 0.0002471900000000, 0.0000000000000000, 0.0022916600000000 ] - [ 0.0000233500000000, 0.0000000000000000, 0.0019994300000000 ] - [ -0.0008713800000000, 0.0000000000000000, 0.0027807800000000 ] - [ 0.0000243900000000, 0.0000938500000000, 0.0025682500000000 ] - [ -0.0001568900000000, -0.0001787800000000, 0.0022959900000000 ] - [ -0.0000035200000000, 0.0000000000000000, 0.0025827800000000 ] - [ 0.0000243900000000, -0.0000938500000000, 0.0025682500000000 ] - [ -0.0006779900000000, 0.0000000000000000, 0.0018056000000000 ] - [ 0.0001728400000000, 0.0000000000000000, 0.0026602200000000 ] - [ 0.0004399700000000, -0.0001616100000000, 0.0018871600000000 ] - [ -0.0002139000000000, 0.0002072700000000, 0.0026679800000000 ] - [ -0.0009989500000000, -0.0003744700000000, -0.0008666400000000 ] - [ 0.0005811200000000, 0.0000000000000000, -0.0051933000000000 ] - [ 0.0041025700000000, -0.0055163600000000, 0.0070169000000000 ] - [ -0.0089545900000000, 0.0000000000000000, 0.0062299100000000 ] - [ -0.0300358100000000, -0.0383292700000000, -0.0366267300000000 ] - [ -0.0041298400000000, 0.0000000000000000, -0.0083238200000000 ] - [ -0.0026168500000000, 0.0000000000000000, 0.0002561900000000 ] - [ -0.0048877600000000, -0.0023121200000000, -0.0088853800000000 ] - [ 0.0016773400000000, 0.0000000000000000, -0.0012637400000000 ] - [ -0.0300358100000000, 0.0383292700000000, -0.0366267300000000 ] - [ 0.0056769000000000, 0.0000000000000000, -0.0050951200000000 ] - [ -0.0048877600000000, 0.0023121200000000, -0.0088853800000000 ] - [ 0.0007916200000000, -0.0002714700000000, 0.0021457100000000 ] - [ 0.0067366500000000, 0.0000000000000000, 0.0042847600000000 ] - [ 0.0059271000000000, 0.0000000000000000, -0.0064088900000000 ] - [ 0.0007916200000000, 0.0002714700000000, 0.0021457100000000 ] - [ -0.0043346300000000, 0.0034674300000000, 0.0038124400000000 ] - [ -0.0002155300000000, 0.0000000000000000, 0.0023126300000000 ] - [ -0.0000999200000000, 0.0000000000000000, 0.0025182800000000 ] - [ 0.0018728900000000, 0.0009139500000000, -0.0000051800000000 ] - [ -0.0000289900000000, -0.0000459300000000, 0.0024230000000000 ] - [ 0.0002829200000000, 0.0000000000000000, 0.0018590800000000 ] - [ 0.0002129600000000, 0.0000000000000000, 0.0013530100000000 ] - [ 0.0000411700000000, -0.0000630500000000, 0.0019150400000000 ] - [ 0.0000755900000000, 0.0000000000000000, 0.0023456700000000 ] - [ -0.0000191800000000, 0.0000442000000000, 0.0023451400000000 ] - [ 0.0000411700000000, 0.0000630500000000, 0.0019150400000000 ] - [ -0.0001494000000000, 0.0000000000000000, 0.0020798300000000 ] - [ 0.0002318500000000, 0.0002059200000000, 0.0024951300000000 ] - [ 0.0003465200000000, 0.0000000000000000, 0.0023257000000000 ] - [ 0.0001075900000000, 0.0000000000000000, 0.0020657000000000 ] - [ 0.0007609600000000, 0.0000000000000000, 0.0041262100000000 ] - [ 0.0000690900000000, 0.0000894300000000, 0.0026684600000000 ] - [ 0.0002318500000000, -0.0002059200000000, 0.0024951300000000 ] - [ 0.0000636900000000, 0.0000000000000000, 0.0029117600000000 ] - [ 0.0000690900000000, -0.0000894300000000, 0.0026684600000000 ] - [ 0.0000704800000000, 0.0000000000000000, 0.0024643500000000 ] - [ 0.0002306400000000, 0.0000000000000000, 0.0022829600000000 ] - [ -0.0002139000000000, -0.0002072700000000, 0.0026679800000000 ] - [ 0.0004399700000000, 0.0001616100000000, 0.0018871600000000 ]- atom: 6 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0007120500000000, 0.0002507600000000, 0.0001320100000000 ] - [ -0.0018010800000000, -0.0011834300000000, -0.0020037900000000 ] - [ 0.0015571700000000, 0.0000250700000000, -0.0019194000000000 ] - [ 0.0126757800000000, 0.0068744500000000, -0.0114105000000000 ] - [ -0.0021849500000000, -0.0002635300000000, 0.0043214900000000 ] - [ -0.1416995200000000, 0.0361487200000000, -0.0010791900000000 ] - [ -0.0206044700000000, -0.0183598600000000, 0.0176974300000000 ] - [ -0.0316090200000000, 0.0005994200000000, 0.0150934900000000 ] - [ -0.0074005600000000, 0.0014508400000000, -0.0099154500000000 ] - [ 0.0064373200000000, -0.0017264900000000, -0.0028917800000000 ] - [ 0.0016802800000000, 0.0000443000000000, -0.0019532300000000 ] - [ -0.0001765000000000, -0.0000095600000000, 0.0001547800000000 ] - [ 0.0142766400000000, 0.0161990100000000, 0.0092201400000000 ] - [ -0.0002021600000000, -0.0000916600000000, 0.0006850400000000 ] - [ 0.0013881500000000, -0.0000481400000000, -0.0022211000000000 ] - [ 0.0036292800000000, -0.0002089300000000, 0.0007981400000000 ] - [ 0.0000166600000000, 0.0000380600000000, 0.0001477700000000 ] - [ 0.0000883300000000, -0.0000093100000000, 0.0004972900000000 ] - [ -0.0001258600000000, 0.0001027500000000, 0.0005895100000000 ] - [ 0.0001930600000000, -0.0000025700000000, 0.0008647600000000 ] - [ 0.0000048000000000, -0.0000381600000000, 0.0001315900000000 ] - [ -0.0001116000000000, -0.0001377600000000, 0.0009102300000000 ] - [ 0.0002745200000000, 0.0000019000000000, 0.0006123500000000 ] - [ 0.0003706800000000, 0.0000111000000000, -0.0000877900000000 ] - [ 0.0013308700000000, 0.0001144700000000, 0.0010285600000000 ] - [ 0.0031467500000000, -0.0002362400000000, 0.0006665100000000 ] - [ -0.0035670700000000, 0.0002821300000000, 0.0021508700000000 ] - [ 0.0141056900000000, 0.0158980900000000, 0.0094574700000000 ] - [ 0.0018869200000000, -0.0000367500000000, -0.0016392800000000 ] - [ 0.0074532000000000, 0.0004191000000000, -0.0013141500000000 ] - [ 0.0067541900000000, -0.0018899700000000, -0.0026800000000000 ] - [ 0.0122605500000000, -0.0003333700000000, 0.0005453100000000 ] - [ 0.0061509900000000, -0.0007290300000000, 0.0012404600000000 ] - [ -0.0206904400000000, -0.0170317300000000, 0.0138869400000000 ] - [ -0.0017932000000000, -0.0001480200000000, 0.0040436300000000 ] - [ 0.0002329200000000, -0.0000106000000000, -0.0000635200000000 ] - [ 0.0132417800000000, 0.0067053700000000, -0.0113067800000000 ] - [ 0.0000710400000000, -0.0001152800000000, -0.0006187200000000 ] - [ -0.0031326600000000, 0.0001185300000000, 0.0017014500000000 ] - [ -0.0018216900000000, -0.0011558400000000, -0.0017982400000000 ] - [ 0.0001212200000000, 0.0000933400000000, 0.0004079100000000 ] - [ -0.0003064200000000, -0.0000099400000000, 0.0006113800000000 ] - [ -0.0001224200000000, 0.0001382900000000, 0.0008916200000000 ] - [ 0.0002149300000000, -0.0000027300000000, 0.0008519800000000 ] - [ 0.0001103500000000, -0.0000932800000000, 0.0003931500000000 ] - [ -0.0001138500000000, -0.0001023800000000, 0.0006136500000000 ] - [ 0.0001231700000000, 0.0000018300000000, 0.0007040500000000 ] - [ -0.0002851000000000, 0.0000222600000000, 0.0003395200000000 ] - [ -0.0062564300000000, 0.0003183000000000, -0.0070564700000000 ] - [ 0.0003176800000000, 0.0000032700000000, 0.0000175100000000 ] - [ 0.0001849800000000, -0.0000012000000000, 0.0006846400000000 ] - [ -0.0006114100000000, 0.0001518400000000, -0.0003414300000000 ] - [ 0.0048808200000000, -0.0008227300000000, 0.0006296000000000 ] - [ -0.0002484200000000, 0.0000050700000000, 0.0003840200000000 ] - [ 0.0000825500000000, -0.0000011800000000, 0.0007611600000000 ] - [ 0.0007726600000000, 0.0000640200000000, 0.0001935900000000 ] - [ 0.0009113900000000, 0.0000892000000000, 0.0004514100000000 ] - [ -0.0008409600000000, -0.0000116300000000, 0.0029858600000000 ] - [ -0.0009356300000000, 0.0002057400000000, -0.0010188300000000 ] - [ 0.0009028000000000, -0.0002913400000000, -0.0010519800000000 ] - [ 0.0256621800000000, -0.0001111400000000, 0.0007383400000000 ] - [ -0.0008865300000000, 0.0026815500000000, -0.0054518900000000 ] - [ 0.0007777500000000, 0.0002771400000000, -0.0003916900000000 ] - [ 0.0068552900000000, 0.0004781600000000, -0.0019914500000000 ] - [ 0.0353012700000000, -0.0285265000000000, -0.0201392900000000 ] - [ 0.0074194100000000, -0.0018673600000000, -0.0040722900000000 ] - [ 0.0258096500000000, -0.0020209300000000, 0.0005903000000000 ] - [ 0.0047697200000000, 0.0005824200000000, 0.0034372000000000 ] - [ 0.0042040800000000, -0.0000753500000000, 0.0025707500000000 ] - [ 0.0255668000000000, -0.0008813000000000, 0.0022626300000000 ] - [ 0.0252963800000000, -0.0090871400000000, -0.0061677300000000 ] - [ 0.0063648500000000, 0.0010130100000000, -0.0022656800000000 ] - [ -0.0080534600000000, 0.0016252600000000, 0.0026787600000000 ] - [ -0.0008717500000000, 0.0000189000000000, 0.0005306800000000 ] - [ -0.0013749600000000, 0.0001695400000000, 0.0021290800000000 ] - [ 0.0276941700000000, -0.0007032800000000, 0.0013637900000000 ] - [ -0.0000899200000000, -0.0000461600000000, 0.0001818400000000 ] - [ 0.0009461100000000, -0.0001484400000000, -0.0008629600000000 ] - [ -0.0017420100000000, -0.0023711000000000, -0.0059438400000000 ] - [ 0.0002944300000000, -0.0000140900000000, 0.0002543500000000 ] - [ 0.0001210200000000, 0.0000029100000000, -0.0001106000000000 ] - [ 0.0000715000000000, 0.0000445700000000, -0.0002462900000000 ] - [ 0.0006188000000000, 0.0000906300000000, -0.0001480000000000 ] - [ -0.0000542100000000, 0.0000160000000000, -0.0002245300000000 ] - [ -0.0000256800000000, 0.0001575800000000, -0.0000077200000000 ] - [ 0.0004117800000000, -0.0000009800000000, 0.0000069100000000 ] - [ 0.0002132100000000, -0.0000061700000000, -0.0002392900000000 ] - [ -0.0002420800000000, -0.0000195400000000, -0.0000877600000000 ] - [ 0.0000501500000000, 0.0001953300000000, 0.0002715100000000 ] - [ -0.0000276300000000, -0.0001564600000000, -0.0000024700000000 ] - [ 0.0000775100000000, -0.0000011300000000, 0.0003186500000000 ] - [ 0.0000513600000000, -0.0001947900000000, 0.0002679300000000 ] - [ -0.0000298900000000, 0.0000091700000000, 0.0000962500000000 ] - [ 0.0001853500000000, 0.0000016100000000, -0.0001209800000000 ] - [ 0.0000142800000000, 0.0001834400000000, 0.0002106400000000 ] - [ -0.0001772000000000, -0.0001268700000000, 0.0004492400000000 ] - [ -0.0010871200000000, -0.0002888300000000, -0.0014233400000000 ] - [ -0.0019833700000000, -0.0023640600000000, -0.0064306700000000 ] - [ 0.0005054600000000, -0.0002026300000000, 0.0009151400000000 ] - [ -0.0013469900000000, -0.0000174700000000, -0.0000071100000000 ] - [ -0.0049107200000000, -0.0012559900000000, 0.0003590700000000 ] - [ -0.0017691200000000, 0.0001476800000000, 0.0028504400000000 ] - [ -0.0010250800000000, 0.0000087900000000, 0.0003273600000000 ] - [ -0.0025396000000000, 0.0000782300000000, -0.0000570900000000 ] - [ -0.0061685700000000, 0.0009766200000000, 0.0003177700000000 ] - [ -0.0083569400000000, 0.0018479700000000, 0.0022827600000000 ] - [ -0.0086697500000000, -0.0015068800000000, 0.0002407600000000 ] - [ -0.0029642700000000, 0.0000242300000000, 0.0005118300000000 ] - [ -0.0027525800000000, 0.0002292600000000, 0.0007617000000000 ] - [ -0.0079988300000000, -0.0014001700000000, 0.0002323800000000 ] - [ -0.0051297700000000, 0.0008059000000000, 0.0007427800000000 ] - [ -0.0023678800000000, -0.0001342600000000, 0.0002832900000000 ] - [ 0.0089148500000000, -0.0013690500000000, -0.0022907500000000 ] - [ 0.0010326300000000, 0.0003408600000000, -0.0004090100000000 ] - [ -0.0003847200000000, 0.0025742000000000, -0.0055618500000000 ] - [ -0.0048778200000000, -0.0009501500000000, 0.0007419200000000 ] - [ 0.0000630000000000, -0.0000376300000000, -0.0002069800000000 ] - [ -0.0004631900000000, 0.0000181700000000, 0.0002866500000000 ] - [ -0.0004369600000000, -0.0000324700000000, 0.0030990600000000 ] - [ -0.0006652300000000, 0.0000353900000000, -0.0016172700000000 ] - [ 0.0001017100000000, 0.0000028700000000, 0.0000410000000000 ] - [ -0.0000675500000000, 0.0000545100000000, 0.0001394000000000 ] - [ -0.0007668200000000, -0.0000053000000000, -0.0020113500000000 ] - [ -0.0003471700000000, 0.0000180700000000, -0.0005987000000000 ] - [ 0.0000651700000000, 0.0001664300000000, 0.0000226500000000 ] - [ 0.0004240600000000, -0.0000009600000000, -0.0000888800000000 ] - [ -0.0000982200000000, -0.0000073300000000, -0.0004225400000000 ] - [ 0.0001157800000000, -0.0000186600000000, 0.0003125200000000 ] - [ -0.0000739600000000, 0.0001946800000000, 0.0002635700000000 ] - [ 0.0000636100000000, -0.0001654400000000, 0.0000273400000000 ] - [ 0.0000624800000000, -0.0000007400000000, 0.0004133000000000 ] - [ -0.0000723300000000, -0.0001939400000000, 0.0002588700000000 ] - [ 0.0002037600000000, 0.0000088300000000, 0.0002400000000000 ] - [ 0.0002211100000000, 0.0000023000000000, -0.0002226700000000 ] - [ -0.0001617500000000, 0.0001312900000000, 0.0004235300000000 ] - [ 0.0000143400000000, -0.0001774300000000, 0.0002420600000000 ]- atom: 6 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0009987300000000, -0.0002509100000000, 0.0004600900000000 ] - [ 0.0016698100000000, 0.0011878400000000, 0.0012385900000000 ] - [ -0.0014078300000000, 0.0000552000000000, 0.0018415900000000 ] - [ -0.0129391400000000, -0.0067494900000000, 0.0105889600000000 ] - [ 0.0023538600000000, 0.0001843600000000, -0.0043917600000000 ] - [ 0.1415982800000000, -0.0364496000000000, 0.0009975600000000 ] - [ 0.0205470000000000, 0.0183580200000000, -0.0175445800000000 ] - [ 0.0315712200000000, -0.0005987600000000, -0.0150809000000000 ] - [ 0.0071790700000000, -0.0014616500000000, 0.0100848300000000 ] - [ -0.0064447300000000, 0.0017581300000000, 0.0028864200000000 ] - [ -0.0014769400000000, -0.0001884300000000, 0.0012165900000000 ] - [ 0.0002700900000000, 0.0000098400000000, -0.0005734400000000 ] - [ -0.0136221900000000, -0.0161632300000000, -0.0093213400000000 ] - [ 0.0002566300000000, 0.0000922100000000, -0.0013434700000000 ] - [ -0.0011831500000000, 0.0001925700000000, 0.0014885600000000 ] - [ -0.0029291000000000, 0.0002112400000000, -0.0011210700000000 ] - [ 0.0001006900000000, 0.0000465100000000, -0.0001411300000000 ] - [ -0.0003303800000000, 0.0000094700000000, 0.0000910800000000 ] - [ -0.0000924900000000, 0.0001325400000000, 0.0003604900000000 ] - [ 0.0002210300000000, 0.0000028600000000, 0.0002269200000000 ] - [ 0.0001125800000000, -0.0000460400000000, -0.0001251400000000 ] - [ -0.0001053100000000, -0.0000972000000000, 0.0000392500000000 ] - [ 0.0001195900000000, -0.0000019300000000, 0.0001473100000000 ] - [ -0.0003067300000000, -0.0000109300000000, -0.0001638600000000 ] - [ -0.0010404400000000, -0.0001134900000000, -0.0004422000000000 ] - [ -0.0032644200000000, 0.0002342900000000, -0.0014517800000000 ] - [ 0.0037388400000000, -0.0002029500000000, -0.0022220300000000 ] - [ -0.0143895500000000, -0.0159400800000000, -0.0102914000000000 ] - [ -0.0017361000000000, -0.0000431700000000, 0.0015652100000000 ] - [ -0.0074912800000000, -0.0004122300000000, 0.0013266000000000 ] - [ -0.0069550500000000, 0.0018555600000000, 0.0028018100000000 ] - [ -0.0122976500000000, 0.0003263600000000, -0.0005312000000000 ] - [ -0.0063309300000000, 0.0007265600000000, -0.0011438700000000 ] - [ 0.0205660400000000, 0.0170422400000000, -0.0139311900000000 ] - [ 0.0019842300000000, 0.0000010700000000, -0.0047879300000000 ] - [ -0.0001397200000000, 0.0000106200000000, -0.0003543900000000 ] - [ -0.0126027400000000, -0.0068261900000000, 0.0111885000000000 ] - [ -0.0000126300000000, 0.0001155300000000, -0.0000390500000000 ] - [ 0.0033211800000000, 0.0000287100000000, -0.0024426400000000 ] - [ 0.0025373000000000, 0.0011525600000000, 0.0014573400000000 ] - [ -0.0000050100000000, -0.0000087600000000, -0.0004012200000000 ] - [ 0.0000645200000000, 0.0000101300000000, -0.0000218900000000 ] - [ -0.0000943800000000, 0.0000970400000000, 0.0000577200000000 ] - [ 0.0001987300000000, 0.0000029300000000, 0.0002399800000000 ] - [ 0.0000059700000000, 0.0000090900000000, -0.0003864700000000 ] - [ -0.0001045200000000, -0.0001325400000000, 0.0003363600000000 ] - [ 0.0002709800000000, -0.0000016400000000, 0.0000554800000000 ] - [ 0.0003496900000000, -0.0000221500000000, -0.0005866800000000 ] - [ 0.0061178400000000, -0.0003218000000000, 0.0066096200000000 ] - [ -0.0002600300000000, -0.0000098400000000, 0.0000181800000000 ] - [ 0.0000786400000000, -0.0000047400000000, 0.0003399600000000 ] - [ 0.0005917200000000, -0.0001446200000000, -0.0001817900000000 ] - [ -0.0050636900000000, 0.0008195100000000, -0.0010373600000000 ] - [ 0.0003061900000000, -0.0000117900000000, -0.0003508800000000 ] - [ 0.0001813000000000, -0.0000050600000000, 0.0002638200000000 ] - [ -0.0007960200000000, -0.0000574900000000, -0.0007135100000000 ] - [ -0.0009247000000000, -0.0000151000000000, -0.0002393500000000 ] - [ 0.0006586400000000, 0.0000038100000000, -0.0035137100000000 ] - [ 0.0009170000000000, -0.0002807600000000, 0.0012339800000000 ] - [ -0.0015902800000000, 0.0002925300000000, 0.0000218200000000 ] - [ -0.0277127700000000, -0.0002000200000000, -0.0028735300000000 ] - [ 0.0004894000000000, -0.0026722100000000, 0.0054707900000000 ] - [ -0.0012203100000000, -0.0002781800000000, 0.0002531800000000 ] - [ -0.0070478900000000, -0.0004598300000000, 0.0016623200000000 ] - [ -0.0361416900000000, 0.0291293900000000, 0.0197767400000000 ] - [ -0.0077116200000000, 0.0020994300000000, 0.0034008700000000 ] - [ -0.0257303200000000, 0.0022384700000000, -0.0012552400000000 ] - [ -0.0049576200000000, -0.0006057000000000, -0.0037910000000000 ] - [ -0.0042407200000000, 0.0001624900000000, -0.0026674400000000 ] - [ -0.0253970800000000, 0.0006810800000000, -0.0022225500000000 ] - [ -0.0246771900000000, 0.0087995400000000, 0.0061364900000000 ] - [ -0.0063965100000000, -0.0010960400000000, 0.0021508900000000 ] - [ 0.0079884300000000, -0.0019300300000000, -0.0026754300000000 ] - [ 0.0007661500000000, -0.0000193100000000, -0.0004092100000000 ] - [ 0.0009961100000000, -0.0001751700000000, -0.0028190500000000 ] - [ -0.0260819400000000, 0.0010505600000000, 0.0001167500000000 ] - [ 0.0000487100000000, -0.0000394800000000, 0.0001209000000000 ] - [ -0.0006772500000000, 0.0001478100000000, 0.0003800100000000 ] - [ 0.0020886000000000, 0.0023815900000000, 0.0055096000000000 ] - [ -0.0004763400000000, -0.0000470500000000, -0.0012708200000000 ] - [ 0.0000974400000000, -0.0000026800000000, 0.0004217700000000 ] - [ -0.0001127700000000, 0.0000418300000000, 0.0005497700000000 ] - [ -0.0007995000000000, -0.0000290900000000, -0.0008679200000000 ] - [ -0.0003351300000000, -0.0000159900000000, -0.0001712300000000 ] - [ 0.0000667100000000, 0.0001691600000000, 0.0004121500000000 ] - [ 0.0004024600000000, 0.0000011600000000, 0.0002854800000000 ] - [ -0.0000855400000000, 0.0000065000000000, -0.0000307800000000 ] - [ 0.0001532400000000, 0.0000196200000000, 0.0008312900000000 ] - [ -0.0000619300000000, 0.0001778400000000, 0.0006403700000000 ] - [ 0.0000686600000000, -0.0001701800000000, 0.0004068700000000 ] - [ 0.0000544200000000, 0.0000012900000000, 0.0007895000000000 ] - [ -0.0000632700000000, -0.0001780400000000, 0.0006439400000000 ] - [ 0.0001437300000000, -0.0000088900000000, 0.0005778800000000 ] - [ 0.0002182900000000, -0.0000014500000000, 0.0002026600000000 ] - [ -0.0001538600000000, 0.0000656500000000, 0.0007501600000000 ] - [ 0.0000388900000000, -0.0001214600000000, 0.0005126400000000 ] - [ 0.0010681900000000, 0.0003637200000000, 0.0016360000000000 ] - [ 0.0017748500000000, 0.0023558800000000, 0.0059073400000000 ] - [ -0.0005172200000000, 0.0001288300000000, -0.0007036300000000 ] - [ 0.0006644000000000, 0.0000171100000000, -0.0010182200000000 ] - [ 0.0046791100000000, 0.0010337300000000, -0.0010105800000000 ] - [ 0.0014028000000000, -0.0001390900000000, -0.0028336000000000 ] - [ 0.0005886100000000, -0.0000080700000000, -0.0004566600000000 ] - [ 0.0023728100000000, -0.0000638000000000, -0.0002633800000000 ] - [ 0.0052659100000000, -0.0009617200000000, -0.0010709200000000 ] - [ 0.0080506100000000, -0.0016147100000000, -0.0029079100000000 ] - [ 0.0084998400000000, 0.0015133600000000, -0.0006799700000000 ] - [ 0.0027904800000000, -0.0000361300000000, -0.0008228800000000 ] - [ 0.0027096000000000, -0.0001454200000000, -0.0008929200000000 ] - [ 0.0084036400000000, 0.0013937500000000, -0.0004124400000000 ] - [ 0.0057041300000000, -0.0008176700000000, -0.0005086500000000 ] - [ 0.0023191800000000, 0.0000485700000000, -0.0004057900000000 ] - [ -0.0089903600000000, 0.0010747100000000, 0.0023357800000000 ] - [ -0.0011348300000000, -0.0003396000000000, 0.0005392800000000 ] - [ 0.0000252000000000, -0.0025829400000000, 0.0048818300000000 ] - [ 0.0047443600000000, 0.0012423700000000, -0.0007122600000000 ] - [ -0.0001037400000000, -0.0000485900000000, 0.0005101500000000 ] - [ 0.0007271500000000, -0.0000176900000000, -0.0007740300000000 ] - [ 0.0007585600000000, 0.0000399700000000, -0.0035330500000000 ] - [ 0.0004899800000000, -0.0000963800000000, 0.0005987600000000 ] - [ 0.0001164500000000, -0.0000026700000000, 0.0002700700000000 ] - [ 0.0000256900000000, 0.0000319600000000, 0.0001625600000000 ] - [ 0.0005923300000000, 0.0000662800000000, 0.0009958300000000 ] - [ -0.0000405000000000, -0.0000180900000000, 0.0002022200000000 ] - [ -0.0000240200000000, 0.0001602800000000, 0.0003812700000000 ] - [ 0.0003904800000000, 0.0000011800000000, 0.0003814000000000 ] - [ 0.0002267000000000, 0.0000075700000000, 0.0001518700000000 ] - [ -0.0002038600000000, 0.0000188600000000, 0.0004295500000000 ] - [ 0.0000623900000000, 0.0001785600000000, 0.0006481500000000 ] - [ -0.0000223800000000, -0.0001611700000000, 0.0003765700000000 ] - [ 0.0000699400000000, 0.0000009600000000, 0.0006948500000000 ] - [ 0.0000606000000000, -0.0001788100000000, 0.0006528200000000 ] - [ -0.0000888700000000, -0.0000085500000000, 0.0004330400000000 ] - [ 0.0001821700000000, -0.0000020800000000, 0.0003042500000000 ] - [ 0.0000234100000000, 0.0001173800000000, 0.0005383300000000 ] - [ -0.0001539900000000, -0.0000712300000000, 0.0007187400000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002536400000000, 0.0000053600000000, 0.0004480300000000 ] - [ -0.0015508000000000, -0.0000436500000000, -0.0019068900000000 ] - [ 0.0000824600000000, -0.0019694400000000, -0.0000700900000000 ] - [ 0.0149722000000000, 0.0002472400000000, -0.0055759700000000 ] - [ 0.0003030600000000, 0.0004662000000000, 0.0001405300000000 ] - [ 0.0368984600000000, -0.2344700500000000, -0.0258244400000000 ] - [ -0.0176757100000000, 0.0046626200000000, -0.0238051900000000 ] - [ -0.0006333200000000, 0.0880314900000000, -0.0012560800000000 ] - [ -0.0001964400000000, 0.0010977300000000, 0.0159309200000000 ] - [ -0.0020514500000000, 0.0000505700000000, -0.0000023800000000 ] - [ 0.0002950000000000, 0.0015349400000000, -0.0003980700000000 ] - [ 0.0000200600000000, 0.0000001500000000, -0.0001893400000000 ] - [ 0.0078285600000000, 0.0012164800000000, 0.0055072300000000 ] - [ -0.0000721600000000, 0.0000009700000000, -0.0002725900000000 ] - [ 0.0002845100000000, -0.0015377400000000, -0.0003840000000000 ] - [ 0.0002856400000000, 0.0000101000000000, -0.0001290800000000 ] - [ 0.0000553100000000, 0.0000505900000000, 0.0000078300000000 ] - [ -0.0001337300000000, 0.0000001200000000, 0.0002770800000000 ] - [ -0.0001164400000000, 0.0000995600000000, 0.0004897100000000 ] - [ 0.0002048200000000, 0.0000002500000000, 0.0005624300000000 ] - [ 0.0000550100000000, -0.0000499400000000, 0.0000074400000000 ] - [ -0.0000928400000000, -0.0000912200000000, 0.0004892300000000 ] - [ 0.0002046400000000, 0.0000000700000000, 0.0004000600000000 ] - [ 0.0000651500000000, -0.0000002300000000, -0.0000117200000000 ] - [ 0.0003507700000000, 0.0000014000000000, 0.0002959000000000 ] - [ -0.0002320900000000, 0.0000086600000000, -0.0005806100000000 ] - [ 0.0002621500000000, -0.0004780400000000, 0.0001052400000000 ] - [ 0.0068509800000000, 0.0014193500000000, 0.0043892400000000 ] - [ 0.0000838000000000, 0.0019623000000000, -0.0000807900000000 ] - [ 0.0003978700000000, -0.0002095700000000, 0.0004246900000000 ] - [ -0.0025398200000000, 0.0000375600000000, -0.0007747600000000 ] - [ 0.0003111900000000, 0.0001906000000000, 0.0003469600000000 ] - [ 0.0005563900000000, -0.0000593500000000, -0.0001537200000000 ] - [ -0.0163779500000000, 0.0037342800000000, -0.0191017200000000 ] - [ -0.0001395800000000, 0.0003151100000000, -0.0000562000000000 ] - [ 0.0000599000000000, -0.0000001300000000, -0.0002104300000000 ] - [ 0.0150482200000000, 0.0002400900000000, -0.0044562500000000 ] - [ -0.0000475900000000, -0.0000022300000000, -0.0004449400000000 ] - [ -0.0001992900000000, -0.0003097800000000, -0.0000844100000000 ] - [ -0.0006645300000000, -0.0000730100000000, -0.0017666000000000 ] - [ 0.0000596700000000, 0.0000611200000000, 0.0000395200000000 ] - [ -0.0001411600000000, -0.0000000700000000, 0.0003091800000000 ] - [ -0.0000929300000000, 0.0000928600000000, 0.0004889500000000 ] - [ 0.0002044400000000, 0.0000003100000000, 0.0005703300000000 ] - [ 0.0000594900000000, -0.0000590600000000, 0.0000397000000000 ] - [ -0.0001162000000000, -0.0000992000000000, 0.0004900600000000 ] - [ 0.0001923100000000, 0.0000005300000000, 0.0004056700000000 ] - [ 0.0000259700000000, 0.0000004300000000, 0.0000210300000000 ] - [ -0.0010361800000000, 0.0014309700000000, 0.0095938600000000 ] - [ 0.0000703300000000, -0.0000029000000000, 0.0000829200000000 ] - [ 0.0001348400000000, -0.0000027600000000, 0.0005245200000000 ] - [ 0.0000420000000000, 0.0000086800000000, -0.0001837900000000 ] - [ 0.0004771900000000, -0.0000451300000000, 0.0000344900000000 ] - [ -0.0000003000000000, -0.0000027900000000, 0.0000649700000000 ] - [ 0.0001319900000000, -0.0000029600000000, 0.0005353500000000 ] - [ 0.0001151100000000, 0.0000030400000000, -0.0001773000000000 ] - [ 0.0000825900000000, 0.0004360300000000, 0.0001818700000000 ] - [ -0.0022352800000000, 0.0001832200000000, 0.0037594000000000 ] - [ -0.0000710700000000, -0.0001014300000000, 0.0001165300000000 ] - [ -0.0003210500000000, -0.0000185100000000, -0.0002814000000000 ] - [ 0.0032001000000000, 0.0201145700000000, -0.0011467000000000 ] - [ -0.0005491500000000, 0.0003199100000000, -0.0007642600000000 ] - [ -0.0003425700000000, 0.0000010000000000, -0.0005999600000000 ] - [ 0.0000064900000000, 0.0038880500000000, -0.0004249700000000 ] - [ -0.0292765900000000, 0.0686566200000000, 0.0315745000000000 ] - [ 0.0008384800000000, -0.0107286200000000, 0.0002443600000000 ] - [ -0.0036086800000000, 0.0071631000000000, 0.0052782600000000 ] - [ 0.0000024600000000, -0.0041935200000000, -0.0002463400000000 ] - [ 0.0008340100000000, -0.0027849000000000, 0.0007945800000000 ] - [ -0.0026195400000000, 0.0098602300000000, 0.0040470600000000 ] - [ -0.0085070700000000, 0.0262364600000000, 0.0044029300000000 ] - [ 0.0006592000000000, 0.0026767900000000, 0.0004884300000000 ] - [ -0.0008302700000000, 0.0027538900000000, 0.0001517200000000 ] - [ 0.0001759300000000, -0.0000005000000000, -0.0003195600000000 ] - [ 0.0014590300000000, -0.0000194200000000, -0.0023393500000000 ] - [ 0.0010331300000000, 0.0208191400000000, -0.0028618600000000 ] - [ -0.0000269100000000, -0.0000628500000000, 0.0001649100000000 ] - [ 0.0002842500000000, -0.0000155000000000, -0.0000574300000000 ] - [ 0.0003974700000000, 0.0002111000000000, 0.0001627300000000 ] - [ -0.0000323800000000, -0.0002832000000000, -0.0003609300000000 ] - [ 0.0001134600000000, 0.0000002600000000, 0.0001296800000000 ] - [ -0.0000051100000000, 0.0000547700000000, 0.0001263500000000 ] - [ -0.0000163300000000, 0.0002895800000000, -0.0003644000000000 ] - [ -0.0001778300000000, 0.0000002600000000, -0.0002078400000000 ] - [ 0.0000200500000000, 0.0001679900000000, 0.0001943900000000 ] - [ 0.0004071800000000, 0.0000001000000000, 0.0001411000000000 ] - [ 0.0000769200000000, 0.0000002000000000, -0.0001251100000000 ] - [ -0.0000826700000000, 0.0000004200000000, 0.0004192500000000 ] - [ -0.0000002800000000, 0.0001862900000000, 0.0004446200000000 ] - [ 0.0000199500000000, -0.0001677400000000, 0.0001944100000000 ] - [ 0.0000594000000000, 0.0000000800000000, 0.0005454500000000 ] - [ -0.0000003300000000, -0.0001859800000000, 0.0004446100000000 ] - [ 0.0000748100000000, 0.0000005300000000, 0.0002941400000000 ] - [ 0.0002047400000000, 0.0000001800000000, 0.0000216100000000 ] - [ -0.0000808500000000, 0.0001481300000000, 0.0004459400000000 ] - [ -0.0000689300000000, -0.0001459200000000, 0.0004716000000000 ] - [ -0.0000782200000000, 0.0001289700000000, 0.0001133500000000 ] - [ 0.0000899400000000, 0.0001612000000000, 0.0005452300000000 ] - [ 0.0000670200000000, -0.0004308600000000, 0.0001878700000000 ] - [ -0.0008129100000000, -0.0000020600000000, -0.0000164600000000 ] - [ -0.0014093400000000, -0.0030149900000000, 0.0000164300000000 ] - [ 0.0030998600000000, 0.0000894600000000, -0.0033664000000000 ] - [ 0.0001214300000000, -0.0000020300000000, -0.0005144100000000 ] - [ -0.0000073300000000, -0.0003108300000000, 0.0000973300000000 ] - [ -0.0005371400000000, 0.0000470900000000, -0.0002244500000000 ] - [ -0.0012850100000000, 0.0030103800000000, 0.0000906000000000 ] - [ -0.0003682500000000, 0.0000642500000000, -0.0002530300000000 ] - [ -0.0000057100000000, 0.0003134500000000, 0.0000877300000000 ] - [ -0.0000670700000000, 0.0002705700000000, -0.0000934400000000 ] - [ -0.0002111300000000, 0.0000842800000000, -0.0002627500000000 ] - [ 0.0001666900000000, 0.0000719500000000, 0.0004203300000000 ] - [ -0.0000613700000000, -0.0002703900000000, -0.0000844900000000 ] - [ -0.0000180900000000, -0.0108795000000000, -0.0009993400000000 ] - [ 0.0000253300000000, 0.0000204600000000, -0.0002682500000000 ] - [ -0.0002232900000000, 0.0002684500000000, -0.0015032800000000 ] - [ -0.0009959600000000, -0.0027394600000000, 0.0000298700000000 ] - [ -0.0000039600000000, -0.0000548400000000, 0.0001272900000000 ] - [ -0.0001744100000000, -0.0000011600000000, 0.0001946400000000 ] - [ -0.0019078200000000, 0.0001557700000000, 0.0031609400000000 ] - [ -0.0000799000000000, -0.0000806100000000, -0.0006088900000000 ] - [ 0.0001094100000000, 0.0000002500000000, 0.0001473100000000 ] - [ -0.0000268300000000, 0.0000634900000000, 0.0001633300000000 ] - [ -0.0000799300000000, 0.0001030100000000, -0.0005978300000000 ] - [ -0.0001906900000000, 0.0000000300000000, -0.0002587000000000 ] - [ 0.0000240500000000, 0.0001668600000000, 0.0001862200000000 ] - [ 0.0004075100000000, 0.0000001100000000, 0.0001298600000000 ] - [ 0.0000401400000000, 0.0000005500000000, -0.0001437200000000 ] - [ -0.0000384400000000, 0.0000002800000000, 0.0003920200000000 ] - [ -0.0000123200000000, 0.0001852900000000, 0.0004399800000000 ] - [ 0.0000240000000000, -0.0001666300000000, 0.0001862400000000 ] - [ 0.0000671900000000, 0.0000001300000000, 0.0005465900000000 ] - [ -0.0000123200000000, -0.0001848900000000, 0.0004399100000000 ] - [ 0.0000832200000000, 0.0000003000000000, 0.0002957200000000 ] - [ 0.0002014600000000, 0.0000001900000000, 0.0000130400000000 ] - [ -0.0000685900000000, 0.0001462400000000, 0.0004711500000000 ] - [ -0.0000805900000000, -0.0001480500000000, 0.0004464800000000 ]- atom: 6 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000349600000000, -0.0000043100000000, 0.0001407700000000 ] - [ 0.0014263600000000, 0.0000426900000000, 0.0011249000000000 ] - [ 0.0000796800000000, 0.0020469700000000, -0.0000040000000000 ] - [ -0.0151782600000000, -0.0002376800000000, 0.0048487600000000 ] - [ -0.0001453900000000, -0.0005460400000000, -0.0002064900000000 ] - [ -0.0357445100000000, 0.2329344700000000, 0.0246616600000000 ] - [ 0.0174016000000000, -0.0047748700000000, 0.0237932600000000 ] - [ 0.0005648800000000, -0.0880445900000000, 0.0012919200000000 ] - [ 0.0000151100000000, -0.0011199800000000, -0.0158268000000000 ] - [ 0.0020453800000000, -0.0000493800000000, -0.0000417700000000 ] - [ -0.0000987000000000, -0.0016838100000000, -0.0003428900000000 ] - [ 0.0000731700000000, 0.0000001100000000, -0.0002287400000000 ] - [ -0.0071829300000000, -0.0013327300000000, -0.0057058000000000 ] - [ 0.0001291000000000, -0.0000004400000000, -0.0003872300000000 ] - [ -0.0000887900000000, 0.0016867900000000, -0.0003560500000000 ] - [ 0.0004225800000000, -0.0000098500000000, -0.0002022500000000 ] - [ 0.0000617000000000, 0.0000341700000000, -0.0000010500000000 ] - [ -0.0001085400000000, 0.0000000200000000, 0.0003106500000000 ] - [ -0.0001008200000000, 0.0001352300000000, 0.0004586500000000 ] - [ 0.0002091500000000, 0.0000000800000000, 0.0005300800000000 ] - [ 0.0000620700000000, -0.0000344600000000, -0.0000007700000000 ] - [ -0.0001246000000000, -0.0001432800000000, 0.0004595100000000 ] - [ 0.0001895500000000, -0.0000000600000000, 0.0003598400000000 ] - [ -0.0000004900000000, 0.0000004700000000, -0.0002412000000000 ] - [ -0.0000609800000000, -0.0000006900000000, 0.0002936600000000 ] - [ 0.0001096100000000, -0.0000084400000000, -0.0001959900000000 ] - [ -0.0001064700000000, 0.0005575300000000, -0.0001821500000000 ] - [ -0.0071159600000000, -0.0013071500000000, -0.0051230100000000 ] - [ 0.0000775100000000, -0.0020398100000000, 0.0000069900000000 ] - [ -0.0004332200000000, 0.0002184000000000, -0.0004074500000000 ] - [ 0.0023464000000000, -0.0000360700000000, 0.0009385100000000 ] - [ -0.0003482900000000, -0.0001991200000000, -0.0003311400000000 ] - [ -0.0007499400000000, 0.0000496600000000, 0.0002767900000000 ] - [ 0.0164237200000000, -0.0036235200000000, 0.0192006100000000 ] - [ 0.0003361600000000, -0.0004618900000000, -0.0006927100000000 ] - [ 0.0000331900000000, 0.0000001900000000, -0.0002077200000000 ] - [ -0.0144555300000000, -0.0002597000000000, 0.0042469700000000 ] - [ 0.0001041900000000, 0.0000031000000000, -0.0002145900000000 ] - [ 0.0004003300000000, 0.0004571800000000, -0.0006497200000000 ] - [ 0.0013731600000000, 0.0000760900000000, 0.0014384000000000 ] - [ 0.0000572800000000, 0.0000236400000000, -0.0000328000000000 ] - [ -0.0001014800000000, 0.0000002800000000, 0.0002785500000000 ] - [ -0.0001243600000000, 0.0001420200000000, 0.0004597000000000 ] - [ 0.0002095600000000, -0.0000001100000000, 0.0005220900000000 ] - [ 0.0000575600000000, -0.0000253000000000, -0.0000330300000000 ] - [ -0.0001010400000000, -0.0001354400000000, 0.0004584300000000 ] - [ 0.0002018100000000, -0.0000003200000000, 0.0003543800000000 ] - [ 0.0000381700000000, -0.0000004000000000, -0.0002736300000000 ] - [ 0.0008557700000000, -0.0014402500000000, -0.0100098100000000 ] - [ -0.0000128900000000, -0.0000038000000000, -0.0000501300000000 ] - [ 0.0001288500000000, -0.0000032300000000, 0.0005000600000000 ] - [ -0.0000635600000000, -0.0000022600000000, -0.0003384900000000 ] - [ -0.0006473100000000, 0.0000484600000000, -0.0004584100000000 ] - [ 0.0000580800000000, -0.0000038800000000, -0.0000321800000000 ] - [ 0.0001317100000000, -0.0000032800000000, 0.0004894600000000 ] - [ -0.0001368900000000, 0.0000037600000000, -0.0003452600000000 ] - [ -0.0000971800000000, -0.0003611200000000, 0.0000332300000000 ] - [ 0.0020269800000000, -0.0001897900000000, -0.0042743100000000 ] - [ 0.0000562100000000, 0.0000272000000000, 0.0000991700000000 ] - [ -0.0003633400000000, 0.0000190400000000, -0.0007421500000000 ] - [ -0.0032621000000000, -0.0203464000000000, 0.0006381300000000 ] - [ 0.0001613700000000, -0.0003011500000000, 0.0007812700000000 ] - [ -0.0000961500000000, -0.0000015500000000, 0.0004710000000000 ] - [ -0.0001548500000000, -0.0038687000000000, 0.0000989800000000 ] - [ 0.0263913700000000, -0.0651636900000000, -0.0298885000000000 ] - [ -0.0010431300000000, 0.0109421500000000, -0.0008489900000000 ] - [ 0.0038435300000000, -0.0062024300000000, -0.0063805400000000 ] - [ -0.0001930400000000, 0.0041742400000000, -0.0000867100000000 ] - [ -0.0008675600000000, 0.0028685800000000, -0.0009116400000000 ] - [ 0.0025281000000000, -0.0109417500000000, -0.0034370100000000 ] - [ 0.0099984200000000, -0.0280531600000000, -0.0055692100000000 ] - [ -0.0007238000000000, -0.0027679400000000, -0.0005991800000000 ] - [ 0.0007301700000000, -0.0030502700000000, -0.0001020500000000 ] - [ -0.0002798200000000, 0.0000010000000000, 0.0004470600000000 ] - [ -0.0018243900000000, 0.0000155900000000, 0.0016569400000000 ] - [ -0.0013278700000000, -0.0204784800000000, 0.0027677000000000 ] - [ -0.0000145300000000, -0.0000239700000000, 0.0001376700000000 ] - [ -0.0000190700000000, 0.0000155300000000, -0.0004275500000000 ] - [ -0.0000560500000000, -0.0001927100000000, -0.0005961100000000 ] - [ -0.0001452900000000, 0.0002220300000000, -0.0006561900000000 ] - [ 0.0001048800000000, -0.0000000600000000, 0.0001817400000000 ] - [ -0.0000374300000000, 0.0000328700000000, 0.0001760200000000 ] - [ -0.0001622300000000, -0.0002284700000000, -0.0006501000000000 ] - [ -0.0002097800000000, -0.0000003300000000, -0.0001885800000000 ] - [ 0.0000208200000000, 0.0001581100000000, 0.0002092400000000 ] - [ 0.0004069600000000, 0.0000001000000000, 0.0001506200000000 ] - [ 0.0000512000000000, 0.0000001500000000, -0.0001447900000000 ] - [ -0.0000059900000000, -0.0000002800000000, 0.0003250200000000 ] - [ -0.0000112700000000, 0.0001866300000000, 0.0004665800000000 ] - [ 0.0000209100000000, -0.0001582800000000, 0.0002091900000000 ] - [ 0.0000736600000000, -0.0000000900000000, 0.0005621500000000 ] - [ -0.0000113900000000, -0.0001866300000000, 0.0004666000000000 ] - [ 0.0000387800000000, -0.0000002800000000, 0.0003813200000000 ] - [ 0.0001985600000000, -0.0000000100000000, 0.0000590300000000 ] - [ -0.0000576700000000, 0.0001002000000000, 0.0005173200000000 ] - [ -0.0000697700000000, -0.0001019500000000, 0.0004917900000000 ] - [ 0.0000617100000000, -0.0000549200000000, 0.0001000600000000 ] - [ -0.0002940600000000, -0.0001778900000000, -0.0010744200000000 ] - [ -0.0000826900000000, 0.0003556700000000, 0.0000290100000000 ] - [ 0.0001258100000000, 0.0000025100000000, -0.0010063300000000 ] - [ 0.0011496500000000, 0.0027853500000000, -0.0006758700000000 ] - [ -0.0034895400000000, -0.0000807500000000, 0.0033869900000000 ] - [ -0.0005612500000000, 0.0000019600000000, 0.0003857100000000 ] - [ -0.0001636500000000, 0.0003259600000000, -0.0004267600000000 ] - [ -0.0003677200000000, -0.0000543700000000, -0.0005210000000000 ] - [ 0.0010191900000000, -0.0027837300000000, -0.0007684000000000 ] - [ 0.0001994800000000, -0.0000780100000000, -0.0002052400000000 ] - [ -0.0001644400000000, -0.0003285500000000, -0.0004193400000000 ] - [ 0.0000191100000000, -0.0001853400000000, -0.0000195800000000 ] - [ 0.0006096900000000, -0.0000712800000000, 0.0000956900000000 ] - [ 0.0004100400000000, -0.0000636300000000, -0.0002021400000000 ] - [ 0.0000134000000000, 0.0001859800000000, -0.0000299400000000 ] - [ -0.0001422700000000, 0.0105957900000000, 0.0009710800000000 ] - [ -0.0001296000000000, -0.0000206600000000, 0.0003953100000000 ] - [ -0.0001430000000000, -0.0002865300000000, 0.0008206500000000 ] - [ 0.0008794300000000, 0.0030402900000000, 0.0000018900000000 ] - [ -0.0000380400000000, -0.0000325400000000, 0.0001748100000000 ] - [ 0.0004407600000000, 0.0000010300000000, -0.0006797900000000 ] - [ 0.0022515400000000, -0.0001489400000000, -0.0036023400000000 ] - [ -0.0000989800000000, 0.0000190500000000, -0.0004077200000000 ] - [ 0.0001089900000000, -0.0000000900000000, 0.0001643200000000 ] - [ -0.0000153900000000, 0.0000241100000000, 0.0001385400000000 ] - [ -0.0000973000000000, -0.0000413000000000, -0.0004159400000000 ] - [ -0.0001962000000000, -0.0000000700000000, -0.0001378900000000 ] - [ 0.0000168100000000, 0.0001592600000000, 0.0002173800000000 ] - [ 0.0004066200000000, 0.0000001300000000, 0.0001620200000000 ] - [ 0.0000881300000000, -0.0000003000000000, -0.0001262000000000 ] - [ -0.0000500600000000, -0.0000003400000000, 0.0003526800000000 ] - [ 0.0000007300000000, 0.0001877800000000, 0.0004713200000000 ] - [ 0.0000169000000000, -0.0001593800000000, 0.0002173800000000 ] - [ 0.0000657400000000, 0.0000001100000000, 0.0005609800000000 ] - [ 0.0000005500000000, -0.0001876400000000, 0.0004713600000000 ] - [ 0.0000304500000000, 0.0000000100000000, 0.0003799400000000 ] - [ 0.0002018500000000, 0.0000000000000000, 0.0000674100000000 ] - [ -0.0000700500000000, 0.0001019700000000, 0.0004921700000000 ] - [ -0.0000579500000000, -0.0000998300000000, 0.0005167100000000 ]- atom: 6 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0006354100000000, 0.0002752600000000, 0.0050346000000000 ] - [ -0.0027737200000000, -0.0014379900000000, 0.0051819000000000 ] - [ -0.0017824800000000, 0.0000778800000000, 0.0020321600000000 ] - [ -0.0160688700000000, 0.0002422800000000, -0.0038159200000000 ] - [ 0.0029874000000000, 0.0000414600000000, 0.0060016200000000 ] - [ -0.0211770100000000, -0.0198090600000000, -0.2032080200000000 ] - [ 0.0130413900000000, -0.0258755000000000, 0.0238296700000000 ] - [ 0.0104033000000000, 0.0013469200000000, -0.0516685900000000 ] - [ -0.0071619300000000, 0.0071926900000000, 0.0166163100000000 ] - [ -0.0011764000000000, -0.0004246400000000, -0.0030947000000000 ] - [ -0.0010907600000000, -0.0002061100000000, 0.0016827700000000 ] - [ -0.0003618000000000, -0.0000097800000000, 0.0035197200000000 ] - [ 0.0163769600000000, 0.0146415300000000, -0.0005793200000000 ] - [ 0.0005511600000000, -0.0000753100000000, 0.0045462900000000 ] - [ -0.0013185300000000, 0.0002016500000000, 0.0015825900000000 ] - [ 0.0027966900000000, -0.0000826200000000, 0.0018348200000000 ] - [ 0.0001026000000000, 0.0003334600000000, 0.0035889200000000 ] - [ -0.0001310900000000, -0.0000098100000000, 0.0037978200000000 ] - [ -0.0002862500000000, 0.0001043800000000, 0.0041511800000000 ] - [ 0.0002063300000000, -0.0000025000000000, 0.0048082500000000 ] - [ 0.0000892900000000, -0.0003335400000000, 0.0035714000000000 ] - [ 0.0000844200000000, -0.0001039300000000, 0.0040985900000000 ] - [ 0.0001971000000000, 0.0000020600000000, 0.0041861000000000 ] - [ 0.0000001500000000, 0.0000131600000000, 0.0035642300000000 ] - [ 0.0008416600000000, 0.0000748200000000, 0.0039049700000000 ] - [ 0.0022811600000000, -0.0001045000000000, 0.0014297900000000 ] - [ 0.0013422700000000, 0.0000265900000000, 0.0038888700000000 ] - [ 0.0150435900000000, 0.0141842000000000, -0.0006363500000000 ] - [ -0.0015447300000000, -0.0000853300000000, 0.0021769700000000 ] - [ -0.0002531100000000, 0.0004749500000000, -0.0160028600000000 ] - [ -0.0020204700000000, -0.0005453700000000, -0.0037447600000000 ] - [ 0.0022733200000000, -0.0003863000000000, -0.0158977100000000 ] - [ 0.0042710100000000, -0.0009535900000000, -0.0022527600000000 ] - [ 0.0104300200000000, -0.0240031600000000, 0.0245758600000000 ] - [ 0.0027513100000000, 0.0003264500000000, 0.0060315600000000 ] - [ -0.0002386000000000, -0.0000117300000000, 0.0032640600000000 ] - [ -0.0155331600000000, -0.0001005800000000, -0.0033635000000000 ] - [ -0.0004675000000000, -0.0001267700000000, 0.0040743800000000 ] - [ 0.0010270300000000, -0.0003019300000000, 0.0037425600000000 ] - [ -0.0027270600000000, -0.0015379700000000, 0.0052746100000000 ] - [ 0.0003701000000000, 0.0003483500000000, 0.0036301800000000 ] - [ -0.0001434900000000, -0.0000104900000000, 0.0041126800000000 ] - [ 0.0000733200000000, 0.0001044300000000, 0.0040856500000000 ] - [ 0.0002003500000000, -0.0000026300000000, 0.0048410900000000 ] - [ 0.0003590400000000, -0.0003482100000000, 0.0036187100000000 ] - [ -0.0002740500000000, -0.0001041100000000, 0.0041775000000000 ] - [ 0.0002020500000000, 0.0000016900000000, 0.0042799400000000 ] - [ 0.0000404600000000, 0.0000264600000000, 0.0046894100000000 ] - [ -0.0066991600000000, 0.0070025400000000, 0.0116452400000000 ] - [ 0.0000759600000000, 0.0000057800000000, 0.0024926500000000 ] - [ 0.0001238100000000, -0.0000012000000000, 0.0033690400000000 ] - [ -0.0006306700000000, 0.0001756500000000, 0.0030338400000000 ] - [ 0.0036265900000000, -0.0010098300000000, -0.0015302800000000 ] - [ -0.0000244000000000, 0.0000078000000000, 0.0032085200000000 ] - [ 0.0001417500000000, -0.0000014000000000, 0.0034819000000000 ] - [ 0.0005751700000000, 0.0000428000000000, 0.0022889300000000 ] - [ 0.0010046400000000, -0.0005361000000000, -0.0024698000000000 ] - [ 0.0028325300000000, 0.0000536500000000, -0.0020137200000000 ] - [ -0.0011661500000000, 0.0003376100000000, -0.0019637200000000 ] - [ -0.0001266800000000, -0.0003691000000000, -0.0036012800000000 ] - [ 0.0069020000000000, -0.0049252100000000, 0.0235488600000000 ] - [ -0.0033497900000000, 0.0022521300000000, -0.0030912700000000 ] - [ -0.0007159000000000, 0.0003605800000000, -0.0043277100000000 ] - [ 0.0005031200000000, 0.0010457200000000, -0.0079298800000000 ] - [ -0.0169332300000000, 0.0286839000000000, 0.0469719400000000 ] - [ -0.0029799800000000, -0.0016839900000000, 0.0096120200000000 ] - [ 0.0051686400000000, 0.0028172200000000, 0.0234270000000000 ] - [ -0.0010554300000000, 0.0001778200000000, -0.0034535200000000 ] - [ -0.0003731700000000, 0.0006315500000000, -0.0030634000000000 ] - [ 0.0058411700000000, 0.0013332700000000, 0.0234523500000000 ] - [ -0.0060751100000000, 0.0080748100000000, 0.0338614200000000 ] - [ 0.0008989900000000, 0.0007205500000000, -0.0078143700000000 ] - [ 0.0036179300000000, -0.0002427900000000, 0.0063697400000000 ] - [ 0.0001792500000000, -0.0000137600000000, -0.0014090000000000 ] - [ 0.0020444300000000, -0.0001426500000000, -0.0009528000000000 ] - [ 0.0065882600000000, -0.0056877400000000, 0.0225114200000000 ] - [ 0.0000743500000000, -0.0000328700000000, -0.0023262100000000 ] - [ -0.0003160200000000, -0.0002142100000000, -0.0036751700000000 ] - [ -0.0026639200000000, -0.0020407800000000, -0.0044768300000000 ] - [ 0.0006387600000000, 0.0000813100000000, -0.0029002200000000 ] - [ 0.0000609100000000, 0.0000031700000000, -0.0025374200000000 ] - [ -0.0001242100000000, 0.0000506500000000, -0.0027124700000000 ] - [ 0.0010164300000000, 0.0000101600000000, -0.0033283400000000 ] - [ -0.0000404200000000, 0.0000168600000000, -0.0028957200000000 ] - [ 0.0000061300000000, 0.0001546500000000, -0.0023455500000000 ] - [ 0.0005857600000000, -0.0000010800000000, -0.0024073100000000 ] - [ 0.0001783300000000, -0.0000066000000000, -0.0027766500000000 ] - [ -0.0001696700000000, -0.0000141600000000, -0.0027010100000000 ] - [ -0.0000535700000000, 0.0003063900000000, -0.0021543100000000 ] - [ 0.0000037800000000, -0.0001534900000000, -0.0023409300000000 ] - [ 0.0000169000000000, -0.0000012800000000, -0.0020637800000000 ] - [ -0.0000526200000000, -0.0003058100000000, -0.0021576900000000 ] - [ 0.0004752500000000, 0.0000065500000000, -0.0018163200000000 ] - [ 0.0002576700000000, 0.0000016600000000, -0.0028872600000000 ] - [ -0.0004825300000000, 0.0006522300000000, -0.0019798200000000 ] - [ -0.0002244000000000, -0.0005721500000000, -0.0016336100000000 ] - [ -0.0013097000000000, -0.0003963000000000, -0.0022514800000000 ] - [ -0.0028784800000000, -0.0020009200000000, -0.0038879000000000 ] - [ 0.0005468900000000, 0.0004156500000000, -0.0019924500000000 ] - [ 0.0004282900000000, 0.0000131500000000, -0.0020926400000000 ] - [ 0.0047104800000000, 0.0003110000000000, 0.0052958900000000 ] - [ 0.0032072300000000, -0.0000750400000000, -0.0014572100000000 ] - [ 0.0001948900000000, -0.0000189500000000, -0.0021053900000000 ] - [ -0.0002769600000000, -0.0002183200000000, 0.0005703000000000 ] - [ -0.0034936000000000, 0.0011772500000000, 0.0080394400000000 ] - [ 0.0037097700000000, -0.0000654800000000, 0.0063060800000000 ] - [ -0.0056951300000000, -0.0018419600000000, 0.0061330100000000 ] - [ -0.0004951700000000, 0.0002210400000000, 0.0006990300000000 ] - [ -0.0006691800000000, 0.0001147800000000, 0.0005120900000000 ] - [ -0.0052791500000000, -0.0017634000000000, 0.0064568400000000 ] - [ -0.0026196200000000, 0.0010792700000000, 0.0079732800000000 ] - [ -0.0004452700000000, -0.0001186700000000, 0.0004383800000000 ] - [ -0.0035393600000000, -0.0003140500000000, 0.0083516300000000 ] - [ -0.0004191200000000, 0.0005158200000000, -0.0037272100000000 ] - [ -0.0025554000000000, 0.0022210900000000, -0.0042840200000000 ] - [ 0.0043615100000000, 0.0005275700000000, 0.0051696400000000 ] - [ -0.0001258300000000, -0.0000440200000000, -0.0026725500000000 ] - [ 0.0006095300000000, 0.0000374600000000, -0.0021597900000000 ] - [ 0.0030363000000000, 0.0001303000000000, -0.0021230900000000 ] - [ -0.0009580100000000, -0.0000090000000000, -0.0030395400000000 ] - [ 0.0001543400000000, 0.0000031000000000, -0.0024292900000000 ] - [ 0.0000991400000000, 0.0000419400000000, -0.0023715800000000 ] - [ -0.0010642600000000, 0.0000273700000000, -0.0033218400000000 ] - [ -0.0003518000000000, 0.0000137100000000, -0.0028295100000000 ] - [ 0.0000308900000000, 0.0001602400000000, -0.0024473500000000 ] - [ 0.0004986100000000, -0.0000010500000000, -0.0024791700000000 ] - [ -0.0000524000000000, -0.0000052200000000, -0.0026801700000000 ] - [ 0.0000810900000000, -0.0000192900000000, -0.0029744300000000 ] - [ -0.0000885500000000, 0.0003000100000000, -0.0021084200000000 ] - [ 0.0000294200000000, -0.0001592500000000, -0.0024428500000000 ] - [ 0.0001344800000000, -0.0000008200000000, -0.0020176500000000 ] - [ -0.0000864100000000, -0.0002992800000000, -0.0021128800000000 ] - [ 0.0007531000000000, 0.0000089400000000, -0.0020637100000000 ] - [ 0.0001441700000000, 0.0000024800000000, -0.0029674700000000 ] - [ -0.0002074500000000, 0.0005765500000000, -0.0016595800000000 ] - [ -0.0004777900000000, -0.0006458100000000, -0.0019471500000000 ]- atom: 6 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0009290200000000, -0.0002787300000000, -0.0044466600000000 ] - [ 0.0026698500000000, 0.0014626400000000, -0.0059666100000000 ] - [ 0.0019466400000000, 0.0000008500000000, -0.0020948400000000 ] - [ 0.0158224300000000, -0.0002269400000000, 0.0031364700000000 ] - [ -0.0028572600000000, -0.0001227300000000, -0.0060852100000000 ] - [ 0.0213134300000000, 0.0197307900000000, 0.2035872700000000 ] - [ -0.0134413800000000, 0.0262473500000000, -0.0239528700000000 ] - [ -0.0104437100000000, -0.0013470900000000, 0.0516873100000000 ] - [ 0.0070606300000000, -0.0073434200000000, -0.0165706200000000 ] - [ 0.0011778600000000, 0.0004256400000000, 0.0030327200000000 ] - [ 0.0012863500000000, 0.0000594900000000, -0.0024295800000000 ] - [ 0.0004547000000000, 0.0000099400000000, -0.0039362600000000 ] - [ -0.0156842300000000, -0.0146150200000000, 0.0003555400000000 ] - [ -0.0004908600000000, 0.0000751900000000, -0.0052026600000000 ] - [ 0.0015104300000000, -0.0000547800000000, -0.0023298000000000 ] - [ -0.0020817600000000, 0.0000820400000000, -0.0021698300000000 ] - [ 0.0000137500000000, -0.0002487800000000, -0.0035810800000000 ] - [ -0.0001110600000000, 0.0000101200000000, -0.0032081600000000 ] - [ 0.0000698200000000, 0.0001306900000000, -0.0032014300000000 ] - [ 0.0002072200000000, 0.0000028000000000, -0.0037154400000000 ] - [ 0.0000269200000000, 0.0002492100000000, -0.0035638800000000 ] - [ -0.0003030800000000, -0.0001307800000000, -0.0031484400000000 ] - [ 0.0001972900000000, -0.0000020800000000, -0.0034258500000000 ] - [ 0.0000644900000000, -0.0000132400000000, -0.0038115100000000 ] - [ -0.0005550900000000, -0.0000745000000000, -0.0033123800000000 ] - [ -0.0024101100000000, 0.0001054600000000, -0.0022014600000000 ] - [ -0.0011858400000000, 0.0000528200000000, -0.0039566500000000 ] - [ -0.0153533500000000, -0.0142029300000000, -0.0000805900000000 ] - [ 0.0017045300000000, 0.0000069100000000, -0.0022410000000000 ] - [ 0.0002169100000000, -0.0004669900000000, 0.0160148200000000 ] - [ 0.0018135900000000, 0.0005458000000000, 0.0039200800000000 ] - [ -0.0023102200000000, 0.0003786400000000, 0.0159089600000000 ] - [ -0.0044714300000000, 0.0009463700000000, 0.0023836400000000 ] - [ -0.0102744600000000, 0.0236781400000000, -0.0243594600000000 ] - [ -0.0025235700000000, -0.0004710300000000, -0.0067595600000000 ] - [ 0.0003319400000000, 0.0000116400000000, -0.0036818700000000 ] - [ 0.0161561500000000, 0.0000827200000000, 0.0031008300000000 ] - [ 0.0005214500000000, 0.0001255600000000, -0.0047324800000000 ] - [ -0.0008246200000000, 0.0004477200000000, -0.0044831900000000 ] - [ 0.0034128200000000, 0.0015146600000000, -0.0055954300000000 ] - [ -0.0002523200000000, -0.0002636100000000, -0.0036225300000000 ] - [ -0.0000986200000000, 0.0000108300000000, -0.0035244300000000 ] - [ -0.0002917200000000, 0.0001306700000000, -0.0031355200000000 ] - [ 0.0002139600000000, 0.0000028200000000, -0.0037486400000000 ] - [ -0.0002412700000000, 0.0002638500000000, -0.0036111300000000 ] - [ 0.0000574100000000, -0.0001308100000000, -0.0032280500000000 ] - [ 0.0001920400000000, -0.0000014900000000, -0.0035193800000000 ] - [ 0.0000238600000000, -0.0000268000000000, -0.0049420900000000 ] - [ 0.0064432800000000, -0.0068756700000000, -0.0119697500000000 ] - [ -0.0000184500000000, -0.0000122900000000, -0.0024595300000000 ] - [ 0.0001399000000000, -0.0000048400000000, -0.0023436900000000 ] - [ 0.0006057400000000, -0.0001665800000000, -0.0035523300000000 ] - [ -0.0037921500000000, 0.0010094600000000, 0.0010999000000000 ] - [ 0.0000820100000000, -0.0000142600000000, -0.0031714700000000 ] - [ 0.0001220000000000, -0.0000048500000000, -0.0024567100000000 ] - [ -0.0005947600000000, -0.0000357800000000, -0.0028117300000000 ] - [ -0.0010295600000000, 0.0006116000000000, 0.0026873300000000 ] - [ -0.0030368600000000, -0.0000614300000000, 0.0014714200000000 ] - [ 0.0011541800000000, -0.0004115400000000, 0.0021778400000000 ] - [ -0.0005561500000000, 0.0003761500000000, 0.0025812500000000 ] - [ -0.0087199000000000, 0.0046895900000000, -0.0255101900000000 ] - [ 0.0029767100000000, -0.0022485100000000, 0.0031005700000000 ] - [ 0.0002797900000000, -0.0003673300000000, 0.0042034000000000 ] - [ -0.0006729700000000, -0.0010373300000000, 0.0076384300000000 ] - [ 0.0155872800000000, -0.0279588000000000, -0.0475982900000000 ] - [ 0.0027103100000000, 0.0019135300000000, -0.0102879300000000 ] - [ -0.0050916700000000, -0.0023583000000000, -0.0243970700000000 ] - [ 0.0008671900000000, -0.0002044700000000, 0.0031004000000000 ] - [ 0.0003354400000000, -0.0005424600000000, 0.0029614300000000 ] - [ -0.0056910600000000, -0.0017927700000000, -0.0231050800000000 ] - [ 0.0070229200000000, -0.0087342100000000, -0.0341160000000000 ] - [ -0.0009481900000000, -0.0007925400000000, 0.0076545200000000 ] - [ -0.0037336200000000, -0.0000507500000000, -0.0063175600000000 ] - [ -0.0002827400000000, 0.0000139600000000, 0.0015391500000000 ] - [ -0.0024045500000000, 0.0001386600000000, 0.0002789600000000 ] - [ -0.0051992100000000, 0.0059643800000000, -0.0211646900000000 ] - [ -0.0001143500000000, -0.0000522000000000, 0.0026295200000000 ] - [ 0.0005778400000000, 0.0002105000000000, 0.0031846400000000 ] - [ 0.0029925600000000, 0.0020470200000000, 0.0040483600000000 ] - [ -0.0008140000000000, -0.0001418800000000, 0.0018850200000000 ] - [ 0.0001571000000000, -0.0000028900000000, 0.0028467100000000 ] - [ 0.0000821500000000, 0.0000352000000000, 0.0030136000000000 ] - [ -0.0011868300000000, 0.0000520200000000, 0.0023091400000000 ] - [ -0.0003483000000000, -0.0000166600000000, 0.0024987300000000 ] - [ 0.0000347900000000, 0.0001714100000000, 0.0027485400000000 ] - [ 0.0002283100000000, 0.0000012600000000, 0.0026985100000000 ] - [ -0.0000497700000000, 0.0000068900000000, 0.0025048600000000 ] - [ 0.0000816300000000, 0.0000143400000000, 0.0034429300000000 ] - [ 0.0000422300000000, 0.0000663900000000, 0.0030648300000000 ] - [ 0.0000371800000000, -0.0001724800000000, 0.0027438300000000 ] - [ 0.0001163300000000, 0.0000014400000000, 0.0031711800000000 ] - [ 0.0000411400000000, -0.0000666100000000, 0.0030681700000000 ] - [ -0.0003602700000000, -0.0000063100000000, 0.0024894200000000 ] - [ 0.0001454300000000, -0.0000015300000000, 0.0029668000000000 ] - [ 0.0003442800000000, -0.0004035400000000, 0.0029426500000000 ] - [ 0.0000849500000000, 0.0003235600000000, 0.0025946200000000 ] - [ 0.0012965800000000, 0.0004703400000000, 0.0024646100000000 ] - [ 0.0026847800000000, 0.0019955300000000, 0.0033508600000000 ] - [ -0.0005656600000000, -0.0004896000000000, 0.0022042500000000 ] - [ -0.0011129800000000, -0.0000131200000000, 0.0010655500000000 ] - [ -0.0049588400000000, -0.0005345700000000, -0.0059623600000000 ] - [ -0.0035935100000000, 0.0000826700000000, 0.0014595300000000 ] - [ -0.0006341800000000, 0.0000193500000000, 0.0019703800000000 ] - [ 0.0001100100000000, 0.0002345600000000, -0.0009057200000000 ] - [ 0.0025833500000000, -0.0011759400000000, -0.0087818000000000 ] - [ -0.0039596800000000, 0.0002875800000000, -0.0069790600000000 ] - [ 0.0055330600000000, 0.0018396200000000, -0.0065901300000000 ] - [ 0.0003276600000000, -0.0002371800000000, -0.0010359200000000 ] - [ 0.0006192300000000, -0.0000289200000000, -0.0006193200000000 ] - [ 0.0056682000000000, 0.0017651900000000, -0.0066181400000000 ] - [ 0.0032019400000000, -0.0010779400000000, -0.0077542400000000 ] - [ 0.0003946300000000, 0.0000334500000000, -0.0005464800000000 ] - [ 0.0034481800000000, 0.0000193600000000, -0.0082945700000000 ] - [ 0.0003101100000000, -0.0005070600000000, 0.0038449100000000 ] - [ 0.0021765400000000, -0.0022228000000000, 0.0036080100000000 ] - [ -0.0044837600000000, -0.0002320400000000, -0.0051235500000000 ] - [ 0.0000843800000000, -0.0000415400000000, 0.0029738400000000 ] - [ -0.0003423000000000, -0.0000369300000000, 0.0016774500000000 ] - [ -0.0026927600000000, -0.0001224600000000, 0.0017019800000000 ] - [ 0.0007757900000000, -0.0000523300000000, 0.0020231300000000 ] - [ 0.0000642400000000, -0.0000028700000000, 0.0027390000000000 ] - [ -0.0001394700000000, 0.0000439600000000, 0.0026736300000000 ] - [ 0.0008831500000000, 0.0000342000000000, 0.0023070900000000 ] - [ -0.0000378200000000, -0.0000136500000000, 0.0024330700000000 ] - [ 0.0000097400000000, 0.0001658000000000, 0.0028507300000000 ] - [ 0.0003149600000000, 0.0000012500000000, 0.0027704600000000 ] - [ 0.0001799400000000, 0.0000054300000000, 0.0024090800000000 ] - [ -0.0001704500000000, 0.0000195400000000, 0.0037178900000000 ] - [ 0.0000769200000000, 0.0000728600000000, 0.0030193400000000 ] - [ 0.0000112000000000, -0.0001666600000000, 0.0028461700000000 ] - [ -0.0000020300000000, 0.0000010500000000, 0.0031249700000000 ] - [ 0.0000746600000000, -0.0000730700000000, 0.0030237100000000 ] - [ -0.0006394800000000, -0.0000087600000000, 0.0027382300000000 ] - [ 0.0002596300000000, -0.0000023100000000, 0.0030471700000000 ] - [ 0.0000678200000000, -0.0003276500000000, 0.0026209700000000 ] - [ 0.0003393900000000, 0.0003974700000000, 0.0029095400000000 ]- atom: 7 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0003516200000000, 0.0000000000000000, -0.0038364400000000 ] - [ 0.0063893700000000, 0.0000000000000000, -0.0219786000000000 ] - [ 0.0073127700000000, -0.0016691900000000, -0.0021913100000000 ] - [ 0.0267874700000000, 0.0000000000000000, -0.0023516200000000 ] - [ -0.0217700400000000, 0.0131969700000000, 0.0128015400000000 ] - [ -0.0206796100000000, -0.0175481000000000, 0.0163705900000000 ] - [ -0.1514871200000000, 0.0000000000000000, -0.0110257100000000 ] - [ -0.0206796100000000, 0.0175481000000000, 0.0163705900000000 ] - [ 0.0038483400000000, 0.0000000000000000, 0.0010102800000000 ] - [ 0.0010639400000000, 0.0000000000000000, -0.0019905200000000 ] - [ 0.0001056000000000, -0.0000014300000000, -0.0007909400000000 ] - [ -0.0000549600000000, 0.0000000000000000, -0.0000069200000000 ] - [ 0.0045025000000000, 0.0000000000000000, 0.0037124400000000 ] - [ 0.0000628700000000, 0.0000000000000000, -0.0000231600000000 ] - [ 0.0001056000000000, 0.0000014300000000, -0.0007909400000000 ] - [ 0.0011655100000000, 0.0000000000000000, -0.0001819500000000 ] - [ 0.0000510600000000, 0.0000554500000000, 0.0001591000000000 ] - [ 0.0007120600000000, 0.0000000000000000, 0.0005766200000000 ] - [ 0.0002643800000000, -0.0000621300000000, -0.0000568700000000 ] - [ 0.0001609400000000, 0.0000000000000000, 0.0008941500000000 ] - [ 0.0000510600000000, -0.0000554500000000, 0.0001591000000000 ] - [ -0.0006464800000000, -0.0001446100000000, 0.0014280500000000 ] - [ 0.0003081100000000, 0.0000000000000000, 0.0004516000000000 ] - [ 0.0017254800000000, 0.0000000000000000, 0.0003942800000000 ] - [ 0.0043918500000000, 0.0000000000000000, 0.0047378500000000 ] - [ 0.0050004300000000, 0.0000000000000000, 0.0015097400000000 ] - [ -0.0217700400000000, -0.0131969700000000, 0.0128015400000000 ] - [ 0.0068854900000000, 0.0000000000000000, -0.0025941400000000 ] - [ 0.0073127700000000, 0.0016691900000000, -0.0021913100000000 ] - [ 0.0068320300000000, -0.0024153600000000, -0.0028988700000000 ] - [ 0.0079977000000000, 0.0000000000000000, -0.0019871700000000 ] - [ 0.0068320300000000, 0.0024153600000000, -0.0028988700000000 ] - [ 0.0290482500000000, 0.0000000000000000, 0.0013564200000000 ] - [ -0.0029262200000000, 0.0000000000000000, 0.0017579400000000 ] - [ -0.0000181300000000, 0.0000313700000000, 0.0004334100000000 ] - [ 0.0001216800000000, 0.0000000000000000, -0.0001284500000000 ] - [ -0.0005131800000000, 0.0000000000000000, -0.0033276900000000 ] - [ -0.0000343400000000, 0.0000000000000000, -0.0002688400000000 ] - [ -0.0000181300000000, -0.0000313700000000, 0.0004334100000000 ] - [ -0.0004477800000000, 0.0000000000000000, -0.0000513400000000 ] - [ 0.0000748700000000, 0.0000571500000000, 0.0001378200000000 ] - [ -0.0008716000000000, 0.0000000000000000, 0.0000326000000000 ] - [ -0.0006464800000000, 0.0001446100000000, 0.0014280500000000 ] - [ 0.0002212100000000, 0.0000000000000000, 0.0005400500000000 ] - [ 0.0000748700000000, -0.0000571500000000, 0.0001378200000000 ] - [ 0.0002643800000000, 0.0000621300000000, -0.0000568700000000 ] - [ 0.0000934000000000, 0.0000000000000000, 0.0006170600000000 ] - [ -0.0010981700000000, 0.0000000000000000, -0.0002763100000000 ] - [ -0.0013261100000000, 0.0000000000000000, 0.0001904400000000 ] - [ 0.0000892100000000, 0.0000000000000000, 0.0000483500000000 ] - [ 0.0003562300000000, 0.0000000000000000, 0.0006813900000000 ] - [ -0.0001863500000000, 0.0000000000000000, -0.0001167200000000 ] - [ 0.0012697200000000, 0.0000000000000000, -0.0003975400000000 ] - [ -0.0000286700000000, 0.0000000000000000, 0.0002124900000000 ] - [ -0.0000487600000000, 0.0000000000000000, 0.0005771900000000 ] - [ 0.0001940300000000, 0.0000000000000000, -0.0001661800000000 ] - [ -0.0014717400000000, 0.0007732400000000, 0.0028553300000000 ] - [ -0.0076759000000000, 0.0000000000000000, 0.0052241400000000 ] - [ -0.0024272300000000, -0.0022279800000000, -0.0052723100000000 ] - [ 0.0049932100000000, 0.0000000000000000, 0.0032591800000000 ] - [ 0.0318666200000000, 0.0246731700000000, -0.0107404500000000 ] - [ 0.0296482100000000, 0.0000000000000000, 0.0012282100000000 ] - [ 0.0074438800000000, 0.0000000000000000, -0.0001539500000000 ] - [ 0.0201773200000000, 0.0020051500000000, 0.0041002700000000 ] - [ 0.0075474300000000, 0.0000000000000000, -0.0033683900000000 ] - [ 0.0318666200000000, -0.0246731700000000, -0.0107404500000000 ] - [ 0.0236628500000000, 0.0000000000000000, -0.0019208500000000 ] - [ 0.0201773200000000, -0.0020051500000000, 0.0041002700000000 ] - [ 0.0007418500000000, -0.0001598000000000, -0.0005702900000000 ] - [ 0.0048424100000000, 0.0000000000000000, 0.0027890400000000 ] - [ 0.0094041000000000, 0.0000000000000000, -0.0046773600000000 ] - [ 0.0007418500000000, 0.0001598000000000, -0.0005702900000000 ] - [ -0.0004550100000000, -0.0001507900000000, 0.0022784900000000 ] - [ -0.0001093100000000, 0.0000000000000000, 0.0001873700000000 ] - [ 0.0002140000000000, 0.0000000000000000, 0.0001026900000000 ] - [ -0.0001524400000000, 0.0021725200000000, -0.0046746000000000 ] - [ -0.0000300600000000, -0.0000443300000000, 0.0000944400000000 ] - [ 0.0001751400000000, 0.0000000000000000, -0.0005068800000000 ] - [ -0.0004921400000000, 0.0000000000000000, -0.0011147700000000 ] - [ 0.0001298400000000, -0.0000440500000000, -0.0004884100000000 ] - [ 0.0001474300000000, 0.0000000000000000, 0.0000569700000000 ] - [ -0.0000085000000000, 0.0000446600000000, -0.0000026900000000 ] - [ 0.0001298400000000, 0.0000440500000000, -0.0004884100000000 ] - [ -0.0001546800000000, 0.0000000000000000, -0.0002985200000000 ] - [ -0.0001495000000000, 0.0001592200000000, -0.0001581900000000 ] - [ 0.0003621000000000, 0.0000000000000000, 0.0000076200000000 ] - [ 0.0001021600000000, 0.0000000000000000, -0.0002495900000000 ] - [ -0.0005083000000000, 0.0000000000000000, -0.0010217200000000 ] - [ 0.0000250300000000, 0.0001888900000000, 0.0002998800000000 ] - [ -0.0001495000000000, -0.0001592200000000, -0.0001581900000000 ] - [ 0.0002453900000000, 0.0000000000000000, 0.0003193700000000 ] - [ 0.0000250300000000, -0.0001888900000000, 0.0002998800000000 ] - [ -0.0000741700000000, 0.0000000000000000, -0.0005725000000000 ] - [ 0.0000510300000000, 0.0000000000000000, 0.0000412500000000 ] - [ 0.0007072400000000, 0.0002565400000000, 0.0004621600000000 ] - [ -0.0007469400000000, -0.0000957200000000, 0.0005334500000000 ] - [ -0.0024272300000000, 0.0022279800000000, -0.0052723100000000 ] - [ 0.0034615100000000, 0.0000000000000000, -0.0051278700000000 ] - [ -0.0014717400000000, -0.0007732400000000, 0.0028553300000000 ] - [ -0.0042948300000000, 0.0000000000000000, 0.0005398800000000 ] - [ -0.0087945800000000, -0.0025482500000000, -0.0009684500000000 ] - [ -0.0061927700000000, 0.0000000000000000, 0.0013746500000000 ] - [ -0.0032782000000000, 0.0000000000000000, -0.0004308600000000 ] - [ -0.0070429400000000, 0.0018659300000000, -0.0007510300000000 ] - [ -0.0026160100000000, 0.0000000000000000, 0.0000659000000000 ] - [ -0.0087945800000000, 0.0025482500000000, -0.0009684500000000 ] - [ -0.0057556100000000, 0.0000000000000000, 0.0015419100000000 ] - [ -0.0070429400000000, -0.0018659300000000, -0.0007510300000000 ] - [ -0.0005527800000000, 0.0000899300000000, 0.0004345200000000 ] - [ -0.0032329000000000, 0.0000000000000000, 0.0011841900000000 ] - [ -0.0091537400000000, 0.0000000000000000, 0.0065289400000000 ] - [ -0.0005527800000000, -0.0000899300000000, 0.0004345200000000 ] - [ -0.0001524400000000, -0.0021725200000000, -0.0046746000000000 ] - [ 0.0000610900000000, 0.0000000000000000, -0.0002804100000000 ] - [ -0.0005772300000000, 0.0000000000000000, -0.0014761300000000 ] - [ -0.0004550100000000, 0.0001507900000000, 0.0022784900000000 ] - [ -0.0000085000000000, -0.0000446600000000, -0.0000026900000000 ] - [ 0.0001029300000000, 0.0000000000000000, -0.0001233700000000 ] - [ 0.0006031500000000, 0.0000000000000000, 0.0005383400000000 ] - [ -0.0003136800000000, -0.0000407400000000, -0.0007618300000000 ] - [ 0.0000693100000000, 0.0000000000000000, 0.0000424000000000 ] - [ -0.0000300600000000, 0.0000443300000000, 0.0000944400000000 ] - [ -0.0003136800000000, 0.0000407400000000, -0.0007618300000000 ] - [ -0.0002324400000000, 0.0000000000000000, -0.0003169700000000 ] - [ 0.0001699500000000, 0.0001943500000000, 0.0003206500000000 ] - [ 0.0004623600000000, 0.0000000000000000, 0.0000684500000000 ] - [ 0.0000251100000000, 0.0000000000000000, -0.0002271400000000 ] - [ 0.0000949300000000, 0.0000000000000000, 0.0015185900000000 ] - [ -0.0000388800000000, 0.0001950900000000, 0.0004081500000000 ] - [ 0.0001699500000000, -0.0001943500000000, 0.0003206500000000 ] - [ -0.0000855200000000, 0.0000000000000000, 0.0006484300000000 ] - [ -0.0000388800000000, -0.0001950900000000, 0.0004081500000000 ] - [ 0.0002622600000000, 0.0000000000000000, 0.0006264400000000 ] - [ 0.0004076200000000, 0.0000000000000000, -0.0002014000000000 ] - [ -0.0007469400000000, 0.0000957200000000, 0.0005334500000000 ] - [ 0.0007072400000000, -0.0002565400000000, 0.0004621600000000 ]- atom: 7 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0000725900000000, 0.0000000000000000, 0.0044465500000000 ] - [ -0.0065591600000000, 0.0000000000000000, 0.0210704400000000 ] - [ -0.0071585500000000, 0.0017280900000000, 0.0020905400000000 ] - [ -0.0268757600000000, 0.0000000000000000, 0.0017273200000000 ] - [ 0.0220158400000000, -0.0132757100000000, -0.0128422000000000 ] - [ 0.0204705800000000, 0.0175369600000000, -0.0163383000000000 ] - [ 0.1499075500000000, 0.0000000000000000, 0.0117060900000000 ] - [ 0.0204705800000000, -0.0175369600000000, -0.0163383000000000 ] - [ -0.0041365800000000, 0.0000000000000000, -0.0009617600000000 ] - [ -0.0010611000000000, 0.0000000000000000, 0.0019564000000000 ] - [ 0.0000937800000000, -0.0001458700000000, 0.0000525000000000 ] - [ 0.0001480500000000, 0.0000000000000000, -0.0004100100000000 ] - [ -0.0039122900000000, 0.0000000000000000, -0.0039404100000000 ] - [ -0.0000070500000000, 0.0000000000000000, -0.0006339800000000 ] - [ 0.0000937800000000, 0.0001458700000000, 0.0000525000000000 ] - [ -0.0004576000000000, 0.0000000000000000, -0.0001440000000000 ] - [ 0.0000660600000000, 0.0000290800000000, -0.0001513700000000 ] - [ -0.0009540100000000, 0.0000000000000000, 0.0000111600000000 ] - [ -0.0004837900000000, 0.0002974000000000, 0.0010078400000000 ] - [ 0.0002531000000000, 0.0000000000000000, 0.0001995700000000 ] - [ 0.0000660600000000, -0.0000290800000000, -0.0001513700000000 ] - [ 0.0004307400000000, -0.0000902200000000, -0.0004776400000000 ] - [ 0.0000858700000000, 0.0000000000000000, 0.0003097300000000 ] - [ -0.0016613800000000, 0.0000000000000000, -0.0006491300000000 ] - [ -0.0040901400000000, 0.0000000000000000, -0.0041432300000000 ] - [ -0.0051085800000000, 0.0000000000000000, -0.0023054700000000 ] - [ 0.0220158400000000, 0.0132757100000000, -0.0128422000000000 ] - [ -0.0069850800000000, 0.0000000000000000, 0.0019213100000000 ] - [ -0.0071585500000000, -0.0017280900000000, 0.0020905400000000 ] - [ -0.0068779800000000, 0.0024721600000000, 0.0029577200000000 ] - [ -0.0081945400000000, 0.0000000000000000, 0.0021375000000000 ] - [ -0.0068779800000000, -0.0024721600000000, 0.0029577200000000 ] - [ -0.0294540500000000, 0.0000000000000000, -0.0013961800000000 ] - [ 0.0029031500000000, 0.0000000000000000, -0.0018052300000000 ] - [ 0.0002111100000000, -0.0001796200000000, -0.0011726400000000 ] - [ -0.0000286000000000, 0.0000000000000000, -0.0002884700000000 ] - [ 0.0011471300000000, 0.0000000000000000, 0.0030774800000000 ] - [ 0.0000915500000000, 0.0000000000000000, -0.0003887800000000 ] - [ 0.0002111100000000, 0.0001796200000000, -0.0011726400000000 ] - [ 0.0011586700000000, 0.0000000000000000, -0.0002809500000000 ] - [ 0.0000418300000000, 0.0000274200000000, -0.0001297600000000 ] - [ 0.0006292600000000, 0.0000000000000000, 0.0005589500000000 ] - [ 0.0004307400000000, 0.0000902200000000, -0.0004776400000000 ] - [ 0.0001921900000000, 0.0000000000000000, 0.0005542100000000 ] - [ 0.0000418300000000, -0.0000274200000000, -0.0001297600000000 ] - [ -0.0004837900000000, -0.0002974000000000, 0.0010078400000000 ] - [ 0.0003007300000000, 0.0000000000000000, 0.0001447500000000 ] - [ 0.0011611700000000, 0.0000000000000000, 0.0000301500000000 ] - [ 0.0011597900000000, 0.0000000000000000, -0.0006185600000000 ] - [ -0.0000315300000000, 0.0000000000000000, -0.0000135600000000 ] - [ -0.0000925800000000, 0.0000000000000000, 0.0003438600000000 ] - [ 0.0001650900000000, 0.0000000000000000, -0.0004051800000000 ] - [ -0.0014389100000000, 0.0000000000000000, -0.0000201500000000 ] - [ 0.0000862500000000, 0.0000000000000000, -0.0001782800000000 ] - [ 0.0003124100000000, 0.0000000000000000, 0.0004489500000000 ] - [ -0.0002162800000000, 0.0000000000000000, -0.0003547600000000 ] - [ 0.0014819000000000, -0.0006904800000000, -0.0026461900000000 ] - [ 0.0074542300000000, 0.0000000000000000, -0.0056994000000000 ] - [ 0.0024072500000000, 0.0021437100000000, 0.0054824500000000 ] - [ -0.0056923500000000, 0.0000000000000000, -0.0042948800000000 ] - [ -0.0319273200000000, -0.0250752200000000, 0.0101752200000000 ] - [ -0.0318328500000000, 0.0000000000000000, -0.0026551000000000 ] - [ -0.0079018800000000, 0.0000000000000000, 0.0000270200000000 ] - [ -0.0201019400000000, -0.0021924300000000, -0.0046182100000000 ] - [ -0.0084142600000000, 0.0000000000000000, 0.0026375300000000 ] - [ -0.0319273200000000, 0.0250752200000000, 0.0101752200000000 ] - [ -0.0214390900000000, 0.0000000000000000, 0.0026957000000000 ] - [ -0.0201019400000000, 0.0021924300000000, -0.0046182100000000 ] - [ -0.0007875800000000, 0.0002439300000000, 0.0004611900000000 ] - [ -0.0044267300000000, 0.0000000000000000, -0.0029191000000000 ] - [ -0.0087824400000000, 0.0000000000000000, 0.0048974100000000 ] - [ -0.0007875800000000, -0.0002439300000000, 0.0004611900000000 ] - [ 0.0003314000000000, -0.0001346200000000, -0.0022400400000000 ] - [ 0.0000046100000000, 0.0000000000000000, -0.0000611000000000 ] - [ -0.0005824100000000, 0.0000000000000000, -0.0007865200000000 ] - [ 0.0000552000000000, -0.0018770400000000, 0.0047162900000000 ] - [ -0.0000112500000000, -0.0000416100000000, 0.0002078900000000 ] - [ 0.0000924300000000, 0.0000000000000000, 0.0000216600000000 ] - [ 0.0008365400000000, 0.0000000000000000, 0.0006717800000000 ] - [ -0.0003093200000000, -0.0000168100000000, -0.0005275900000000 ] - [ 0.0000709100000000, 0.0000000000000000, 0.0002520100000000 ] - [ -0.0000327700000000, 0.0000415700000000, 0.0003050200000000 ] - [ -0.0003093200000000, 0.0000168100000000, -0.0005275900000000 ] - [ -0.0002344000000000, 0.0000000000000000, -0.0000978800000000 ] - [ 0.0001900900000000, 0.0001669400000000, 0.0005609700000000 ] - [ 0.0004520400000000, 0.0000000000000000, 0.0002831100000000 ] - [ 0.0000258100000000, 0.0000000000000000, -0.0000216300000000 ] - [ 0.0004176200000000, 0.0000000000000000, 0.0017659600000000 ] - [ -0.0000367900000000, 0.0001838600000000, 0.0006102800000000 ] - [ 0.0001900900000000, -0.0001669400000000, 0.0005609700000000 ] - [ -0.0001133000000000, 0.0000000000000000, 0.0007869800000000 ] - [ -0.0000367900000000, -0.0001838600000000, 0.0006102800000000 ] - [ 0.0001871500000000, 0.0000000000000000, 0.0012464600000000 ] - [ 0.0003527500000000, 0.0000000000000000, 0.0000376900000000 ] - [ -0.0008474100000000, -0.0000075600000000, 0.0004970800000000 ] - [ 0.0006093900000000, -0.0001528900000000, 0.0004292600000000 ] - [ 0.0024072500000000, -0.0021437100000000, 0.0054824500000000 ] - [ -0.0037004900000000, 0.0000000000000000, 0.0045862300000000 ] - [ 0.0014819000000000, 0.0006904800000000, -0.0026461900000000 ] - [ 0.0036003400000000, 0.0000000000000000, -0.0015504600000000 ] - [ 0.0085494000000000, 0.0023144000000000, 0.0002938800000000 ] - [ 0.0058312800000000, 0.0000000000000000, -0.0013430900000000 ] - [ 0.0028413300000000, 0.0000000000000000, 0.0003101500000000 ] - [ 0.0068716700000000, -0.0018554100000000, 0.0004391300000000 ] - [ 0.0017128400000000, 0.0000000000000000, -0.0008178600000000 ] - [ 0.0085494000000000, -0.0023144000000000, 0.0002938800000000 ] - [ 0.0055584800000000, 0.0000000000000000, -0.0020050500000000 ] - [ 0.0068716700000000, 0.0018554100000000, 0.0004391300000000 ] - [ 0.0005024500000000, -0.0000047600000000, -0.0005514100000000 ] - [ 0.0036396700000000, 0.0000000000000000, -0.0013703600000000 ] - [ 0.0098207100000000, 0.0000000000000000, -0.0063732800000000 ] - [ 0.0005024500000000, 0.0000047600000000, -0.0005514100000000 ] - [ 0.0000552000000000, 0.0018770400000000, 0.0047162900000000 ] - [ -0.0001638300000000, 0.0000000000000000, 0.0004088400000000 ] - [ 0.0002154300000000, 0.0000000000000000, 0.0007917300000000 ] - [ 0.0003314000000000, 0.0001346200000000, -0.0022400400000000 ] - [ -0.0000327700000000, -0.0000415700000000, 0.0003050200000000 ] - [ 0.0001624800000000, 0.0000000000000000, -0.0003627700000000 ] - [ -0.0002662600000000, 0.0000000000000000, -0.0009774400000000 ] - [ 0.0001358000000000, -0.0000200700000000, -0.0002554300000000 ] - [ 0.0001489800000000, 0.0000000000000000, 0.0002668400000000 ] - [ -0.0000112500000000, 0.0000416100000000, 0.0002078900000000 ] - [ 0.0001358000000000, 0.0000200700000000, -0.0002554300000000 ] - [ -0.0001559200000000, 0.0000000000000000, -0.0000799700000000 ] - [ -0.0001288500000000, 0.0001317700000000, 0.0000811300000000 ] - [ 0.0003516800000000, 0.0000000000000000, 0.0002222600000000 ] - [ 0.0001030600000000, 0.0000000000000000, -0.0000444600000000 ] - [ -0.0001821800000000, 0.0000000000000000, -0.0007777400000000 ] - [ 0.0000272500000000, 0.0001776400000000, 0.0005019800000000 ] - [ -0.0001288500000000, -0.0001317700000000, 0.0000811300000000 ] - [ 0.0002191500000000, 0.0000000000000000, 0.0004579400000000 ] - [ 0.0000272500000000, -0.0001776400000000, 0.0005019800000000 ] - [ -0.0001467600000000, 0.0000000000000000, 0.0000460100000000 ] - [ -0.0000049100000000, 0.0000000000000000, 0.0002793100000000 ] - [ 0.0006093900000000, 0.0001528900000000, 0.0004292600000000 ] - [ -0.0008474100000000, 0.0000075600000000, 0.0004970800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001447100000000, 0.0038336900000000, 0.0003023700000000 ] - [ -0.0000698100000000, -0.0207029100000000, -0.0003674800000000 ] - [ -0.0016105500000000, -0.0000045400000000, -0.0006821400000000 ] - [ -0.0001323700000000, -0.0001574800000000, -0.0003468200000000 ] - [ 0.0127173200000000, 0.0033828500000000, 0.0178850100000000 ] - [ -0.0183452000000000, 0.0047802200000000, -0.0235842100000000 ] - [ 0.0012363000000000, -0.2343452400000000, -0.0023548200000000 ] - [ 0.0183652400000000, 0.0046575000000000, 0.0237722700000000 ] - [ -0.0000005200000000, 0.0345360700000000, -0.0000196500000000 ] - [ -0.0000018100000000, -0.0013384800000000, -0.0000260900000000 ] - [ 0.0001769700000000, -0.0000746200000000, -0.0002670000000000 ] - [ 0.0000465300000000, -0.0000030500000000, -0.0002100400000000 ] - [ 0.0003024800000000, 0.0003313600000000, -0.0001188000000000 ] - [ 0.0000282700000000, -0.0000144600000000, -0.0003305200000000 ] - [ 0.0000192900000000, 0.0000738600000000, -0.0004749400000000 ] - [ 0.0003554800000000, -0.0001307000000000, -0.0001657100000000 ] - [ 0.0000603400000000, 0.0000427200000000, 0.0000045600000000 ] - [ -0.0001215500000000, -0.0001293300000000, 0.0002932800000000 ] - [ -0.0001900800000000, 0.0001186900000000, 0.0003026600000000 ] - [ 0.0002069100000000, -0.0000149100000000, 0.0005449500000000 ] - [ 0.0000566200000000, -0.0000418700000000, 0.0000001100000000 ] - [ -0.0000487900000000, -0.0001151500000000, 0.0005309200000000 ] - [ 0.0001971100000000, 0.0000027700000000, 0.0003785100000000 ] - [ 0.0000322500000000, 0.0002258000000000, -0.0001262900000000 ] - [ 0.0001449200000000, 0.0005057400000000, 0.0003024800000000 ] - [ -0.0000841000000000, -0.0008023000000000, -0.0004000900000000 ] - [ -0.0125961900000000, 0.0033787900000000, -0.0180744700000000 ] - [ -0.0002233000000000, 0.0438743900000000, -0.0002416600000000 ] - [ 0.0017749400000000, -0.0000862600000000, 0.0006122500000000 ] - [ -0.0018898100000000, 0.0000385500000000, -0.0002722400000000 ] - [ -0.0000966700000000, -0.0006520100000000, 0.0000845600000000 ] - [ 0.0018552600000000, 0.0000354100000000, 0.0002892300000000 ] - [ -0.0000670200000000, -0.0024984900000000, 0.0000617500000000 ] - [ -0.0000035500000000, -0.0004801900000000, -0.0000210100000000 ] - [ 0.0001574200000000, -0.0000734200000000, -0.0003259300000000 ] - [ 0.0000466000000000, -0.0000036100000000, -0.0002101100000000 ] - [ 0.0003015000000000, 0.0030638800000000, -0.0001295700000000 ] - [ 0.0000282400000000, -0.0000130100000000, -0.0003307900000000 ] - [ 0.0000383000000000, 0.0000747900000000, -0.0004145100000000 ] - [ 0.0003546100000000, -0.0001010500000000, -0.0001656300000000 ] - [ 0.0000603300000000, 0.0000426100000000, 0.0000046600000000 ] - [ -0.0001214600000000, -0.0001119000000000, 0.0002927300000000 ] - [ -0.0001690300000000, 0.0001190500000000, 0.0004159900000000 ] - [ 0.0002070600000000, -0.0000151400000000, 0.0005448800000000 ] - [ 0.0000566900000000, -0.0000419700000000, 0.0000001600000000 ] - [ -0.0000264100000000, -0.0001153400000000, 0.0006440900000000 ] - [ 0.0001970300000000, 0.0000039300000000, 0.0003785400000000 ] - [ 0.0000328400000000, 0.0002914000000000, -0.0001281000000000 ] - [ -0.0000848900000000, 0.0001226600000000, -0.0002127600000000 ] - [ 0.0000289200000000, -0.0000017300000000, 0.0000158600000000 ] - [ 0.0001319400000000, 0.0000197100000000, 0.0005114300000000 ] - [ -0.0000109300000000, 0.0000167800000000, -0.0002616900000000 ] - [ -0.0000830100000000, 0.0001789200000000, -0.0002128500000000 ] - [ 0.0000288100000000, -0.0000010400000000, 0.0000159500000000 ] - [ 0.0001319200000000, 0.0000161500000000, 0.0005114600000000 ] - [ -0.0000109500000000, 0.0000212100000000, -0.0002617600000000 ] - [ 0.0032013700000000, -0.0005574100000000, -0.0032360600000000 ] - [ -0.0001053000000000, 0.0029136500000000, -0.0002684700000000 ] - [ 0.0003558900000000, 0.0001636700000000, 0.0010775700000000 ] - [ -0.0003554400000000, -0.0055131400000000, -0.0005112200000000 ] - [ 0.0233934700000000, 0.0596363200000000, -0.0355136000000000 ] - [ -0.0000982200000000, 0.0193754800000000, 0.0001021500000000 ] - [ -0.0002081200000000, 0.0045820200000000, -0.0000570900000000 ] - [ 0.0039359000000000, 0.0077725700000000, -0.0082818300000000 ] - [ -0.0004627400000000, 0.0065866000000000, -0.0003731200000000 ] - [ -0.0253143200000000, 0.0634826000000000, 0.0375848500000000 ] - [ -0.0001777900000000, 0.0181376400000000, -0.0002733300000000 ] - [ -0.0037746300000000, 0.0084932900000000, 0.0074987900000000 ] - [ 0.0000176300000000, 0.0000485200000000, 0.0001469100000000 ] - [ 0.0002156500000000, -0.0038064500000000, -0.0000809500000000 ] - [ 0.0002713200000000, -0.0121819200000000, 0.0000809200000000 ] - [ -0.0000654600000000, -0.0000359400000000, -0.0002627200000000 ] - [ -0.0012978100000000, 0.0002626400000000, 0.0016284400000000 ] - [ -0.0000519300000000, 0.0000396800000000, 0.0000635300000000 ] - [ -0.0001822400000000, 0.0001740000000000, -0.0003427800000000 ] - [ -0.0002141100000000, 0.0002957800000000, -0.0004008600000000 ] - [ -0.0000213700000000, -0.0000428600000000, 0.0001539000000000 ] - [ 0.0001324600000000, -0.0000144300000000, -0.0002422900000000 ] - [ 0.0001702600000000, -0.0000298000000000, -0.0002198900000000 ] - [ -0.0000942200000000, -0.0000269900000000, -0.0004854300000000 ] - [ 0.0001091300000000, -0.0000005300000000, 0.0001562100000000 ] - [ -0.0000203200000000, 0.0000448800000000, 0.0001480300000000 ] - [ -0.0000834700000000, 0.0000351800000000, -0.0005295800000000 ] - [ -0.0001935500000000, 0.0000017500000000, -0.0001980200000000 ] - [ 0.0000398300000000, 0.0001697300000000, 0.0001751100000000 ] - [ 0.0004070000000000, 0.0000021100000000, 0.0001463000000000 ] - [ 0.0000640300000000, 0.0000001300000000, -0.0001341400000000 ] - [ -0.0000437700000000, -0.0000726800000000, 0.0003733100000000 ] - [ -0.0000047600000000, 0.0001868100000000, 0.0004522800000000 ] - [ 0.0000008800000000, -0.0001559700000000, 0.0002297600000000 ] - [ 0.0000667600000000, -0.0000174000000000, 0.0005544000000000 ] - [ -0.0000067700000000, -0.0001858500000000, 0.0004598400000000 ] - [ 0.0000571500000000, 0.0000390400000000, 0.0003391500000000 ] - [ 0.0002016700000000, 0.0000249900000000, 0.0000407500000000 ] - [ -0.0001159400000000, 0.0001527200000000, 0.0003005100000000 ] - [ -0.0001794800000000, -0.0000958600000000, 0.0006629900000000 ] - [ -0.0003678100000000, 0.0002596200000000, -0.0008570300000000 ] - [ -0.0000784400000000, -0.0080969200000000, -0.0002297400000000 ] - [ -0.0032213200000000, -0.0006389000000000, 0.0034561800000000 ] - [ -0.0003419600000000, 0.0002189500000000, -0.0005115600000000 ] - [ 0.0000136700000000, -0.0000131900000000, -0.0004776800000000 ] - [ -0.0001956200000000, -0.0025650900000000, 0.0000162500000000 ] - [ -0.0002205100000000, -0.0002713900000000, -0.0000640100000000 ] - [ -0.0001749900000000, 0.0001220800000000, -0.0001053600000000 ] - [ -0.0004518700000000, -0.0001720000000000, -0.0003739000000000 ] - [ -0.0002732200000000, 0.0002018300000000, -0.0001966700000000 ] - [ -0.0000856100000000, -0.0043331000000000, -0.0002411800000000 ] - [ 0.0000037400000000, 0.0000935400000000, -0.0002266700000000 ] - [ -0.0001674700000000, 0.0001010800000000, 0.0002170100000000 ] - [ 0.0001956600000000, 0.0001666300000000, -0.0000828800000000 ] - [ 0.0002858900000000, 0.0028339500000000, 0.0001131700000000 ] - [ 0.0001175500000000, 0.0000168300000000, -0.0003320600000000 ] - [ 0.0001058300000000, 0.0000110600000000, 0.0004399200000000 ] - [ -0.0000517600000000, 0.0000352400000000, 0.0000631600000000 ] - [ -0.0001820600000000, 0.0000557100000000, -0.0003438600000000 ] - [ 0.0011893500000000, 0.0005551900000000, -0.0015822000000000 ] - [ -0.0000220100000000, -0.0000431600000000, 0.0001541700000000 ] - [ 0.0001323900000000, -0.0000154700000000, -0.0002420500000000 ] - [ 0.0001713700000000, -0.0001287900000000, -0.0002185600000000 ] - [ -0.0001074300000000, -0.0000261300000000, -0.0004830000000000 ] - [ 0.0001091700000000, -0.0000005700000000, 0.0001564100000000 ] - [ -0.0000205200000000, 0.0000448600000000, 0.0001482800000000 ] - [ -0.0000707500000000, 0.0000362100000000, -0.0005327100000000 ] - [ -0.0001931900000000, 0.0000020800000000, -0.0001982800000000 ] - [ 0.0000269300000000, 0.0001668500000000, 0.0001723600000000 ] - [ 0.0004069600000000, 0.0000023000000000, 0.0001464100000000 ] - [ 0.0000640200000000, -0.0000001900000000, -0.0001342200000000 ] - [ -0.0000446400000000, -0.0002562700000000, 0.0003735900000000 ] - [ -0.0000048100000000, 0.0001868300000000, 0.0004529100000000 ] - [ 0.0000134700000000, -0.0001587600000000, 0.0002326400000000 ] - [ 0.0000666000000000, -0.0000169600000000, 0.0005542000000000 ] - [ -0.0000068800000000, -0.0001858000000000, 0.0004593100000000 ] - [ 0.0000566600000000, 0.0001228300000000, 0.0003393900000000 ] - [ 0.0002018200000000, 0.0000279500000000, 0.0000407700000000 ] - [ 0.0000404400000000, 0.0001520500000000, 0.0003033200000000 ] - [ -0.0000224000000000, -0.0000948400000000, 0.0006668300000000 ]- atom: 7 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0030443000000000, 0.0000000000000000, 0.0060497400000000 ] - [ -0.0203432300000000, 0.0000000000000000, 0.0130170900000000 ] - [ -0.0016567200000000, -0.0007243000000000, -0.0035203800000000 ] - [ 0.0136721000000000, 0.0000000000000000, -0.0173096500000000 ] - [ 0.0087842300000000, 0.0186384500000000, 0.0200064900000000 ] - [ 0.0145875900000000, -0.0262757500000000, 0.0238167700000000 ] - [ -0.0324726500000000, 0.0000000000000000, -0.2259163500000000 ] - [ 0.0145875900000000, 0.0262757500000000, 0.0238167700000000 ] - [ -0.0068418800000000, 0.0000000000000000, -0.0319495500000000 ] - [ -0.0020769800000000, 0.0000000000000000, 0.0023494700000000 ] - [ -0.0003848300000000, 0.0002371100000000, 0.0028955000000000 ] - [ -0.0002624600000000, 0.0000000000000000, 0.0032179800000000 ] - [ 0.0047660800000000, 0.0000000000000000, 0.0028618200000000 ] - [ 0.0001719500000000, 0.0000000000000000, 0.0040297800000000 ] - [ -0.0003848300000000, -0.0002371100000000, 0.0028955000000000 ] - [ 0.0004817900000000, 0.0000000000000000, 0.0026273200000000 ] - [ 0.0002153500000000, 0.0003258900000000, 0.0033867700000000 ] - [ 0.0000239400000000, 0.0000000000000000, 0.0031537500000000 ] - [ -0.0007348200000000, -0.0000328400000000, 0.0038679200000000 ] - [ 0.0003364700000000, 0.0000000000000000, 0.0045234500000000 ] - [ 0.0002153500000000, -0.0003258900000000, 0.0033867700000000 ] - [ 0.0005900300000000, -0.0000683600000000, 0.0039222200000000 ] - [ 0.0001594400000000, 0.0000000000000000, 0.0039350000000000 ] - [ 0.0002934300000000, 0.0000000000000000, 0.0019197900000000 ] - [ 0.0039464200000000, 0.0000000000000000, 0.0044011900000000 ] - [ 0.0037842100000000, 0.0000000000000000, -0.0038386300000000 ] - [ 0.0087842300000000, -0.0186384500000000, 0.0200064900000000 ] - [ -0.0108133500000000, 0.0000000000000000, -0.0239288900000000 ] - [ -0.0016567200000000, 0.0007243000000000, -0.0035203800000000 ] - [ -0.0017486900000000, -0.0011914200000000, -0.0038729000000000 ] - [ -0.0009772300000000, 0.0000000000000000, -0.0151070500000000 ] - [ -0.0017486900000000, 0.0011914200000000, -0.0038729000000000 ] - [ 0.0160386400000000, 0.0000000000000000, -0.0192772200000000 ] - [ 0.0014829200000000, 0.0000000000000000, 0.0042027600000000 ] - [ 0.0009034400000000, 0.0002311500000000, 0.0032234000000000 ] - [ -0.0002993900000000, 0.0000000000000000, 0.0031432300000000 ] - [ -0.0032361800000000, 0.0000000000000000, 0.0041798200000000 ] - [ -0.0001250000000000, 0.0000000000000000, 0.0040342000000000 ] - [ 0.0009034400000000, -0.0002311500000000, 0.0032234000000000 ] - [ -0.0004376400000000, 0.0000000000000000, 0.0037495300000000 ] - [ 0.0002241100000000, 0.0003267400000000, 0.0034009600000000 ] - [ -0.0004547500000000, 0.0000000000000000, 0.0042282400000000 ] - [ 0.0005900300000000, 0.0000683600000000, 0.0039222200000000 ] - [ 0.0000648900000000, 0.0000000000000000, 0.0046154200000000 ] - [ 0.0002241100000000, -0.0003267400000000, 0.0034009600000000 ] - [ -0.0007348200000000, 0.0000328400000000, 0.0038679200000000 ] - [ 0.0002411200000000, 0.0000000000000000, 0.0041008700000000 ] - [ -0.0001398100000000, 0.0000000000000000, 0.0068027700000000 ] - [ -0.0005085700000000, 0.0000000000000000, 0.0050832700000000 ] - [ 0.0000070100000000, 0.0000000000000000, 0.0026135700000000 ] - [ 0.0001633700000000, 0.0000000000000000, 0.0031009400000000 ] - [ -0.0000856500000000, 0.0000000000000000, 0.0026379500000000 ] - [ 0.0002215800000000, 0.0000000000000000, 0.0008618900000000 ] - [ 0.0000489800000000, 0.0000000000000000, 0.0027632900000000 ] - [ 0.0001097100000000, 0.0000000000000000, 0.0034325500000000 ] - [ 0.0000703600000000, 0.0000000000000000, 0.0023632700000000 ] - [ 0.0040809900000000, -0.0000408700000000, -0.0010832900000000 ] - [ 0.0030053000000000, 0.0000000000000000, 0.0092218400000000 ] - [ -0.0036740500000000, -0.0023814800000000, -0.0022866400000000 ] - [ -0.0014422700000000, 0.0000000000000000, -0.0041908400000000 ] - [ -0.0072645000000000, -0.0359388800000000, 0.0458327600000000 ] - [ 0.0068372300000000, 0.0000000000000000, 0.0318030500000000 ] - [ 0.0008322700000000, 0.0000000000000000, -0.0082271200000000 ] - [ 0.0079242200000000, -0.0079912600000000, 0.0201378500000000 ] - [ -0.0008989200000000, 0.0000000000000000, -0.0124061700000000 ] - [ -0.0072645000000000, 0.0359388800000000, 0.0458327600000000 ] - [ -0.0013015900000000, 0.0000000000000000, 0.0230356300000000 ] - [ 0.0079242200000000, 0.0079912600000000, 0.0201378500000000 ] - [ -0.0004156600000000, -0.0003161600000000, -0.0032678200000000 ] - [ -0.0005177800000000, 0.0000000000000000, -0.0024825600000000 ] - [ -0.0055216600000000, 0.0000000000000000, 0.0105581400000000 ] - [ -0.0004156600000000, 0.0003161600000000, -0.0032678200000000 ] - [ 0.0026097500000000, -0.0004865900000000, -0.0005233800000000 ] - [ 0.0001560600000000, 0.0000000000000000, -0.0022052500000000 ] - [ 0.0008809200000000, 0.0000000000000000, -0.0029080700000000 ] - [ -0.0031697200000000, 0.0017246300000000, -0.0027685900000000 ] - [ 0.0000201800000000, -0.0000420900000000, -0.0023316400000000 ] - [ -0.0000513700000000, 0.0000000000000000, -0.0028569300000000 ] - [ -0.0005774400000000, 0.0000000000000000, -0.0027954400000000 ] - [ 0.0000887500000000, -0.0000272600000000, -0.0030804500000000 ] - [ 0.0001003300000000, 0.0000000000000000, -0.0023623500000000 ] - [ -0.0000550300000000, 0.0000449100000000, -0.0023976700000000 ] - [ 0.0000887500000000, 0.0000272600000000, -0.0030804500000000 ] - [ -0.0001804400000000, 0.0000000000000000, -0.0027402600000000 ] - [ -0.0001012600000000, 0.0001538100000000, -0.0020953900000000 ] - [ 0.0005378900000000, 0.0000000000000000, -0.0022541900000000 ] - [ 0.0000648400000000, 0.0000000000000000, -0.0026007900000000 ] - [ -0.0006264600000000, 0.0000000000000000, -0.0021982200000000 ] - [ -0.0001053300000000, 0.0003042600000000, -0.0020049000000000 ] - [ -0.0001012600000000, -0.0001538100000000, -0.0020953900000000 ] - [ -0.0001596100000000, 0.0000000000000000, -0.0019798500000000 ] - [ -0.0001053300000000, -0.0003042600000000, -0.0020049000000000 ] - [ -0.0000268400000000, 0.0000000000000000, -0.0014952400000000 ] - [ 0.0004138200000000, 0.0000000000000000, -0.0026266200000000 ] - [ -0.0007172500000000, 0.0008499600000000, -0.0023860100000000 ] - [ 0.0000058000000000, -0.0004359000000000, -0.0010590500000000 ] - [ -0.0036740500000000, 0.0023814800000000, -0.0022866400000000 ] - [ -0.0024158900000000, 0.0000000000000000, 0.0119915200000000 ] - [ 0.0040809900000000, 0.0000408700000000, -0.0010832900000000 ] - [ -0.0011625200000000, 0.0000000000000000, 0.0005913300000000 ] - [ -0.0031019400000000, -0.0024884300000000, 0.0053099800000000 ] - [ 0.0041651700000000, 0.0000000000000000, 0.0063609600000000 ] - [ -0.0003726900000000, 0.0000000000000000, 0.0007478200000000 ] - [ -0.0036224600000000, 0.0014526200000000, 0.0053901100000000 ] - [ -0.0004159800000000, 0.0000000000000000, 0.0012792100000000 ] - [ -0.0031019400000000, 0.0024884300000000, 0.0053099800000000 ] - [ 0.0053074000000000, 0.0000000000000000, 0.0055439900000000 ] - [ -0.0036224600000000, -0.0014526200000000, 0.0053901100000000 ] - [ 0.0003080200000000, 0.0000319400000000, -0.0016796200000000 ] - [ -0.0004879300000000, 0.0000000000000000, 0.0012727100000000 ] - [ 0.0004756700000000, 0.0000000000000000, 0.0084977700000000 ] - [ 0.0003080200000000, -0.0000319400000000, -0.0016796200000000 ] - [ -0.0031697200000000, -0.0017246300000000, -0.0027685900000000 ] - [ -0.0002791300000000, 0.0000000000000000, -0.0026913800000000 ] - [ -0.0009001900000000, 0.0000000000000000, -0.0027139600000000 ] - [ 0.0026097500000000, 0.0004865900000000, -0.0005233800000000 ] - [ -0.0000550300000000, -0.0000449100000000, -0.0023976700000000 ] - [ 0.0003339800000000, 0.0000000000000000, -0.0025653400000000 ] - [ 0.0007774000000000, 0.0000000000000000, -0.0029182100000000 ] - [ -0.0002668100000000, -0.0000219100000000, -0.0029009200000000 ] - [ 0.0001157200000000, 0.0000000000000000, -0.0022952700000000 ] - [ 0.0000201800000000, 0.0000420900000000, -0.0023316400000000 ] - [ -0.0002668100000000, 0.0000219100000000, -0.0029009200000000 ] - [ -0.0002109200000000, 0.0000000000000000, -0.0026862900000000 ] - [ 0.0001497700000000, 0.0001950600000000, -0.0023678800000000 ] - [ 0.0005342800000000, 0.0000000000000000, -0.0023337200000000 ] - [ 0.0000594700000000, 0.0000000000000000, -0.0025535500000000 ] - [ 0.0004918000000000, 0.0000000000000000, -0.0026546300000000 ] - [ -0.0000291600000000, 0.0002908700000000, -0.0019621500000000 ] - [ 0.0001497700000000, -0.0001950600000000, -0.0023678800000000 ] - [ 0.0002804100000000, 0.0000000000000000, -0.0017614700000000 ] - [ -0.0000291600000000, -0.0002908700000000, -0.0019621500000000 ] - [ 0.0013282800000000, 0.0000000000000000, -0.0023322600000000 ] - [ -0.0000019700000000, 0.0000000000000000, -0.0029446700000000 ] - [ 0.0000058000000000, 0.0004359000000000, -0.0010590500000000 ] - [ -0.0007172500000000, -0.0008499600000000, -0.0023860100000000 ]- atom: 7 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0033357800000000, 0.0000000000000000, -0.0054337300000000 ] - [ 0.0203905000000000, 0.0000000000000000, -0.0138650800000000 ] - [ 0.0018140700000000, 0.0008041900000000, 0.0034553800000000 ] - [ -0.0139153300000000, 0.0000000000000000, 0.0166009600000000 ] - [ -0.0087165400000000, -0.0189677700000000, -0.0202991900000000 ] - [ -0.0144020900000000, 0.0258528300000000, -0.0236027600000000 ] - [ 0.0330214700000000, 0.0000000000000000, 0.2275370600000000 ] - [ -0.0144020900000000, -0.0258528300000000, -0.0236027600000000 ] - [ 0.0065751500000000, 0.0000000000000000, 0.0320941800000000 ] - [ 0.0020543300000000, 0.0000000000000000, -0.0024057400000000 ] - [ 0.0005755600000000, -0.0003817600000000, -0.0036307200000000 ] - [ 0.0003551300000000, 0.0000000000000000, -0.0036302700000000 ] - [ -0.0041329000000000, 0.0000000000000000, -0.0031065100000000 ] - [ -0.0001138100000000, 0.0000000000000000, -0.0046811600000000 ] - [ 0.0005755600000000, 0.0003817600000000, -0.0036307200000000 ] - [ 0.0002296700000000, 0.0000000000000000, -0.0029563800000000 ] - [ -0.0000985700000000, -0.0002409000000000, -0.0033742100000000 ] - [ -0.0002669700000000, 0.0000000000000000, -0.0025583300000000 ] - [ 0.0005199300000000, 0.0002694400000000, -0.0029127100000000 ] - [ 0.0000767600000000, 0.0000000000000000, -0.0034246300000000 ] - [ -0.0000985700000000, 0.0002409000000000, -0.0033742100000000 ] - [ -0.0008106200000000, -0.0001662900000000, -0.0029673800000000 ] - [ 0.0002348000000000, 0.0000000000000000, -0.0031695100000000 ] - [ -0.0002303900000000, 0.0000000000000000, -0.0021609300000000 ] - [ -0.0036612600000000, 0.0000000000000000, -0.0037920800000000 ] - [ -0.0039116300000000, 0.0000000000000000, 0.0030701900000000 ] - [ -0.0087165400000000, 0.0189677700000000, -0.0202991900000000 ] - [ 0.0106657700000000, 0.0000000000000000, 0.0232415700000000 ] - [ 0.0018140700000000, -0.0008041900000000, 0.0034553800000000 ] - [ 0.0017147300000000, 0.0012026200000000, 0.0038458600000000 ] - [ 0.0007850500000000, 0.0000000000000000, 0.0152731200000000 ] - [ 0.0017147300000000, -0.0012026200000000, 0.0038458600000000 ] - [ -0.0162080700000000, 0.0000000000000000, 0.0194207100000000 ] - [ -0.0014798600000000, 0.0000000000000000, -0.0042508500000000 ] - [ -0.0006993300000000, -0.0003777700000000, -0.0039565600000000 ] - [ 0.0003920400000000, 0.0000000000000000, -0.0035558800000000 ] - [ 0.0038221700000000, 0.0000000000000000, -0.0044357200000000 ] - [ 0.0001800400000000, 0.0000000000000000, -0.0046853200000000 ] - [ -0.0006993300000000, 0.0003777700000000, -0.0039565600000000 ] - [ 0.0011401700000000, 0.0000000000000000, -0.0040692700000000 ] - [ -0.0001065800000000, -0.0002417800000000, -0.0033887100000000 ] - [ 0.0002146300000000, 0.0000000000000000, -0.0036350000000000 ] - [ -0.0008106200000000, 0.0001662900000000, -0.0029673800000000 ] - [ 0.0003497200000000, 0.0000000000000000, -0.0035170000000000 ] - [ -0.0001065800000000, 0.0002417800000000, -0.0033887100000000 ] - [ 0.0005199300000000, -0.0002694400000000, -0.0029127100000000 ] - [ 0.0001528700000000, 0.0000000000000000, -0.0033357900000000 ] - [ 0.0002043100000000, 0.0000000000000000, -0.0070731100000000 ] - [ 0.0003366700000000, 0.0000000000000000, -0.0054575100000000 ] - [ 0.0000504500000000, 0.0000000000000000, -0.0025758200000000 ] - [ 0.0001001900000000, 0.0000000000000000, -0.0020714200000000 ] - [ 0.0000633600000000, 0.0000000000000000, -0.0031537400000000 ] - [ -0.0003864200000000, 0.0000000000000000, -0.0012916000000000 ] - [ 0.0000088500000000, 0.0000000000000000, -0.0027242600000000 ] - [ 0.0001542000000000, 0.0000000000000000, -0.0024043800000000 ] - [ -0.0000918500000000, 0.0000000000000000, -0.0028821900000000 ] - [ -0.0040918700000000, 0.0001193300000000, 0.0012825200000000 ] - [ -0.0032074500000000, 0.0000000000000000, -0.0097497100000000 ] - [ 0.0036673000000000, 0.0023034100000000, 0.0024902500000000 ] - [ 0.0007416700000000, 0.0000000000000000, 0.0031456900000000 ] - [ 0.0065260100000000, 0.0345544500000000, -0.0461867100000000 ] - [ -0.0089019600000000, 0.0000000000000000, -0.0332117900000000 ] - [ -0.0012830800000000, 0.0000000000000000, 0.0081257500000000 ] - [ -0.0078505900000000, 0.0076152600000000, -0.0210191000000000 ] - [ -0.0000361200000000, 0.0000000000000000, 0.0114809700000000 ] - [ 0.0065260100000000, -0.0345544500000000, -0.0461867100000000 ] - [ 0.0021541200000000, 0.0000000000000000, -0.0228769900000000 ] - [ -0.0078505900000000, -0.0076152600000000, -0.0210191000000000 ] - [ 0.0003613200000000, 0.0003935600000000, 0.0031416300000000 ] - [ 0.0009253500000000, 0.0000000000000000, 0.0023477100000000 ] - [ 0.0061215600000000, 0.0000000000000000, -0.0102932700000000 ] - [ 0.0003613200000000, -0.0003935600000000, 0.0031416300000000 ] - [ -0.0027002900000000, 0.0001979100000000, 0.0005866900000000 ] - [ -0.0002574100000000, 0.0000000000000000, 0.0023277500000000 ] - [ -0.0012327600000000, 0.0000000000000000, 0.0022144100000000 ] - [ 0.0030340200000000, -0.0014185100000000, 0.0028236500000000 ] - [ -0.0000609000000000, -0.0000436800000000, 0.0026294400000000 ] - [ 0.0003147900000000, 0.0000000000000000, 0.0023659400000000 ] - [ 0.0009135600000000, 0.0000000000000000, 0.0023555100000000 ] - [ -0.0002652900000000, -0.0000347600000000, 0.0020589900000000 ] - [ 0.0001178400000000, 0.0000000000000000, 0.0026686800000000 ] - [ 0.0000133700000000, 0.0000411100000000, 0.0026951500000000 ] - [ -0.0002652900000000, 0.0000347600000000, 0.0020589900000000 ] - [ -0.0002083400000000, 0.0000000000000000, 0.0023386800000000 ] - [ 0.0001422800000000, 0.0001719300000000, 0.0024944700000000 ] - [ 0.0002765700000000, 0.0000000000000000, 0.0025411500000000 ] - [ 0.0000633000000000, 0.0000000000000000, 0.0023255400000000 ] - [ 0.0005395800000000, 0.0000000000000000, 0.0029360800000000 ] - [ 0.0000937100000000, 0.0000687500000000, 0.0029114200000000 ] - [ 0.0001422800000000, -0.0001719300000000, 0.0024944700000000 ] - [ 0.0002939400000000, 0.0000000000000000, 0.0030838400000000 ] - [ 0.0000937100000000, -0.0000687500000000, 0.0029114200000000 ] - [ 0.0001432100000000, 0.0000000000000000, 0.0021661200000000 ] - [ -0.0000114200000000, 0.0000000000000000, 0.0027022800000000 ] - [ 0.0005798900000000, -0.0006041200000000, 0.0033498400000000 ] - [ -0.0001454600000000, 0.0001863700000000, 0.0020172300000000 ] - [ 0.0036673000000000, -0.0023034100000000, 0.0024902500000000 ] - [ 0.0022051400000000, 0.0000000000000000, -0.0125483200000000 ] - [ -0.0040918700000000, -0.0001193300000000, 0.0012825200000000 ] - [ 0.0004800900000000, 0.0000000000000000, -0.0016197400000000 ] - [ 0.0028441300000000, 0.0022660700000000, -0.0059727700000000 ] - [ -0.0045499400000000, 0.0000000000000000, -0.0063452900000000 ] - [ -0.0000651500000000, 0.0000000000000000, -0.0008842100000000 ] - [ 0.0034529300000000, -0.0014348000000000, -0.0057233300000000 ] - [ -0.0004885100000000, 0.0000000000000000, -0.0020034100000000 ] - [ 0.0028441300000000, -0.0022660700000000, -0.0059727700000000 ] - [ -0.0055092500000000, 0.0000000000000000, -0.0059890700000000 ] - [ 0.0034529300000000, 0.0014348000000000, -0.0057233300000000 ] - [ -0.0003544700000000, 0.0000537500000000, 0.0015677300000000 ] - [ 0.0008792700000000, 0.0000000000000000, -0.0014225400000000 ] - [ 0.0000876000000000, 0.0000000000000000, -0.0082496000000000 ] - [ -0.0003544700000000, -0.0000537500000000, 0.0015677300000000 ] - [ 0.0030340200000000, 0.0014185100000000, 0.0028236500000000 ] - [ 0.0001726900000000, 0.0000000000000000, 0.0028095600000000 ] - [ 0.0005293900000000, 0.0000000000000000, 0.0020269300000000 ] - [ -0.0027002900000000, -0.0001979100000000, 0.0005866900000000 ] - [ 0.0000133700000000, -0.0000411100000000, 0.0026951500000000 ] - [ -0.0000669100000000, 0.0000000000000000, 0.0020771500000000 ] - [ -0.0004307700000000, 0.0000000000000000, 0.0024792900000000 ] - [ 0.0000872100000000, -0.0000397900000000, 0.0018813800000000 ] - [ 0.0001027300000000, 0.0000000000000000, 0.0026016600000000 ] - [ -0.0000609000000000, 0.0000436800000000, 0.0026294400000000 ] - [ 0.0000872100000000, 0.0000397900000000, 0.0018813800000000 ] - [ -0.0001779200000000, 0.0000000000000000, 0.0022852200000000 ] - [ -0.0001099100000000, 0.0001302100000000, 0.0027678800000000 ] - [ 0.0002798500000000, 0.0000000000000000, 0.0026211100000000 ] - [ 0.0000684100000000, 0.0000000000000000, 0.0022786800000000 ] - [ -0.0005820100000000, 0.0000000000000000, 0.0033911800000000 ] - [ 0.0000172100000000, 0.0000821400000000, 0.0028687600000000 ] - [ -0.0001099100000000, -0.0001302100000000, 0.0027678800000000 ] - [ -0.0001475400000000, 0.0000000000000000, 0.0028639900000000 ] - [ 0.0000172100000000, -0.0000821400000000, 0.0028687600000000 ] - [ -0.0012183000000000, 0.0000000000000000, 0.0030088600000000 ] - [ 0.0004063300000000, 0.0000000000000000, 0.0030213600000000 ] - [ -0.0001454600000000, -0.0001863700000000, 0.0020172300000000 ] - [ 0.0005798900000000, 0.0006041200000000, 0.0033498400000000 ]- atom: 9 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0121773600000000, 0.0000000000000000, 0.0001068800000000 ] - [ -0.0236285600000000, 0.0000000000000000, 0.0098954000000000 ] - [ 0.0104889200000000, 0.0148933600000000, -0.0165263800000000 ] - [ -0.0056740200000000, 0.0000000000000000, 0.0074249800000000 ] - [ 0.0125179600000000, -0.0059921600000000, 0.0111300500000000 ] - [ -0.0072373400000000, -0.0001312200000000, -0.0061529900000000 ] - [ 0.0039863400000000, 0.0000000000000000, -0.0073619300000000 ] - [ -0.0072373400000000, 0.0001312200000000, -0.0061529900000000 ] - [ -0.1550172400000000, 0.0000000000000000, 0.0022548800000000 ] - [ 0.0016619900000000, 0.0000000000000000, 0.0001479400000000 ] - [ 0.0004302600000000, -0.0000847300000000, -0.0005401500000000 ] - [ 0.0000518800000000, 0.0000000000000000, -0.0002976200000000 ] - [ -0.0018130400000000, 0.0000000000000000, 0.0013877800000000 ] - [ -0.0000459000000000, 0.0000000000000000, -0.0004593700000000 ] - [ 0.0004302600000000, 0.0000847300000000, -0.0005401500000000 ] - [ 0.0002892100000000, 0.0000000000000000, 0.0000216700000000 ] - [ 0.0001222500000000, 0.0000272900000000, -0.0001529200000000 ] - [ 0.0006496800000000, 0.0000000000000000, -0.0006376600000000 ] - [ -0.0010291500000000, 0.0001719900000000, -0.0001849900000000 ] - [ 0.0004900300000000, 0.0000000000000000, 0.0003816400000000 ] - [ 0.0001222500000000, -0.0000272900000000, -0.0001529200000000 ] - [ 0.0010543300000000, -0.0002961500000000, 0.0006670200000000 ] - [ 0.0001717600000000, 0.0000000000000000, 0.0000546600000000 ] - [ 0.0008558500000000, 0.0000000000000000, -0.0040916900000000 ] - [ 0.0050929100000000, 0.0000000000000000, -0.0001894200000000 ] - [ 0.0129436100000000, 0.0000000000000000, 0.0000877200000000 ] - [ 0.0125179600000000, 0.0059921600000000, 0.0111300500000000 ] - [ 0.0213383500000000, 0.0000000000000000, -0.0074216800000000 ] - [ 0.0104889200000000, -0.0148933600000000, -0.0165263800000000 ] - [ 0.0062271700000000, 0.0006588200000000, 0.0035417600000000 ] - [ 0.0292559600000000, 0.0000000000000000, 0.0121294600000000 ] - [ 0.0062271700000000, -0.0006588200000000, 0.0035417600000000 ] - [ 0.0108612000000000, 0.0000000000000000, 0.0004742600000000 ] - [ -0.0013656200000000, 0.0000000000000000, -0.0004790000000000 ] - [ -0.0002410900000000, -0.0001080600000000, -0.0004727500000000 ] - [ 0.0000646400000000, 0.0000000000000000, -0.0003726000000000 ] - [ 0.0019976900000000, 0.0000000000000000, -0.0021728800000000 ] - [ 0.0001075500000000, 0.0000000000000000, -0.0005294200000000 ] - [ -0.0002410900000000, 0.0001080600000000, -0.0004727500000000 ] - [ 0.0004520600000000, 0.0000000000000000, -0.0005694900000000 ] - [ -0.0000143800000000, 0.0000326800000000, -0.0000990200000000 ] - [ -0.0010116600000000, 0.0000000000000000, 0.0013947600000000 ] - [ 0.0010543300000000, 0.0002961500000000, 0.0006670200000000 ] - [ -0.0000270700000000, 0.0000000000000000, 0.0004071900000000 ] - [ -0.0000143800000000, -0.0000326800000000, -0.0000990200000000 ] - [ -0.0010291500000000, -0.0001719900000000, -0.0001849900000000 ] - [ 0.0002139100000000, 0.0000000000000000, 0.0004285100000000 ] - [ -0.0015978300000000, 0.0000000000000000, 0.0034571300000000 ] - [ -0.0001343500000000, 0.0000000000000000, -0.0012504300000000 ] - [ 0.0000423800000000, 0.0000000000000000, -0.0000716200000000 ] - [ 0.0002620100000000, 0.0000000000000000, 0.0001235400000000 ] - [ -0.0000014800000000, 0.0000000000000000, -0.0004290000000000 ] - [ 0.0000013400000000, 0.0000000000000000, 0.0005500300000000 ] - [ 0.0000150900000000, 0.0000000000000000, -0.0000979700000000 ] - [ -0.0000642400000000, 0.0000000000000000, 0.0006896300000000 ] - [ -0.0000247700000000, 0.0000000000000000, -0.0003036700000000 ] - [ 0.0094355200000000, -0.0032049600000000, 0.0044489100000000 ] - [ 0.0055095200000000, 0.0000000000000000, 0.0026926000000000 ] - [ -0.0049599900000000, 0.0005780800000000, -0.0014784300000000 ] - [ 0.0007514100000000, 0.0000000000000000, -0.0082797300000000 ] - [ -0.0026269400000000, 0.0027100300000000, 0.0067637500000000 ] - [ -0.0078897500000000, 0.0000000000000000, -0.0014395700000000 ] - [ -0.0011457800000000, 0.0000000000000000, -0.0077318800000000 ] - [ 0.0292072900000000, -0.0164828000000000, 0.0061882300000000 ] - [ 0.0011739300000000, 0.0000000000000000, 0.0024748400000000 ] - [ -0.0026269400000000, -0.0027100300000000, 0.0067637500000000 ] - [ 0.0102973800000000, 0.0000000000000000, 0.0016131800000000 ] - [ 0.0292072900000000, 0.0164828000000000, 0.0061882300000000 ] - [ 0.0002683500000000, 0.0000628200000000, 0.0003459400000000 ] - [ 0.0022278600000000, 0.0000000000000000, 0.0008058800000000 ] - [ 0.0149627100000000, 0.0000000000000000, -0.0045546900000000 ] - [ 0.0002683500000000, -0.0000628200000000, 0.0003459400000000 ] - [ -0.0019163400000000, 0.0001920400000000, 0.0002812300000000 ] - [ -0.0001676600000000, 0.0000000000000000, 0.0000823400000000 ] - [ -0.0005202300000000, 0.0000000000000000, -0.0000651700000000 ] - [ 0.0017645200000000, 0.0004763400000000, 0.0002636900000000 ] - [ -0.0000419000000000, -0.0000450200000000, 0.0002587700000000 ] - [ 0.0002404000000000, 0.0000000000000000, -0.0001214700000000 ] - [ 0.0004885100000000, 0.0000000000000000, -0.0003398000000000 ] - [ -0.0001426500000000, -0.0000315000000000, -0.0003407700000000 ] - [ 0.0001458200000000, 0.0000000000000000, 0.0002052200000000 ] - [ -0.0000015600000000, 0.0000436100000000, 0.0002325100000000 ] - [ -0.0001426500000000, 0.0000315000000000, -0.0003407700000000 ] - [ -0.0002177600000000, 0.0000000000000000, -0.0000872400000000 ] - [ -0.0002935000000000, 0.0001080000000000, 0.0004621800000000 ] - [ 0.0003512600000000, 0.0000000000000000, 0.0003012600000000 ] - [ 0.0000402400000000, 0.0000000000000000, -0.0000385000000000 ] - [ -0.0011442200000000, 0.0000000000000000, 0.0004068700000000 ] - [ -0.0000680400000000, 0.0001910500000000, 0.0004955300000000 ] - [ -0.0002935000000000, -0.0001080000000000, 0.0004621800000000 ] - [ -0.0003099000000000, 0.0000000000000000, 0.0003164700000000 ] - [ -0.0000680400000000, -0.0001910500000000, 0.0004955300000000 ] - [ -0.0012638000000000, 0.0000000000000000, 0.0011033100000000 ] - [ 0.0004473600000000, 0.0000000000000000, 0.0005191500000000 ] - [ -0.0004719900000000, 0.0003429400000000, -0.0008647200000000 ] - [ 0.0001542600000000, 0.0002424000000000, 0.0016862300000000 ] - [ -0.0049599900000000, -0.0005780800000000, -0.0014784300000000 ] - [ -0.0109071200000000, 0.0000000000000000, -0.0040520700000000 ] - [ 0.0094355200000000, 0.0032049600000000, 0.0044489100000000 ] - [ -0.0030245200000000, 0.0000000000000000, 0.0019298400000000 ] - [ -0.0059195400000000, 0.0034299800000000, -0.0076500200000000 ] - [ 0.0479659000000000, 0.0000000000000000, -0.0089301700000000 ] - [ -0.0060293200000000, 0.0000000000000000, 0.0080600800000000 ] - [ -0.0110733300000000, 0.0034556300000000, -0.0001223100000000 ] - [ -0.0017234600000000, 0.0000000000000000, -0.0025846100000000 ] - [ -0.0059195400000000, -0.0034299800000000, -0.0076500200000000 ] - [ -0.0076787100000000, 0.0000000000000000, -0.0004996300000000 ] - [ -0.0110733300000000, -0.0034556300000000, -0.0001223100000000 ] - [ -0.0003651700000000, 0.0000710000000000, -0.0002811400000000 ] - [ -0.0009158500000000, 0.0000000000000000, -0.0023635400000000 ] - [ -0.0049824400000000, 0.0000000000000000, -0.0000569600000000 ] - [ -0.0003651700000000, -0.0000710000000000, -0.0002811400000000 ] - [ 0.0017645200000000, -0.0004763400000000, 0.0002636900000000 ] - [ 0.0000629700000000, 0.0000000000000000, 0.0002373300000000 ] - [ 0.0001498100000000, 0.0000000000000000, -0.0003995000000000 ] - [ -0.0019163400000000, -0.0001920400000000, 0.0002812300000000 ] - [ -0.0000015600000000, -0.0000436100000000, 0.0002325100000000 ] - [ 0.0000258000000000, 0.0000000000000000, -0.0001901500000000 ] - [ -0.0000525100000000, 0.0000000000000000, 0.0000625200000000 ] - [ -0.0000371800000000, -0.0000292000000000, -0.0004841900000000 ] - [ 0.0000760000000000, 0.0000000000000000, 0.0002959100000000 ] - [ -0.0000419000000000, 0.0000450200000000, 0.0002587700000000 ] - [ -0.0000371800000000, 0.0000292000000000, -0.0004841900000000 ] - [ -0.0001683700000000, 0.0000000000000000, -0.0001214400000000 ] - [ 0.0003614700000000, 0.0001744400000000, 0.0001760600000000 ] - [ 0.0004534400000000, 0.0000000000000000, 0.0001882900000000 ] - [ 0.0000867300000000, 0.0000000000000000, -0.0000468400000000 ] - [ 0.0015808300000000, 0.0000000000000000, 0.0005325200000000 ] - [ 0.0000565600000000, 0.0001693100000000, 0.0005935500000000 ] - [ 0.0003614700000000, -0.0001744400000000, 0.0001760600000000 ] - [ 0.0004058700000000, 0.0000000000000000, 0.0008688800000000 ] - [ 0.0000565600000000, -0.0001693100000000, 0.0005935500000000 ] - [ 0.0013026400000000, 0.0000000000000000, 0.0003768600000000 ] - [ -0.0001248200000000, 0.0000000000000000, -0.0002222000000000 ] - [ 0.0001542600000000, -0.0002424000000000, 0.0016862300000000 ] - [ -0.0004719900000000, -0.0003429400000000, -0.0008647200000000 ]- atom: 9 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0124658600000000, 0.0000000000000000, 0.0005832000000000 ] - [ 0.0233842400000000, 0.0000000000000000, -0.0105838800000000 ] - [ -0.0102951900000000, -0.0147949500000000, 0.0163662500000000 ] - [ 0.0053067100000000, 0.0000000000000000, -0.0081406500000000 ] - [ -0.0122749600000000, 0.0060278600000000, -0.0112881200000000 ] - [ 0.0073441100000000, 0.0000742200000000, 0.0061043100000000 ] - [ -0.0040002600000000, 0.0000000000000000, 0.0073577900000000 ] - [ 0.0073441100000000, -0.0000742200000000, 0.0061043100000000 ] - [ 0.1504184300000000, 0.0000000000000000, 0.0015182000000000 ] - [ -0.0016673100000000, 0.0000000000000000, -0.0001757300000000 ] - [ -0.0002320900000000, -0.0000619800000000, -0.0001914400000000 ] - [ 0.0000411700000000, 0.0000000000000000, -0.0001157600000000 ] - [ 0.0023874600000000, 0.0000000000000000, -0.0016078700000000 ] - [ 0.0001019500000000, 0.0000000000000000, -0.0001944300000000 ] - [ -0.0002320900000000, 0.0000619800000000, -0.0001914400000000 ] - [ 0.0004138100000000, 0.0000000000000000, -0.0003446400000000 ] - [ -0.0000047900000000, 0.0000577500000000, 0.0001645300000000 ] - [ -0.0008967400000000, 0.0000000000000000, 0.0012270800000000 ] - [ 0.0008085000000000, 0.0000610500000000, 0.0011412400000000 ] - [ -0.0000754000000000, 0.0000000000000000, 0.0007159000000000 ] - [ -0.0000047900000000, -0.0000577500000000, 0.0001645300000000 ] - [ -0.0012664200000000, 0.0000630400000000, 0.0002822400000000 ] - [ 0.0002217300000000, 0.0000000000000000, 0.0007108300000000 ] - [ -0.0007974000000000, 0.0000000000000000, 0.0038347700000000 ] - [ -0.0048060400000000, 0.0000000000000000, 0.0007701400000000 ] - [ -0.0131235800000000, 0.0000000000000000, -0.0009278300000000 ] - [ -0.0122749600000000, -0.0060278600000000, -0.0112881200000000 ] - [ -0.0217583100000000, 0.0000000000000000, 0.0068035400000000 ] - [ -0.0102951900000000, 0.0147949500000000, 0.0163662500000000 ] - [ -0.0062537400000000, -0.0006479900000000, -0.0034874800000000 ] - [ -0.0292425400000000, 0.0000000000000000, -0.0119937600000000 ] - [ -0.0062537400000000, 0.0006479900000000, -0.0034874800000000 ] - [ -0.0110474600000000, 0.0000000000000000, -0.0003913600000000 ] - [ 0.0013660700000000, 0.0000000000000000, 0.0004132300000000 ] - [ 0.0004371000000000, -0.0000396200000000, -0.0002664100000000 ] - [ 0.0000274900000000, 0.0000000000000000, -0.0000402400000000 ] - [ -0.0013729100000000, 0.0000000000000000, 0.0019673300000000 ] - [ -0.0000503700000000, 0.0000000000000000, -0.0001233300000000 ] - [ 0.0004371000000000, 0.0000396200000000, -0.0002664100000000 ] - [ 0.0002615000000000, 0.0000000000000000, 0.0002422500000000 ] - [ 0.0001313100000000, 0.0000523300000000, 0.0001109400000000 ] - [ 0.0007698800000000, 0.0000000000000000, -0.0008005600000000 ] - [ -0.0012664200000000, -0.0000630400000000, 0.0002822400000000 ] - [ 0.0004404000000000, 0.0000000000000000, 0.0006922500000000 ] - [ 0.0001313100000000, -0.0000523300000000, 0.0001109400000000 ] - [ 0.0008085000000000, -0.0000610500000000, 0.0011412400000000 ] - [ 0.0001807900000000, 0.0000000000000000, 0.0003369000000000 ] - [ 0.0016671500000000, 0.0000000000000000, -0.0036850300000000 ] - [ -0.0000258900000000, 0.0000000000000000, 0.0008321600000000 ] - [ 0.0000150500000000, 0.0000000000000000, 0.0001092600000000 ] - [ 0.0000009300000000, 0.0000000000000000, 0.0009043500000000 ] - [ -0.0000189900000000, 0.0000000000000000, -0.0000897400000000 ] - [ -0.0001776500000000, 0.0000000000000000, -0.0009632200000000 ] - [ 0.0000429700000000, 0.0000000000000000, 0.0001343500000000 ] - [ 0.0003288300000000, 0.0000000000000000, 0.0003398900000000 ] - [ 0.0000017800000000, 0.0000000000000000, -0.0002141700000000 ] - [ -0.0094007500000000, 0.0032762700000000, -0.0042284700000000 ] - [ -0.0056645700000000, 0.0000000000000000, -0.0031840900000000 ] - [ 0.0049414600000000, -0.0006697800000000, 0.0017210400000000 ] - [ -0.0014899500000000, 0.0000000000000000, 0.0072758000000000 ] - [ 0.0023295900000000, -0.0030165000000000, -0.0075004200000000 ] - [ 0.0074323500000000, 0.0000000000000000, 0.0015011000000000 ] - [ 0.0006650500000000, 0.0000000000000000, 0.0075306200000000 ] - [ -0.0295773300000000, 0.0172831100000000, -0.0069007400000000 ] - [ -0.0021111900000000, 0.0000000000000000, -0.0032378200000000 ] - [ 0.0023295900000000, 0.0030165000000000, -0.0075004200000000 ] - [ -0.0104827100000000, 0.0000000000000000, -0.0020259700000000 ] - [ -0.0295773300000000, -0.0172831100000000, -0.0069007400000000 ] - [ -0.0003200100000000, 0.0000216800000000, -0.0004607300000000 ] - [ -0.0018794700000000, 0.0000000000000000, -0.0009495900000000 ] - [ -0.0143138900000000, 0.0000000000000000, 0.0039764100000000 ] - [ -0.0003200100000000, -0.0000216800000000, -0.0004607300000000 ] - [ 0.0018074800000000, -0.0004901000000000, -0.0002547900000000 ] - [ 0.0000639300000000, 0.0000000000000000, 0.0000385300000000 ] - [ 0.0001528300000000, 0.0000000000000000, -0.0006286700000000 ] - [ -0.0018544800000000, -0.0001632000000000, -0.0001917700000000 ] - [ -0.0000000100000000, -0.0000422600000000, 0.0000387200000000 ] - [ 0.0000249300000000, 0.0000000000000000, -0.0003659100000000 ] - [ -0.0001407600000000, 0.0000000000000000, -0.0000973100000000 ] - [ -0.0000369500000000, -0.0000304200000000, -0.0006791400000000 ] - [ 0.0000723300000000, 0.0000000000000000, 0.0001022300000000 ] - [ -0.0000406700000000, 0.0000438900000000, 0.0000655100000000 ] - [ -0.0000369500000000, 0.0000304200000000, -0.0006791400000000 ] - [ -0.0001699500000000, 0.0000000000000000, -0.0003136300000000 ] - [ 0.0003345100000000, 0.0002176700000000, -0.0000607200000000 ] - [ 0.0004630900000000, 0.0000000000000000, -0.0000134200000000 ] - [ 0.0000875300000000, 0.0000000000000000, -0.0002352900000000 ] - [ 0.0010558800000000, 0.0000000000000000, 0.0003431300000000 ] - [ 0.0000561000000000, 0.0001818400000000, 0.0004116700000000 ] - [ 0.0003345100000000, -0.0002176700000000, -0.0000607200000000 ] - [ 0.0004415800000000, 0.0000000000000000, 0.0007877700000000 ] - [ 0.0000561000000000, -0.0001818400000000, 0.0004116700000000 ] - [ 0.0013779100000000, 0.0000000000000000, -0.0004267500000000 ] - [ -0.0000423800000000, 0.0000000000000000, -0.0004436500000000 ] - [ 0.0003276500000000, -0.0000915400000000, 0.0018222400000000 ] - [ -0.0002888700000000, -0.0004910500000000, -0.0007241500000000 ] - [ 0.0049414600000000, 0.0006697800000000, 0.0017210400000000 ] - [ 0.0107762400000000, 0.0000000000000000, 0.0036160800000000 ] - [ -0.0094007500000000, -0.0032762700000000, -0.0042284700000000 ] - [ 0.0023495800000000, 0.0000000000000000, -0.0029398100000000 ] - [ 0.0056394800000000, -0.0036218600000000, 0.0069398700000000 ] - [ -0.0440184400000000, 0.0000000000000000, 0.0072161100000000 ] - [ 0.0056102200000000, 0.0000000000000000, -0.0081949400000000 ] - [ 0.0109274000000000, -0.0034495100000000, -0.0001756300000000 ] - [ 0.0008261000000000, 0.0000000000000000, 0.0018183800000000 ] - [ 0.0056394800000000, 0.0036218600000000, 0.0069398700000000 ] - [ 0.0075242000000000, 0.0000000000000000, 0.0000340200000000 ] - [ 0.0109274000000000, 0.0034495100000000, -0.0001756300000000 ] - [ 0.0003185500000000, 0.0000138500000000, 0.0001568700000000 ] - [ 0.0013194300000000, 0.0000000000000000, 0.0021774900000000 ] - [ 0.0055532800000000, 0.0000000000000000, 0.0002779100000000 ] - [ 0.0003185500000000, -0.0000138500000000, 0.0001568700000000 ] - [ -0.0018544800000000, 0.0001632000000000, -0.0001917700000000 ] - [ -0.0001669800000000, 0.0000000000000000, -0.0001128600000000 ] - [ -0.0005108300000000, 0.0000000000000000, -0.0002852300000000 ] - [ 0.0018074800000000, 0.0004901000000000, -0.0002547900000000 ] - [ -0.0000406700000000, -0.0000438900000000, 0.0000655100000000 ] - [ 0.0002389200000000, 0.0000000000000000, -0.0002997200000000 ] - [ 0.0003886500000000, 0.0000000000000000, -0.0005065400000000 ] - [ -0.0001391500000000, -0.0000327800000000, -0.0005348000000000 ] - [ 0.0001424300000000, 0.0000000000000000, 0.0000119700000000 ] - [ -0.0000000100000000, 0.0000422600000000, 0.0000387200000000 ] - [ -0.0001391500000000, 0.0000327800000000, -0.0005348000000000 ] - [ -0.0002181200000000, 0.0000000000000000, -0.0002797800000000 ] - [ -0.0003211900000000, 0.0001510300000000, 0.0002222400000000 ] - [ 0.0003605300000000, 0.0000000000000000, 0.0000991600000000 ] - [ 0.0000416600000000, 0.0000000000000000, -0.0002272600000000 ] - [ -0.0016701000000000, 0.0000000000000000, 0.0002048400000000 ] - [ -0.0000679600000000, 0.0002035000000000, 0.0003133100000000 ] - [ -0.0003211900000000, -0.0001510300000000, 0.0002222400000000 ] - [ -0.0002714200000000, 0.0000000000000000, 0.0002346400000000 ] - [ -0.0000679600000000, -0.0002035000000000, 0.0003133100000000 ] - [ -0.0011851600000000, 0.0000000000000000, 0.0002911500000000 ] - [ 0.0005265800000000, 0.0000000000000000, 0.0002973400000000 ] - [ -0.0002888700000000, 0.0004910500000000, -0.0007241500000000 ] - [ 0.0003276500000000, 0.0000915400000000, 0.0018222400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001365100000000, -0.0072311700000000, 0.0003350500000000 ] - [ -0.0001303400000000, 0.0343301200000000, -0.0004934500000000 ] - [ 0.0059199500000000, 0.0003238300000000, -0.0002865000000000 ] - [ 0.0000001700000000, 0.0153381300000000, -0.0003050000000000 ] - [ -0.0143469600000000, -0.0005691000000000, -0.0106757300000000 ] - [ 0.0014185500000000, 0.0010304500000000, 0.0071694600000000 ] - [ -0.0002327000000000, 0.0345357000000000, 0.0000513200000000 ] - [ -0.0014918600000000, 0.0011871900000000, -0.0070959600000000 ] - [ 0.0018583400000000, -0.1568866300000000, 0.0020299800000000 ] - [ -0.0000031600000000, 0.0002418200000000, -0.0000216500000000 ] - [ 0.0000862800000000, -0.0000734500000000, -0.0003864300000000 ] - [ 0.0000463200000000, 0.0000030900000000, -0.0002068900000000 ] - [ 0.0003061500000000, -0.0002222800000000, -0.0001041100000000 ] - [ 0.0000282400000000, 0.0000050500000000, -0.0003264500000000 ] - [ 0.0001104700000000, 0.0000727500000000, -0.0003489100000000 ] - [ 0.0003545000000000, 0.0000222100000000, -0.0001627100000000 ] - [ 0.0000570100000000, 0.0000425500000000, 0.0000035400000000 ] - [ -0.0001209200000000, 0.0002322400000000, 0.0002950100000000 ] - [ 0.0000347000000000, 0.0001124100000000, 0.0007969800000000 ] - [ 0.0002072100000000, 0.0000245300000000, 0.0005487700000000 ] - [ 0.0000603300000000, -0.0000423600000000, 0.0000073100000000 ] - [ -0.0001847200000000, -0.0001189900000000, 0.0004407000000000 ] - [ 0.0001970800000000, -0.0000043000000000, 0.0003818300000000 ] - [ 0.0000344800000000, -0.0004803100000000, -0.0001209100000000 ] - [ 0.0001518700000000, -0.0000340600000000, 0.0002972800000000 ] - [ -0.0000630700000000, 0.0005561700000000, -0.0003920100000000 ] - [ 0.0145131200000000, -0.0005101800000000, 0.0105923800000000 ] - [ -0.0000835500000000, -0.0075424800000000, -0.0003818900000000 ] - [ -0.0057311200000000, 0.0003809800000000, 0.0001873600000000 ] - [ -0.0007416200000000, -0.0000510000000000, -0.0008449000000000 ] - [ -0.0001480300000000, -0.0024985800000000, 0.0000420200000000 ] - [ 0.0007137000000000, -0.0000580500000000, 0.0008645300000000 ] - [ -0.0000890100000000, -0.0004680800000000, 0.0000494600000000 ] - [ -0.0000071600000000, 0.0003047700000000, -0.0000272400000000 ] - [ 0.0000822200000000, -0.0000732600000000, -0.0003956900000000 ] - [ 0.0000463700000000, 0.0000027900000000, -0.0002070500000000 ] - [ 0.0003065300000000, -0.0005835200000000, -0.0001114300000000 ] - [ 0.0000282300000000, 0.0000034600000000, -0.0003266400000000 ] - [ 0.0001142300000000, 0.0000737000000000, -0.0003391400000000 ] - [ 0.0003539500000000, 0.0000243300000000, -0.0001631900000000 ] - [ 0.0000569200000000, 0.0000427200000000, 0.0000037600000000 ] - [ -0.0001231500000000, 0.0001451600000000, 0.0002975000000000 ] - [ -0.0000297600000000, 0.0001143100000000, 0.0005135900000000 ] - [ 0.0002066900000000, 0.0000245900000000, 0.0005487300000000 ] - [ 0.0000600800000000, -0.0000422300000000, 0.0000072800000000 ] - [ -0.0002534400000000, -0.0001210100000000, 0.0001548100000000 ] - [ 0.0001970600000000, -0.0000037700000000, 0.0003824200000000 ] - [ 0.0000299500000000, -0.0003487600000000, -0.0001181900000000 ] - [ -0.0000838200000000, -0.0000175600000000, -0.0002081100000000 ] - [ 0.0000289000000000, -0.0000039800000000, 0.0000184800000000 ] - [ 0.0001320900000000, -0.0000412800000000, 0.0005137100000000 ] - [ -0.0000108600000000, -0.0000003900000000, -0.0002590400000000 ] - [ -0.0000837300000000, -0.0000048400000000, -0.0002112200000000 ] - [ 0.0000288400000000, -0.0000041600000000, 0.0000185500000000 ] - [ 0.0001316200000000, -0.0000297200000000, 0.0005143900000000 ] - [ -0.0000107500000000, -0.0000004600000000, -0.0002590100000000 ] - [ -0.0036976600000000, 0.0005124800000000, 0.0045714500000000 ] - [ -0.0001525500000000, -0.0086666000000000, -0.0002098500000000 ] - [ 0.0001504000000000, -0.0000462100000000, 0.0000439400000000 ] - [ -0.0003460600000000, 0.0075430300000000, -0.0005069400000000 ] - [ 0.0034508900000000, 0.0008698500000000, -0.0057734800000000 ] - [ -0.0002179100000000, -0.0073331000000000, 0.0000234200000000 ] - [ -0.0002239800000000, -0.0075739200000000, -0.0000974000000000 ] - [ -0.0113603400000000, 0.0366509100000000, -0.0120999100000000 ] - [ -0.0004365900000000, -0.0006794000000000, -0.0003928700000000 ] - [ -0.0036791600000000, 0.0010333400000000, 0.0050920300000000 ] - [ -0.0000533300000000, -0.0115372600000000, -0.0003160000000000 ] - [ 0.0094848900000000, 0.0337927000000000, 0.0103069100000000 ] - [ -0.0000045100000000, 0.0000314600000000, -0.0001040000000000 ] - [ 0.0001859500000000, 0.0001545600000000, -0.0000660700000000 ] - [ 0.0002826700000000, 0.0182231200000000, -0.0003182300000000 ] - [ -0.0000430800000000, -0.0000515800000000, -0.0000155300000000 ] - [ 0.0001903100000000, -0.0002160000000000, -0.0002798600000000 ] - [ -0.0000517800000000, -0.0000049100000000, 0.0000614200000000 ] - [ -0.0001815400000000, -0.0000343100000000, -0.0003458000000000 ] - [ 0.0004036600000000, 0.0004429900000000, 0.0007055500000000 ] - [ -0.0000205300000000, -0.0000434900000000, 0.0001493700000000 ] - [ 0.0001327700000000, 0.0000020600000000, -0.0002444000000000 ] - [ 0.0001708800000000, 0.0000719600000000, -0.0002211000000000 ] - [ -0.0000868600000000, -0.0000317700000000, -0.0005160000000000 ] - [ 0.0001092000000000, 0.0000020600000000, 0.0001534500000000 ] - [ -0.0000210900000000, 0.0000431900000000, 0.0001494200000000 ] - [ -0.0000912300000000, 0.0000299600000000, -0.0005034400000000 ] - [ -0.0001941900000000, -0.0000002400000000, -0.0001999300000000 ] - [ -0.0000179300000000, 0.0001519600000000, 0.0002390800000000 ] - [ 0.0004070800000000, -0.0000027000000000, 0.0001442200000000 ] - [ 0.0000639900000000, -0.0000005400000000, -0.0001367100000000 ] - [ -0.0000460600000000, -0.0000125400000000, 0.0003719000000000 ] - [ -0.0000077000000000, 0.0001860800000000, 0.0004598500000000 ] - [ 0.0000579300000000, -0.0001741200000000, 0.0001617000000000 ] - [ 0.0000659700000000, 0.0000216700000000, 0.0005518400000000 ] - [ -0.0000041500000000, -0.0001868700000000, 0.0004476100000000 ] - [ 0.0000572300000000, 0.0000243700000000, 0.0003362200000000 ] - [ 0.0002019700000000, -0.0000445600000000, 0.0000383400000000 ] - [ 0.0000211800000000, 0.0000761200000000, 0.0007232600000000 ] - [ 0.0001138400000000, -0.0001677800000000, 0.0001684200000000 ] - [ -0.0001724700000000, 0.0000255800000000, 0.0001729100000000 ] - [ -0.0001022100000000, 0.0045496300000000, -0.0002562000000000 ] - [ 0.0036796300000000, 0.0003925000000000, -0.0043267900000000 ] - [ -0.0003555200000000, -0.0003774300000000, -0.0004983900000000 ] - [ 0.0025464600000000, -0.0002648800000000, 0.0009809500000000 ] - [ -0.0003005500000000, 0.0197637000000000, 0.0000440800000000 ] - [ -0.0002097600000000, 0.0002968900000000, -0.0000808900000000 ] - [ -0.0009940400000000, 0.0004904500000000, -0.0005357600000000 ] - [ -0.0004506400000000, 0.0004690000000000, -0.0003749500000000 ] - [ -0.0028379300000000, 0.0000050700000000, -0.0016486200000000 ] - [ -0.0000845800000000, 0.0009956800000000, -0.0002234900000000 ] - [ 0.0008327700000000, 0.0005041800000000, 0.0002197700000000 ] - [ 0.0000081900000000, 0.0000315400000000, -0.0000993000000000 ] - [ 0.0001964000000000, -0.0002445900000000, -0.0000842800000000 ] - [ 0.0002849300000000, -0.0010474700000000, 0.0001139000000000 ] - [ -0.0000570000000000, -0.0000531300000000, -0.0000201800000000 ] - [ -0.0005045000000000, 0.0001204600000000, -0.0006680100000000 ] - [ -0.0000518200000000, -0.0000063700000000, 0.0000613000000000 ] - [ -0.0001825000000000, -0.0000598900000000, -0.0003459100000000 ] - [ -0.0002956100000000, 0.0000810300000000, 0.0003204100000000 ] - [ -0.0000206800000000, -0.0000437700000000, 0.0001490200000000 ] - [ 0.0001326700000000, 0.0000014200000000, -0.0002441500000000 ] - [ 0.0001698300000000, 0.0000307500000000, -0.0002196900000000 ] - [ -0.0000880900000000, -0.0000315100000000, -0.0005192200000000 ] - [ 0.0001091600000000, 0.0000014700000000, 0.0001536600000000 ] - [ -0.0000208900000000, 0.0000432500000000, 0.0001492000000000 ] - [ -0.0000901800000000, 0.0000302900000000, -0.0005006500000000 ] - [ -0.0001937700000000, -0.0000005300000000, -0.0002001700000000 ] - [ 0.0000179500000000, 0.0001573900000000, 0.0002497900000000 ] - [ 0.0004072000000000, -0.0000037900000000, 0.0001441500000000 ] - [ 0.0000640300000000, -0.0000003100000000, -0.0001367800000000 ] - [ -0.0000421000000000, 0.0005165100000000, 0.0003720800000000 ] - [ -0.0000072600000000, 0.0001861000000000, 0.0004593600000000 ] - [ 0.0000236000000000, -0.0001685500000000, 0.0001504900000000 ] - [ 0.0000667300000000, 0.0000327500000000, 0.0005524600000000 ] - [ -0.0000043800000000, -0.0001868000000000, 0.0004485000000000 ] - [ 0.0000592600000000, -0.0002710500000000, 0.0003362400000000 ] - [ 0.0002014700000000, -0.0000380500000000, 0.0000372100000000 ] - [ -0.0002536900000000, 0.0000821500000000, 0.0007951100000000 ] - [ -0.0001616400000000, -0.0001747400000000, 0.0002342600000000 ]- atom: 9 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0019737900000000, 0.0000000000000000, 0.0202444000000000 ] - [ -0.0037060100000000, 0.0000000000000000, 0.0019448000000000 ] - [ -0.0096537800000000, -0.0018942400000000, -0.0041645500000000 ] - [ 0.0085904100000000, 0.0000000000000000, -0.0151697700000000 ] - [ 0.0142068400000000, -0.0060534700000000, -0.0005513000000000 ] - [ -0.0109923200000000, 0.0157191100000000, 0.0172215000000000 ] - [ 0.0014791700000000, 0.0000000000000000, -0.0332027100000000 ] - [ -0.0109923200000000, -0.0157191100000000, 0.0172215000000000 ] - [ -0.0209235500000000, 0.0000000000000000, -0.2773236700000000 ] - [ -0.0000800000000000, 0.0000000000000000, 0.0018410500000000 ] - [ -0.0000948700000000, -0.0000455900000000, 0.0024536800000000 ] - [ -0.0002216600000000, 0.0000000000000000, 0.0030184100000000 ] - [ 0.0041210800000000, 0.0000000000000000, 0.0026294200000000 ] - [ 0.0001387400000000, 0.0000000000000000, 0.0039024300000000 ] - [ -0.0000948700000000, 0.0000455900000000, 0.0024536800000000 ] - [ 0.0009054900000000, 0.0000000000000000, 0.0026950400000000 ] - [ 0.0001746900000000, 0.0002998400000000, 0.0031676800000000 ] - [ -0.0007911600000000, 0.0000000000000000, 0.0029586000000000 ] - [ -0.0009719100000000, 0.0002930800000000, 0.0045346600000000 ] - [ 0.0003041200000000, 0.0000000000000000, 0.0041582500000000 ] - [ 0.0001746900000000, -0.0002998400000000, 0.0031676800000000 ] - [ 0.0007632900000000, -0.0000540200000000, 0.0030588200000000 ] - [ 0.0000801900000000, 0.0000000000000000, 0.0038384400000000 ] - [ -0.0014473400000000, 0.0000000000000000, 0.0013591400000000 ] - [ 0.0005329400000000, 0.0000000000000000, 0.0007495300000000 ] - [ 0.0017799700000000, 0.0000000000000000, -0.0043468500000000 ] - [ 0.0142068400000000, 0.0060534700000000, -0.0005513000000000 ] - [ -0.0083229100000000, 0.0000000000000000, -0.0146287400000000 ] - [ -0.0096537800000000, 0.0018942400000000, -0.0041645500000000 ] - [ 0.0020597200000000, -0.0001145200000000, -0.0019785700000000 ] - [ 0.0054294900000000, 0.0000000000000000, -0.0177920900000000 ] - [ 0.0020597200000000, 0.0001145200000000, -0.0019785700000000 ] - [ 0.0019055700000000, 0.0000000000000000, -0.0113564900000000 ] - [ 0.0003461800000000, 0.0000000000000000, 0.0070424100000000 ] - [ 0.0004546200000000, 0.0001083900000000, 0.0033863600000000 ] - [ -0.0002995900000000, 0.0000000000000000, 0.0029979800000000 ] - [ -0.0036753000000000, 0.0000000000000000, 0.0019245800000000 ] - [ -0.0000819800000000, 0.0000000000000000, 0.0037377400000000 ] - [ 0.0004546200000000, -0.0001083900000000, 0.0033863600000000 ] - [ -0.0004653600000000, 0.0000000000000000, 0.0034953900000000 ] - [ 0.0002455900000000, 0.0003156100000000, 0.0032724500000000 ] - [ 0.0006006700000000, 0.0000000000000000, 0.0044307700000000 ] - [ 0.0007632900000000, 0.0000540200000000, 0.0030588200000000 ] - [ 0.0001129300000000, 0.0000000000000000, 0.0045945900000000 ] - [ 0.0002455900000000, -0.0003156100000000, 0.0032724500000000 ] - [ -0.0009719100000000, -0.0002930800000000, 0.0045346600000000 ] - [ 0.0003175400000000, 0.0000000000000000, 0.0037889200000000 ] - [ 0.0013733300000000, 0.0000000000000000, 0.0041068500000000 ] - [ -0.0012314700000000, 0.0000000000000000, 0.0025256400000000 ] - [ 0.0000356200000000, 0.0000000000000000, 0.0024567100000000 ] - [ -0.0000660400000000, 0.0000000000000000, 0.0029564800000000 ] - [ -0.0001678000000000, 0.0000000000000000, 0.0024068400000000 ] - [ 0.0008311200000000, 0.0000000000000000, 0.0012484900000000 ] - [ 0.0000195900000000, 0.0000000000000000, 0.0026230200000000 ] - [ 0.0003177600000000, 0.0000000000000000, 0.0032827800000000 ] - [ 0.0001419600000000, 0.0000000000000000, 0.0022730000000000 ] - [ 0.0048595000000000, 0.0032338300000000, -0.0024164200000000 ] - [ 0.0045299800000000, 0.0000000000000000, 0.0102590800000000 ] - [ -0.0020085000000000, 0.0001596200000000, 0.0011581300000000 ] - [ -0.0069643500000000, 0.0000000000000000, -0.0051678700000000 ] - [ 0.0099471400000000, -0.0057122600000000, 0.0094637600000000 ] - [ -0.0076835000000000, 0.0000000000000000, 0.0074489400000000 ] - [ -0.0031275700000000, 0.0000000000000000, -0.0008207700000000 ] - [ 0.0102441100000000, -0.0174518100000000, 0.0325852800000000 ] - [ 0.0011811900000000, 0.0000000000000000, -0.0017002200000000 ] - [ 0.0099471400000000, 0.0057122600000000, 0.0094637600000000 ] - [ 0.0028780400000000, 0.0000000000000000, 0.0075095600000000 ] - [ 0.0102441100000000, 0.0174518100000000, 0.0325852800000000 ] - [ 0.0002129800000000, 0.0000840100000000, -0.0030386100000000 ] - [ 0.0053792300000000, 0.0000000000000000, -0.0070859800000000 ] - [ 0.0036710300000000, 0.0000000000000000, 0.1667132500000000 ] - [ 0.0002129800000000, -0.0000840100000000, -0.0030386100000000 ] - [ 0.0008675100000000, -0.0005177000000000, -0.0000263100000000 ] - [ -0.0000374300000000, 0.0000000000000000, -0.0019676700000000 ] - [ 0.0003040000000000, 0.0000000000000000, -0.0020199900000000 ] - [ -0.0026363000000000, -0.0019020800000000, -0.0054568000000000 ] - [ 0.0000213300000000, -0.0000399100000000, -0.0021819700000000 ] - [ 0.0000777700000000, 0.0000000000000000, -0.0028060600000000 ] - [ -0.0007305000000000, 0.0000000000000000, -0.0035767000000000 ] - [ 0.0001212600000000, 0.0000143800000000, -0.0028456000000000 ] - [ 0.0000530800000000, 0.0000000000000000, -0.0022607700000000 ] - [ -0.0000550700000000, 0.0000424800000000, -0.0022889800000000 ] - [ 0.0001212600000000, -0.0000143800000000, -0.0028456000000000 ] - [ -0.0001577800000000, 0.0000000000000000, -0.0025679600000000 ] - [ 0.0001123000000000, 0.0001603500000000, -0.0017936700000000 ] - [ 0.0005898100000000, 0.0000000000000000, -0.0020933000000000 ] - [ 0.0000882900000000, 0.0000000000000000, -0.0024425800000000 ] - [ -0.0001919800000000, 0.0000000000000000, -0.0010619000000000 ] - [ -0.0000963700000000, 0.0002954600000000, -0.0018149600000000 ] - [ 0.0001123000000000, -0.0001603500000000, -0.0017936700000000 ] - [ -0.0002401700000000, 0.0000000000000000, -0.0016789200000000 ] - [ -0.0000963700000000, -0.0002954600000000, -0.0018149600000000 ] - [ 0.0001629500000000, 0.0000000000000000, -0.0007384900000000 ] - [ 0.0004893000000000, 0.0000000000000000, -0.0026035400000000 ] - [ -0.0012241800000000, 0.0002792500000000, -0.0018425900000000 ] - [ 0.0007271500000000, -0.0004740000000000, -0.0011923800000000 ] - [ -0.0020085000000000, -0.0001596200000000, 0.0011581300000000 ] - [ -0.0052677700000000, 0.0000000000000000, 0.0079378900000000 ] - [ 0.0048595000000000, -0.0032338300000000, -0.0024164200000000 ] - [ 0.0016018900000000, 0.0000000000000000, 0.0008506500000000 ] - [ -0.0057461700000000, 0.0001133000000000, 0.0043199600000000 ] - [ -0.0049923500000000, 0.0000000000000000, 0.0287643100000000 ] - [ 0.0016645800000000, 0.0000000000000000, 0.0023050700000000 ] - [ 0.0009347000000000, -0.0012969200000000, 0.0055302500000000 ] - [ -0.0018259600000000, 0.0000000000000000, 0.0003466400000000 ] - [ -0.0057461700000000, -0.0001133000000000, 0.0043199600000000 ] - [ -0.0003172300000000, 0.0000000000000000, 0.0043141400000000 ] - [ 0.0009347000000000, 0.0012969200000000, 0.0055302500000000 ] - [ -0.0001903100000000, 0.0000222000000000, -0.0015793500000000 ] - [ -0.0014283100000000, 0.0000000000000000, 0.0001445600000000 ] - [ -0.0012757800000000, 0.0000000000000000, 0.0044728800000000 ] - [ -0.0001903100000000, -0.0000222000000000, -0.0015793500000000 ] - [ -0.0026363000000000, 0.0019020800000000, -0.0054568000000000 ] - [ -0.0001005500000000, 0.0000000000000000, -0.0025033400000000 ] - [ -0.0007141500000000, 0.0000000000000000, -0.0030533600000000 ] - [ 0.0008675100000000, 0.0005177000000000, -0.0000263100000000 ] - [ -0.0000550700000000, -0.0000424800000000, -0.0022889800000000 ] - [ 0.0002669300000000, 0.0000000000000000, -0.0024493200000000 ] - [ 0.0009957900000000, 0.0000000000000000, -0.0028457800000000 ] - [ -0.0003291800000000, 0.0000018300000000, -0.0029373500000000 ] - [ 0.0001639800000000, 0.0000000000000000, -0.0021491600000000 ] - [ 0.0000213300000000, 0.0000399100000000, -0.0021819700000000 ] - [ -0.0003291800000000, -0.0000018300000000, -0.0029373500000000 ] - [ -0.0002382600000000, 0.0000000000000000, -0.0025974100000000 ] - [ -0.0000773600000000, 0.0001378900000000, -0.0024596300000000 ] - [ 0.0004618300000000, 0.0000000000000000, -0.0022389700000000 ] - [ 0.0000362900000000, 0.0000000000000000, -0.0024667000000000 ] - [ 0.0002289700000000, 0.0000000000000000, -0.0041097300000000 ] - [ -0.0000296300000000, 0.0002806300000000, -0.0019023100000000 ] - [ -0.0000773600000000, -0.0001378900000000, -0.0024596300000000 ] - [ 0.0003922700000000, 0.0000000000000000, -0.0019026100000000 ] - [ -0.0000296300000000, -0.0002806300000000, -0.0019023100000000 ] - [ 0.0005747800000000, 0.0000000000000000, -0.0023966600000000 ] - [ -0.0001017600000000, 0.0000000000000000, -0.0025349700000000 ] - [ 0.0007271500000000, 0.0004740000000000, -0.0011923800000000 ] - [ -0.0012241800000000, -0.0002792500000000, -0.0018425900000000 ]- atom: 9 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0023063700000000, 0.0000000000000000, -0.0199101100000000 ] - [ 0.0034892900000000, 0.0000000000000000, -0.0025107200000000 ] - [ 0.0098514800000000, 0.0019356600000000, 0.0042340700000000 ] - [ -0.0088411300000000, 0.0000000000000000, 0.0143616800000000 ] - [ -0.0140889600000000, 0.0060889700000000, 0.0006096700000000 ] - [ 0.0108951200000000, -0.0156829200000000, -0.0170731200000000 ] - [ -0.0016241000000000, 0.0000000000000000, 0.0332286200000000 ] - [ 0.0108951200000000, 0.0156829200000000, -0.0170731200000000 ] - [ 0.0219529800000000, 0.0000000000000000, 0.2665513400000000 ] - [ 0.0000777600000000, 0.0000000000000000, -0.0018956200000000 ] - [ 0.0002922800000000, -0.0001017200000000, -0.0032005800000000 ] - [ 0.0003148100000000, 0.0000000000000000, -0.0034435200000000 ] - [ -0.0035144600000000, 0.0000000000000000, -0.0028542500000000 ] - [ -0.0000823500000000, 0.0000000000000000, -0.0045697800000000 ] - [ 0.0002922800000000, 0.0001017200000000, -0.0032005800000000 ] - [ -0.0001954000000000, 0.0000000000000000, -0.0030307400000000 ] - [ -0.0000580500000000, -0.0002158600000000, -0.0031678700000000 ] - [ 0.0005555200000000, 0.0000000000000000, -0.0023728500000000 ] - [ 0.0007627300000000, -0.0000619200000000, -0.0036016600000000 ] - [ 0.0001088000000000, 0.0000000000000000, -0.0030730600000000 ] - [ -0.0000580500000000, 0.0002158600000000, -0.0031678700000000 ] - [ -0.0009883400000000, -0.0001808400000000, -0.0021105500000000 ] - [ 0.0003152200000000, 0.0000000000000000, -0.0030873600000000 ] - [ 0.0015268000000000, 0.0000000000000000, -0.0015937100000000 ] - [ -0.0002417500000000, 0.0000000000000000, -0.0001368500000000 ] - [ -0.0019178900000000, 0.0000000000000000, 0.0036149300000000 ] - [ -0.0140889600000000, -0.0060889700000000, 0.0006096700000000 ] - [ 0.0081528400000000, 0.0000000000000000, 0.0138661500000000 ] - [ 0.0098514800000000, -0.0019356600000000, 0.0042340700000000 ] - [ -0.0020840900000000, 0.0001236900000000, 0.0019930500000000 ] - [ -0.0056647100000000, 0.0000000000000000, 0.0178502900000000 ] - [ -0.0020840900000000, -0.0001236900000000, 0.0019930500000000 ] - [ -0.0020875100000000, 0.0000000000000000, 0.0114605300000000 ] - [ -0.0003627700000000, 0.0000000000000000, -0.0071041800000000 ] - [ -0.0002594800000000, -0.0002562500000000, -0.0041322100000000 ] - [ 0.0003941600000000, 0.0000000000000000, -0.0034237000000000 ] - [ 0.0042889500000000, 0.0000000000000000, -0.0021581100000000 ] - [ 0.0001387100000000, 0.0000000000000000, -0.0044055700000000 ] - [ -0.0002594800000000, 0.0002562500000000, -0.0041322100000000 ] - [ 0.0011738100000000, 0.0000000000000000, -0.0038334600000000 ] - [ -0.0001291300000000, -0.0002317200000000, -0.0032732800000000 ] - [ -0.0008523900000000, 0.0000000000000000, -0.0038605000000000 ] - [ -0.0009883400000000, 0.0001808400000000, -0.0021105500000000 ] - [ 0.0003016800000000, 0.0000000000000000, -0.0035137900000000 ] - [ -0.0001291300000000, 0.0002317200000000, -0.0032732800000000 ] - [ 0.0007627300000000, 0.0000619200000000, -0.0036016600000000 ] - [ 0.0000753700000000, 0.0000000000000000, -0.0030366900000000 ] - [ -0.0013239700000000, 0.0000000000000000, -0.0043494100000000 ] - [ 0.0010621200000000, 0.0000000000000000, -0.0029549700000000 ] - [ 0.0000222900000000, 0.0000000000000000, -0.0024283000000000 ] - [ 0.0003320300000000, 0.0000000000000000, -0.0019366300000000 ] - [ 0.0001459300000000, 0.0000000000000000, -0.0029345400000000 ] - [ -0.0009979500000000, 0.0000000000000000, -0.0016754500000000 ] - [ 0.0000379000000000, 0.0000000000000000, -0.0025945500000000 ] - [ -0.0000558300000000, 0.0000000000000000, -0.0022654900000000 ] - [ -0.0001634900000000, 0.0000000000000000, -0.0028003800000000 ] - [ -0.0049320000000000, -0.0032286600000000, 0.0026210600000000 ] - [ -0.0047124800000000, 0.0000000000000000, -0.0108391600000000 ] - [ 0.0020067000000000, -0.0002396700000000, -0.0009642100000000 ] - [ 0.0063896700000000, 0.0000000000000000, 0.0041820100000000 ] - [ -0.0101661300000000, 0.0054646300000000, -0.0100855300000000 ] - [ 0.0072260700000000, 0.0000000000000000, -0.0074370200000000 ] - [ 0.0026917800000000, 0.0000000000000000, 0.0006022400000000 ] - [ -0.0108100300000000, 0.0182074900000000, -0.0330188300000000 ] - [ -0.0020764500000000, 0.0000000000000000, 0.0009590100000000 ] - [ -0.0101661300000000, -0.0054646300000000, -0.0100855300000000 ] - [ -0.0030245100000000, 0.0000000000000000, -0.0079289500000000 ] - [ -0.0108100300000000, -0.0182074900000000, -0.0330188300000000 ] - [ -0.0002591700000000, 0.0000000600000000, 0.0029272500000000 ] - [ -0.0050167700000000, 0.0000000000000000, 0.0069581100000000 ] - [ -0.0035427200000000, 0.0000000000000000, -0.1558379400000000 ] - [ -0.0002591700000000, -0.0000000600000000, 0.0029272500000000 ] - [ -0.0009771800000000, 0.0002212800000000, 0.0000729800000000 ] - [ -0.0000667600000000, 0.0000000000000000, 0.0020978200000000 ] - [ -0.0006696600000000, 0.0000000000000000, 0.0013379700000000 ] - [ 0.0025421200000000, 0.0022074400000000, 0.0055004800000000 ] - [ -0.0000627100000000, -0.0000462700000000, 0.0024890000000000 ] - [ 0.0001881400000000, 0.0000000000000000, 0.0023251400000000 ] - [ 0.0010727000000000, 0.0000000000000000, 0.0031431300000000 ] - [ -0.0002994000000000, -0.0000761300000000, 0.0018343600000000 ] - [ 0.0001657300000000, 0.0000000000000000, 0.0025762100000000 ] - [ 0.0000137900000000, 0.0000440600000000, 0.0025959300000000 ] - [ -0.0002994000000000, 0.0000761300000000, 0.0018343600000000 ] - [ -0.0002309800000000, 0.0000000000000000, 0.0021762500000000 ] - [ -0.0000728100000000, 0.0001654200000000, 0.0021996800000000 ] - [ 0.0002236300000000, 0.0000000000000000, 0.0023890800000000 ] - [ 0.0000397500000000, 0.0000000000000000, 0.0021766300000000 ] - [ 0.0001041200000000, 0.0000000000000000, 0.0017995900000000 ] - [ 0.0000851800000000, 0.0000772000000000, 0.0027302300000000 ] - [ -0.0000728100000000, -0.0001654200000000, 0.0021996800000000 ] - [ 0.0003763500000000, 0.0000000000000000, 0.0027909600000000 ] - [ 0.0000851800000000, -0.0000772000000000, 0.0027302300000000 ] - [ -0.0000458500000000, 0.0000000000000000, 0.0014097800000000 ] - [ -0.0000882400000000, 0.0000000000000000, 0.0026895800000000 ] - [ 0.0010939100000000, -0.0000242300000000, 0.0028115800000000 ] - [ -0.0008761100000000, 0.0002250900000000, 0.0021579600000000 ] - [ 0.0020067000000000, 0.0002396700000000, -0.0009642100000000 ] - [ 0.0050577100000000, 0.0000000000000000, -0.0085063500000000 ] - [ -0.0049320000000000, 0.0032286600000000, 0.0026210600000000 ] - [ -0.0023015800000000, 0.0000000000000000, -0.0018988600000000 ] - [ 0.0054566900000000, -0.0003345900000000, -0.0049648200000000 ] - [ 0.0046839200000000, 0.0000000000000000, -0.0286524400000000 ] - [ -0.0021064600000000, 0.0000000000000000, -0.0024867200000000 ] - [ -0.0010704500000000, 0.0012923000000000, -0.0058643900000000 ] - [ 0.0009206100000000, 0.0000000000000000, -0.0010917200000000 ] - [ 0.0054566900000000, 0.0003345900000000, -0.0049648200000000 ] - [ 0.0001436000000000, 0.0000000000000000, -0.0047616900000000 ] - [ -0.0010704500000000, -0.0012923000000000, -0.0058643900000000 ] - [ 0.0001407100000000, 0.0000628300000000, 0.0014669100000000 ] - [ 0.0018204100000000, 0.0000000000000000, -0.0003097700000000 ] - [ 0.0018392600000000, 0.0000000000000000, -0.0042421700000000 ] - [ 0.0001407100000000, -0.0000628300000000, 0.0014669100000000 ] - [ 0.0025421200000000, -0.0022074400000000, 0.0055004800000000 ] - [ -0.0000027100000000, 0.0000000000000000, 0.0026336600000000 ] - [ 0.0003499800000000, 0.0000000000000000, 0.0023695000000000 ] - [ -0.0009771800000000, -0.0002212800000000, 0.0000729800000000 ] - [ 0.0000137900000000, -0.0000440600000000, 0.0025959300000000 ] - [ -0.0000020000000000, 0.0000000000000000, 0.0019689300000000 ] - [ -0.0006571200000000, 0.0000000000000000, 0.0024169400000000 ] - [ 0.0001510400000000, -0.0000635400000000, 0.0019253000000000 ] - [ 0.0000538400000000, 0.0000000000000000, 0.0024640500000000 ] - [ -0.0000627100000000, 0.0000462700000000, 0.0024890000000000 ] - [ 0.0001510400000000, 0.0000635400000000, 0.0019253000000000 ] - [ -0.0001499500000000, 0.0000000000000000, 0.0022056200000000 ] - [ 0.0001192400000000, 0.0001883100000000, 0.0028718800000000 ] - [ 0.0003527000000000, 0.0000000000000000, 0.0025359700000000 ] - [ 0.0000917200000000, 0.0000000000000000, 0.0022009400000000 ] - [ -0.0003219200000000, 0.0000000000000000, 0.0048793800000000 ] - [ 0.0000176500000000, 0.0000921300000000, 0.0028186600000000 ] - [ 0.0001192400000000, -0.0001883100000000, 0.0028718800000000 ] - [ -0.0002623800000000, 0.0000000000000000, 0.0030174700000000 ] - [ 0.0000176500000000, -0.0000921300000000, 0.0028186600000000 ] - [ -0.0004578100000000, 0.0000000000000000, 0.0030822400000000 ] - [ 0.0005077900000000, 0.0000000000000000, 0.0026193200000000 ] - [ -0.0008761100000000, -0.0002250900000000, 0.0021579600000000 ] - [ 0.0010939100000000, 0.0000242300000000, 0.0028115800000000 ]- atom: 10 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0004238800000000, 0.0000000000000000, 0.0004088600000000 ] - [ 0.0006783000000000, 0.0000000000000000, -0.0004426600000000 ] - [ -0.0000554000000000, -0.0000216300000000, 0.0007044500000000 ] - [ 0.0039772400000000, 0.0000000000000000, 0.0033775200000000 ] - [ 0.0000917500000000, 0.0000711300000000, -0.0004566900000000 ] - [ 0.0064245400000000, -0.0020675100000000, -0.0021321700000000 ] - [ 0.0009583100000000, 0.0000000000000000, -0.0021653200000000 ] - [ 0.0064245400000000, 0.0020675100000000, -0.0021321700000000 ] - [ 0.0015666000000000, 0.0000000000000000, -0.0002636000000000 ] - [ -0.1470701000000000, 0.0000000000000000, -0.0068313600000000 ] - [ -0.0231904900000000, 0.0149578500000000, 0.0139633900000000 ] - [ 0.0007766400000000, 0.0000000000000000, -0.0002107300000000 ] - [ 0.0264211600000000, 0.0000000000000000, -0.0014708200000000 ] - [ 0.0014104900000000, 0.0000000000000000, -0.0021635500000000 ] - [ -0.0231904900000000, -0.0149578500000000, 0.0139633900000000 ] - [ 0.0078810200000000, 0.0000000000000000, -0.0248558800000000 ] - [ -0.0002224500000000, 0.0002207400000000, 0.0007308800000000 ] - [ -0.0001900000000000, 0.0000000000000000, 0.0004603200000000 ] - [ -0.0001051700000000, 0.0001212200000000, 0.0005869800000000 ] - [ 0.0002031400000000, 0.0000000000000000, 0.0008043500000000 ] - [ -0.0002224500000000, -0.0002207400000000, 0.0007308800000000 ] - [ -0.0001162400000000, -0.0001079500000000, 0.0005983600000000 ] - [ -0.0000265100000000, 0.0000000000000000, 0.0004865900000000 ] - [ -0.0000228600000000, 0.0000000000000000, 0.0001246100000000 ] - [ -0.0000823600000000, 0.0000000000000000, 0.0004552100000000 ] - [ -0.0007676600000000, 0.0000000000000000, -0.0003051800000000 ] - [ 0.0000917500000000, -0.0000711300000000, -0.0004566900000000 ] - [ -0.0007791500000000, 0.0000000000000000, -0.0035870500000000 ] - [ -0.0000554000000000, 0.0000216300000000, 0.0007044500000000 ] - [ -0.0205707500000000, -0.0163921200000000, 0.0134481900000000 ] - [ -0.0030056800000000, 0.0000000000000000, 0.0019998300000000 ] - [ -0.0205707500000000, 0.0163921200000000, 0.0134481900000000 ] - [ -0.0014659400000000, 0.0000000000000000, 0.0006199800000000 ] - [ 0.0074767000000000, 0.0000000000000000, -0.0017499100000000 ] - [ 0.0065087400000000, 0.0019496100000000, -0.0024413900000000 ] - [ -0.0006173200000000, 0.0000000000000000, -0.0001756700000000 ] - [ 0.0076802800000000, 0.0000000000000000, -0.0025683900000000 ] - [ -0.0038473400000000, 0.0000000000000000, 0.0017665000000000 ] - [ 0.0065087400000000, -0.0019496100000000, -0.0024413900000000 ] - [ 0.0059536300000000, 0.0000000000000000, 0.0021039700000000 ] - [ 0.0001671000000000, 0.0000452300000000, -0.0003970100000000 ] - [ -0.0000518300000000, 0.0000000000000000, 0.0003558000000000 ] - [ -0.0001162400000000, 0.0001079500000000, 0.0005983600000000 ] - [ 0.0001789900000000, 0.0000000000000000, 0.0005609600000000 ] - [ 0.0001671000000000, -0.0000452300000000, -0.0003970100000000 ] - [ -0.0001051700000000, -0.0001212200000000, 0.0005869800000000 ] - [ 0.0004679500000000, 0.0000000000000000, 0.0005197300000000 ] - [ 0.0000930300000000, 0.0000000000000000, -0.0001019200000000 ] - [ 0.0221212100000000, 0.0000000000000000, 0.0007838000000000 ] - [ -0.0009468600000000, 0.0000000000000000, 0.0000255700000000 ] - [ 0.0000860000000000, 0.0000000000000000, 0.0006825100000000 ] - [ 0.0027806100000000, 0.0000000000000000, 0.0030193000000000 ] - [ 0.0013664000000000, 0.0000000000000000, 0.0005934000000000 ] - [ 0.0013189400000000, 0.0000000000000000, 0.0002134000000000 ] - [ 0.0001823600000000, 0.0000000000000000, 0.0005282000000000 ] - [ 0.0001048900000000, 0.0000000000000000, -0.0034077100000000 ] - [ -0.0002983500000000, 0.0000179000000000, -0.0001091600000000 ] - [ -0.0007481100000000, 0.0000000000000000, -0.0011145500000000 ] - [ 0.0002382400000000, -0.0000594100000000, 0.0001501100000000 ] - [ -0.0004599200000000, 0.0000000000000000, -0.0003683700000000 ] - [ -0.0005649200000000, -0.0000931700000000, 0.0018302900000000 ] - [ 0.0003999900000000, 0.0000000000000000, 0.0003152500000000 ] - [ -0.0002560300000000, 0.0000000000000000, 0.0000337000000000 ] - [ -0.0006113900000000, -0.0000274500000000, 0.0003313200000000 ] - [ -0.0088617000000000, 0.0000000000000000, 0.0051169300000000 ] - [ -0.0005649200000000, 0.0000931700000000, 0.0018302900000000 ] - [ -0.0036563300000000, 0.0000000000000000, 0.0012688700000000 ] - [ -0.0006113900000000, 0.0000274500000000, 0.0003313200000000 ] - [ -0.0063733900000000, -0.0010443800000000, -0.0003569500000000 ] - [ -0.0055644600000000, 0.0000000000000000, 0.0015265500000000 ] - [ -0.0015181500000000, 0.0000000000000000, 0.0005320200000000 ] - [ -0.0063733900000000, 0.0010443800000000, -0.0003569500000000 ] - [ 0.0307916000000000, -0.0214928900000000, -0.0085209500000000 ] - [ 0.0102466700000000, 0.0000000000000000, -0.0002007300000000 ] - [ 0.0326188100000000, 0.0000000000000000, -0.0004215500000000 ] - [ -0.0078937300000000, -0.0022648900000000, -0.0007994900000000 ] - [ 0.0007794200000000, -0.0001641600000000, -0.0000737100000000 ] - [ -0.0029570100000000, 0.0000000000000000, 0.0005879400000000 ] - [ -0.0071421700000000, 0.0000000000000000, 0.0049421800000000 ] - [ -0.0005387400000000, -0.0025037800000000, -0.0058440300000000 ] - [ 0.0000078500000000, 0.0000000000000000, 0.0002722700000000 ] - [ -0.0005821500000000, 0.0000724900000000, 0.0005400700000000 ] - [ -0.0005387400000000, 0.0025037800000000, -0.0058440300000000 ] - [ -0.0004271400000000, 0.0000000000000000, -0.0016028900000000 ] - [ 0.0000325800000000, 0.0001603900000000, 0.0000729500000000 ] - [ 0.0005422900000000, 0.0000000000000000, -0.0000597500000000 ] - [ -0.0002837600000000, 0.0000000000000000, -0.0008553000000000 ] - [ -0.0000056900000000, 0.0000000000000000, 0.0002648700000000 ] - [ -0.0002221900000000, 0.0001844500000000, 0.0002040900000000 ] - [ 0.0000325800000000, -0.0001603900000000, 0.0000729500000000 ] - [ 0.0000408300000000, 0.0000000000000000, 0.0004515400000000 ] - [ -0.0002221900000000, -0.0001844500000000, 0.0002040900000000 ] - [ 0.0001103300000000, 0.0000000000000000, 0.0002469300000000 ] - [ 0.0002388400000000, 0.0000000000000000, -0.0000477600000000 ] - [ -0.0000887800000000, 0.0001308000000000, 0.0004458000000000 ] - [ -0.0000667600000000, -0.0001498800000000, 0.0003751100000000 ] - [ 0.0002382400000000, 0.0000594100000000, 0.0001501100000000 ] - [ 0.0003039300000000, 0.0000000000000000, 0.0005230900000000 ] - [ -0.0002983500000000, -0.0000179000000000, -0.0001091600000000 ] - [ -0.0002035900000000, 0.0000000000000000, -0.0007279000000000 ] - [ -0.0004432200000000, 0.0020977500000000, -0.0050234900000000 ] - [ -0.0007710000000000, 0.0000000000000000, -0.0010427000000000 ] - [ -0.0001374600000000, 0.0000000000000000, -0.0003729100000000 ] - [ 0.0006866100000000, 0.0001833500000000, -0.0006096000000000 ] - [ 0.0090350300000000, 0.0000000000000000, -0.0042987300000000 ] - [ -0.0004432200000000, -0.0020977500000000, -0.0050234900000000 ] - [ 0.0046398400000000, 0.0000000000000000, 0.0021629700000000 ] - [ 0.0006866100000000, -0.0001833500000000, -0.0006096000000000 ] - [ 0.0238323700000000, -0.0019647900000000, 0.0051125100000000 ] - [ 0.0184854700000000, 0.0000000000000000, -0.0060769700000000 ] - [ 0.0058903600000000, 0.0000000000000000, -0.0021866400000000 ] - [ 0.0238323700000000, 0.0019647900000000, 0.0051125100000000 ] - [ -0.0078937300000000, 0.0022648900000000, -0.0007994900000000 ] - [ -0.0028811300000000, 0.0000000000000000, -0.0001913200000000 ] - [ -0.0053380100000000, 0.0000000000000000, 0.0007431400000000 ] - [ 0.0307916000000000, 0.0214928900000000, -0.0085209500000000 ] - [ -0.0005821500000000, -0.0000724900000000, 0.0005400700000000 ] - [ 0.0059203500000000, 0.0000000000000000, 0.0033699500000000 ] - [ 0.0036707900000000, 0.0000000000000000, -0.0051726600000000 ] - [ -0.0014702600000000, -0.0000801500000000, 0.0024412900000000 ] - [ 0.0002969900000000, 0.0000000000000000, -0.0001319100000000 ] - [ 0.0007794200000000, 0.0001641600000000, -0.0000737100000000 ] - [ -0.0014702600000000, 0.0000801500000000, 0.0024412900000000 ] - [ 0.0000539600000000, 0.0000000000000000, 0.0003721900000000 ] - [ 0.0000116900000000, 0.0001637100000000, 0.0001686700000000 ] - [ 0.0003000900000000, 0.0000000000000000, 0.0002479900000000 ] - [ 0.0002996800000000, 0.0000000000000000, 0.0004242500000000 ] - [ -0.0000873500000000, 0.0000000000000000, 0.0002765700000000 ] - [ 0.0001829800000000, 0.0001697200000000, 0.0005113000000000 ] - [ 0.0000116900000000, -0.0001637100000000, 0.0001686700000000 ] - [ 0.0000943900000000, 0.0000000000000000, 0.0004824700000000 ] - [ 0.0001829800000000, -0.0001697200000000, 0.0005113000000000 ] - [ 0.0000400300000000, 0.0000000000000000, 0.0002799900000000 ] - [ 0.0001618300000000, 0.0000000000000000, -0.0000619400000000 ] - [ -0.0000667600000000, 0.0001498800000000, 0.0003751100000000 ] - [ -0.0000887800000000, -0.0001308000000000, 0.0004458000000000 ]- atom: 10 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0001347400000000, 0.0000000000000000, 0.0001811800000000 ] - [ -0.0008018900000000, 0.0000000000000000, -0.0003395100000000 ] - [ 0.0002190000000000, 0.0001001600000000, -0.0007788100000000 ] - [ -0.0041897700000000, 0.0000000000000000, -0.0040856400000000 ] - [ 0.0000653400000000, -0.0001503800000000, 0.0003819400000000 ] - [ -0.0064569400000000, 0.0020294800000000, 0.0021093900000000 ] - [ -0.0011668800000000, 0.0000000000000000, 0.0023161900000000 ] - [ -0.0064569400000000, -0.0020294800000000, 0.0021093900000000 ] - [ -0.0017626200000000, 0.0000000000000000, 0.0003773900000000 ] - [ 0.1481071700000000, 0.0000000000000000, 0.0061384000000000 ] - [ 0.0232881500000000, -0.0151222700000000, -0.0147470100000000 ] - [ -0.0006844200000000, 0.0000000000000000, -0.0002075800000000 ] - [ -0.0259594700000000, 0.0000000000000000, 0.0011506300000000 ] - [ -0.0013465100000000, 0.0000000000000000, 0.0015073900000000 ] - [ 0.0232881500000000, 0.0151222700000000, -0.0147470100000000 ] - [ -0.0071172900000000, 0.0000000000000000, 0.0247047000000000 ] - [ 0.0003377300000000, -0.0001365800000000, -0.0007267000000000 ] - [ -0.0000525600000000, 0.0000000000000000, 0.0001258000000000 ] - [ -0.0001116700000000, 0.0001132100000000, 0.0003596900000000 ] - [ 0.0002104200000000, 0.0000000000000000, 0.0002856200000000 ] - [ 0.0003377300000000, 0.0001365800000000, -0.0007267000000000 ] - [ -0.0001012400000000, -0.0001265400000000, 0.0003486300000000 ] - [ 0.0004210400000000, 0.0000000000000000, 0.0002700700000000 ] - [ 0.0000873800000000, 0.0000000000000000, -0.0003784300000000 ] - [ 0.0003710000000000, 0.0000000000000000, 0.0001362400000000 ] - [ 0.0006415200000000, 0.0000000000000000, -0.0004706400000000 ] - [ 0.0000653400000000, 0.0001503800000000, 0.0003819400000000 ] - [ 0.0005268300000000, 0.0000000000000000, 0.0029017500000000 ] - [ 0.0002190000000000, -0.0001001600000000, -0.0007788100000000 ] - [ 0.0206857000000000, 0.0164151600000000, -0.0134380000000000 ] - [ 0.0028236400000000, 0.0000000000000000, -0.0018362000000000 ] - [ 0.0206857000000000, -0.0164151600000000, -0.0134380000000000 ] - [ 0.0012661000000000, 0.0000000000000000, -0.0004925700000000 ] - [ -0.0074855100000000, 0.0000000000000000, 0.0017141500000000 ] - [ -0.0063087000000000, -0.0021175400000000, 0.0017339500000000 ] - [ 0.0007117500000000, 0.0000000000000000, -0.0002463500000000 ] - [ -0.0072022900000000, 0.0000000000000000, 0.0022955800000000 ] - [ 0.0038979300000000, 0.0000000000000000, -0.0024302200000000 ] - [ -0.0063087000000000, 0.0021175400000000, 0.0017339500000000 ] - [ -0.0052628600000000, 0.0000000000000000, -0.0024102400000000 ] - [ -0.0000484500000000, 0.0000395600000000, 0.0004020500000000 ] - [ -0.0001909300000000, 0.0000000000000000, 0.0002301200000000 ] - [ -0.0001012400000000, 0.0001265400000000, 0.0003486300000000 ] - [ 0.0002355300000000, 0.0000000000000000, 0.0005288100000000 ] - [ -0.0000484500000000, -0.0000395600000000, 0.0004020500000000 ] - [ -0.0001116700000000, -0.0001132100000000, 0.0003596900000000 ] - [ -0.0000743100000000, 0.0000000000000000, 0.0002376800000000 ] - [ -0.0000288600000000, 0.0000000000000000, -0.0001525200000000 ] - [ -0.0220764200000000, 0.0000000000000000, -0.0011042600000000 ] - [ 0.0010063500000000, 0.0000000000000000, 0.0000049700000000 ] - [ 0.0001777800000000, 0.0000000000000000, 0.0003398700000000 ] - [ -0.0028146900000000, 0.0000000000000000, -0.0035480800000000 ] - [ -0.0014668200000000, 0.0000000000000000, -0.0009689500000000 ] - [ -0.0012622000000000, 0.0000000000000000, -0.0001770500000000 ] - [ 0.0000815500000000, 0.0000000000000000, 0.0004945600000000 ] - [ -0.0001162300000000, 0.0000000000000000, 0.0028669300000000 ] - [ 0.0002823900000000, 0.0000563800000000, 0.0003290000000000 ] - [ 0.0005411900000000, 0.0000000000000000, 0.0005994100000000 ] - [ -0.0002529000000000, -0.0000143700000000, 0.0000686800000000 ] - [ -0.0002242100000000, 0.0000000000000000, -0.0006509400000000 ] - [ 0.0003209600000000, -0.0001216500000000, -0.0024918800000000 ] - [ -0.0007858900000000, 0.0000000000000000, -0.0002918800000000 ] - [ -0.0001825700000000, 0.0000000000000000, -0.0001592100000000 ] - [ 0.0004441500000000, 0.0000433000000000, -0.0006548100000000 ] - [ 0.0078805100000000, 0.0000000000000000, -0.0057921800000000 ] - [ 0.0003209600000000, 0.0001216500000000, -0.0024918800000000 ] - [ 0.0034772900000000, 0.0000000000000000, -0.0016987100000000 ] - [ 0.0004441500000000, -0.0000433000000000, -0.0006548100000000 ] - [ 0.0063264200000000, 0.0011209400000000, 0.0002212200000000 ] - [ 0.0059937100000000, 0.0000000000000000, -0.0016900500000000 ] - [ 0.0020975600000000, 0.0000000000000000, -0.0003076700000000 ] - [ 0.0063264200000000, -0.0011209400000000, 0.0002212200000000 ] - [ -0.0310346000000000, 0.0209944200000000, 0.0084312800000000 ] - [ -0.0103242400000000, 0.0000000000000000, 0.0003136500000000 ] - [ -0.0313626300000000, 0.0000000000000000, 0.0011771100000000 ] - [ 0.0077798100000000, 0.0025702700000000, 0.0008448500000000 ] - [ -0.0008207600000000, 0.0000756500000000, 0.0003788100000000 ] - [ 0.0032235200000000, 0.0000000000000000, -0.0010914800000000 ] - [ 0.0075044800000000, 0.0000000000000000, -0.0054339000000000 ] - [ 0.0003701200000000, 0.0024499100000000, 0.0048317600000000 ] - [ 0.0002100800000000, 0.0000000000000000, 0.0000401700000000 ] - [ 0.0005380500000000, 0.0000153400000000, -0.0002398000000000 ] - [ 0.0003701200000000, -0.0024499100000000, 0.0048317600000000 ] - [ 0.0000428600000000, 0.0000000000000000, 0.0012077500000000 ] - [ 0.0000078200000000, 0.0001649200000000, 0.0003318900000000 ] - [ 0.0002721200000000, 0.0000000000000000, 0.0003532000000000 ] - [ 0.0004137300000000, 0.0000000000000000, 0.0005858700000000 ] - [ -0.0000827000000000, 0.0000000000000000, 0.0004816100000000 ] - [ 0.0002112400000000, 0.0001881100000000, 0.0007082500000000 ] - [ 0.0000078200000000, -0.0001649200000000, 0.0003318900000000 ] - [ 0.0000930000000000, 0.0000000000000000, 0.0006571100000000 ] - [ 0.0002112400000000, -0.0001881100000000, 0.0007082500000000 ] - [ 0.0000033900000000, 0.0000000000000000, 0.0004318200000000 ] - [ 0.0001646000000000, 0.0000000000000000, 0.0001297100000000 ] - [ -0.0000495700000000, 0.0001171200000000, 0.0005211600000000 ] - [ -0.0000719000000000, -0.0000980200000000, 0.0005916100000000 ] - [ -0.0002529000000000, 0.0000143700000000, 0.0000686800000000 ] - [ -0.0005037600000000, 0.0000000000000000, -0.0010423800000000 ] - [ 0.0002823900000000, -0.0000563800000000, 0.0003290000000000 ] - [ -0.0004826100000000, 0.0000000000000000, -0.0002923800000000 ] - [ 0.0001753000000000, -0.0023227900000000, 0.0043590400000000 ] - [ 0.0003781300000000, 0.0000000000000000, 0.0010676000000000 ] - [ -0.0003028000000000, 0.0000000000000000, 0.0002456900000000 ] - [ -0.0008587700000000, -0.0001684100000000, 0.0002781400000000 ] - [ -0.0099822400000000, 0.0000000000000000, 0.0035636300000000 ] - [ 0.0001753000000000, 0.0023227900000000, 0.0043590400000000 ] - [ -0.0048273800000000, 0.0000000000000000, -0.0026489300000000 ] - [ -0.0008587700000000, 0.0001684100000000, 0.0002781400000000 ] - [ -0.0241263500000000, 0.0018567600000000, -0.0050113500000000 ] - [ -0.0200685600000000, 0.0000000000000000, 0.0048033600000000 ] - [ -0.0053331800000000, 0.0000000000000000, 0.0023997600000000 ] - [ -0.0241263500000000, -0.0018567600000000, -0.0050113500000000 ] - [ 0.0077798100000000, -0.0025702700000000, 0.0008448500000000 ] - [ 0.0027766600000000, 0.0000000000000000, 0.0003049200000000 ] - [ 0.0049562700000000, 0.0000000000000000, -0.0014474000000000 ] - [ -0.0310346000000000, -0.0209944200000000, 0.0084312800000000 ] - [ 0.0005380500000000, -0.0000153400000000, -0.0002398000000000 ] - [ -0.0056411200000000, 0.0000000000000000, -0.0038415100000000 ] - [ -0.0032948300000000, 0.0000000000000000, 0.0047459500000000 ] - [ 0.0012696000000000, 0.0000247800000000, -0.0034549400000000 ] - [ -0.0000781000000000, 0.0000000000000000, 0.0004459200000000 ] - [ -0.0008207600000000, -0.0000756500000000, 0.0003788100000000 ] - [ 0.0012696000000000, -0.0000247800000000, -0.0034549400000000 ] - [ -0.0004414300000000, 0.0000000000000000, -0.0007687700000000 ] - [ 0.0000286600000000, 0.0001615600000000, 0.0002361000000000 ] - [ 0.0005131800000000, 0.0000000000000000, 0.0000448400000000 ] - [ -0.0001732100000000, 0.0000000000000000, -0.0006923300000000 ] - [ -0.0000011600000000, 0.0000000000000000, 0.0004702600000000 ] - [ -0.0001948900000000, 0.0002026800000000, 0.0004016100000000 ] - [ 0.0000286600000000, -0.0001615600000000, 0.0002361000000000 ] - [ 0.0000391000000000, 0.0000000000000000, 0.0006263700000000 ] - [ -0.0001948900000000, -0.0002026800000000, 0.0004016100000000 ] - [ 0.0000733800000000, 0.0000000000000000, 0.0003991500000000 ] - [ 0.0002417500000000, 0.0000000000000000, 0.0001435100000000 ] - [ -0.0000719000000000, 0.0000980200000000, 0.0005916100000000 ] - [ -0.0000495700000000, -0.0001171200000000, 0.0005211600000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001442800000000, 0.0000288900000000, 0.0002970100000000 ] - [ -0.0000628600000000, -0.0001254200000000, -0.0003878300000000 ] - [ 0.0000095700000000, 0.0000433500000000, -0.0000905600000000 ] - [ -0.0001150500000000, 0.0003321000000000, -0.0003506600000000 ] - [ 0.0001551400000000, -0.0000369900000000, 0.0000600100000000 ] - [ -0.0017631300000000, 0.0000563600000000, -0.0001722600000000 ] - [ -0.0000998500000000, -0.0013384700000000, 0.0000845700000000 ] - [ 0.0017210500000000, 0.0000438000000000, 0.0001834800000000 ] - [ -0.0001000200000000, 0.0002418900000000, 0.0000616500000000 ] - [ -0.0011241600000000, -0.2141823700000000, 0.0019659200000000 ] - [ 0.0149882000000000, 0.0036092800000000, 0.0208579200000000 ] - [ 0.0000467600000000, -0.0001662600000000, -0.0002088400000000 ] - [ 0.0003243200000000, -0.0005969400000000, -0.0001213200000000 ] - [ 0.0000276800000000, -0.0018316800000000, -0.0003291300000000 ] - [ -0.0147536900000000, 0.0038526400000000, -0.0214454200000000 ] - [ 0.0003744400000000, -0.0240428000000000, -0.0002010800000000 ] - [ 0.0001221700000000, 0.0000431200000000, 0.0000546000000000 ] - [ -0.0001211800000000, -0.0000034000000000, 0.0002947500000000 ] - [ -0.0001106800000000, 0.0001175900000000, 0.0004725500000000 ] - [ 0.0002070200000000, -0.0000168700000000, 0.0005467100000000 ] - [ -0.0000048000000000, -0.0000414900000000, -0.0000469000000000 ] - [ -0.0001065700000000, -0.0001168800000000, 0.0004775700000000 ] - [ 0.0001970400000000, 0.0000195300000000, 0.0003801600000000 ] - [ 0.0000321600000000, 0.0000052700000000, -0.0001249400000000 ] - [ 0.0001447100000000, 0.0000248700000000, 0.0002968500000000 ] - [ -0.0000616500000000, -0.0001142900000000, -0.0003880200000000 ] - [ 0.0000048600000000, 0.0000417300000000, -0.0001299800000000 ] - [ -0.0001131200000000, 0.0029763300000000, -0.0003395700000000 ] - [ 0.0001503300000000, -0.0000354600000000, 0.0000186200000000 ] - [ -0.0170737800000000, 0.0036314500000000, -0.0216909800000000 ] - [ -0.0000981400000000, -0.0004801800000000, 0.0000770500000000 ] - [ 0.0169934200000000, 0.0037265500000000, 0.0215603300000000 ] - [ -0.0000967500000000, 0.0003049400000000, 0.0000602700000000 ] - [ -0.0000050900000000, -0.0004517800000000, -0.0000270000000000 ] - [ 0.0018174600000000, -0.0000751000000000, 0.0000926600000000 ] - [ 0.0000462700000000, -0.0001039500000000, -0.0002085800000000 ] - [ 0.0004093000000000, 0.0430050700000000, -0.0002299200000000 ] - [ 0.0000291500000000, -0.0006373500000000, -0.0003272800000000 ] - [ -0.0016217700000000, 0.0000697000000000, -0.0008307400000000 ] - [ 0.0003762700000000, -0.0008258700000000, -0.0001517900000000 ] - [ 0.0001513900000000, 0.0000409400000000, 0.0001250500000000 ] - [ -0.0001212500000000, -0.0000035800000000, 0.0002947700000000 ] - [ -0.0001107000000000, 0.0001178600000000, 0.0004727900000000 ] - [ 0.0002069500000000, -0.0000135500000000, 0.0005466700000000 ] - [ -0.0000345700000000, -0.0000435900000000, -0.0001179300000000 ] - [ -0.0001067200000000, -0.0001170900000000, 0.0004777400000000 ] - [ 0.0001970600000000, 0.0000279600000000, 0.0003800800000000 ] - [ 0.0000321000000000, 0.0000031100000000, -0.0001245800000000 ] - [ -0.0001069200000000, -0.0029932800000000, -0.0002134700000000 ] - [ 0.0000281900000000, 0.0001042100000000, 0.0000179200000000 ] - [ 0.0001318800000000, -0.0000004800000000, 0.0005123400000000 ] - [ -0.0000120200000000, 0.0002900300000000, -0.0002655400000000 ] - [ -0.0001784500000000, 0.0248416000000000, -0.0001596400000000 ] - [ 0.0000290700000000, 0.0001731100000000, 0.0000172200000000 ] - [ 0.0001318700000000, -0.0000010600000000, 0.0005124700000000 ] - [ -0.0000100100000000, 0.0025870200000000, -0.0002672100000000 ] - [ 0.0000149400000000, 0.0000302300000000, 0.0000801600000000 ] - [ -0.0001010200000000, -0.0000409300000000, -0.0002592500000000 ] - [ -0.0000165400000000, -0.0000418200000000, 0.0001333200000000 ] - [ -0.0003423200000000, -0.0000285800000000, -0.0005115000000000 ] - [ 0.0011604500000000, 0.0002543800000000, -0.0018394000000000 ] - [ -0.0001949400000000, 0.0001529300000000, 0.0000096500000000 ] - [ -0.0002196800000000, 0.0000276900000000, -0.0000653900000000 ] - [ 0.0000728500000000, 0.0000617000000000, -0.0004478900000000 ] - [ -0.0004507500000000, 0.0029378400000000, -0.0003760000000000 ] - [ -0.0014181900000000, 0.0004751900000000, 0.0011642800000000 ] - [ -0.0000798400000000, 0.0001291600000000, -0.0002297800000000 ] - [ -0.0002408900000000, 0.0000461600000000, 0.0001176600000000 ] - [ -0.0000367400000000, 0.0001210400000000, -0.0001972100000000 ] - [ 0.0002028000000000, -0.0040009900000000, -0.0000711600000000 ] - [ 0.0002898900000000, -0.0002188900000000, 0.0001085100000000 ] - [ -0.0000149700000000, 0.0000264500000000, 0.0000822500000000 ] - [ -0.0199901800000000, 0.0491169600000000, 0.0290747600000000 ] - [ -0.0000688500000000, 0.0070023300000000, 0.0000537600000000 ] - [ -0.0002727200000000, 0.0225874000000000, -0.0004268800000000 ] - [ -0.0000144900000000, 0.0002218500000000, -0.0001809700000000 ] - [ 0.0000069800000000, -0.0000229400000000, 0.0003829400000000 ] - [ 0.0001321400000000, 0.0005367000000000, -0.0002421900000000 ] - [ 0.0001739500000000, 0.0033492900000000, -0.0002128300000000 ] - [ 0.0002209900000000, 0.0003813400000000, 0.0003402500000000 ] - [ 0.0001092000000000, 0.0000467400000000, 0.0001556800000000 ] - [ 0.0001554900000000, 0.0001066200000000, -0.0001805300000000 ] - [ -0.0004008200000000, 0.0004262600000000, -0.0013615300000000 ] - [ -0.0001934000000000, 0.0000900300000000, -0.0001986700000000 ] - [ 0.0000193500000000, 0.0001641100000000, 0.0002051700000000 ] - [ 0.0004068500000000, -0.0000165600000000, 0.0001455800000000 ] - [ 0.0000637400000000, -0.0000177600000000, -0.0001355100000000 ] - [ -0.0000442800000000, -0.0000014200000000, 0.0003720500000000 ] - [ -0.0000266400000000, 0.0001894100000000, 0.0004849700000000 ] - [ 0.0000211000000000, -0.0001612900000000, 0.0001974600000000 ] - [ 0.0000667600000000, 0.0000026800000000, 0.0005532100000000 ] - [ 0.0000151100000000, -0.0001830000000000, 0.0004256700000000 ] - [ 0.0000572200000000, 0.0000005500000000, 0.0003382600000000 ] - [ 0.0002017800000000, -0.0000010000000000, 0.0000394800000000 ] - [ -0.0000693100000000, 0.0001248100000000, 0.0004804600000000 ] - [ -0.0000695600000000, -0.0001237800000000, 0.0004847200000000 ] - [ 0.0000004800000000, 0.0000317800000000, 0.0000828900000000 ] - [ -0.0001026500000000, -0.0001189000000000, -0.0002606200000000 ] - [ -0.0000300500000000, -0.0000435000000000, 0.0001364500000000 ] - [ -0.0003425100000000, -0.0000344500000000, -0.0005112200000000 ] - [ -0.0002500200000000, -0.0000093800000000, -0.0008724700000000 ] - [ -0.0001945000000000, 0.0000605500000000, 0.0000107400000000 ] - [ -0.0002196900000000, 0.0000335800000000, -0.0000648100000000 ] - [ -0.0001599000000000, 0.0000473800000000, -0.0004455200000000 ] - [ -0.0004378500000000, -0.0111297400000000, -0.0003363400000000 ] - [ -0.0000060000000000, 0.0002015000000000, 0.0002072700000000 ] - [ -0.0001014900000000, -0.0037550600000000, -0.0002323300000000 ] - [ -0.0000103400000000, 0.0000329800000000, 0.0001170300000000 ] - [ -0.0031980700000000, 0.0128729300000000, 0.0094642900000000 ] - [ 0.0002723500000000, 0.0181962200000000, -0.0000422900000000 ] - [ 0.0002961300000000, 0.0043298400000000, 0.0001133800000000 ] - [ 0.0028163900000000, 0.0135355100000000, -0.0090280900000000 ] - [ -0.0000932500000000, -0.0000655600000000, 0.0002263400000000 ] - [ -0.0000516700000000, -0.0001926300000000, 0.0000627300000000 ] - [ -0.0001802100000000, -0.0020592200000000, -0.0003481200000000 ] - [ 0.0213278300000000, 0.0524311700000000, -0.0314582700000000 ] - [ -0.0001982500000000, 0.0000180400000000, 0.0004818500000000 ] - [ 0.0001431000000000, -0.0036940500000000, -0.0002417100000000 ] - [ 0.0001458600000000, -0.0081852200000000, -0.0002516200000000 ] - [ -0.0029069000000000, 0.0007434100000000, 0.0026747800000000 ] - [ 0.0001091700000000, 0.0000375600000000, 0.0001555800000000 ] - [ -0.0000490700000000, 0.0000655400000000, -0.0000826200000000 ] - [ 0.0027283100000000, 0.0008011300000000, -0.0036911200000000 ] - [ -0.0001927800000000, 0.0002478600000000, -0.0001986900000000 ] - [ 0.0000198300000000, 0.0001637500000000, 0.0002041500000000 ] - [ 0.0004068700000000, -0.0000207200000000, 0.0001457500000000 ] - [ 0.0000643400000000, -0.0001013900000000, -0.0001352900000000 ] - [ -0.0000441900000000, -0.0000018800000000, 0.0003720100000000 ] - [ -0.0000095400000000, 0.0001887300000000, 0.0004792500000000 ] - [ 0.0000206500000000, -0.0001616600000000, 0.0001983900000000 ] - [ 0.0000667900000000, 0.0000021200000000, 0.0005532200000000 ] - [ -0.0000017000000000, -0.0001836300000000, 0.0004314900000000 ] - [ 0.0000572800000000, 0.0000009600000000, 0.0003382500000000 ] - [ 0.0002017200000000, -0.0000014900000000, 0.0000393700000000 ] - [ -0.0000693600000000, 0.0001248700000000, 0.0004798500000000 ] - [ -0.0000697200000000, -0.0001238900000000, 0.0004839900000000 ]- atom: 10 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0002405500000000, 0.0000000000000000, 0.0043074800000000 ] - [ 0.0002681500000000, 0.0000000000000000, 0.0026350300000000 ] - [ 0.0007675200000000, -0.0000327800000000, 0.0037346500000000 ] - [ 0.0038993000000000, 0.0000000000000000, 0.0029725200000000 ] - [ -0.0004886800000000, 0.0001240700000000, 0.0034069500000000 ] - [ -0.0019588800000000, -0.0002695400000000, -0.0029349900000000 ] - [ -0.0018947900000000, 0.0000000000000000, 0.0024263700000000 ] - [ -0.0019588800000000, 0.0002695400000000, -0.0029349900000000 ] - [ 0.0002978500000000, 0.0000000000000000, 0.0018641500000000 ] - [ -0.0278946400000000, 0.0000000000000000, -0.2343905900000000 ] - [ 0.0107166700000000, 0.0229546800000000, 0.0233870900000000 ] - [ 0.0000163700000000, 0.0000000000000000, 0.0028519600000000 ] - [ 0.0150603800000000, 0.0000000000000000, -0.0186757300000000 ] - [ -0.0018873500000000, 0.0000000000000000, 0.0028686600000000 ] - [ 0.0107166700000000, -0.0229546800000000, 0.0233870900000000 ] - [ -0.0244901400000000, 0.0000000000000000, 0.0162297600000000 ] - [ 0.0008225300000000, 0.0004306500000000, 0.0037393400000000 ] - [ -0.0001182000000000, 0.0000000000000000, 0.0040217000000000 ] - [ -0.0000867700000000, 0.0001006900000000, 0.0041383000000000 ] - [ 0.0003329200000000, 0.0000000000000000, 0.0048320700000000 ] - [ 0.0008225300000000, -0.0004306500000000, 0.0037393400000000 ] - [ -0.0001162700000000, -0.0001031000000000, 0.0041542300000000 ] - [ 0.0001316100000000, 0.0000000000000000, 0.0043964700000000 ] - [ 0.0000542600000000, 0.0000000000000000, 0.0042646300000000 ] - [ 0.0000422700000000, 0.0000000000000000, 0.0046593300000000 ] - [ -0.0006505900000000, 0.0000000000000000, 0.0036773400000000 ] - [ -0.0004886800000000, -0.0001240700000000, 0.0034069500000000 ] - [ -0.0032653600000000, 0.0000000000000000, 0.0040603500000000 ] - [ 0.0007675200000000, 0.0000327800000000, 0.0037346500000000 ] - [ 0.0107081900000000, -0.0211189300000000, 0.0242922700000000 ] - [ 0.0012441400000000, 0.0000000000000000, 0.0043308900000000 ] - [ 0.0107081900000000, 0.0211189300000000, 0.0242922700000000 ] - [ -0.0007348800000000, 0.0000000000000000, 0.0072534700000000 ] - [ -0.0006472300000000, 0.0000000000000000, -0.0162553400000000 ] - [ -0.0017709600000000, 0.0004543100000000, -0.0042766200000000 ] - [ -0.0007116300000000, 0.0000000000000000, 0.0039126100000000 ] - [ -0.0111322100000000, 0.0000000000000000, -0.0247599600000000 ] - [ 0.0015695400000000, 0.0000000000000000, 0.0050637000000000 ] - [ -0.0017709600000000, -0.0004543100000000, -0.0042766200000000 ] - [ 0.0049930100000000, 0.0000000000000000, -0.0040728000000000 ] - [ -0.0003382600000000, 0.0003721700000000, 0.0034926400000000 ] - [ -0.0001570200000000, 0.0000000000000000, 0.0039174700000000 ] - [ -0.0001162700000000, 0.0001031000000000, 0.0041542300000000 ] - [ 0.0000682000000000, 0.0000000000000000, 0.0048492200000000 ] - [ -0.0003382600000000, -0.0003721700000000, 0.0034926400000000 ] - [ -0.0000867700000000, -0.0001006900000000, 0.0041383000000000 ] - [ 0.0002753100000000, 0.0000000000000000, 0.0041171000000000 ] - [ -0.0000064400000000, 0.0000000000000000, 0.0040204800000000 ] - [ 0.0086831800000000, 0.0000000000000000, -0.0153505700000000 ] - [ -0.0002690000000000, 0.0000000000000000, 0.0048393800000000 ] - [ 0.0001522600000000, 0.0000000000000000, 0.0035180500000000 ] - [ 0.0030233600000000, 0.0000000000000000, 0.0028118600000000 ] - [ -0.0028033700000000, 0.0000000000000000, -0.0241979800000000 ] - [ 0.0003748900000000, 0.0000000000000000, 0.0015220400000000 ] - [ 0.0001145600000000, 0.0000000000000000, 0.0033679500000000 ] - [ -0.0026114500000000, 0.0000000000000000, 0.0042851300000000 ] - [ -0.0004300300000000, -0.0003942200000000, -0.0021148600000000 ] - [ -0.0008380000000000, 0.0000000000000000, -0.0029711000000000 ] - [ -0.0000774500000000, 0.0004198100000000, -0.0022729900000000 ] - [ 0.0002928300000000, 0.0000000000000000, -0.0026592800000000 ] - [ 0.0021814200000000, 0.0003207500000000, -0.0010970200000000 ] - [ 0.0011242800000000, 0.0000000000000000, -0.0028654600000000 ] - [ -0.0000269000000000, 0.0000000000000000, -0.0029986900000000 ] - [ 0.0002100700000000, 0.0000220300000000, -0.0019220300000000 ] - [ 0.0014646500000000, 0.0000000000000000, 0.0044882700000000 ] - [ 0.0021814200000000, -0.0003207500000000, -0.0010970200000000 ] - [ -0.0007253300000000, 0.0000000000000000, 0.0004806100000000 ] - [ 0.0002100700000000, -0.0000220300000000, -0.0019220300000000 ] - [ -0.0030661500000000, -0.0011587600000000, 0.0057602300000000 ] - [ 0.0054653200000000, 0.0000000000000000, 0.0055983000000000 ] - [ 0.0003431100000000, 0.0000000000000000, 0.0011073700000000 ] - [ -0.0030661500000000, 0.0011587600000000, 0.0057602300000000 ] - [ -0.0047040000000000, 0.0286906600000000, 0.0460751000000000 ] - [ 0.0015432000000000, 0.0000000000000000, -0.0086433800000000 ] - [ 0.0097545100000000, 0.0000000000000000, 0.0299090500000000 ] - [ -0.0027355900000000, -0.0022852100000000, 0.0062264600000000 ] - [ -0.0004070900000000, -0.0001688400000000, -0.0032844300000000 ] - [ 0.0004208100000000, 0.0000000000000000, 0.0008206800000000 ] - [ 0.0042526400000000, 0.0000000000000000, 0.0095147700000000 ] - [ -0.0033195800000000, -0.0024663400000000, -0.0029431100000000 ] - [ 0.0002997700000000, 0.0000000000000000, -0.0023027500000000 ] - [ 0.0003479700000000, 0.0000385100000000, -0.0017863100000000 ] - [ -0.0033195800000000, 0.0024663400000000, -0.0029431100000000 ] - [ -0.0008950600000000, 0.0000000000000000, -0.0029060100000000 ] - [ -0.0000183200000000, 0.0001547000000000, -0.0024398000000000 ] - [ 0.0003646900000000, 0.0000000000000000, -0.0025648500000000 ] - [ -0.0004616300000000, 0.0000000000000000, -0.0025068100000000 ] - [ -0.0000393300000000, 0.0000000000000000, -0.0028990600000000 ] - [ -0.0002026100000000, 0.0002865700000000, -0.0020600800000000 ] - [ -0.0000183200000000, -0.0001547000000000, -0.0024398000000000 ] - [ 0.0000687100000000, 0.0000000000000000, -0.0020216700000000 ] - [ -0.0002026100000000, -0.0002865700000000, -0.0020600800000000 ] - [ 0.0006301600000000, 0.0000000000000000, -0.0019850300000000 ] - [ 0.0001981900000000, 0.0000000000000000, -0.0029757400000000 ] - [ -0.0003084100000000, 0.0006060300000000, -0.0017737700000000 ] - [ -0.0003874600000000, -0.0006233500000000, -0.0018500600000000 ] - [ -0.0000774500000000, -0.0004198100000000, -0.0022729900000000 ] - [ 0.0004713800000000, 0.0000000000000000, -0.0029881500000000 ] - [ -0.0004300300000000, 0.0003942200000000, -0.0021148600000000 ] - [ 0.0000181700000000, 0.0000000000000000, -0.0029527500000000 ] - [ -0.0027126100000000, 0.0011792400000000, -0.0036422000000000 ] - [ -0.0009911400000000, 0.0000000000000000, -0.0023895200000000 ] - [ -0.0004241200000000, 0.0000000000000000, -0.0034679700000000 ] - [ -0.0004857600000000, 0.0005441300000000, -0.0036357700000000 ] - [ -0.0057170500000000, 0.0000000000000000, 0.0041126300000000 ] - [ -0.0027126100000000, -0.0011792400000000, -0.0036422000000000 ] - [ -0.0005524100000000, 0.0000000000000000, -0.0030725700000000 ] - [ -0.0004857600000000, -0.0005441300000000, -0.0036357700000000 ] - [ 0.0071161800000000, 0.0049126700000000, 0.0188420900000000 ] - [ -0.0058145700000000, 0.0000000000000000, 0.0214857800000000 ] - [ 0.0008206700000000, 0.0000000000000000, -0.0092742300000000 ] - [ 0.0071161800000000, -0.0049126700000000, 0.0188420900000000 ] - [ -0.0027355900000000, 0.0022852100000000, 0.0062264600000000 ] - [ -0.0003385700000000, 0.0000000000000000, 0.0015951300000000 ] - [ 0.0033646900000000, 0.0000000000000000, 0.0060127600000000 ] - [ -0.0047040000000000, -0.0286906600000000, 0.0460751000000000 ] - [ 0.0003479700000000, -0.0000385100000000, -0.0017863100000000 ] - [ -0.0022046600000000, 0.0000000000000000, -0.0043743200000000 ] - [ -0.0029526600000000, 0.0000000000000000, 0.0130028100000000 ] - [ 0.0040507200000000, -0.0001359600000000, -0.0020867500000000 ] - [ -0.0000700800000000, 0.0000000000000000, -0.0027310000000000 ] - [ -0.0004070900000000, 0.0001688400000000, -0.0032844300000000 ] - [ 0.0040507200000000, 0.0001359600000000, -0.0020867500000000 ] - [ 0.0006213700000000, 0.0000000000000000, -0.0030136200000000 ] - [ 0.0000515800000000, 0.0001551500000000, -0.0023720800000000 ] - [ 0.0007020200000000, 0.0000000000000000, -0.0023222700000000 ] - [ 0.0005716300000000, 0.0000000000000000, -0.0027840600000000 ] - [ -0.0000559600000000, 0.0000000000000000, -0.0028001500000000 ] - [ 0.0000685700000000, 0.0002965600000000, -0.0022210100000000 ] - [ 0.0000515800000000, -0.0001551500000000, -0.0023720800000000 ] - [ 0.0000872300000000, 0.0000000000000000, -0.0020841200000000 ] - [ 0.0000685700000000, -0.0002965600000000, -0.0022210100000000 ] - [ 0.0006029600000000, 0.0000000000000000, -0.0019176500000000 ] - [ 0.0002035900000000, 0.0000000000000000, -0.0029010700000000 ] - [ -0.0003874600000000, 0.0006233500000000, -0.0018500600000000 ] - [ -0.0003084100000000, -0.0006060300000000, -0.0017737700000000 ]- atom: 10 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0000477400000000, 0.0000000000000000, -0.0037243000000000 ] - [ -0.0003934300000000, 0.0000000000000000, -0.0034119000000000 ] - [ -0.0006136100000000, 0.0001129700000000, -0.0038107500000000 ] - [ -0.0041469000000000, 0.0000000000000000, -0.0036706300000000 ] - [ 0.0006526300000000, -0.0002062000000000, -0.0034818200000000 ] - [ 0.0019151700000000, 0.0002775400000000, 0.0029743800000000 ] - [ 0.0017087100000000, 0.0000000000000000, -0.0022520200000000 ] - [ 0.0019151700000000, -0.0002775400000000, 0.0029743800000000 ] - [ -0.0004983500000000, 0.0000000000000000, -0.0017375200000000 ] - [ 0.0270519000000000, 0.0000000000000000, 0.2330021700000000 ] - [ -0.0103980300000000, -0.0228024800000000, -0.0238412800000000 ] - [ 0.0000787100000000, 0.0000000000000000, -0.0032748000000000 ] - [ -0.0144529000000000, 0.0000000000000000, 0.0184566800000000 ] - [ 0.0019406800000000, 0.0000000000000000, -0.0035333800000000 ] - [ -0.0103980300000000, 0.0228024800000000, -0.0238412800000000 ] - [ 0.0249841100000000, 0.0000000000000000, -0.0164545300000000 ] - [ -0.0007042100000000, -0.0003468600000000, -0.0037357900000000 ] - [ -0.0001230900000000, 0.0000000000000000, -0.0034358500000000 ] - [ -0.0001317000000000, 0.0001349600000000, -0.0031911500000000 ] - [ 0.0000813000000000, 0.0000000000000000, -0.0037460500000000 ] - [ -0.0007042100000000, 0.0003468600000000, -0.0037357900000000 ] - [ -0.0001014400000000, -0.0001325500000000, -0.0032075000000000 ] - [ 0.0002623600000000, 0.0000000000000000, -0.0036408900000000 ] - [ 0.0000099500000000, 0.0000000000000000, -0.0045207100000000 ] - [ 0.0002469000000000, 0.0000000000000000, -0.0040790000000000 ] - [ 0.0005317800000000, 0.0000000000000000, -0.0044604300000000 ] - [ 0.0006526300000000, 0.0002062000000000, -0.0034818200000000 ] - [ 0.0030448800000000, 0.0000000000000000, -0.0047474600000000 ] - [ -0.0006136100000000, -0.0001129700000000, -0.0038107500000000 ] - [ -0.0109195200000000, 0.0214838600000000, -0.0245080100000000 ] - [ -0.0014471900000000, 0.0000000000000000, -0.0041613100000000 ] - [ -0.0109195200000000, -0.0214838600000000, -0.0245080100000000 ] - [ 0.0005406400000000, 0.0000000000000000, -0.0071832600000000 ] - [ 0.0006352600000000, 0.0000000000000000, 0.0162079300000000 ] - [ 0.0019696900000000, -0.0006017300000000, 0.0035300500000000 ] - [ 0.0008042200000000, 0.0000000000000000, -0.0043331200000000 ] - [ 0.0116785300000000, 0.0000000000000000, 0.0245113800000000 ] - [ -0.0015099200000000, 0.0000000000000000, -0.0057245900000000 ] - [ 0.0019696900000000, 0.0006017300000000, 0.0035300500000000 ] - [ -0.0042767900000000, 0.0000000000000000, 0.0037361200000000 ] - [ 0.0004528500000000, -0.0002878200000000, -0.0034896900000000 ] - [ -0.0000841500000000, 0.0000000000000000, -0.0033312400000000 ] - [ -0.0001014400000000, 0.0001325500000000, -0.0032075000000000 ] - [ 0.0003450800000000, 0.0000000000000000, -0.0037630500000000 ] - [ 0.0004528500000000, 0.0002878200000000, -0.0034896900000000 ] - [ -0.0001317000000000, -0.0001349600000000, -0.0031911500000000 ] - [ 0.0001187700000000, 0.0000000000000000, -0.0033624800000000 ] - [ 0.0000710200000000, 0.0000000000000000, -0.0042748500000000 ] - [ -0.0088900200000000, 0.0000000000000000, 0.0149010300000000 ] - [ 0.0003260000000000, 0.0000000000000000, -0.0047932600000000 ] - [ 0.0001116200000000, 0.0000000000000000, -0.0024947600000000 ] - [ -0.0030438500000000, 0.0000000000000000, -0.0033472700000000 ] - [ 0.0026855300000000, 0.0000000000000000, 0.0237575300000000 ] - [ -0.0003162600000000, 0.0000000000000000, -0.0014921300000000 ] - [ 0.0001492600000000, 0.0000000000000000, -0.0023447100000000 ] - [ 0.0025875000000000, 0.0000000000000000, -0.0048251300000000 ] - [ 0.0004161100000000, 0.0004691200000000, 0.0023221000000000 ] - [ 0.0006375900000000, 0.0000000000000000, 0.0024479700000000 ] - [ 0.0000613600000000, -0.0004946600000000, 0.0024817800000000 ] - [ -0.0009793300000000, 0.0000000000000000, 0.0016277800000000 ] - [ -0.0024509500000000, -0.0005404100000000, 0.0004159600000000 ] - [ -0.0015286900000000, 0.0000000000000000, 0.0028896600000000 ] - [ -0.0004143400000000, 0.0000000000000000, 0.0028627900000000 ] - [ -0.0003786400000000, -0.0000086400000000, 0.0015869800000000 ] - [ -0.0023593500000000, 0.0000000000000000, -0.0052514000000000 ] - [ -0.0024509500000000, 0.0005404100000000, 0.0004159600000000 ] - [ 0.0005705700000000, 0.0000000000000000, -0.0009505700000000 ] - [ -0.0003786400000000, 0.0000086400000000, 0.0015869800000000 ] - [ 0.0030152200000000, 0.0012425000000000, -0.0058705100000000 ] - [ -0.0050415400000000, 0.0000000000000000, -0.0057628500000000 ] - [ 0.0002377700000000, 0.0000000000000000, -0.0008986800000000 ] - [ 0.0030152200000000, -0.0012425000000000, -0.0058705100000000 ] - [ 0.0050885100000000, -0.0301274900000000, -0.0464970500000000 ] - [ -0.0016327100000000, 0.0000000000000000, 0.0087415700000000 ] - [ -0.0084882500000000, 0.0000000000000000, -0.0290218300000000 ] - [ 0.0026346800000000, 0.0025820100000000, -0.0061800600000000 ] - [ 0.0003638600000000, 0.0000797300000000, 0.0035859600000000 ] - [ -0.0001568200000000, 0.0000000000000000, -0.0013042200000000 ] - [ -0.0039080500000000, 0.0000000000000000, -0.0099532400000000 ] - [ 0.0031345900000000, 0.0024062700000000, 0.0019346000000000 ] - [ -0.0000808300000000, 0.0000000000000000, 0.0026222200000000 ] - [ -0.0003895700000000, 0.0000481600000000, 0.0020918800000000 ] - [ 0.0031345900000000, -0.0024062700000000, 0.0019346000000000 ] - [ 0.0005053000000000, 0.0000000000000000, 0.0025116500000000 ] - [ 0.0000571300000000, 0.0001682500000000, 0.0028495400000000 ] - [ 0.0004474700000000, 0.0000000000000000, 0.0028625800000000 ] - [ 0.0005883200000000, 0.0000000000000000, 0.0022355200000000 ] - [ -0.0000492200000000, 0.0000000000000000, 0.0036449900000000 ] - [ 0.0001913500000000, 0.0000850400000000, 0.0029779800000000 ] - [ 0.0000571300000000, -0.0001682500000000, 0.0028495400000000 ] - [ 0.0000671000000000, 0.0000000000000000, 0.0031352300000000 ] - [ 0.0001913500000000, -0.0000850400000000, 0.0029779800000000 ] - [ -0.0005178100000000, 0.0000000000000000, 0.0026602500000000 ] - [ 0.0002053900000000, 0.0000000000000000, 0.0030660300000000 ] - [ 0.0001699000000000, -0.0003584900000000, 0.0027362900000000 ] - [ 0.0002495200000000, 0.0003759200000000, 0.0028129200000000 ] - [ 0.0000613600000000, 0.0004946600000000, 0.0024817800000000 ] - [ -0.0006791100000000, 0.0000000000000000, 0.0024642300000000 ] - [ 0.0004161100000000, -0.0004691200000000, 0.0023221000000000 ] - [ -0.0007028000000000, 0.0000000000000000, 0.0019230500000000 ] - [ 0.0024687800000000, -0.0014078300000000, 0.0029675300000000 ] - [ 0.0006031900000000, 0.0000000000000000, 0.0024056000000000 ] - [ -0.0000135500000000, 0.0000000000000000, 0.0033353100000000 ] - [ 0.0003234000000000, -0.0005390200000000, 0.0033125700000000 ] - [ 0.0047959500000000, 0.0000000000000000, -0.0048811400000000 ] - [ 0.0024687800000000, 0.0014078300000000, 0.0029675300000000 ] - [ 0.0003806900000000, 0.0000000000000000, 0.0025922000000000 ] - [ 0.0003234000000000, 0.0005390200000000, 0.0033125700000000 ] - [ -0.0074124300000000, -0.0052535100000000, -0.0183237600000000 ] - [ 0.0052441600000000, 0.0000000000000000, -0.0223820700000000 ] - [ -0.0002340500000000, 0.0000000000000000, 0.0095834500000000 ] - [ -0.0074124300000000, 0.0052535100000000, -0.0183237600000000 ] - [ 0.0026346800000000, -0.0025820100000000, -0.0061800600000000 ] - [ 0.0002333300000000, 0.0000000000000000, -0.0014664100000000 ] - [ -0.0037300400000000, 0.0000000000000000, -0.0066940500000000 ] - [ 0.0050885100000000, 0.0301274900000000, -0.0464970500000000 ] - [ -0.0003895700000000, -0.0000481600000000, 0.0020918800000000 ] - [ 0.0024821200000000, 0.0000000000000000, 0.0039036200000000 ] - [ 0.0032941500000000, 0.0000000000000000, -0.0134194300000000 ] - [ -0.0042298500000000, 0.0000785600000000, 0.0010826300000000 ] - [ 0.0002876700000000, 0.0000000000000000, 0.0030498400000000 ] - [ 0.0003638600000000, -0.0000797300000000, 0.0035859600000000 ] - [ -0.0042298500000000, -0.0000785600000000, 0.0010826300000000 ] - [ -0.0010051500000000, 0.0000000000000000, 0.0026163400000000 ] - [ -0.0000125200000000, 0.0001678300000000, 0.0027815700000000 ] - [ 0.0001109300000000, 0.0000000000000000, 0.0026207300000000 ] - [ -0.0004421600000000, 0.0000000000000000, 0.0025128700000000 ] - [ -0.0000323300000000, 0.0000000000000000, 0.0035452700000000 ] - [ -0.0000791400000000, 0.0000748200000000, 0.0031384700000000 ] - [ -0.0000125200000000, -0.0001678300000000, 0.0027815700000000 ] - [ 0.0000489500000000, 0.0000000000000000, 0.0031974400000000 ] - [ -0.0000791400000000, -0.0000748200000000, 0.0031384700000000 ] - [ -0.0004901900000000, 0.0000000000000000, 0.0025924300000000 ] - [ 0.0001997500000000, 0.0000000000000000, 0.0029914200000000 ] - [ 0.0002495200000000, -0.0003759200000000, 0.0028129200000000 ] - [ 0.0001699000000000, 0.0003584900000000, 0.0027362900000000 ]- atom: 11 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0002106400000000, -0.0000020200000000, 0.0003710300000000 ] - [ 0.0001289700000000, 0.0000077700000000, -0.0003782200000000 ] - [ 0.0001379600000000, 0.0000404800000000, 0.0002089300000000 ] - [ 0.0009538100000000, -0.0000641600000000, 0.0000732600000000 ] - [ 0.0000107600000000, -0.0000397200000000, -0.0000436100000000 ] - [ 0.0015564400000000, 0.0002010300000000, -0.0014235100000000 ] - [ -0.0000944100000000, 0.0000789400000000, -0.0004033000000000 ] - [ 0.0012624700000000, -0.0001903700000000, -0.0016108600000000 ] - [ 0.0002326600000000, -0.0000120300000000, -0.0001827900000000 ] - [ -0.0231777900000000, 0.0148807300000000, 0.0140159900000000 ] - [ -0.2093463900000000, -0.0233339100000000, -0.0191888100000000 ] - [ 0.0026627800000000, 0.0001410000000000, 0.0004653300000000 ] - [ 0.0058518100000000, 0.0004726600000000, 0.0024526700000000 ] - [ 0.0064342300000000, 0.0017270000000000, -0.0033324500000000 ] - [ -0.0331786400000000, -0.0003308800000000, 0.0163989500000000 ] - [ 0.0327606900000000, 0.0255302300000000, -0.0050509900000000 ] - [ -0.0031505600000000, 0.0005178000000000, 0.0017178800000000 ] - [ -0.0003037200000000, 0.0000077200000000, 0.0004746300000000 ] - [ -0.0001295100000000, 0.0001319300000000, 0.0004780500000000 ] - [ -0.0001043700000000, 0.0000620300000000, 0.0012575200000000 ] - [ -0.0020731200000000, -0.0004830000000000, 0.0034670500000000 ] - [ -0.0001038200000000, -0.0000978800000000, 0.0007136200000000 ] - [ -0.0005436800000000, -0.0001524900000000, 0.0000906300000000 ] - [ -0.0000306000000000, -0.0000015100000000, 0.0000527900000000 ] - [ 0.0000807400000000, -0.0000019000000000, 0.0004862500000000 ] - [ -0.0002402500000000, 0.0000079200000000, -0.0001809400000000 ] - [ 0.0000200400000000, 0.0000396800000000, -0.0000319700000000 ] - [ -0.0009741000000000, -0.0001616300000000, -0.0005406900000000 ] - [ 0.0001287700000000, -0.0000405100000000, 0.0001985800000000 ] - [ -0.0019026700000000, -0.0002338900000000, 0.0029470800000000 ] - [ -0.0002127800000000, 0.0000597100000000, 0.0009089700000000 ] - [ -0.0032408000000000, 0.0002960900000000, 0.0014106200000000 ] - [ -0.0004375700000000, -0.0000158600000000, 0.0004722200000000 ] - [ 0.0064061000000000, 0.0017336300000000, -0.0028614200000000 ] - [ 0.0084716600000000, 0.0010697500000000, -0.0017467700000000 ] - [ -0.0015971100000000, 0.0010162500000000, -0.0017424000000000 ] - [ -0.0050451400000000, -0.0015192700000000, -0.0124846200000000 ] - [ -0.0226679000000000, 0.0154404800000000, 0.0122010800000000 ] - [ 0.0136593000000000, -0.0011765400000000, 0.0004638000000000 ] - [ 0.0309775100000000, 0.0244493000000000, -0.0040746700000000 ] - [ 0.0014216300000000, -0.0001145400000000, -0.0016804000000000 ] - [ 0.0000759700000000, 0.0000093200000000, 0.0003370500000000 ] - [ -0.0000944000000000, 0.0000976600000000, 0.0007219700000000 ] - [ 0.0003429300000000, 0.0000928400000000, 0.0001569700000000 ] - [ 0.0016580500000000, 0.0001240800000000, -0.0014560100000000 ] - [ -0.0001394800000000, -0.0001321000000000, 0.0004675400000000 ] - [ 0.0011928200000000, -0.0000706300000000, 0.0008814700000000 ] - [ 0.0000979900000000, -0.0000018800000000, -0.0000364000000000 ] - [ 0.0073028600000000, -0.0040224600000000, -0.0079504700000000 ] - [ -0.0040574200000000, -0.0005485800000000, -0.0069829000000000 ] - [ -0.0000676700000000, -0.0000120600000000, 0.0007344800000000 ] - [ 0.0085087000000000, -0.0091940800000000, 0.0076154500000000 ] - [ 0.0073483700000000, -0.0084202000000000, 0.0089028300000000 ] - [ 0.0046571400000000, 0.0008129800000000, 0.0017990500000000 ] - [ 0.0003494000000000, -0.0000089900000000, 0.0004316300000000 ] - [ 0.0088144800000000, -0.0050296800000000, -0.0090990100000000 ] - [ -0.0000837200000000, 0.0000245100000000, 0.0000336400000000 ] - [ -0.0003157100000000, 0.0000082300000000, -0.0004880200000000 ] - [ 0.0000495300000000, -0.0000189500000000, 0.0000345400000000 ] - [ -0.0003364500000000, 0.0000017000000000, -0.0005295800000000 ] - [ 0.0001981800000000, -0.0000893100000000, 0.0003339900000000 ] - [ 0.0000101200000000, -0.0000095700000000, 0.0000217800000000 ] - [ -0.0002173100000000, -0.0000013600000000, -0.0000953000000000 ] - [ -0.0001479600000000, -0.0000122200000000, -0.0000298300000000 ] - [ -0.0016118000000000, 0.0000812500000000, 0.0018168500000000 ] - [ 0.0003273600000000, 0.0000527600000000, 0.0001527400000000 ] - [ -0.0008371700000000, 0.0000094200000000, 0.0003146800000000 ] - [ -0.0001307000000000, 0.0000060300000000, -0.0000635200000000 ] - [ -0.0103937800000000, -0.0010465700000000, 0.0036186700000000 ] - [ -0.0013458100000000, -0.0000825800000000, 0.0030685100000000 ] - [ -0.0002424000000000, -0.0000059400000000, 0.0007621500000000 ] - [ -0.0053705500000000, -0.0006533000000000, 0.0009355300000000 ] - [ 0.0054698700000000, -0.0006846300000000, 0.0038192700000000 ] - [ 0.0271979700000000, 0.0030696600000000, -0.0039092300000000 ] - [ 0.0351458300000000, -0.0135941000000000, -0.0090591300000000 ] - [ -0.0024807400000000, -0.0004442400000000, -0.0002345700000000 ] - [ 0.0055911200000000, -0.0005573400000000, -0.0008048500000000 ] - [ -0.0074532600000000, 0.0005673200000000, -0.0002612700000000 ] - [ -0.0077276400000000, -0.0018261300000000, -0.0007145300000000 ] - [ 0.0288885800000000, -0.0037574100000000, 0.0013463200000000 ] - [ -0.0007223000000000, -0.0000158900000000, 0.0006262000000000 ] - [ -0.0025901700000000, 0.0001153400000000, 0.0007000400000000 ] - [ 0.0079523800000000, -0.0041292500000000, -0.0049492000000000 ] - [ -0.0000372200000000, -0.0024266900000000, -0.0061765400000000 ] - [ 0.0001147600000000, 0.0001467300000000, -0.0000330100000000 ] - [ 0.0013692900000000, 0.0001383400000000, -0.0001895900000000 ] - [ -0.0004836600000000, 0.0010645000000000, -0.0037124700000000 ] - [ -0.0000251600000000, -0.0000014100000000, 0.0001999800000000 ] - [ -0.0006743800000000, 0.0002126700000000, -0.0007326700000000 ] - [ 0.0001131600000000, -0.0001543700000000, -0.0000024700000000 ] - [ -0.0000307300000000, -0.0000124900000000, 0.0002831400000000 ] - [ -0.0005863500000000, -0.0002307800000000, -0.0004676700000000 ] - [ 0.0001023700000000, 0.0000018400000000, 0.0002158100000000 ] - [ 0.0003541000000000, 0.0000101200000000, 0.0000814600000000 ] - [ -0.0001449200000000, 0.0001384800000000, 0.0003922300000000 ] - [ -0.0000150600000000, -0.0001409500000000, 0.0004226600000000 ] - [ 0.0000481400000000, 0.0000199100000000, 0.0000379200000000 ] - [ 0.0000889600000000, 0.0000077700000000, -0.0002440300000000 ] - [ -0.0000817200000000, -0.0000234500000000, 0.0000294400000000 ] - [ -0.0003137600000000, 0.0000020800000000, -0.0006361900000000 ] - [ -0.0005654300000000, -0.0001169000000000, -0.0012045900000000 ] - [ -0.0004106200000000, -0.0000099600000000, -0.0001821700000000 ] - [ -0.0002209600000000, -0.0000016900000000, -0.0002265500000000 ] - [ -0.0000041500000000, 0.0000270300000000, -0.0004101200000000 ] - [ 0.0004952000000000, 0.0011594700000000, -0.0038360900000000 ] - [ -0.0006132700000000, 0.0001122800000000, -0.0013852500000000 ] - [ 0.0008344500000000, 0.0001556700000000, -0.0007504300000000 ] - [ -0.0000032700000000, -0.0000325800000000, -0.0004460900000000 ] - [ 0.0071822800000000, -0.0040127900000000, -0.0046665000000000 ] - [ -0.0004713600000000, -0.0020145700000000, -0.0057187900000000 ] - [ 0.0009999600000000, -0.0001753200000000, -0.0004609400000000 ] - [ 0.0550754400000000, -0.0028320300000000, 0.0180471000000000 ] - [ -0.0029273400000000, 0.0006078600000000, 0.0003581400000000 ] - [ -0.0080444100000000, -0.0019686100000000, 0.0000937300000000 ] - [ -0.0083817700000000, 0.0007054000000000, -0.0004696700000000 ] - [ 0.0072763800000000, 0.0017610300000000, -0.0010525100000000 ] - [ -0.0021867300000000, -0.0001936000000000, 0.0002726700000000 ] - [ 0.0291957700000000, -0.0035433300000000, -0.0006177900000000 ] - [ 0.0249168900000000, 0.0030265300000000, -0.0015105800000000 ] - [ -0.0055266300000000, -0.0006990800000000, 0.0005864500000000 ] - [ 0.0013059700000000, -0.0002863200000000, -0.0001624100000000 ] - [ 0.0040302500000000, -0.0001131000000000, 0.0032749400000000 ] - [ -0.0098663400000000, -0.0007433900000000, 0.0037900800000000 ] - [ -0.0016325100000000, -0.0001579300000000, 0.0025093500000000 ] - [ -0.0000383300000000, 0.0001659000000000, 0.0002632400000000 ] - [ -0.0003591300000000, 0.0000001300000000, 0.0005873900000000 ] - [ -0.0003855500000000, -0.0000131300000000, 0.0022089100000000 ] - [ -0.0000598000000000, -0.0000014900000000, 0.0003423100000000 ] - [ 0.0005931100000000, 0.0001227800000000, 0.0009058700000000 ] - [ -0.0000549200000000, -0.0001771100000000, 0.0002973900000000 ] - [ 0.0001613400000000, -0.0000134100000000, 0.0006183300000000 ] - [ 0.0003445200000000, -0.0001503400000000, 0.0012170100000000 ] - [ 0.0000486100000000, 0.0000018500000000, 0.0003195300000000 ] - [ 0.0000281700000000, 0.0000097200000000, -0.0002137200000000 ] - [ -0.0000141800000000, 0.0001420400000000, 0.0004193000000000 ] - [ -0.0001466900000000, -0.0001370000000000, 0.0003964000000000 ]- atom: 11 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0000782000000000, 0.0000022500000000, 0.0002224500000000 ] - [ -0.0002528900000000, -0.0000075800000000, -0.0004005400000000 ] - [ 0.0000223000000000, 0.0000389700000000, -0.0002826300000000 ] - [ -0.0011792800000000, 0.0000639500000000, -0.0007876800000000 ] - [ 0.0001484600000000, -0.0000393400000000, -0.0000298200000000 ] - [ -0.0016011500000000, -0.0001926500000000, 0.0014334500000000 ] - [ -0.0001065200000000, -0.0000787500000000, 0.0005676300000000 ] - [ -0.0013090700000000, 0.0001827800000000, 0.0016179700000000 ] - [ -0.0004298100000000, 0.0000122400000000, 0.0003034500000000 ] - [ 0.0233009200000000, -0.0148676600000000, -0.0140410800000000 ] - [ 0.2110357800000000, 0.0234936400000000, 0.0194915500000000 ] - [ -0.0025744000000000, -0.0001417100000000, -0.0008768600000000 ] - [ -0.0052303300000000, -0.0004694500000000, -0.0026903000000000 ] - [ -0.0063737200000000, -0.0017521200000000, 0.0027127100000000 ] - [ 0.0333818200000000, 0.0004866300000000, -0.0171384200000000 ] - [ -0.0323768000000000, -0.0258889000000000, 0.0047129400000000 ] - [ 0.0032568100000000, -0.0004345000000000, -0.0017124700000000 ] - [ 0.0000605800000000, -0.0000075700000000, 0.0001121000000000 ] - [ -0.0000868400000000, 0.0001022200000000, 0.0004696300000000 ] - [ 0.0005160700000000, -0.0000618800000000, -0.0001663400000000 ] - [ 0.0021822600000000, 0.0004001900000000, -0.0034622800000000 ] - [ -0.0001137400000000, -0.0001359700000000, 0.0002345100000000 ] - [ 0.0009399700000000, 0.0001523500000000, 0.0006653700000000 ] - [ 0.0000949100000000, 0.0000017000000000, -0.0003074700000000 ] - [ 0.0002080300000000, 0.0000020400000000, 0.0001071900000000 ] - [ 0.0001160300000000, -0.0000077500000000, -0.0005969900000000 ] - [ 0.0001392600000000, 0.0000397600000000, -0.0000415300000000 ] - [ 0.0007444600000000, 0.0001619000000000, -0.0001695300000000 ] - [ 0.0000314700000000, -0.0000385500000000, -0.0002722200000000 ] - [ 0.0018738000000000, 0.0002417700000000, -0.0029304800000000 ] - [ 0.0000160600000000, -0.0000593000000000, -0.0007445200000000 ] - [ 0.0032123100000000, -0.0003035400000000, -0.0013944800000000 ] - [ 0.0002407400000000, 0.0000160000000000, -0.0003483700000000 ] - [ -0.0064116400000000, -0.0017059700000000, 0.0027706100000000 ] - [ -0.0082726400000000, -0.0012147500000000, 0.0010101700000000 ] - [ 0.0016971400000000, -0.0010131300000000, 0.0013124000000000 ] - [ 0.0056332100000000, 0.0015239600000000, 0.0123128100000000 ] - [ 0.0226079700000000, -0.0154531100000000, -0.0128819000000000 ] - [ -0.0134514100000000, 0.0013218000000000, -0.0011955000000000 ] - [ -0.0299788900000000, -0.0240926300000000, 0.0037483300000000 ] - [ -0.0012970800000000, 0.0002009500000000, 0.0016918200000000 ] - [ -0.0003191700000000, -0.0000090800000000, 0.0002503200000000 ] - [ -0.0001230500000000, 0.0001365800000000, 0.0002260700000000 ] - [ 0.0000731400000000, -0.0000925500000000, 0.0009340500000000 ] - [ -0.0015340400000000, -0.0002102000000000, 0.0014645600000000 ] - [ -0.0000769700000000, -0.0001017300000000, 0.0004802300000000 ] - [ -0.0008000500000000, 0.0000711400000000, -0.0001214300000000 ] - [ -0.0000336400000000, 0.0000020600000000, -0.0002179700000000 ] - [ -0.0074807700000000, 0.0039487300000000, 0.0074565300000000 ] - [ 0.0041326500000000, 0.0005384300000000, 0.0069878700000000 ] - [ 0.0003313900000000, 0.0000057600000000, 0.0002871700000000 ] - [ -0.0084971100000000, 0.0091693500000000, -0.0080544500000000 ] - [ -0.0075410500000000, 0.0084326100000000, -0.0093987500000000 ] - [ -0.0046123900000000, -0.0008243800000000, -0.0017557700000000 ] - [ -0.0000854400000000, 0.0000026600000000, 0.0005925000000000 ] - [ -0.0088379000000000, 0.0051197100000000, 0.0086653100000000 ] - [ 0.0000679100000000, 0.0000489400000000, 0.0001858900000000 ] - [ 0.0001113600000000, -0.0000079600000000, -0.0000294700000000 ] - [ -0.0000653100000000, -0.0000540700000000, 0.0001847100000000 ] - [ -0.0003474300000000, -0.0000016000000000, -0.0004898300000000 ] - [ -0.0004597700000000, -0.0001380700000000, -0.0010021800000000 ] - [ -0.0004005300000000, 0.0000097400000000, 0.0000017800000000 ] - [ -0.0002219500000000, 0.0000015600000000, -0.0000315800000000 ] - [ -0.0000199600000000, 0.0000268200000000, -0.0002956500000000 ] - [ 0.0007154700000000, -0.0000770100000000, -0.0025606300000000 ] - [ -0.0005892200000000, 0.0001750500000000, -0.0008211000000000 ] - [ 0.0006764800000000, -0.0000089600000000, -0.0007702500000000 ] - [ -0.0000371900000000, -0.0000203000000000, -0.0002619900000000 ] - [ 0.0102817900000000, 0.0011066200000000, -0.0037078100000000 ] - [ 0.0017606200000000, 0.0000757200000000, -0.0032376400000000 ] - [ 0.0008226100000000, 0.0000059100000000, -0.0005449100000000 ] - [ 0.0053440500000000, 0.0005630300000000, -0.0010432200000000 ] - [ -0.0055912400000000, 0.0003832800000000, -0.0037982400000000 ] - [ -0.0275178200000000, -0.0033972200000000, 0.0042745000000000 ] - [ -0.0354553700000000, 0.0132295700000000, 0.0080999500000000 ] - [ 0.0023802500000000, 0.0007417000000000, 0.0002835100000000 ] - [ -0.0056187100000000, 0.0004647600000000, 0.0011103800000000 ] - [ 0.0077178700000000, -0.0005546600000000, -0.0002381700000000 ] - [ 0.0080536100000000, 0.0018270300000000, 0.0002899200000000 ] - [ -0.0271071400000000, 0.0039055600000000, -0.0009377900000000 ] - [ 0.0009384600000000, 0.0000163200000000, -0.0003143500000000 ] - [ 0.0025484600000000, -0.0000246400000000, -0.0004145100000000 ] - [ -0.0081003400000000, 0.0041731600000000, 0.0039426600000000 ] - [ -0.0003418400000000, 0.0024328000000000, 0.0057812700000000 ] - [ -0.0000750300000000, 0.0001765000000000, 0.0004374200000000 ] - [ -0.0005529200000000, -0.0001375000000000, 0.0004839700000000 ] - [ 0.0006172500000000, -0.0010657200000000, 0.0034367700000000 ] - [ -0.0000631000000000, 0.0000017400000000, 0.0005486000000000 ] - [ 0.0006659600000000, 0.0001603400000000, 0.0016433700000000 ] - [ -0.0000732400000000, -0.0001688100000000, 0.0004067600000000 ] - [ 0.0001671400000000, 0.0000126900000000, 0.0008240500000000 ] - [ 0.0005775500000000, -0.0001416800000000, 0.0013772400000000 ] - [ 0.0000107500000000, -0.0000016400000000, 0.0004634900000000 ] - [ 0.0000490600000000, -0.0000100200000000, 0.0000008000000000 ] - [ 0.0000066100000000, 0.0001091700000000, 0.0005748200000000 ] - [ -0.0001232900000000, -0.0001062700000000, 0.0005446100000000 ] - [ -0.0000637200000000, 0.0000534700000000, 0.0001813000000000 ] - [ -0.0002927100000000, -0.0000075000000000, -0.0002742200000000 ] - [ 0.0000658600000000, -0.0000497800000000, 0.0001897900000000 ] - [ -0.0003704600000000, -0.0000020100000000, -0.0003832600000000 ] - [ 0.0002996700000000, -0.0001109900000000, 0.0005372300000000 ] - [ 0.0000192000000000, 0.0000101200000000, 0.0002063900000000 ] - [ -0.0002184500000000, 0.0000020000000000, 0.0000998300000000 ] - [ -0.0001647800000000, -0.0000123200000000, 0.0000837600000000 ] - [ -0.0014081400000000, -0.0011583400000000, 0.0030970400000000 ] - [ 0.0003476400000000, 0.0001157300000000, 0.0007170000000000 ] - [ -0.0009993300000000, -0.0001556400000000, 0.0002903200000000 ] - [ -0.0001655400000000, 0.0000182900000000, 0.0001196600000000 ] - [ -0.0072634000000000, 0.0041148400000000, 0.0045345600000000 ] - [ 0.0008590400000000, 0.0020073300000000, 0.0055474300000000 ] - [ -0.0004225300000000, 0.0001754500000000, 0.0006718200000000 ] - [ -0.0585089100000000, 0.0024426600000000, -0.0205092800000000 ] - [ 0.0028210000000000, -0.0009026800000000, -0.0003010100000000 ] - [ 0.0079507800000000, 0.0019629300000000, 0.0000122300000000 ] - [ 0.0080132700000000, -0.0007180600000000, -0.0002096000000000 ] - [ -0.0074090600000000, -0.0014660200000000, 0.0010849300000000 ] - [ 0.0021412500000000, 0.0001043200000000, 0.0000170100000000 ] - [ -0.0290121300000000, 0.0036903500000000, 0.0002607100000000 ] - [ -0.0243466200000000, -0.0026858200000000, 0.0008117900000000 ] - [ 0.0053235100000000, 0.0006403400000000, -0.0016179200000000 ] - [ -0.0010856100000000, 0.0002855100000000, 0.0004826300000000 ] - [ -0.0040608400000000, 0.0002067200000000, -0.0029562000000000 ] - [ 0.0097291100000000, 0.0008278600000000, -0.0048417900000000 ] - [ 0.0012354900000000, 0.0001635000000000, -0.0029123600000000 ] - [ 0.0000769800000000, 0.0001573200000000, 0.0001401400000000 ] - [ 0.0011701500000000, 0.0000000300000000, -0.0002969700000000 ] - [ 0.0005017800000000, 0.0000097400000000, -0.0024783100000000 ] - [ -0.0000287500000000, 0.0000017100000000, 0.0004059900000000 ] - [ -0.0006063700000000, 0.0002493800000000, 0.0000061800000000 ] - [ 0.0000936700000000, -0.0001460900000000, 0.0001059800000000 ] - [ -0.0000260100000000, 0.0000136800000000, 0.0004897100000000 ] - [ -0.0003587200000000, -0.0002213200000000, -0.0003048600000000 ] - [ 0.0000641200000000, -0.0000016200000000, 0.0003599200000000 ] - [ 0.0003755000000000, -0.0000096000000000, 0.0002947800000000 ] - [ -0.0001241700000000, 0.0001054900000000, 0.0005479100000000 ] - [ 0.0000083800000000, -0.0001102400000000, 0.0005706500000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001446100000000, 0.0000003500000000, 0.0004820200000000 ] - [ -0.0000368200000000, 0.0000002200000000, -0.0002202100000000 ] - [ 0.0000929900000000, 0.0000600600000000, 0.0001437400000000 ] - [ -0.0001142200000000, -0.0000009900000000, -0.0001853200000000 ] - [ 0.0000670000000000, -0.0000517900000000, 0.0001253600000000 ] - [ 0.0000976800000000, 0.0016138800000000, -0.0001440000000000 ] - [ -0.0000268100000000, -0.0000002200000000, 0.0003844100000000 ] - [ 0.0001019500000000, -0.0016164100000000, -0.0001397700000000 ] - [ -0.0001100900000000, -0.0000003400000000, 0.0000901300000000 ] - [ 0.0150156400000000, 0.0037821300000000, 0.0208599400000000 ] - [ -0.0236212000000000, -0.2179154600000000, -0.0275028600000000 ] - [ 0.0006005400000000, -0.0000046900000000, -0.0002352900000000 ] - [ 0.0006372600000000, 0.0000670200000000, 0.0000559200000000 ] - [ 0.0022117700000000, -0.0000310300000000, -0.0011772700000000 ] - [ 0.0005171900000000, 0.0897080900000000, -0.0005527800000000 ] - [ 0.0245465900000000, 0.0040274200000000, 0.0077034500000000 ] - [ 0.0004952800000000, -0.0000868800000000, 0.0003296600000000 ] - [ -0.0001267100000000, 0.0000003100000000, 0.0004992500000000 ] - [ -0.0001366100000000, 0.0001296700000000, 0.0006480800000000 ] - [ 0.0003850800000000, 0.0000020200000000, 0.0008085400000000 ] - [ 0.0004866800000000, 0.0000856800000000, 0.0004277100000000 ] - [ -0.0000772000000000, -0.0001265900000000, 0.0006466100000000 ] - [ -0.0000801900000000, -0.0000011900000000, 0.0005781200000000 ] - [ 0.0000290700000000, 0.0000003700000000, 0.0000856600000000 ] - [ 0.0001390400000000, 0.0000002700000000, 0.0004992500000000 ] - [ -0.0000694800000000, 0.0000001500000000, -0.0001949500000000 ] - [ 0.0000669800000000, 0.0000523600000000, 0.0001252800000000 ] - [ -0.0003497600000000, 0.0000009200000000, -0.0002201500000000 ] - [ 0.0000930300000000, -0.0000581700000000, 0.0001437700000000 ] - [ -0.0000920000000000, 0.0003925000000000, 0.0004222200000000 ] - [ 0.0000064200000000, 0.0000007700000000, 0.0003744300000000 ] - [ -0.0000653200000000, -0.0003872700000000, 0.0003898500000000 ] - [ -0.0001328500000000, 0.0000002900000000, 0.0002492500000000 ] - [ 0.0020306100000000, -0.0000046900000000, 0.0002173000000000 ] - [ 0.0012396700000000, -0.0003742900000000, -0.0002379600000000 ] - [ 0.0001000900000000, -0.0000048800000000, 0.0015619900000000 ] - [ -0.0012393200000000, 0.0005092000000000, -0.0171583300000000 ] - [ 0.0149860000000000, 0.0036850800000000, 0.0174293100000000 ] - [ 0.0013469900000000, 0.0003715900000000, -0.0003076000000000 ] - [ 0.0231685400000000, 0.0038646800000000, 0.0071989500000000 ] - [ -0.0000822800000000, -0.0013011900000000, -0.0003062800000000 ] - [ -0.0001071900000000, 0.0000002400000000, 0.0004514400000000 ] - [ -0.0000770800000000, 0.0001286400000000, 0.0006468100000000 ] - [ 0.0001813100000000, 0.0000016800000000, 0.0007766800000000 ] - [ -0.0000871400000000, 0.0013017600000000, -0.0003128600000000 ] - [ -0.0001367400000000, -0.0001290800000000, 0.0006479900000000 ] - [ 0.0002519000000000, -0.0000032100000000, 0.0004797700000000 ] - [ 0.0000307700000000, 0.0000001700000000, 0.0000637900000000 ] - [ -0.0085759900000000, 0.0005039100000000, 0.0035851100000000 ] - [ -0.0001122100000000, 0.0006376800000000, -0.0089334300000000 ] - [ 0.0001257600000000, -0.0000029200000000, 0.0007029300000000 ] - [ -0.0055779900000000, 0.0004124100000000, -0.0048973400000000 ] - [ -0.0043910900000000, 0.0003406600000000, -0.0030320200000000 ] - [ 0.0004694700000000, 0.0000919800000000, -0.0002631500000000 ] - [ 0.0001235900000000, -0.0000030700000000, 0.0005215100000000 ] - [ -0.0087556700000000, 0.0007483700000000, 0.0022309600000000 ] - [ -0.0000242400000000, 0.0000122600000000, -0.0000014400000000 ] - [ -0.0001053600000000, 0.0000004200000000, -0.0004448500000000 ] - [ -0.0000150300000000, -0.0000120800000000, -0.0000050900000000 ] - [ -0.0003145500000000, 0.0000000600000000, -0.0006195900000000 ] - [ -0.0001055100000000, -0.0003085300000000, -0.0003843900000000 ] - [ -0.0001673400000000, 0.0000002200000000, -0.0000871200000000 ] - [ -0.0002171000000000, 0.0000001200000000, -0.0001997800000000 ] - [ -0.0000826500000000, -0.0000121000000000, -0.0002633800000000 ] - [ 0.0007662500000000, 0.0000093400000000, -0.0021969400000000 ] - [ -0.0001047400000000, 0.0003088300000000, -0.0003830200000000 ] - [ 0.0001463300000000, -0.0000002200000000, -0.0006461600000000 ] - [ -0.0000827000000000, 0.0000123500000000, -0.0002633100000000 ] - [ -0.0017273200000000, 0.0030772700000000, 0.0001042400000000 ] - [ -0.0022751700000000, 0.0000899700000000, 0.0031081700000000 ] - [ 0.0000474900000000, -0.0000007700000000, 0.0005442600000000 ] - [ -0.0018686400000000, -0.0031392600000000, -0.0000419100000000 ] - [ 0.0006785600000000, -0.0044528800000000, -0.0006810300000000 ] - [ 0.0015980400000000, 0.0204349500000000, -0.0066895900000000 ] - [ -0.0127931700000000, 0.0332062000000000, 0.0122975300000000 ] - [ -0.0003688700000000, -0.0002237300000000, 0.0000230000000000 ] - [ -0.0003261900000000, 0.0028965800000000, -0.0015718400000000 ] - [ -0.0005969900000000, 0.0001619500000000, -0.0000111600000000 ] - [ -0.0004446800000000, 0.0000017700000000, -0.0003857500000000 ] - [ -0.0008349700000000, 0.0201654200000000, -0.0005493000000000 ] - [ -0.0001589300000000, 0.0000014900000000, 0.0005735300000000 ] - [ -0.0003961700000000, 0.0002652900000000, 0.0004445200000000 ] - [ -0.0027352500000000, -0.0102986800000000, -0.0014793700000000 ] - [ -0.0005378300000000, -0.0000596200000000, -0.0001525900000000 ] - [ -0.0000141300000000, 0.0001714100000000, 0.0000375900000000 ] - [ 0.0002493100000000, -0.0000103700000000, -0.0003415700000000 ] - [ -0.0002909800000000, 0.0001511800000000, -0.0004869500000000 ] - [ -0.0000546200000000, 0.0000001600000000, 0.0002120700000000 ] - [ -0.0001953600000000, 0.0002044200000000, 0.0003422400000000 ] - [ -0.0000147800000000, -0.0001715900000000, 0.0000373700000000 ] - [ 0.0000197000000000, -0.0000003300000000, 0.0004666600000000 ] - [ -0.0001855200000000, -0.0001944500000000, 0.0003582000000000 ] - [ 0.0000775100000000, 0.0000000900000000, 0.0002203200000000 ] - [ 0.0002313600000000, 0.0000004100000000, -0.0001375700000000 ] - [ -0.0000859300000000, 0.0001479600000000, 0.0003790300000000 ] - [ -0.0000785100000000, -0.0001512000000000, 0.0003656300000000 ] - [ -0.0000149600000000, 0.0000122700000000, -0.0000050800000000 ] - [ -0.0000818100000000, 0.0000001300000000, -0.0004240100000000 ] - [ -0.0000243100000000, -0.0000120200000000, -0.0000015600000000 ] - [ -0.0003165000000000, 0.0000000400000000, -0.0006341700000000 ] - [ -0.0002060000000000, -0.0001283000000000, -0.0005084800000000 ] - [ -0.0002448000000000, 0.0000001000000000, -0.0000779500000000 ] - [ -0.0002263500000000, 0.0000002100000000, -0.0002169000000000 ] - [ -0.0000908200000000, 0.0000008100000000, -0.0003141800000000 ] - [ -0.0005941900000000, 0.0001045700000000, -0.0008195600000000 ] - [ -0.0002093800000000, 0.0001348200000000, -0.0005125700000000 ] - [ -0.0000967600000000, -0.0000042800000000, -0.0006271600000000 ] - [ -0.0000905100000000, -0.0000005500000000, -0.0003137200000000 ] - [ -0.0030532400000000, -0.0109347900000000, -0.0020441600000000 ] - [ 0.0001744800000000, 0.0000037900000000, -0.0002476600000000 ] - [ 0.0003656700000000, 0.0000066200000000, 0.0001298000000000 ] - [ 0.0000256400000000, 0.0205038500000000, -0.0001601600000000 ] - [ -0.0003949700000000, 0.0002298600000000, 0.0000199100000000 ] - [ -0.0008668300000000, -0.0000515600000000, 0.0001427800000000 ] - [ -0.0009654300000000, 0.0001767500000000, -0.0003065300000000 ] - [ 0.0007902800000000, 0.0044576800000000, -0.0006478500000000 ] - [ -0.0003739200000000, -0.0002584300000000, 0.0004569100000000 ] - [ -0.0039545100000000, 0.0175557600000000, 0.0016308500000000 ] - [ 0.0024170000000000, 0.0185553600000000, -0.0032668900000000 ] - [ -0.0025745000000000, -0.0029946900000000, -0.0001359900000000 ] - [ 0.0000819400000000, 0.0000083100000000, 0.0000447100000000 ] - [ -0.0005636000000000, -0.0030701400000000, -0.0017246600000000 ] - [ -0.0022984200000000, 0.0029143200000000, 0.0000378100000000 ] - [ -0.0015635500000000, 0.0000504100000000, 0.0020881100000000 ] - [ 0.0000425000000000, 0.0001765000000000, 0.0001060400000000 ] - [ 0.0006840400000000, -0.0000014700000000, -0.0001134700000000 ] - [ 0.0014570800000000, 0.0000308300000000, -0.0018718800000000 ] - [ -0.0000373600000000, 0.0000001100000000, 0.0002305300000000 ] - [ 0.0001664300000000, 0.0004218500000000, 0.0003049500000000 ] - [ 0.0000421200000000, -0.0001765300000000, 0.0001064100000000 ] - [ 0.0000947400000000, -0.0000000800000000, 0.0004366500000000 ] - [ 0.0001620600000000, -0.0004194500000000, 0.0003113300000000 ] - [ 0.0000930800000000, 0.0000001800000000, 0.0002309100000000 ] - [ 0.0001912200000000, 0.0000008600000000, -0.0001040600000000 ] - [ -0.0000785100000000, 0.0001514600000000, 0.0003655600000000 ] - [ -0.0000858900000000, -0.0001476400000000, 0.0003791700000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001443500000000, -0.0000001300000000, 0.0001095700000000 ] - [ -0.0000874700000000, 0.0000000000000000, -0.0005572000000000 ] - [ 0.0000667900000000, 0.0000191000000000, -0.0002162600000000 ] - [ -0.0001146600000000, 0.0000009800000000, -0.0005279700000000 ] - [ 0.0000928100000000, -0.0000269400000000, -0.0001977900000000 ] - [ -0.0001357200000000, -0.0016041500000000, 0.0001565800000000 ] - [ -0.0001716300000000, 0.0000008300000000, -0.0002205000000000 ] - [ -0.0001394300000000, 0.0016075500000000, 0.0001527000000000 ] - [ -0.0000871400000000, 0.0000004500000000, 0.0000307100000000 ] - [ -0.0150578900000000, -0.0036794000000000, -0.0210263800000000 ] - [ 0.0231782600000000, 0.2185620300000000, 0.0270100500000000 ] - [ -0.0005082000000000, 0.0000055400000000, -0.0001837900000000 ] - [ -0.0000310300000000, -0.0000595400000000, -0.0002802900000000 ] - [ -0.0021561700000000, 0.0000339700000000, 0.0005219800000000 ] - [ -0.0003009100000000, -0.0896154900000000, -0.0001822800000000 ] - [ -0.0239842700000000, -0.0039186900000000, -0.0080246800000000 ] - [ -0.0003763100000000, 0.0001705700000000, -0.0003203500000000 ] - [ -0.0001157400000000, -0.0000001200000000, 0.0000882100000000 ] - [ -0.0000806300000000, 0.0001051700000000, 0.0003001900000000 ] - [ 0.0000289300000000, -0.0000019000000000, 0.0002819900000000 ] - [ -0.0003686300000000, -0.0001691800000000, -0.0004271700000000 ] - [ -0.0001402300000000, -0.0001079300000000, 0.0003016900000000 ] - [ 0.0004745600000000, 0.0000015500000000, 0.0001798500000000 ] - [ 0.0000351100000000, -0.0000002200000000, -0.0003370700000000 ] - [ 0.0001498500000000, -0.0000001000000000, 0.0000920800000000 ] - [ -0.0000547100000000, 0.0000000800000000, -0.0005824800000000 ] - [ 0.0000929200000000, 0.0000267600000000, -0.0001977400000000 ] - [ 0.0001213000000000, -0.0000016100000000, -0.0004932800000000 ] - [ 0.0000667300000000, -0.0000206100000000, -0.0002162200000000 ] - [ 0.0000564900000000, -0.0003838900000000, -0.0004064700000000 ] - [ -0.0002049600000000, -0.0000003300000000, -0.0002107900000000 ] - [ 0.0000239500000000, 0.0003791600000000, -0.0003820500000000 ] - [ -0.0000642000000000, -0.0000001400000000, -0.0001284700000000 ] - [ -0.0020360700000000, 0.0000009600000000, -0.0002643400000000 ] - [ -0.0010450600000000, 0.0002264400000000, -0.0004981000000000 ] - [ -0.0000073400000000, 0.0000044100000000, -0.0019807000000000 ] - [ 0.0018591100000000, -0.0004993400000000, 0.0169102000000000 ] - [ -0.0148921900000000, -0.0037785300000000, -0.0179777400000000 ] - [ -0.0011515300000000, -0.0002234000000000, -0.0004301000000000 ] - [ -0.0223429800000000, -0.0039626400000000, -0.0075209300000000 ] - [ 0.0001986200000000, 0.0013860700000000, 0.0003124400000000 ] - [ -0.0001354500000000, -0.0000000600000000, 0.0001360600000000 ] - [ -0.0001402500000000, 0.0001062800000000, 0.0003014300000000 ] - [ 0.0002326800000000, -0.0000017300000000, 0.0003140600000000 ] - [ 0.0002048300000000, -0.0013863100000000, 0.0003185800000000 ] - [ -0.0000805800000000, -0.0001054500000000, 0.0003003900000000 ] - [ 0.0001418000000000, 0.0000037000000000, 0.0002781100000000 ] - [ 0.0000334500000000, 0.0000000300000000, -0.0003149400000000 ] - [ 0.0084112100000000, -0.0005167700000000, -0.0040184700000000 ] - [ 0.0001629700000000, -0.0006504700000000, 0.0089684600000000 ] - [ 0.0001380100000000, -0.0000033500000000, 0.0003203000000000 ] - [ 0.0055838600000000, -0.0003461300000000, 0.0043970400000000 ] - [ 0.0041960300000000, -0.0004021500000000, 0.0025845400000000 ] - [ -0.0004157400000000, -0.0001070400000000, 0.0002958500000000 ] - [ 0.0001400200000000, -0.0000031700000000, 0.0005018900000000 ] - [ 0.0087329300000000, -0.0007394500000000, -0.0027398100000000 ] - [ 0.0000089100000000, 0.0000620200000000, 0.0002176300000000 ] - [ -0.0000982900000000, -0.0000001500000000, -0.0000751700000000 ] - [ -0.0000004600000000, -0.0000618500000000, 0.0002211400000000 ] - [ -0.0003707700000000, 0.0000000300000000, -0.0004032100000000 ] - [ -0.0001562600000000, 0.0000816600000000, -0.0002839500000000 ] - [ -0.0002224000000000, -0.0000000900000000, 0.0001081300000000 ] - [ -0.0002224500000000, 0.0000000600000000, 0.0000696100000000 ] - [ -0.0000863300000000, 0.0000275200000000, -0.0000652200000000 ] - [ -0.0016680900000000, -0.0000071200000000, 0.0014539100000000 ] - [ -0.0001562900000000, -0.0000818100000000, -0.0002864300000000 ] - [ -0.0003103000000000, 0.0000002200000000, 0.0001896500000000 ] - [ -0.0000861200000000, -0.0000274200000000, -0.0000654600000000 ] - [ 0.0016777300000000, -0.0029860800000000, -0.0002338800000000 ] - [ 0.0026684000000000, -0.0000949600000000, -0.0032711200000000 ] - [ 0.0005300800000000, 0.0000012900000000, -0.0003264500000000 ] - [ 0.0018224000000000, 0.0030575600000000, -0.0000624400000000 ] - [ -0.0008023000000000, 0.0041562900000000, 0.0007270500000000 ] - [ -0.0025655300000000, -0.0220316100000000, 0.0079490500000000 ] - [ 0.0135065600000000, -0.0353036600000000, -0.0145876500000000 ] - [ 0.0002635200000000, 0.0005212400000000, 0.0000218900000000 ] - [ 0.0002713200000000, -0.0029759600000000, 0.0018710500000000 ] - [ 0.0008628800000000, -0.0001692700000000, -0.0004763000000000 ] - [ 0.0007839100000000, -0.0000179000000000, -0.0000541200000000 ] - [ 0.0004765600000000, -0.0202190500000000, -0.0005954200000000 ] - [ 0.0003773000000000, -0.0000016400000000, -0.0002626500000000 ] - [ 0.0003548400000000, -0.0001789100000000, -0.0001414800000000 ] - [ 0.0025026000000000, 0.0103929300000000, 0.0004168800000000 ] - [ 0.0001491400000000, 0.0000752800000000, -0.0002378100000000 ] - [ 0.0000546900000000, 0.0001543900000000, 0.0003666000000000 ] - [ 0.0005646500000000, 0.0000112100000000, 0.0006335900000000 ] - [ 0.0004188000000000, -0.0001573400000000, 0.0002177700000000 ] - [ -0.0000338900000000, 0.0000001000000000, 0.0005331500000000 ] - [ 0.0001845200000000, 0.0001689200000000, 0.0005702100000000 ] - [ 0.0000554200000000, -0.0001540900000000, 0.0003667700000000 ] - [ 0.0001135100000000, 0.0000005400000000, 0.0006413900000000 ] - [ 0.0001735500000000, -0.0001784400000000, 0.0005528300000000 ] - [ 0.0000365600000000, 0.0000001000000000, 0.0004559800000000 ] - [ 0.0001720400000000, -0.0000003000000000, 0.0002185700000000 ] - [ -0.0000529900000000, 0.0001007100000000, 0.0005849500000000 ] - [ -0.0000603400000000, -0.0000969900000000, 0.0005983000000000 ] - [ -0.0000003700000000, 0.0000619800000000, 0.0002211600000000 ] - [ -0.0001220300000000, 0.0000001700000000, -0.0000960800000000 ] - [ 0.0000089100000000, -0.0000619800000000, 0.0002174700000000 ] - [ -0.0003687400000000, 0.0000000300000000, -0.0003885600000000 ] - [ -0.0000548900000000, -0.0000981600000000, -0.0001596500000000 ] - [ -0.0001449400000000, 0.0000000500000000, 0.0000989800000000 ] - [ -0.0002131000000000, 0.0000000800000000, 0.0000869900000000 ] - [ -0.0000781400000000, 0.0000145600000000, -0.0000144200000000 ] - [ -0.0003070500000000, -0.0000975900000000, 0.0000777100000000 ] - [ -0.0000519300000000, 0.0000920400000000, -0.0001566300000000 ] - [ -0.0000672500000000, 0.0000049400000000, 0.0001708000000000 ] - [ -0.0000784100000000, -0.0000144500000000, -0.0000149900000000 ] - [ 0.0030705400000000, 0.0109789900000000, 0.0019709600000000 ] - [ 0.0002212100000000, -0.0000174700000000, 0.0000813500000000 ] - [ 0.0002120800000000, -0.0000072100000000, 0.0000878200000000 ] - [ 0.0003204400000000, -0.0205794700000000, 0.0002931200000000 ] - [ 0.0002898400000000, -0.0005277300000000, 0.0000226400000000 ] - [ 0.0007686100000000, 0.0000668000000000, -0.0000200500000000 ] - [ 0.0006035400000000, -0.0001672800000000, -0.0003800200000000 ] - [ -0.0008804700000000, -0.0041590100000000, 0.0006865500000000 ] - [ 0.0003330500000000, 0.0001718800000000, -0.0001564900000000 ] - [ 0.0036228400000000, -0.0160868400000000, -0.0010016400000000 ] - [ -0.0012785500000000, -0.0171049100000000, 0.0018322900000000 ] - [ 0.0023923400000000, 0.0029304900000000, -0.0008983400000000 ] - [ 0.0001359000000000, -0.0000086500000000, 0.0002674100000000 ] - [ 0.0005372600000000, 0.0031604000000000, 0.0020317400000000 ] - [ 0.0021243700000000, -0.0028600900000000, -0.0010418900000000 ] - [ 0.0011755600000000, -0.0000467400000000, -0.0024848000000000 ] - [ -0.0000020000000000, 0.0001492700000000, 0.0002979400000000 ] - [ 0.0001302300000000, 0.0000019400000000, 0.0004054700000000 ] - [ -0.0013295700000000, -0.0000337900000000, 0.0016016600000000 ] - [ -0.0000511400000000, 0.0000000900000000, 0.0005144100000000 ] - [ -0.0001784800000000, -0.0000487500000000, 0.0006070500000000 ] - [ -0.0000015100000000, -0.0001490700000000, 0.0002974600000000 ] - [ 0.0000383200000000, 0.0000003600000000, 0.0006713500000000 ] - [ -0.0001737600000000, 0.0000468100000000, 0.0005995500000000 ] - [ 0.0000210100000000, 0.0000000800000000, 0.0004454800000000 ] - [ 0.0002122000000000, -0.0000007300000000, 0.0001849100000000 ] - [ -0.0000604200000000, 0.0000969400000000, 0.0005985500000000 ] - [ -0.0000530000000000, -0.0001006300000000, 0.0005847800000000 ]- atom: 11 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001320900000000, -0.0000025100000000, 0.0038221100000000 ] - [ -0.0000559600000000, 0.0000111600000000, 0.0025614700000000 ] - [ 0.0002617500000000, 0.0000254400000000, 0.0030627400000000 ] - [ 0.0005333800000000, -0.0000400400000000, 0.0021550700000000 ] - [ -0.0000409100000000, -0.0000277500000000, 0.0030483500000000 ] - [ -0.0013608600000000, 0.0000053400000000, 0.0020910600000000 ] - [ -0.0005143300000000, 0.0001132600000000, 0.0033352500000000 ] - [ -0.0016674400000000, -0.0000168600000000, 0.0020033800000000 ] - [ -0.0002244200000000, -0.0000200800000000, 0.0028784800000000 ] - [ 0.0108044700000000, 0.0228770900000000, 0.0234145600000000 ] - [ -0.0487558700000000, -0.0302611000000000, -0.2001417600000000 ] - [ 0.0019105800000000, 0.0000709900000000, 0.0012094800000000 ] - [ 0.0036023600000000, 0.0004358400000000, -0.0020186300000000 ] - [ -0.0011718300000000, 0.0007420900000000, -0.0037063900000000 ] - [ 0.0119469700000000, 0.0002050600000000, -0.0489800400000000 ] - [ 0.0003159900000000, 0.0112453500000000, -0.0316514900000000 ] - [ 0.0014311500000000, 0.0005613000000000, 0.0034572400000000 ] - [ -0.0001641500000000, 0.0000083800000000, 0.0035536200000000 ] - [ -0.0002215700000000, 0.0001135500000000, 0.0036297000000000 ] - [ 0.0007460600000000, 0.0000499400000000, 0.0043531500000000 ] - [ 0.0028718400000000, -0.0005656200000000, 0.0051887200000000 ] - [ 0.0000213600000000, -0.0001008700000000, 0.0036121700000000 ] - [ -0.0004785600000000, -0.0001772800000000, 0.0041369000000000 ] - [ 0.0000319800000000, -0.0000016700000000, 0.0035746700000000 ] - [ 0.0001358600000000, -0.0000022200000000, 0.0039324500000000 ] - [ -0.0001441700000000, 0.0000113500000000, 0.0028250300000000 ] - [ -0.0000277200000000, 0.0000276300000000, 0.0030648300000000 ] - [ -0.0010106400000000, -0.0002461300000000, 0.0033264900000000 ] - [ 0.0002484900000000, -0.0000259100000000, 0.0030530300000000 ] - [ 0.0040520000000000, 0.0002847200000000, 0.0061761500000000 ] - [ 0.0006753700000000, 0.0000521500000000, 0.0036729800000000 ] - [ 0.0015667700000000, -0.0002402200000000, 0.0040258800000000 ] - [ -0.0002496200000000, -0.0000298300000000, 0.0038892000000000 ] - [ -0.0011529100000000, 0.0007037300000000, -0.0040188300000000 ] - [ -0.0000661100000000, 0.0002191400000000, -0.0125966300000000 ] - [ -0.0027806800000000, 0.0013581100000000, 0.0048987400000000 ] - [ -0.0065071400000000, -0.0072337500000000, 0.0129433500000000 ] - [ 0.0103440400000000, 0.0218971200000000, 0.0235444900000000 ] - [ 0.0028611900000000, -0.0001659900000000, -0.0119831900000000 ] - [ 0.0006400500000000, 0.0108602300000000, -0.0325829800000000 ] - [ -0.0014076800000000, -0.0001000300000000, 0.0016573100000000 ] - [ -0.0001071900000000, 0.0000105300000000, 0.0033394200000000 ] - [ 0.0000314200000000, 0.0001004900000000, 0.0036195900000000 ] - [ -0.0002896200000000, 0.0001057600000000, 0.0040963300000000 ] - [ -0.0011950800000000, 0.0001056000000000, 0.0017782400000000 ] - [ -0.0002335100000000, -0.0001138600000000, 0.0036173800000000 ] - [ 0.0008055400000000, -0.0000467800000000, 0.0032620100000000 ] - [ 0.0000153300000000, -0.0000020900000000, 0.0034716700000000 ] - [ -0.0093822800000000, 0.0006293400000000, -0.0009953800000000 ] - [ -0.0051029400000000, -0.0046394800000000, 0.0104319200000000 ] - [ 0.0001205600000000, -0.0000157900000000, 0.0033770100000000 ] - [ 0.0096975200000000, -0.0077826000000000, -0.0010314800000000 ] - [ 0.0090775300000000, -0.0070043600000000, 0.0012286400000000 ] - [ 0.0030040600000000, 0.0007671500000000, -0.0006136200000000 ] - [ 0.0001371700000000, -0.0000110500000000, 0.0026837100000000 ] - [ -0.0100915800000000, 0.0003298600000000, -0.0033954100000000 ] - [ -0.0002381600000000, -0.0003526200000000, -0.0018371900000000 ] - [ -0.0002621600000000, 0.0000054100000000, -0.0026992700000000 ] - [ -0.0002069000000000, 0.0003687900000000, -0.0019050300000000 ] - [ 0.0001427900000000, 0.0000024100000000, -0.0024726200000000 ] - [ 0.0001710000000000, 0.0001431600000000, -0.0021195100000000 ] - [ 0.0001064500000000, -0.0000123600000000, -0.0022182300000000 ] - [ -0.0001833600000000, -0.0000020600000000, -0.0026931800000000 ] - [ 0.0000031200000000, 0.0000990200000000, -0.0021940500000000 ] - [ 0.0015396200000000, -0.0002055900000000, -0.0020651900000000 ] - [ 0.0003833900000000, -0.0002004300000000, -0.0023633100000000 ] - [ 0.0003621300000000, -0.0000030400000000, -0.0017453700000000 ] - [ 0.0000290000000000, -0.0001080700000000, -0.0022419500000000 ] - [ 0.0017398000000000, -0.0003193100000000, 0.0086052400000000 ] - [ 0.0036913600000000, 0.0002351100000000, -0.0011639600000000 ] - [ 0.0007904100000000, 0.0000113900000000, -0.0014392100000000 ] - [ 0.0040477100000000, -0.0001805700000000, 0.0062627000000000 ] - [ -0.0015729200000000, -0.0000291500000000, -0.0024719900000000 ] - [ 0.0014317700000000, -0.0085517400000000, 0.0379383400000000 ] - [ -0.0054933900000000, 0.0124843200000000, 0.0378989600000000 ] - [ 0.0000741100000000, -0.0000594600000000, 0.0010666900000000 ] - [ 0.0002733000000000, -0.0007408700000000, -0.0072048200000000 ] - [ -0.0022922500000000, 0.0007669800000000, 0.0051124700000000 ] - [ -0.0042404800000000, -0.0018206100000000, 0.0062819200000000 ] - [ 0.0063167400000000, -0.0032330200000000, 0.0298096800000000 ] - [ 0.0004114700000000, 0.0000030200000000, -0.0010861600000000 ] - [ -0.0004397700000000, 0.0000747100000000, 0.0009527200000000 ] - [ -0.0043193200000000, -0.0041979500000000, 0.0124597000000000 ] - [ -0.0024409400000000, -0.0018332700000000, -0.0032144700000000 ] - [ -0.0001177600000000, 0.0001462800000000, -0.0021981300000000 ] - [ 0.0000915200000000, 0.0001889000000000, -0.0027591300000000 ] - [ -0.0020503900000000, 0.0008901800000000, -0.0026454100000000 ] - [ -0.0000871700000000, -0.0000016400000000, -0.0024400700000000 ] - [ -0.0008714200000000, 0.0002849400000000, -0.0017666200000000 ] - [ -0.0001138400000000, -0.0001540400000000, -0.0021654700000000 ] - [ -0.0000642800000000, -0.0000089100000000, -0.0015986500000000 ] - [ -0.0008004600000000, -0.0002914200000000, -0.0015867900000000 ] - [ 0.0004978500000000, 0.0000020700000000, -0.0016460400000000 ] - [ 0.0003102000000000, 0.0000109400000000, -0.0025988900000000 ] - [ -0.0003138500000000, 0.0005361600000000, -0.0014537200000000 ] - [ -0.0002994700000000, -0.0005512000000000, -0.0015118400000000 ] - [ -0.0002085600000000, -0.0003677400000000, -0.0019008100000000 ] - [ -0.0000037800000000, 0.0000098200000000, -0.0028587800000000 ] - [ -0.0002345600000000, 0.0003539300000000, -0.0018420500000000 ] - [ 0.0000592900000000, 0.0000032500000000, -0.0025278500000000 ] - [ -0.0010349200000000, -0.0001015500000000, -0.0022780400000000 ] - [ -0.0002465300000000, -0.0000065200000000, -0.0020520100000000 ] - [ -0.0002757200000000, -0.0000029000000000, -0.0027941500000000 ] - [ -0.0002439000000000, 0.0001392000000000, -0.0025240000000000 ] - [ -0.0023302700000000, 0.0011882200000000, -0.0026505500000000 ] - [ -0.0010750400000000, 0.0001051300000000, -0.0023878900000000 ] - [ -0.0004209600000000, 0.0003129200000000, -0.0032298700000000 ] - [ -0.0002571000000000, -0.0001475000000000, -0.0025768000000000 ] - [ -0.0033659200000000, -0.0030895400000000, 0.0142706000000000 ] - [ -0.0030741000000000, -0.0015313800000000, -0.0019523300000000 ] - [ 0.0001642600000000, -0.0003902100000000, -0.0032995900000000 ] - [ 0.0273813900000000, -0.0023553800000000, 0.0435620300000000 ] - [ -0.0001959300000000, 0.0001411000000000, 0.0013154100000000 ] - [ -0.0047627300000000, -0.0019307000000000, 0.0069126500000000 ] - [ -0.0030375500000000, 0.0009026100000000, 0.0050174700000000 ] - [ -0.0018239600000000, 0.0008613100000000, -0.0088571100000000 ] - [ -0.0001681500000000, -0.0001016500000000, 0.0007625100000000 ] - [ 0.0004536300000000, 0.0026763400000000, 0.0297848300000000 ] - [ 0.0034762900000000, -0.0036530500000000, 0.0329621300000000 ] - [ 0.0038073700000000, -0.0000347100000000, 0.0055765700000000 ] - [ -0.0003655600000000, -0.0004410500000000, -0.0032690000000000 ] - [ -0.0007372700000000, -0.0004752600000000, -0.0031524700000000 ] - [ 0.0014357300000000, -0.0003459000000000, 0.0082922300000000 ] - [ 0.0021290100000000, 0.0000385500000000, -0.0007211500000000 ] - [ 0.0001534900000000, 0.0001578900000000, -0.0019110800000000 ] - [ 0.0009070300000000, -0.0000105000000000, -0.0014709900000000 ] - [ 0.0023494900000000, -0.0001568500000000, -0.0018164100000000 ] - [ -0.0000074100000000, -0.0000017300000000, -0.0023488200000000 ] - [ 0.0009120500000000, 0.0002938200000000, -0.0019708500000000 ] - [ 0.0001342100000000, -0.0001707100000000, -0.0018725300000000 ] - [ 0.0002146300000000, -0.0000146500000000, -0.0017465300000000 ] - [ 0.0006137000000000, -0.0003309500000000, -0.0016280700000000 ] - [ 0.0005729300000000, 0.0000020800000000, -0.0016000400000000 ] - [ 0.0000971700000000, 0.0000066600000000, -0.0024223000000000 ] - [ -0.0002988600000000, 0.0005520500000000, -0.0015149300000000 ] - [ -0.0003164200000000, -0.0005346900000000, -0.0014496900000000 ]- atom: 11 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001569100000000, 0.0000027800000000, -0.0032357200000000 ] - [ -0.0000687400000000, -0.0000111500000000, -0.0033417100000000 ] - [ -0.0001035700000000, 0.0000536600000000, -0.0031390400000000 ] - [ -0.0007679700000000, 0.0000403300000000, -0.0028667800000000 ] - [ 0.0002021400000000, -0.0000508800000000, -0.0031244600000000 ] - [ 0.0013267500000000, 0.0000020900000000, -0.0020662800000000 ] - [ 0.0003200900000000, -0.0001151000000000, -0.0031719400000000 ] - [ 0.0016383100000000, 0.0000103300000000, -0.0019780100000000 ] - [ 0.0000273200000000, 0.0000206500000000, -0.0027567600000000 ] - [ -0.0109585500000000, -0.0232479800000000, -0.0237176100000000 ] - [ 0.0495376400000000, 0.0303889900000000, 0.1991873700000000 ] - [ -0.0018109100000000, -0.0000699400000000, -0.0016353300000000 ] - [ -0.0030036400000000, -0.0004296800000000, 0.0018213400000000 ] - [ 0.0012351900000000, -0.0007443400000000, 0.0030316700000000 ] - [ -0.0117425300000000, -0.0000443600000000, 0.0482343400000000 ] - [ 0.0005018200000000, -0.0111746000000000, 0.0313666900000000 ] - [ -0.0013122400000000, -0.0004776000000000, -0.0034566500000000 ] - [ -0.0000785400000000, -0.0000081100000000, -0.0029685900000000 ] - [ 0.0000037300000000, 0.0001213200000000, -0.0026841600000000 ] - [ -0.0003292700000000, -0.0000493500000000, -0.0032645500000000 ] - [ -0.0027282200000000, 0.0004814700000000, -0.0051742700000000 ] - [ -0.0002380700000000, -0.0001336400000000, -0.0026668600000000 ] - [ 0.0008693900000000, 0.0001748300000000, -0.0033786900000000 ] - [ 0.0000321200000000, 0.0000018300000000, -0.0038305800000000 ] - [ 0.0001532900000000, 0.0000024400000000, -0.0033468100000000 ] - [ 0.0000205100000000, -0.0000113200000000, -0.0036074500000000 ] - [ 0.0001887800000000, 0.0000513900000000, -0.0031412800000000 ] - [ 0.0007898300000000, 0.0002505900000000, -0.0040469400000000 ] - [ -0.0000900900000000, -0.0000527800000000, -0.0031291300000000 ] - [ -0.0041460600000000, -0.0002787000000000, -0.0061930500000000 ] - [ -0.0008800300000000, -0.0000524600000000, -0.0035130700000000 ] - [ -0.0016094000000000, 0.0002350100000000, -0.0040086600000000 ] - [ 0.0000530600000000, 0.0000306400000000, -0.0037769600000000 ] - [ 0.0011447900000000, -0.0007019900000000, 0.0039987700000000 ] - [ 0.0002639200000000, -0.0003656100000000, 0.0118605200000000 ] - [ 0.0028560300000000, -0.0013348300000000, -0.0053134100000000 ] - [ 0.0072224000000000, 0.0073849300000000, -0.0131936700000000 ] - [ -0.0101534900000000, -0.0215858900000000, -0.0239594300000000 ] - [ -0.0026615500000000, 0.0003131000000000, 0.0112460700000000 ] - [ -0.0000304100000000, -0.0109052200000000, 0.0321954100000000 ] - [ 0.0015205000000000, 0.0001831700000000, -0.0016606100000000 ] - [ -0.0001352300000000, -0.0000101800000000, -0.0027551800000000 ] - [ -0.0002479100000000, 0.0001344100000000, -0.0026743200000000 ] - [ 0.0007015800000000, -0.0001040900000000, -0.0030088500000000 ] - [ 0.0013115200000000, -0.0001883800000000, -0.0017814400000000 ] - [ 0.0000153900000000, -0.0001207100000000, -0.0026718800000000 ] - [ -0.0004094400000000, 0.0000470100000000, -0.0025074000000000 ] - [ 0.0000490200000000, 0.0000022700000000, -0.0037272900000000 ] - [ 0.0092184500000000, -0.0006560100000000, 0.0006066000000000 ] - [ 0.0050931900000000, 0.0045351800000000, -0.0103437800000000 ] - [ 0.0001429800000000, 0.0000092900000000, -0.0023535000000000 ] - [ -0.0096643300000000, 0.0077759900000000, 0.0004994600000000 ] - [ -0.0093115000000000, 0.0070131400000000, -0.0016327800000000 ] - [ -0.0029487900000000, -0.0007796300000000, 0.0006352100000000 ] - [ 0.0001264400000000, 0.0000045900000000, -0.0016633200000000 ] - [ 0.0100752600000000, -0.0003057500000000, 0.0028445900000000 ] - [ 0.0002234400000000, 0.0004276100000000, 0.0020545900000000 ] - [ 0.0000596500000000, -0.0000051900000000, 0.0021792300000000 ] - [ 0.0001915400000000, -0.0004436200000000, 0.0021228500000000 ] - [ -0.0008293900000000, -0.0000023700000000, 0.0014512600000000 ] - [ -0.0004362400000000, -0.0003700700000000, 0.0014484200000000 ] - [ -0.0004977100000000, 0.0000127700000000, 0.0022407800000000 ] - [ -0.0002565800000000, 0.0000022900000000, 0.0025665300000000 ] - [ -0.0001729300000000, -0.0000830800000000, 0.0018648900000000 ] - [ -0.0024471700000000, 0.0002118800000000, 0.0013117000000000 ] - [ -0.0006523700000000, 0.0004286500000000, 0.0016961600000000 ] - [ -0.0005263900000000, 0.0000034200000000, 0.0012836400000000 ] - [ -0.0001991900000000, 0.0000927000000000, 0.0019136000000000 ] - [ -0.0017798400000000, 0.0004027400000000, -0.0087239800000000 ] - [ -0.0033028300000000, -0.0002444000000000, 0.0009779800000000 ] - [ -0.0002131300000000, -0.0000114300000000, 0.0016514800000000 ] - [ -0.0040797500000000, 0.0000971300000000, -0.0063820900000000 ] - [ 0.0014494400000000, -0.0002706100000000, 0.0024897300000000 ] - [ -0.0018955600000000, 0.0079344400000000, -0.0373702900000000 ] - [ 0.0055304300000000, -0.0132763600000000, -0.0390547700000000 ] - [ -0.0001787300000000, 0.0003587600000000, -0.0010337500000000 ] - [ -0.0003142100000000, 0.0006391000000000, 0.0074680400000000 ] - [ 0.0025540700000000, -0.0007678500000000, -0.0055944100000000 ] - [ 0.0045693700000000, 0.0018100600000000, -0.0067303500000000 ] - [ -0.0050702700000000, 0.0033336900000000, -0.0296761500000000 ] - [ -0.0001934700000000, -0.0000028400000000, 0.0014035800000000 ] - [ 0.0003966100000000, 0.0000118300000000, -0.0006417700000000 ] - [ 0.0041470100000000, 0.0042459200000000, -0.0134671800000000 ] - [ 0.0020413600000000, 0.0018351800000000, 0.0028346200000000 ] - [ 0.0001576900000000, 0.0001794400000000, 0.0026031400000000 ] - [ 0.0007201500000000, -0.0001850900000000, 0.0030500200000000 ] - [ 0.0021687200000000, -0.0008889700000000, 0.0023792700000000 ] - [ -0.0000017200000000, 0.0000018700000000, 0.0031870900000000 ] - [ 0.0008575800000000, 0.0000885700000000, 0.0026811700000000 ] - [ 0.0001539200000000, -0.0001716400000000, 0.0025708800000000 ] - [ 0.0001967800000000, 0.0000090600000000, 0.0027090600000000 ] - [ 0.0007860900000000, -0.0000816100000000, 0.0025008800000000 ] - [ -0.0003845400000000, -0.0000018200000000, 0.0023236100000000 ] - [ 0.0000936300000000, -0.0000106500000000, 0.0026817100000000 ] - [ 0.0001751500000000, -0.0002879900000000, 0.0024191400000000 ] - [ 0.0001610600000000, 0.0003034500000000, 0.0024772200000000 ] - [ 0.0001933700000000, 0.0004428400000000, 0.0021186000000000 ] - [ -0.0002013000000000, -0.0000097200000000, 0.0023400000000000 ] - [ 0.0002197000000000, -0.0004286500000000, 0.0020592700000000 ] - [ -0.0007450700000000, -0.0000032500000000, 0.0015068800000000 ] - [ 0.0007794300000000, -0.0001233300000000, 0.0016100900000000 ] - [ -0.0001414900000000, 0.0000067200000000, 0.0020730300000000 ] - [ -0.0001632600000000, 0.0000032800000000, 0.0026683600000000 ] - [ 0.0000759900000000, -0.0001237000000000, 0.0021976700000000 ] - [ 0.0014460200000000, -0.0011982000000000, 0.0019041600000000 ] - [ 0.0008197100000000, 0.0001200500000000, 0.0017196700000000 ] - [ 0.0002621300000000, -0.0003191300000000, 0.0027812200000000 ] - [ 0.0000896100000000, 0.0001325500000000, 0.0022514000000000 ] - [ 0.0033115500000000, 0.0031817400000000, -0.0143988400000000 ] - [ 0.0034934900000000, 0.0015357100000000, 0.0017712500000000 ] - [ 0.0004180700000000, 0.0003987800000000, 0.0035295600000000 ] - [ -0.0295335400000000, 0.0020837000000000, -0.0448217400000000 ] - [ 0.0000902800000000, -0.0004400400000000, -0.0012819900000000 ] - [ 0.0046616000000000, 0.0019352100000000, -0.0067885800000000 ] - [ 0.0026744900000000, -0.0008991800000000, -0.0057124200000000 ] - [ 0.0017497100000000, -0.0005676100000000, 0.0089892700000000 ] - [ 0.0001246300000000, 0.0000153300000000, -0.0004523800000000 ] - [ -0.0004659900000000, -0.0020234500000000, -0.0296658900000000 ] - [ -0.0028398200000000, 0.0041523500000000, -0.0337963600000000 ] - [ -0.0040058500000000, -0.0000297800000000, -0.0065946900000000 ] - [ 0.0005791700000000, 0.0004326200000000, 0.0035766900000000 ] - [ 0.0007078800000000, 0.0005592600000000, 0.0034773900000000 ] - [ -0.0016211900000000, 0.0004104500000000, -0.0093067200000000 ] - [ -0.0025155800000000, -0.0000336200000000, 0.0003388200000000 ] - [ -0.0001122200000000, 0.0001678700000000, 0.0023171300000000 ] - [ -0.0000928200000000, 0.0000106400000000, 0.0017678200000000 ] - [ -0.0022173300000000, 0.0001514100000000, 0.0015578800000000 ] - [ -0.0000810300000000, 0.0000018900000000, 0.0030958000000000 ] - [ -0.0009171600000000, 0.0000786600000000, 0.0028823600000000 ] - [ -0.0000931200000000, -0.0001551400000000, 0.0022790900000000 ] - [ -0.0000809200000000, 0.0000146900000000, 0.0028561600000000 ] - [ -0.0006231200000000, -0.0000417000000000, 0.0025437200000000 ] - [ -0.0004592500000000, -0.0000017700000000, 0.0022776400000000 ] - [ 0.0003056300000000, -0.0000064900000000, 0.0025057400000000 ] - [ 0.0001603800000000, -0.0003041100000000, 0.0024803900000000 ] - [ 0.0001776700000000, 0.0002869700000000, 0.0024151900000000 ]- atom: 12 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0000952700000000, 0.0000000000000000, 0.0007989000000000 ] - [ -0.0001250400000000, 0.0000000000000000, -0.0004927900000000 ] - [ 0.0003420400000000, 0.0000374300000000, -0.0003634400000000 ] - [ -0.0000725400000000, 0.0000000000000000, -0.0006663800000000 ] - [ -0.0001664000000000, -0.0000241800000000, -0.0003120100000000 ] - [ -0.0002422100000000, -0.0000217700000000, -0.0003733800000000 ] - [ -0.0002008500000000, 0.0000000000000000, -0.0002148300000000 ] - [ -0.0002422100000000, 0.0000217700000000, -0.0003733800000000 ] - [ -0.0000932500000000, 0.0000000000000000, -0.0002102700000000 ] - [ 0.0007272800000000, 0.0000000000000000, -0.0001611100000000 ] - [ 0.0027160800000000, 0.0004802900000000, 0.0011303300000000 ] - [ -0.2608900400000000, 0.0000000000000000, 0.0151991100000000 ] - [ 0.0003984400000000, 0.0000000000000000, -0.0011407900000000 ] - [ 0.0072299900000000, 0.0000000000000000, -0.0254879000000000 ] - [ 0.0027160800000000, -0.0004802900000000, 0.0011303300000000 ] - [ 0.0035181100000000, 0.0000000000000000, -0.0026676200000000 ] - [ 0.0295838100000000, 0.0224836600000000, -0.0051270000000000 ] - [ 0.0028072600000000, 0.0000000000000000, -0.0019699700000000 ] - [ 0.0025935900000000, -0.0004209100000000, 0.0019561300000000 ] - [ 0.0073292900000000, 0.0000000000000000, -0.0228809900000000 ] - [ 0.0295838100000000, -0.0224836600000000, -0.0051270000000000 ] - [ -0.0015678100000000, 0.0003454600000000, -0.0022071700000000 ] - [ 0.0140731400000000, 0.0000000000000000, 0.0005921300000000 ] - [ 0.0010252600000000, 0.0000000000000000, -0.0010203000000000 ] - [ 0.0001798200000000, 0.0000000000000000, -0.0007248400000000 ] - [ -0.0000244600000000, 0.0000000000000000, -0.0008702400000000 ] - [ -0.0001664000000000, 0.0000241800000000, -0.0003120100000000 ] - [ -0.0001443300000000, 0.0000000000000000, -0.0006282300000000 ] - [ 0.0003420400000000, -0.0000374300000000, -0.0003634400000000 ] - [ 0.0001670500000000, 0.0000180600000000, -0.0003085600000000 ] - [ -0.0000241000000000, 0.0000000000000000, -0.0002777400000000 ] - [ 0.0001670500000000, -0.0000180600000000, -0.0003085600000000 ] - [ -0.0000798400000000, 0.0000000000000000, -0.0002919700000000 ] - [ -0.0006672300000000, 0.0000000000000000, -0.0006922400000000 ] - [ -0.0015505300000000, -0.0000192000000000, -0.0029739400000000 ] - [ 0.0125702700000000, 0.0000000000000000, -0.0026825200000000 ] - [ 0.0002149500000000, 0.0000000000000000, 0.0004426300000000 ] - [ 0.0051623900000000, 0.0000000000000000, 0.0051020700000000 ] - [ -0.0015505300000000, 0.0000192000000000, -0.0029739400000000 ] - [ -0.0041249300000000, 0.0000000000000000, 0.0019672200000000 ] - [ 0.0340881700000000, 0.0259700000000000, -0.0035265800000000 ] - [ -0.0049200200000000, 0.0000000000000000, 0.0020845900000000 ] - [ -0.0015678100000000, -0.0003454600000000, -0.0022071700000000 ] - [ 0.0051771100000000, 0.0000000000000000, 0.0048901100000000 ] - [ 0.0340881700000000, -0.0259700000000000, -0.0035265800000000 ] - [ 0.0025935900000000, 0.0004209100000000, 0.0019561300000000 ] - [ -0.0251311600000000, 0.0000000000000000, 0.0000777400000000 ] - [ -0.0011177800000000, 0.0000000000000000, 0.0001738300000000 ] - [ -0.0007450300000000, 0.0000000000000000, -0.0000565100000000 ] - [ 0.0096444200000000, 0.0000000000000000, 0.0002677100000000 ] - [ 0.0040337200000000, 0.0000000000000000, -0.0022069500000000 ] - [ -0.0035928700000000, 0.0000000000000000, 0.0141966300000000 ] - [ 0.0005307700000000, 0.0000000000000000, -0.0007867700000000 ] - [ -0.0158056200000000, 0.0000000000000000, 0.0005159900000000 ] - [ -0.0033561200000000, 0.0000000000000000, 0.0142245600000000 ] - [ 0.0043115900000000, 0.0000000000000000, -0.0030144200000000 ] - [ -0.0001556000000000, 0.0000068200000000, 0.0000521900000000 ] - [ -0.0001839500000000, 0.0000000000000000, -0.0000686400000000 ] - [ 0.0001603900000000, -0.0001220600000000, 0.0005104300000000 ] - [ -0.0001553000000000, 0.0000000000000000, -0.0004876000000000 ] - [ -0.0000590900000000, -0.0001176900000000, -0.0001598900000000 ] - [ -0.0001234000000000, 0.0000000000000000, 0.0002426300000000 ] - [ -0.0000143700000000, 0.0000000000000000, 0.0000872000000000 ] - [ -0.0000385600000000, -0.0000096900000000, -0.0000002600000000 ] - [ -0.0003036200000000, 0.0000000000000000, -0.0002211600000000 ] - [ -0.0000590900000000, 0.0001176900000000, -0.0001598900000000 ] - [ -0.0000450800000000, 0.0000000000000000, -0.0000025000000000 ] - [ -0.0000385600000000, 0.0000096900000000, -0.0000002600000000 ] - [ 0.0012747600000000, 0.0001488600000000, 0.0003669800000000 ] - [ 0.0004809300000000, 0.0000000000000000, 0.0000215600000000 ] - [ 0.0003059100000000, 0.0000000000000000, 0.0003601900000000 ] - [ 0.0012747600000000, -0.0001488600000000, 0.0003669800000000 ] - [ -0.0002689700000000, -0.0000905300000000, -0.0000351900000000 ] - [ -0.0031079500000000, 0.0000000000000000, -0.0000694600000000 ] - [ -0.0009011200000000, 0.0000000000000000, -0.0011077600000000 ] - [ 0.0001865900000000, 0.0001523100000000, 0.0004616100000000 ] - [ -0.0091237000000000, 0.0022674200000000, -0.0007270200000000 ] - [ 0.0049678200000000, 0.0000000000000000, 0.0024373500000000 ] - [ 0.0004780500000000, 0.0000000000000000, 0.0013549500000000 ] - [ -0.0008874900000000, 0.0012114300000000, -0.0050788800000000 ] - [ 0.0347174200000000, 0.0000000000000000, 0.0110438500000000 ] - [ 0.0304108200000000, 0.0123933600000000, -0.0071649900000000 ] - [ -0.0008874900000000, -0.0012114300000000, -0.0050788800000000 ] - [ -0.0003583900000000, 0.0000000000000000, -0.0047289200000000 ] - [ -0.0011008500000000, 0.0004136300000000, 0.0041657700000000 ] - [ -0.0112859600000000, 0.0000000000000000, 0.0067859300000000 ] - [ 0.0419747700000000, 0.0000000000000000, 0.0128852000000000 ] - [ 0.0003186300000000, 0.0000000000000000, 0.0018537500000000 ] - [ 0.0230469700000000, -0.0017810600000000, 0.0030682800000000 ] - [ -0.0011008500000000, -0.0004136300000000, 0.0041657700000000 ] - [ 0.0046850700000000, 0.0000000000000000, 0.0027316100000000 ] - [ 0.0230469700000000, 0.0017810600000000, 0.0030682800000000 ] - [ -0.0000654000000000, 0.0000000000000000, 0.0015900800000000 ] - [ -0.0030995200000000, 0.0000000000000000, -0.0000302100000000 ] - [ 0.0015547300000000, -0.0000767100000000, 0.0009631300000000 ] - [ -0.0013573000000000, 0.0000442200000000, 0.0007411000000000 ] - [ 0.0001603900000000, 0.0001220600000000, 0.0005104300000000 ] - [ -0.0000150900000000, 0.0000000000000000, 0.0000195200000000 ] - [ -0.0001556000000000, -0.0000068200000000, 0.0000521900000000 ] - [ -0.0005869000000000, 0.0000000000000000, -0.0001655100000000 ] - [ -0.0001506900000000, -0.0001403000000000, -0.0001246500000000 ] - [ -0.0002956700000000, 0.0000000000000000, 0.0001908700000000 ] - [ -0.0004082000000000, 0.0000000000000000, 0.0003626000000000 ] - [ -0.0001217700000000, -0.0000018400000000, 0.0000993900000000 ] - [ -0.0006342500000000, 0.0000000000000000, -0.0000822500000000 ] - [ -0.0001506900000000, 0.0001403000000000, -0.0001246500000000 ] - [ -0.0001441200000000, 0.0000000000000000, -0.0000308000000000 ] - [ -0.0001217700000000, 0.0000018400000000, 0.0000993900000000 ] - [ -0.0011861700000000, 0.0000601100000000, 0.0002604400000000 ] - [ -0.0000782200000000, 0.0000000000000000, 0.0002552800000000 ] - [ 0.0002188900000000, 0.0000000000000000, 0.0003142300000000 ] - [ -0.0011861700000000, -0.0000601100000000, 0.0002604400000000 ] - [ 0.0001865900000000, -0.0001523100000000, 0.0004616100000000 ] - [ 0.0037375100000000, 0.0000000000000000, 0.0027924400000000 ] - [ 0.0002916300000000, 0.0000000000000000, 0.0008791200000000 ] - [ -0.0002689700000000, 0.0000905300000000, -0.0000351900000000 ] - [ 0.0304108200000000, -0.0123933600000000, -0.0071649900000000 ] - [ -0.0025675700000000, 0.0000000000000000, -0.0011523400000000 ] - [ -0.0002438600000000, 0.0000000000000000, -0.0018736700000000 ] - [ -0.0012960100000000, -0.0000867800000000, 0.0038351100000000 ] - [ -0.0066037300000000, 0.0000000000000000, 0.0011337800000000 ] - [ -0.0091237000000000, -0.0022674200000000, -0.0007270200000000 ] - [ -0.0012960100000000, 0.0000867800000000, 0.0038351100000000 ] - [ -0.0107418000000000, 0.0000000000000000, 0.0059854300000000 ] - [ -0.0009024200000000, -0.0013209100000000, -0.0044189800000000 ] - [ 0.0038732800000000, 0.0000000000000000, -0.0053236400000000 ] - [ -0.0071592700000000, 0.0000000000000000, 0.0001729300000000 ] - [ -0.0005273100000000, 0.0000000000000000, -0.0012475600000000 ] - [ -0.0091950900000000, -0.0016390600000000, -0.0008639400000000 ] - [ -0.0009024200000000, 0.0013209100000000, -0.0044189800000000 ] - [ -0.0025698100000000, 0.0000000000000000, -0.0002214000000000 ] - [ -0.0091950900000000, 0.0016390600000000, -0.0008639400000000 ] - [ -0.0002481300000000, 0.0000000000000000, -0.0005108900000000 ] - [ 0.0049955800000000, 0.0000000000000000, 0.0047459300000000 ] - [ -0.0013573000000000, -0.0000442200000000, 0.0007411000000000 ] - [ 0.0015547300000000, 0.0000767100000000, 0.0009631300000000 ]- atom: 12 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001933000000000, 0.0000000000000000, -0.0001823800000000 ] - [ 0.0000013800000000, 0.0000000000000000, -0.0002707600000000 ] - [ -0.0001822500000000, 0.0000420600000000, 0.0003053300000000 ] - [ -0.0001560600000000, 0.0000000000000000, -0.0000466300000000 ] - [ 0.0003256900000000, -0.0000550500000000, 0.0002534500000000 ] - [ 0.0002039400000000, 0.0000304700000000, 0.0003757100000000 ] - [ 0.0000020300000000, 0.0000000000000000, 0.0003813300000000 ] - [ 0.0002039400000000, -0.0000304700000000, 0.0003757100000000 ] - [ -0.0001038200000000, 0.0000000000000000, 0.0003371900000000 ] - [ -0.0007330200000000, 0.0000000000000000, 0.0000961200000000 ] - [ -0.0025221100000000, -0.0006304700000000, -0.0018800400000000 ] - [ 0.2614797900000000, 0.0000000000000000, -0.0149783700000000 ] - [ 0.0002069000000000, 0.0000000000000000, 0.0008976900000000 ] - [ -0.0072422500000000, 0.0000000000000000, 0.0246940100000000 ] - [ -0.0025221100000000, 0.0006304700000000, -0.0018800400000000 ] - [ -0.0028132700000000, 0.0000000000000000, 0.0023313200000000 ] - [ -0.0297402100000000, -0.0226766200000000, 0.0051499700000000 ] - [ -0.0030438400000000, 0.0000000000000000, 0.0025671200000000 ] - [ -0.0028090500000000, 0.0006538900000000, -0.0009941600000000 ] - [ -0.0068574400000000, 0.0000000000000000, 0.0240958800000000 ] - [ -0.0297402100000000, 0.0226766200000000, 0.0051499700000000 ] - [ 0.0013541800000000, -0.0005806700000000, 0.0031560100000000 ] - [ -0.0137139900000000, 0.0000000000000000, 0.0001858800000000 ] - [ -0.0009584900000000, 0.0000000000000000, 0.0007891100000000 ] - [ 0.0001097400000000, 0.0000000000000000, 0.0013378700000000 ] - [ -0.0000981900000000, 0.0000000000000000, 0.0001061100000000 ] - [ 0.0003256900000000, 0.0000550500000000, 0.0002534500000000 ] - [ -0.0000840400000000, 0.0000000000000000, -0.0000851300000000 ] - [ -0.0001822500000000, -0.0000420600000000, 0.0003053300000000 ] - [ -0.0002059300000000, -0.0000093400000000, 0.0003103100000000 ] - [ -0.0001746500000000, 0.0000000000000000, 0.0004441600000000 ] - [ -0.0002059300000000, 0.0000093400000000, 0.0003103100000000 ] - [ -0.0001169600000000, 0.0000000000000000, 0.0004184000000000 ] - [ 0.0006624100000000, 0.0000000000000000, 0.0006301200000000 ] - [ 0.0017421200000000, -0.0001292100000000, 0.0022369700000000 ] - [ -0.0124795500000000, 0.0000000000000000, 0.0022631400000000 ] - [ 0.0003918200000000, 0.0000000000000000, -0.0006891800000000 ] - [ -0.0051070600000000, 0.0000000000000000, -0.0057813800000000 ] - [ 0.0017421200000000, 0.0001292100000000, 0.0022369700000000 ] - [ 0.0048479400000000, 0.0000000000000000, -0.0023038800000000 ] - [ -0.0336122900000000, -0.0255062800000000, 0.0035088000000000 ] - [ 0.0046657800000000, 0.0000000000000000, -0.0014868200000000 ] - [ 0.0013541800000000, 0.0005806700000000, 0.0031560100000000 ] - [ -0.0047643700000000, 0.0000000000000000, -0.0037842500000000 ] - [ -0.0336122900000000, 0.0255062800000000, 0.0035088000000000 ] - [ -0.0028090500000000, -0.0006538900000000, -0.0009941600000000 ] - [ 0.0254700100000000, 0.0000000000000000, 0.0006168000000000 ] - [ 0.0011787700000000, 0.0000000000000000, -0.0004045700000000 ] - [ 0.0005789400000000, 0.0000000000000000, -0.0003708000000000 ] - [ -0.0095602800000000, 0.0000000000000000, -0.0002588500000000 ] - [ -0.0037541600000000, 0.0000000000000000, 0.0032385600000000 ] - [ 0.0035823700000000, 0.0000000000000000, -0.0147466800000000 ] - [ -0.0007004200000000, 0.0000000000000000, 0.0003591900000000 ] - [ 0.0158967200000000, 0.0000000000000000, -0.0004495400000000 ] - [ 0.0036117200000000, 0.0000000000000000, -0.0131697600000000 ] - [ -0.0043504800000000, 0.0000000000000000, 0.0024910200000000 ] - [ 0.0001386400000000, 0.0000650200000000, 0.0001625300000000 ] - [ -0.0000202200000000, 0.0000000000000000, -0.0004501900000000 ] - [ -0.0001772200000000, 0.0000497800000000, -0.0002947800000000 ] - [ -0.0005265800000000, 0.0000000000000000, -0.0005369200000000 ] - [ -0.0002045900000000, -0.0001088900000000, -0.0005090300000000 ] - [ -0.0002635500000000, 0.0000000000000000, -0.0002225500000000 ] - [ -0.0004241000000000, 0.0000000000000000, -0.0002183300000000 ] - [ -0.0001311900000000, 0.0000276500000000, -0.0003289900000000 ] - [ -0.0006136100000000, 0.0000000000000000, -0.0005199200000000 ] - [ -0.0002045900000000, 0.0001088900000000, -0.0005090300000000 ] - [ -0.0001166900000000, 0.0000000000000000, -0.0004595000000000 ] - [ -0.0001311900000000, -0.0000276500000000, -0.0003289900000000 ] - [ -0.0013272400000000, -0.0000665500000000, -0.0004856200000000 ] - [ -0.0000862600000000, 0.0000000000000000, -0.0001909200000000 ] - [ 0.0002759000000000, 0.0000000000000000, -0.0001399400000000 ] - [ -0.0013272400000000, 0.0000665500000000, -0.0004856200000000 ] - [ 0.0001671700000000, -0.0002058800000000, 0.0000748800000000 ] - [ 0.0030044200000000, 0.0000000000000000, 0.0002142000000000 ] - [ 0.0005383400000000, 0.0000000000000000, 0.0004235400000000 ] - [ -0.0002887500000000, 0.0001440900000000, -0.0004231300000000 ] - [ 0.0090752300000000, -0.0023571600000000, 0.0010375500000000 ] - [ -0.0047062300000000, 0.0000000000000000, -0.0029307100000000 ] - [ -0.0001352700000000, 0.0000000000000000, -0.0017899600000000 ] - [ 0.0007093000000000, -0.0012741800000000, 0.0040742400000000 ] - [ -0.0318578400000000, 0.0000000000000000, -0.0090379200000000 ] - [ -0.0301489900000000, -0.0117550100000000, 0.0070131500000000 ] - [ 0.0007093000000000, 0.0012741800000000, 0.0040742400000000 ] - [ -0.0000448200000000, 0.0000000000000000, 0.0043256400000000 ] - [ 0.0011265300000000, -0.0000848200000000, -0.0037609300000000 ] - [ 0.0121312700000000, 0.0000000000000000, -0.0065418000000000 ] - [ -0.0452069600000000, 0.0000000000000000, -0.0150385900000000 ] - [ -0.0004085600000000, 0.0000000000000000, -0.0011063200000000 ] - [ -0.0233278000000000, 0.0018911900000000, -0.0019295200000000 ] - [ 0.0011265300000000, 0.0000848200000000, -0.0037609300000000 ] - [ -0.0045466800000000, 0.0000000000000000, -0.0016130600000000 ] - [ -0.0233278000000000, -0.0018911900000000, -0.0019295200000000 ] - [ 0.0001788400000000, 0.0000000000000000, -0.0009086200000000 ] - [ 0.0035041500000000, 0.0000000000000000, 0.0000990900000000 ] - [ -0.0016903500000000, 0.0003260000000000, 0.0000071200000000 ] - [ 0.0012149900000000, -0.0002935600000000, 0.0002257500000000 ] - [ -0.0001772200000000, -0.0000497800000000, -0.0002947800000000 ] - [ -0.0001890700000000, 0.0000000000000000, -0.0005380300000000 ] - [ 0.0001386400000000, -0.0000650200000000, 0.0001625300000000 ] - [ -0.0000960200000000, 0.0000000000000000, -0.0008588000000000 ] - [ -0.0001126000000000, -0.0000861900000000, -0.0005443100000000 ] - [ -0.0000915000000000, 0.0000000000000000, -0.0001710000000000 ] - [ -0.0000312900000000, 0.0000000000000000, -0.0004939400000000 ] - [ -0.0000480700000000, 0.0000198300000000, -0.0004283900000000 ] - [ -0.0002823000000000, 0.0000000000000000, -0.0006587900000000 ] - [ -0.0001126000000000, 0.0000861900000000, -0.0005443100000000 ] - [ -0.0000174500000000, 0.0000000000000000, -0.0004309300000000 ] - [ -0.0000480700000000, -0.0000198300000000, -0.0004283900000000 ] - [ 0.0011385300000000, 0.0000222800000000, -0.0003755400000000 ] - [ 0.0004744800000000, 0.0000000000000000, -0.0004241500000000 ] - [ 0.0003630000000000, 0.0000000000000000, -0.0000936500000000 ] - [ 0.0011385300000000, -0.0000222800000000, -0.0003755400000000 ] - [ -0.0002887500000000, -0.0001440900000000, -0.0004231300000000 ] - [ -0.0038478500000000, 0.0000000000000000, -0.0026646000000000 ] - [ -0.0006525400000000, 0.0000000000000000, -0.0015672000000000 ] - [ 0.0001671700000000, 0.0002058800000000, 0.0000748800000000 ] - [ -0.0301489900000000, 0.0117550100000000, 0.0070131500000000 ] - [ 0.0028331600000000, 0.0000000000000000, 0.0006775700000000 ] - [ 0.0005836300000000, 0.0000000000000000, 0.0014453800000000 ] - [ 0.0011333300000000, 0.0000301000000000, -0.0048505200000000 ] - [ 0.0067998300000000, 0.0000000000000000, -0.0008352200000000 ] - [ 0.0090752300000000, 0.0023571600000000, 0.0010375500000000 ] - [ 0.0011333300000000, -0.0000301000000000, -0.0048505200000000 ] - [ 0.0103409800000000, 0.0000000000000000, -0.0063362500000000 ] - [ 0.0009426300000000, 0.0016444600000000, 0.0048131600000000 ] - [ -0.0030294000000000, 0.0000000000000000, 0.0056127300000000 ] - [ 0.0073106000000000, 0.0000000000000000, -0.0004477400000000 ] - [ 0.0004398700000000, 0.0000000000000000, 0.0019889300000000 ] - [ 0.0091882900000000, 0.0020112900000000, 0.0017573200000000 ] - [ 0.0009426300000000, -0.0016444600000000, 0.0048131600000000 ] - [ 0.0027034500000000, 0.0000000000000000, 0.0013202200000000 ] - [ 0.0091882900000000, -0.0020112900000000, 0.0017573200000000 ] - [ 0.0003654300000000, 0.0000000000000000, 0.0011882700000000 ] - [ -0.0045836500000000, 0.0000000000000000, -0.0046567000000000 ] - [ 0.0012149900000000, 0.0002935600000000, 0.0002257500000000 ] - [ -0.0016903500000000, -0.0003260000000000, 0.0000071200000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001445300000000, 0.0000166000000000, 0.0002964100000000 ] - [ -0.0000622500000000, -0.0000126800000000, -0.0003879500000000 ] - [ 0.0000722800000000, 0.0000395300000000, -0.0000493500000000 ] - [ -0.0001142200000000, 0.0000026000000000, -0.0003556800000000 ] - [ 0.0000874800000000, -0.0000389000000000, -0.0000247600000000 ] - [ -0.0000286500000000, 0.0000046700000000, -0.0000012700000000 ] - [ -0.0000992100000000, -0.0000031100000000, 0.0000828000000000 ] - [ -0.0000091500000000, -0.0000045000000000, 0.0000158400000000 ] - [ -0.0000986100000000, 0.0000031800000000, 0.0000613400000000 ] - [ -0.0000032800000000, -0.0001663500000000, -0.0000231200000000 ] - [ 0.0002381100000000, -0.0000792000000000, -0.0003190800000000 ] - [ -0.0006021000000000, -0.1720895200000000, 0.0004291000000000 ] - [ 0.0003028000000000, 0.0000351500000000, -0.0001116000000000 ] - [ 0.0000046900000000, -0.0251339100000000, -0.0003016800000000 ] - [ -0.0000444700000000, 0.0000692300000000, -0.0004204900000000 ] - [ 0.0003522600000000, -0.0018685800000000, -0.0001625700000000 ] - [ 0.0233143400000000, 0.0033797400000000, 0.0076873200000000 ] - [ -0.0001212300000000, -0.0017909200000000, 0.0002941500000000 ] - [ -0.0003005800000000, 0.0001137600000000, 0.0003857600000000 ] - [ 0.0002265900000000, -0.0235412900000000, 0.0005233500000000 ] - [ -0.0233380100000000, 0.0031976900000000, -0.0076732200000000 ] - [ 0.0009088400000000, -0.0000728200000000, 0.0016587300000000 ] - [ 0.0001913300000000, 0.0006868300000000, 0.0003811800000000 ] - [ 0.0000320600000000, 0.0003088300000000, -0.0001247100000000 ] - [ 0.0001445000000000, 0.0000297700000000, 0.0002960400000000 ] - [ -0.0000621900000000, -0.0000132400000000, -0.0003879500000000 ] - [ 0.0000724400000000, 0.0000398000000000, -0.0000460800000000 ] - [ -0.0001142100000000, 0.0000030000000000, -0.0003557200000000 ] - [ 0.0000876700000000, -0.0000392700000000, -0.0000214600000000 ] - [ -0.0000297600000000, 0.0000045000000000, -0.0000027700000000 ] - [ -0.0000992100000000, -0.0000035900000000, 0.0000827900000000 ] - [ -0.0000084600000000, -0.0000046300000000, 0.0000174700000000 ] - [ -0.0000986200000000, 0.0000029700000000, 0.0000612800000000 ] - [ -0.0000023000000000, -0.0001039600000000, -0.0000232400000000 ] - [ 0.0011153500000000, -0.0000769600000000, 0.0008458600000000 ] - [ 0.0000435700000000, -0.0012091300000000, -0.0002098200000000 ] - [ 0.0003026600000000, 0.0000249100000000, -0.0001127700000000 ] - [ 0.0000079200000000, -0.0007741200000000, -0.0003480000000000 ] - [ -0.0009136200000000, 0.0000678700000000, -0.0015816800000000 ] - [ 0.0003551300000000, -0.0001498300000000, -0.0001663600000000 ] - [ 0.0267459000000000, 0.0040800100000000, 0.0079699400000000 ] - [ -0.0001215900000000, -0.0002820100000000, 0.0002954400000000 ] - [ -0.0011273000000000, 0.0001631600000000, -0.0007093700000000 ] - [ 0.0002273600000000, -0.0008864900000000, 0.0005613700000000 ] - [ -0.0264765500000000, 0.0040949000000000, -0.0079954400000000 ] - [ 0.0000843400000000, -0.0001205600000000, 0.0005634000000000 ] - [ 0.0001415700000000, 0.0362691200000000, 0.0005040100000000 ] - [ 0.0000319400000000, 0.0001555900000000, -0.0001244600000000 ] - [ -0.0000838300000000, 0.0000592000000000, -0.0002115300000000 ] - [ 0.0000314400000000, 0.0003616100000000, 0.0000149100000000 ] - [ 0.0001372800000000, 0.0019813600000000, 0.0005101000000000 ] - [ -0.0000045400000000, -0.0018856600000000, -0.0002419500000000 ] - [ -0.0000842600000000, 0.0001406900000000, -0.0002111900000000 ] - [ 0.0000632600000000, 0.0236973300000000, -0.0000818200000000 ] - [ 0.0001280000000000, -0.0013765400000000, 0.0004953000000000 ] - [ -0.0000199600000000, 0.0021785500000000, -0.0002568500000000 ] - [ -0.0000178300000000, 0.0000403100000000, 0.0001258200000000 ] - [ -0.0001018100000000, 0.0000028000000000, -0.0002620500000000 ] - [ -0.0000077700000000, -0.0000325500000000, 0.0000875300000000 ] - [ -0.0003427100000000, 0.0000121700000000, -0.0005115600000000 ] - [ -0.0001301000000000, -0.0001127200000000, -0.0003359300000000 ] - [ -0.0001940300000000, -0.0000015700000000, 0.0000098100000000 ] - [ -0.0002196900000000, -0.0000224600000000, -0.0000652200000000 ] - [ -0.0000863000000000, 0.0000088700000000, -0.0001617900000000 ] - [ -0.0004502700000000, -0.0000094200000000, -0.0003728900000000 ] - [ -0.0001312600000000, 0.0001134900000000, -0.0003328900000000 ] - [ -0.0000832400000000, -0.0000014500000000, -0.0002282900000000 ] - [ -0.0000836400000000, -0.0000077700000000, -0.0001684200000000 ] - [ -0.0001076400000000, 0.0000737500000000, -0.0002708300000000 ] - [ 0.0001975800000000, 0.0000168400000000, -0.0000834900000000 ] - [ 0.0002889000000000, 0.0000022100000000, 0.0001084900000000 ] - [ 0.0000584900000000, -0.0000113500000000, 0.0001550600000000 ] - [ -0.0000345900000000, -0.0001580600000000, -0.0000148500000000 ] - [ -0.0000505100000000, 0.0002237300000000, 0.0000632800000000 ] - [ -0.0001819400000000, 0.0000364200000000, -0.0003428200000000 ] - [ -0.0000523000000000, 0.0001465600000000, 0.0000497300000000 ] - [ -0.0006676800000000, 0.0003324800000000, 0.0001422400000000 ] - [ 0.0001363100000000, 0.0040913800000000, -0.0002419100000000 ] - [ 0.0001701800000000, 0.0003972300000000, -0.0002214100000000 ] - [ 0.0000323000000000, 0.0000060200000000, -0.0006856800000000 ] - [ -0.0000239300000000, 0.0227490500000000, 0.0000663800000000 ] - [ 0.0088350500000000, 0.0399325800000000, -0.0148461800000000 ] - [ -0.0002089500000000, 0.0000578400000000, -0.0003252400000000 ] - [ -0.0001492500000000, -0.0070859800000000, -0.0001817900000000 ] - [ -0.0017956900000000, 0.0014064900000000, 0.0038164100000000 ] - [ 0.0004140400000000, 0.0045039600000000, 0.0001564900000000 ] - [ 0.0002228600000000, 0.0221075400000000, -0.0000467700000000 ] - [ -0.0000443500000000, 0.0003740400000000, 0.0003718300000000 ] - [ -0.0046454300000000, 0.0138112900000000, 0.0023041600000000 ] - [ 0.0018367600000000, 0.0010759400000000, -0.0034133000000000 ] - [ 0.0000608100000000, 0.0039349400000000, 0.0005515200000000 ] - [ 0.0040923600000000, 0.0145128400000000, -0.0006306600000000 ] - [ 0.0000573300000000, -0.0003755700000000, 0.0003373500000000 ] - [ 0.0002016200000000, 0.0001506700000000, 0.0000405400000000 ] - [ 0.0000735100000000, 0.0000664100000000, 0.0007317300000000 ] - [ 0.0002317100000000, -0.0002227100000000, 0.0001792200000000 ] - [ -0.0000075700000000, 0.0000420000000000, 0.0001283000000000 ] - [ -0.0001018500000000, 0.0000034700000000, -0.0002620800000000 ] - [ 0.0000024500000000, -0.0000339900000000, 0.0000899000000000 ] - [ -0.0003427700000000, 0.0000125300000000, -0.0005114800000000 ] - [ -0.0001303100000000, -0.0001128400000000, -0.0003356600000000 ] - [ -0.0001940400000000, -0.0000014200000000, 0.0000097800000000 ] - [ -0.0002196200000000, -0.0000228300000000, -0.0000649800000000 ] - [ -0.0000859100000000, 0.0000087400000000, -0.0001621700000000 ] - [ -0.0004501100000000, -0.0000113600000000, -0.0003729700000000 ] - [ -0.0001307700000000, 0.0001132900000000, -0.0003332900000000 ] - [ -0.0000831100000000, -0.0000019800000000, -0.0002283300000000 ] - [ -0.0000839800000000, -0.0000078900000000, -0.0001680300000000 ] - [ 0.0002325600000000, 0.0001157000000000, -0.0003246100000000 ] - [ 0.0001978900000000, 0.0000175000000000, -0.0000836500000000 ] - [ 0.0002889700000000, 0.0000024700000000, 0.0001085000000000 ] - [ -0.0002791100000000, 0.0000310300000000, 0.0002075600000000 ] - [ -0.0000535100000000, -0.0001514700000000, -0.0000080200000000 ] - [ -0.0000586300000000, -0.0021169400000000, 0.0000648700000000 ] - [ -0.0001834100000000, -0.0002217700000000, -0.0003434000000000 ] - [ -0.0000704500000000, 0.0001402300000000, 0.0000570200000000 ] - [ -0.0077110900000000, 0.0383008500000000, 0.0137388800000000 ] - [ 0.0001342500000000, -0.0000885500000000, -0.0002417000000000 ] - [ 0.0001706200000000, 0.0000001200000000, -0.0002187200000000 ] - [ 0.0016912300000000, 0.0009455000000000, -0.0041430400000000 ] - [ 0.0001071600000000, -0.0035980700000000, 0.0001443900000000 ] - [ 0.0006368900000000, 0.0003980200000000, 0.0001600600000000 ] - [ -0.0018648100000000, 0.0010007000000000, 0.0031153700000000 ] - [ -0.0002079200000000, 0.0078553900000000, -0.0002086900000000 ] - [ -0.0000119900000000, 0.0002541900000000, 0.0005336000000000 ] - [ 0.0003650400000000, -0.0077159400000000, 0.0001331500000000 ] - [ 0.0000725700000000, -0.0037760200000000, -0.0001215700000000 ] - [ -0.0000442700000000, 0.0000173200000000, 0.0003710500000000 ] - [ 0.0005507000000000, 0.0005105600000000, 0.0005406400000000 ] - [ 0.0000507000000000, -0.0000814100000000, -0.0001337900000000 ] - [ 0.0000661900000000, -0.0000530900000000, 0.0005534200000000 ] - [ -0.0005636600000000, 0.0001198900000000, 0.0003711800000000 ] - [ 0.0000567700000000, -0.0000209700000000, 0.0003374300000000 ] - [ 0.0002111600000000, -0.0033474300000000, 0.0000416500000000 ] - [ -0.0003704600000000, 0.0000252700000000, 0.0007843600000000 ] - [ -0.0002121900000000, -0.0001814300000000, 0.0002315100000000 ]- atom: 12 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0003781500000000, 0.0000000000000000, 0.0034997200000000 ] - [ 0.0000495400000000, 0.0000000000000000, 0.0025285200000000 ] - [ 0.0000499700000000, -0.0000046500000000, 0.0028529800000000 ] - [ -0.0002167000000000, 0.0000000000000000, 0.0026211800000000 ] - [ 0.0001539600000000, -0.0000337600000000, 0.0030688600000000 ] - [ 0.0003087800000000, 0.0000203800000000, 0.0036257400000000 ] - [ 0.0000851300000000, 0.0000000000000000, 0.0034343200000000 ] - [ 0.0003087800000000, -0.0000203800000000, 0.0036257400000000 ] - [ -0.0001881300000000, 0.0000000000000000, 0.0032647400000000 ] - [ 0.0000992700000000, 0.0000000000000000, 0.0030211100000000 ] - [ 0.0011338000000000, -0.0000201200000000, 0.0011755700000000 ] - [ -0.0226337400000000, 0.0000000000000000, -0.1850222500000000 ] - [ 0.0000214200000000, 0.0000000000000000, 0.0034181600000000 ] - [ -0.0237351400000000, 0.0000000000000000, 0.0178244000000000 ] - [ 0.0011338000000000, 0.0000201200000000, 0.0011755700000000 ] - [ -0.0016693400000000, 0.0000000000000000, 0.0020215000000000 ] - [ -0.0000491900000000, 0.0112048800000000, -0.0296042600000000 ] - [ -0.0021961300000000, 0.0000000000000000, 0.0023579600000000 ] - [ 0.0010911600000000, 0.0000168100000000, 0.0018360900000000 ] - [ -0.0232338700000000, 0.0000000000000000, 0.0165724800000000 ] - [ -0.0000491900000000, -0.0112048800000000, -0.0296042600000000 ] - [ -0.0020321600000000, 0.0014376200000000, 0.0055784000000000 ] - [ 0.0025048300000000, 0.0000000000000000, -0.0032488900000000 ] - [ -0.0007133400000000, 0.0000000000000000, 0.0030600000000000 ] - [ -0.0000584000000000, 0.0000000000000000, 0.0040988800000000 ] - [ -0.0002457600000000, 0.0000000000000000, 0.0026290900000000 ] - [ 0.0001539600000000, 0.0000337600000000, 0.0030688600000000 ] - [ -0.0001246100000000, 0.0000000000000000, 0.0026236400000000 ] - [ 0.0000499700000000, 0.0000046500000000, 0.0028529800000000 ] - [ 0.0001513300000000, 0.0000051900000000, 0.0034120800000000 ] - [ -0.0000097800000000, 0.0000000000000000, 0.0033681700000000 ] - [ 0.0001513300000000, -0.0000051900000000, 0.0034120800000000 ] - [ -0.0002610700000000, 0.0000000000000000, 0.0032440300000000 ] - [ -0.0000621100000000, 0.0000000000000000, 0.0039957300000000 ] - [ -0.0016384900000000, 0.0016710100000000, 0.0045753100000000 ] - [ -0.0006105700000000, 0.0000000000000000, -0.0129207200000000 ] - [ 0.0004986800000000, 0.0000000000000000, 0.0027570500000000 ] - [ 0.0027088600000000, 0.0000000000000000, -0.0030758900000000 ] - [ -0.0016384900000000, -0.0016710100000000, 0.0045753100000000 ] - [ 0.0021503700000000, 0.0000000000000000, 0.0026548000000000 ] - [ 0.0002941800000000, 0.0110012100000000, -0.0323482800000000 ] - [ 0.0018587700000000, 0.0000000000000000, 0.0032691600000000 ] - [ -0.0020321600000000, -0.0014376200000000, 0.0055784000000000 ] - [ 0.0033942800000000, 0.0000000000000000, -0.0021242300000000 ] - [ 0.0002941800000000, -0.0110012100000000, -0.0323482800000000 ] - [ 0.0010911600000000, -0.0000168100000000, 0.0018360900000000 ] - [ 0.0079238100000000, 0.0000000000000000, 0.0030439400000000 ] - [ 0.0010559600000000, 0.0000000000000000, 0.0037993300000000 ] - [ 0.0004076600000000, 0.0000000000000000, 0.0022529900000000 ] - [ 0.0013506100000000, 0.0000000000000000, -0.0024358400000000 ] - [ -0.0025891300000000, 0.0000000000000000, 0.0001334500000000 ] - [ 0.0078293300000000, 0.0000000000000000, 0.0106583300000000 ] - [ -0.0005920100000000, 0.0000000000000000, 0.0018421300000000 ] - [ 0.0032451200000000, 0.0000000000000000, 0.0018898200000000 ] - [ 0.0070531700000000, 0.0000000000000000, 0.0113820100000000 ] - [ -0.0028119600000000, 0.0000000000000000, -0.0006554800000000 ] - [ -0.0002572500000000, -0.0003191100000000, -0.0016901800000000 ] - [ -0.0001138700000000, 0.0000000000000000, -0.0026612900000000 ] - [ -0.0001700500000000, 0.0003893200000000, -0.0019202200000000 ] - [ -0.0000409400000000, 0.0000000000000000, -0.0024835100000000 ] - [ -0.0004457000000000, 0.0000383400000000, -0.0022993700000000 ] - [ -0.0000934900000000, 0.0000000000000000, -0.0021104500000000 ] - [ -0.0003865400000000, 0.0000000000000000, -0.0027876400000000 ] - [ -0.0001622500000000, 0.0001276100000000, -0.0023289100000000 ] - [ -0.0003710700000000, 0.0000000000000000, -0.0025617100000000 ] - [ -0.0004457000000000, -0.0000383400000000, -0.0022993700000000 ] - [ 0.0000140000000000, 0.0000000000000000, -0.0024045300000000 ] - [ -0.0001622500000000, -0.0001276100000000, -0.0023289100000000 ] - [ -0.0005803500000000, 0.0002584100000000, -0.0029062200000000 ] - [ 0.0000990000000000, 0.0000000000000000, -0.0024087800000000 ] - [ 0.0005404100000000, 0.0000000000000000, -0.0023011800000000 ] - [ -0.0005803500000000, -0.0002584100000000, -0.0029062200000000 ] - [ -0.0003644700000000, -0.0003027900000000, -0.0018362300000000 ] - [ -0.0000628700000000, 0.0000000000000000, -0.0000033600000000 ] - [ -0.0005734900000000, 0.0000000000000000, -0.0018581300000000 ] - [ -0.0003421700000000, 0.0003418700000000, -0.0021773000000000 ] - [ -0.0033977400000000, 0.0019445800000000, 0.0054899200000000 ] - [ 0.0021105600000000, 0.0000000000000000, -0.0078971400000000 ] - [ 0.0011775700000000, 0.0000000000000000, -0.0036014800000000 ] - [ -0.0021230800000000, 0.0009257800000000, -0.0016254900000000 ] - [ 0.0147776000000000, 0.0000000000000000, 0.0418285000000000 ] - [ -0.0007658800000000, -0.0146284800000000, 0.0387022000000000 ] - [ -0.0021230800000000, -0.0009257800000000, -0.0016254900000000 ] - [ -0.0033767300000000, 0.0000000000000000, 0.0102786800000000 ] - [ 0.0032134500000000, 0.0002717000000000, -0.0012826700000000 ] - [ 0.0026698400000000, 0.0000000000000000, 0.0106589300000000 ] - [ 0.0159331600000000, 0.0000000000000000, 0.0393949700000000 ] - [ 0.0010168000000000, 0.0000000000000000, -0.0031140700000000 ] - [ 0.0061720400000000, -0.0022486900000000, 0.0253074500000000 ] - [ 0.0032134500000000, -0.0002717000000000, -0.0012826700000000 ] - [ 0.0023131700000000, 0.0000000000000000, -0.0071626700000000 ] - [ 0.0061720400000000, 0.0022486900000000, 0.0253074500000000 ] - [ 0.0012303900000000, 0.0000000000000000, -0.0017550100000000 ] - [ 0.0000309300000000, 0.0000000000000000, 0.0008946800000000 ] - [ -0.0012003900000000, 0.0003349000000000, -0.0021836300000000 ] - [ 0.0003866800000000, -0.0004032300000000, -0.0007387700000000 ] - [ -0.0001700500000000, -0.0003893200000000, -0.0019202200000000 ] - [ -0.0001535200000000, 0.0000000000000000, -0.0027485600000000 ] - [ -0.0002572500000000, 0.0003191100000000, -0.0016901800000000 ] - [ 0.0002302400000000, 0.0000000000000000, -0.0024346400000000 ] - [ -0.0003553400000000, 0.0000525100000000, -0.0022513800000000 ] - [ -0.0000593800000000, 0.0000000000000000, -0.0020321300000000 ] - [ -0.0000939500000000, 0.0000000000000000, -0.0024970100000000 ] - [ -0.0000587800000000, 0.0001078100000000, -0.0022841400000000 ] - [ -0.0001967100000000, 0.0000000000000000, -0.0024389200000000 ] - [ -0.0003553400000000, -0.0000525100000000, -0.0022513800000000 ] - [ 0.0000454700000000, 0.0000000000000000, -0.0023209300000000 ] - [ -0.0000587800000000, -0.0001078100000000, -0.0022841400000000 ] - [ 0.0004416800000000, 0.0000073200000000, -0.0015427400000000 ] - [ 0.0005285100000000, 0.0000000000000000, -0.0022447300000000 ] - [ 0.0005683400000000, 0.0000000000000000, -0.0022044700000000 ] - [ 0.0004416800000000, -0.0000073200000000, -0.0015427400000000 ] - [ -0.0003421700000000, -0.0003418700000000, -0.0021773000000000 ] - [ -0.0005335300000000, 0.0000000000000000, -0.0034309600000000 ] - [ 0.0003507700000000, 0.0000000000000000, -0.0026307500000000 ] - [ -0.0003644700000000, 0.0003027900000000, -0.0018362300000000 ] - [ -0.0007658800000000, 0.0146284800000000, 0.0387022000000000 ] - [ -0.0003512300000000, 0.0000000000000000, 0.0002047400000000 ] - [ -0.0004312100000000, 0.0000000000000000, -0.0022319500000000 ] - [ 0.0028008200000000, -0.0001706300000000, -0.0020580800000000 ] - [ 0.0053973600000000, 0.0000000000000000, 0.0080785400000000 ] - [ -0.0033977400000000, -0.0019445800000000, 0.0054899200000000 ] - [ 0.0028008200000000, 0.0001706300000000, -0.0020580800000000 ] - [ 0.0049174000000000, 0.0000000000000000, 0.0118238400000000 ] - [ -0.0021189500000000, -0.0007796200000000, -0.0010904800000000 ] - [ -0.0042514100000000, 0.0000000000000000, 0.0108471500000000 ] - [ 0.0056611300000000, 0.0000000000000000, 0.0078199600000000 ] - [ -0.0006905200000000, 0.0000000000000000, -0.0017949200000000 ] - [ -0.0034970000000000, -0.0019424100000000, 0.0056954200000000 ] - [ -0.0021189500000000, 0.0007796200000000, -0.0010904800000000 ] - [ -0.0006665700000000, 0.0000000000000000, 0.0011114100000000 ] - [ -0.0034970000000000, 0.0019424100000000, 0.0056954200000000 ] - [ -0.0003395900000000, 0.0000000000000000, -0.0009154100000000 ] - [ -0.0007664200000000, 0.0000000000000000, -0.0039917400000000 ] - [ 0.0003866800000000, 0.0004032300000000, -0.0007387700000000 ] - [ -0.0012003900000000, -0.0003349000000000, -0.0021836300000000 ]- atom: 12 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0000872900000000, 0.0000000000000000, -0.0029110700000000 ] - [ -0.0001728200000000, 0.0000000000000000, -0.0033066100000000 ] - [ 0.0001095500000000, 0.0000831700000000, -0.0029261200000000 ] - [ -0.0000113900000000, 0.0000000000000000, -0.0033350300000000 ] - [ 0.0000060100000000, -0.0000451100000000, -0.0031407000000000 ] - [ -0.0003473700000000, -0.0000111900000000, -0.0036152600000000 ] - [ -0.0002838900000000, 0.0000000000000000, -0.0032708600000000 ] - [ -0.0003473700000000, 0.0000111900000000, -0.0036152600000000 ] - [ -0.0000087300000000, 0.0000000000000000, -0.0031447000000000 ] - [ -0.0001051300000000, 0.0000000000000000, -0.0030664500000000 ] - [ -0.0009431100000000, -0.0001277200000000, -0.0019073400000000 ] - [ 0.0220862600000000, 0.0000000000000000, 0.1844882100000000 ] - [ 0.0005852700000000, 0.0000000000000000, -0.0036493200000000 ] - [ 0.0240821500000000, 0.0000000000000000, -0.0185933000000000 ] - [ -0.0009431100000000, 0.0001277200000000, -0.0019073400000000 ] - [ 0.0023861900000000, 0.0000000000000000, -0.0023405200000000 ] - [ 0.0002555300000000, -0.0110651600000000, 0.0296346700000000 ] - [ 0.0019464400000000, 0.0000000000000000, -0.0017805500000000 ] - [ -0.0013038200000000, 0.0002176200000000, -0.0008960100000000 ] - [ 0.0233967000000000, 0.0000000000000000, -0.0153902900000000 ] - [ 0.0002555300000000, 0.0110651600000000, 0.0296346700000000 ] - [ 0.0017961500000000, -0.0016401500000000, -0.0046191400000000 ] - [ -0.0021263000000000, 0.0000000000000000, 0.0039899800000000 ] - [ 0.0007746100000000, 0.0000000000000000, -0.0033138400000000 ] - [ 0.0003468100000000, 0.0000000000000000, -0.0035053200000000 ] - [ 0.0001204100000000, 0.0000000000000000, -0.0034065000000000 ] - [ 0.0000060100000000, 0.0000451100000000, -0.0031407000000000 ] - [ -0.0001043700000000, 0.0000000000000000, -0.0033368000000000 ] - [ 0.0001095500000000, -0.0000831700000000, -0.0029261200000000 ] - [ -0.0001890200000000, 0.0000042200000000, -0.0033999700000000 ] - [ -0.0001887800000000, 0.0000000000000000, -0.0032045900000000 ] - [ -0.0001890200000000, -0.0000042200000000, -0.0033999700000000 ] - [ 0.0000635600000000, 0.0000000000000000, -0.0031233700000000 ] - [ 0.0000596700000000, 0.0000000000000000, -0.0040480000000000 ] - [ 0.0018576100000000, -0.0018509100000000, -0.0053281400000000 ] - [ 0.0007005100000000, 0.0000000000000000, 0.0125025000000000 ] - [ 0.0001046100000000, 0.0000000000000000, -0.0029825100000000 ] - [ -0.0026658300000000, 0.0000000000000000, 0.0024452000000000 ] - [ 0.0018576100000000, 0.0018509100000000, -0.0053281400000000 ] - [ -0.0014508000000000, 0.0000000000000000, -0.0029794300000000 ] - [ -0.0002903400000000, -0.0109782300000000, 0.0323139200000000 ] - [ -0.0020954900000000, 0.0000000000000000, -0.0026893500000000 ] - [ 0.0017961500000000, 0.0016401500000000, -0.0046191400000000 ] - [ -0.0029685700000000, 0.0000000000000000, 0.0031930400000000 ] - [ -0.0002903400000000, 0.0109782300000000, 0.0323139200000000 ] - [ -0.0013038200000000, -0.0002176200000000, -0.0008960100000000 ] - [ -0.0076026900000000, 0.0000000000000000, -0.0023347600000000 ] - [ -0.0009845500000000, 0.0000000000000000, -0.0040458700000000 ] - [ -0.0005802300000000, 0.0000000000000000, -0.0026810700000000 ] - [ -0.0012840100000000, 0.0000000000000000, 0.0024866200000000 ] - [ 0.0028609200000000, 0.0000000000000000, 0.0008715000000000 ] - [ -0.0079777200000000, 0.0000000000000000, -0.0112660800000000 ] - [ 0.0004264100000000, 0.0000000000000000, -0.0022654900000000 ] - [ -0.0031452100000000, 0.0000000000000000, -0.0018094100000000 ] - [ -0.0066771600000000, 0.0000000000000000, -0.0102821300000000 ] - [ 0.0027807200000000, 0.0000000000000000, 0.0001590300000000 ] - [ 0.0002415700000000, 0.0003936700000000, 0.0019080500000000 ] - [ -0.0000897600000000, 0.0000000000000000, 0.0021403400000000 ] - [ 0.0001549600000000, -0.0004634000000000, 0.0021365700000000 ] - [ -0.0006455400000000, 0.0000000000000000, 0.0014610600000000 ] - [ 0.0001847900000000, -0.0002647600000000, 0.0016316000000000 ] - [ -0.0002949100000000, 0.0000000000000000, 0.0021317400000000 ] - [ -0.0000537600000000, 0.0000000000000000, 0.0026573600000000 ] - [ -0.0000076700000000, -0.0001114300000000, 0.0020006900000000 ] - [ -0.0005294200000000, 0.0000000000000000, 0.0018173400000000 ] - [ 0.0001847900000000, 0.0002647600000000, 0.0016316000000000 ] - [ -0.0001797900000000, 0.0000000000000000, 0.0019496200000000 ] - [ -0.0000076700000000, 0.0001114300000000, 0.0020006900000000 ] - [ 0.0005354100000000, -0.0001793400000000, 0.0027959200000000 ] - [ 0.0002977100000000, 0.0000000000000000, 0.0022438200000000 ] - [ 0.0000373300000000, 0.0000000000000000, 0.0025199400000000 ] - [ 0.0005354100000000, 0.0001793400000000, 0.0027959200000000 ] - [ 0.0002598500000000, 0.0000045300000000, 0.0018783900000000 ] - [ -0.0000403000000000, 0.0000000000000000, 0.0001194500000000 ] - [ 0.0002119300000000, 0.0000000000000000, 0.0011691100000000 ] - [ 0.0002370500000000, -0.0000437600000000, 0.0022218400000000 ] - [ 0.0033504700000000, -0.0020195900000000, -0.0051963700000000 ] - [ -0.0018832900000000, 0.0000000000000000, 0.0074745500000000 ] - [ -0.0008504600000000, 0.0000000000000000, 0.0031723900000000 ] - [ 0.0019577300000000, -0.0009889600000000, 0.0006006700000000 ] - [ -0.0128823300000000, 0.0000000000000000, -0.0405017000000000 ] - [ 0.0012691200000000, 0.0154749100000000, -0.0389375900000000 ] - [ 0.0019577300000000, 0.0009889600000000, 0.0006006700000000 ] - [ 0.0029913200000000, 0.0000000000000000, -0.0106974200000000 ] - [ -0.0031615800000000, 0.0000650600000000, 0.0017080800000000 ] - [ -0.0018518900000000, 0.0000000000000000, -0.0103685500000000 ] - [ -0.0173091000000000, 0.0000000000000000, -0.0403870800000000 ] - [ -0.0010926700000000, 0.0000000000000000, 0.0038500300000000 ] - [ -0.0064729900000000, 0.0021414900000000, -0.0239237800000000 ] - [ -0.0031615800000000, -0.0000650600000000, 0.0017080800000000 ] - [ -0.0021422200000000, 0.0000000000000000, 0.0082098500000000 ] - [ -0.0064729900000000, -0.0021414900000000, -0.0239237800000000 ] - [ -0.0011135300000000, 0.0000000000000000, 0.0024348700000000 ] - [ 0.0003729000000000, 0.0000000000000000, -0.0008017100000000 ] - [ 0.0010552900000000, -0.0000933100000000, 0.0031446600000000 ] - [ -0.0005236400000000, 0.0001556500000000, 0.0017083000000000 ] - [ 0.0001549600000000, 0.0004634000000000, 0.0021365700000000 ] - [ -0.0000502600000000, 0.0000000000000000, 0.0022269600000000 ] - [ 0.0002415700000000, -0.0003936700000000, 0.0019080500000000 ] - [ -0.0009148100000000, 0.0000000000000000, 0.0014122400000000 ] - [ 0.0000942000000000, -0.0002790400000000, 0.0015834100000000 ] - [ -0.0003292100000000, 0.0000000000000000, 0.0020539200000000 ] - [ -0.0003447800000000, 0.0000000000000000, 0.0023689400000000 ] - [ -0.0001105700000000, -0.0000918000000000, 0.0019558800000000 ] - [ -0.0007047900000000, 0.0000000000000000, 0.0016935500000000 ] - [ 0.0000942000000000, 0.0002790400000000, 0.0015834100000000 ] - [ -0.0002109100000000, 0.0000000000000000, 0.0018652100000000 ] - [ -0.0001105700000000, 0.0000918000000000, 0.0019558800000000 ] - [ -0.0004917500000000, 0.0000777200000000, 0.0014223800000000 ] - [ -0.0001351900000000, 0.0000000000000000, 0.0020788600000000 ] - [ 0.0000093500000000, 0.0000000000000000, 0.0024224300000000 ] - [ -0.0004917500000000, -0.0000777200000000, 0.0014223800000000 ] - [ 0.0002370500000000, 0.0000437600000000, 0.0022218400000000 ] - [ 0.0004209100000000, 0.0000000000000000, 0.0035469900000000 ] - [ -0.0007197700000000, 0.0000000000000000, 0.0019429000000000 ] - [ 0.0002598500000000, -0.0000045300000000, 0.0018783900000000 ] - [ 0.0012691200000000, -0.0154749100000000, -0.0389375900000000 ] - [ 0.0006220000000000, 0.0000000000000000, -0.0007019500000000 ] - [ 0.0007758000000000, 0.0000000000000000, 0.0017901100000000 ] - [ -0.0029925700000000, 0.0001201100000000, 0.0010185400000000 ] - [ -0.0051881800000000, 0.0000000000000000, -0.0077710200000000 ] - [ 0.0033504700000000, 0.0020195900000000, -0.0051963700000000 ] - [ -0.0029925700000000, -0.0001201100000000, 0.0010185400000000 ] - [ -0.0053096500000000, 0.0000000000000000, -0.0122153900000000 ] - [ 0.0021484700000000, 0.0011048000000000, 0.0015040800000000 ] - [ 0.0050646600000000, 0.0000000000000000, -0.0105367900000000 ] - [ -0.0055118000000000, 0.0000000000000000, -0.0080872600000000 ] - [ 0.0005989100000000, 0.0000000000000000, 0.0025433700000000 ] - [ 0.0034936600000000, 0.0023262900000000, -0.0047782500000000 ] - [ 0.0021484700000000, -0.0011048000000000, 0.0015040800000000 ] - [ 0.0007958900000000, 0.0000000000000000, 0.0000072300000000 ] - [ 0.0034936600000000, -0.0023262900000000, -0.0047782500000000 ] - [ 0.0004489600000000, 0.0000000000000000, 0.0015962200000000 ] - [ 0.0011844200000000, 0.0000000000000000, 0.0040977100000000 ] - [ -0.0005236400000000, -0.0001556500000000, 0.0017083000000000 ] - [ 0.0010552900000000, 0.0000933100000000, 0.0031446600000000 ]- atom: 13 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0002451700000000, 0.0000000000000000, 0.0005337800000000 ] - [ -0.0013303100000000, 0.0000000000000000, 0.0008024900000000 ] - [ -0.0009367000000000, 0.0001580400000000, -0.0008302700000000 ] - [ -0.0125044200000000, 0.0000000000000000, 0.0001964300000000 ] - [ 0.0013115900000000, -0.0001653100000000, 0.0004579900000000 ] - [ 0.0139623200000000, 0.0074369000000000, 0.0141459300000000 ] - [ 0.0041128700000000, 0.0000000000000000, 0.0039585400000000 ] - [ 0.0139623200000000, -0.0074369000000000, 0.0141459300000000 ] - [ -0.0021948200000000, 0.0000000000000000, 0.0042259800000000 ] - [ 0.0262569800000000, 0.0000000000000000, 0.0110853400000000 ] - [ 0.0056469400000000, 0.0002619200000000, 0.0021794100000000 ] - [ 0.0001449000000000, 0.0000000000000000, -0.0005093100000000 ] - [ -0.2575579000000000, 0.0000000000000000, -0.0164922600000000 ] - [ -0.0009359800000000, 0.0000000000000000, -0.0006305600000000 ] - [ 0.0056469400000000, -0.0002619200000000, 0.0021794100000000 ] - [ -0.0044855400000000, 0.0000000000000000, 0.0108704500000000 ] - [ 0.0003885600000000, 0.0000141300000000, -0.0001031900000000 ] - [ -0.0001152100000000, 0.0000000000000000, 0.0001515300000000 ] - [ -0.0002164700000000, 0.0001206300000000, 0.0004366200000000 ] - [ 0.0002959000000000, 0.0000000000000000, 0.0004220800000000 ] - [ 0.0003885600000000, -0.0000141300000000, -0.0001031900000000 ] - [ 0.0000008000000000, -0.0001194600000000, 0.0003628900000000 ] - [ 0.0001799600000000, 0.0000000000000000, 0.0003684900000000 ] - [ 0.0000089700000000, 0.0000000000000000, -0.0004898600000000 ] - [ 0.0004470700000000, 0.0000000000000000, -0.0001211100000000 ] - [ 0.0011161000000000, 0.0000000000000000, -0.0014062100000000 ] - [ 0.0013115900000000, 0.0001653100000000, 0.0004579900000000 ] - [ 0.0060636200000000, 0.0000000000000000, -0.0006808000000000 ] - [ -0.0009367000000000, -0.0001580400000000, -0.0008302700000000 ] - [ 0.0129347400000000, 0.0147644100000000, -0.0179110400000000 ] - [ -0.0009340800000000, 0.0000000000000000, -0.0033609700000000 ] - [ 0.0129347400000000, -0.0147644100000000, -0.0179110400000000 ] - [ 0.0015836500000000, 0.0000000000000000, -0.0042104300000000 ] - [ 0.0075092200000000, 0.0000000000000000, -0.0126692100000000 ] - [ -0.0051940100000000, -0.0016051400000000, -0.0065592800000000 ] - [ -0.0000435900000000, 0.0000000000000000, 0.0000034500000000 ] - [ 0.0125419900000000, 0.0000000000000000, 0.0001498700000000 ] - [ 0.0016115500000000, 0.0000000000000000, -0.0001470700000000 ] - [ -0.0051940100000000, 0.0016051400000000, -0.0065592800000000 ] - [ 0.0064763700000000, 0.0000000000000000, -0.0045751600000000 ] - [ -0.0002530700000000, 0.0000260100000000, -0.0000598500000000 ] - [ -0.0001269600000000, 0.0000000000000000, 0.0002965800000000 ] - [ 0.0000008000000000, 0.0001194600000000, 0.0003628900000000 ] - [ 0.0001258500000000, 0.0000000000000000, 0.0004977000000000 ] - [ -0.0002530700000000, -0.0000260100000000, -0.0000598500000000 ] - [ -0.0002164700000000, -0.0001206300000000, 0.0004366200000000 ] - [ 0.0002045000000000, 0.0000000000000000, 0.0002352500000000 ] - [ 0.0000472000000000, 0.0000000000000000, 0.0000685400000000 ] - [ 0.0179529600000000, 0.0000000000000000, -0.0082262900000000 ] - [ 0.0000229400000000, 0.0000000000000000, 0.0007963900000000 ] - [ 0.0001398600000000, 0.0000000000000000, 0.0004550300000000 ] - [ 0.0009736000000000, 0.0000000000000000, -0.0015239300000000 ] - [ -0.0034548500000000, 0.0000000000000000, 0.0066204400000000 ] - [ 0.0000378500000000, 0.0000000000000000, -0.0009203900000000 ] - [ 0.0001226400000000, 0.0000000000000000, 0.0004520800000000 ] - [ -0.0014837100000000, 0.0000000000000000, 0.0007434900000000 ] - [ 0.0005136200000000, -0.0000059500000000, 0.0001063500000000 ] - [ 0.0017651300000000, 0.0000000000000000, 0.0000379000000000 ] - [ -0.0004709700000000, -0.0000566600000000, 0.0002499000000000 ] - [ -0.0005602700000000, 0.0000000000000000, -0.0008985900000000 ] - [ -0.0044262100000000, -0.0012380700000000, -0.0028026000000000 ] - [ -0.0022795700000000, 0.0000000000000000, 0.0003508000000000 ] - [ -0.0005569600000000, 0.0000000000000000, -0.0005521700000000 ] - [ -0.0005696800000000, 0.0001004600000000, -0.0021649800000000 ] - [ -0.0109575600000000, 0.0000000000000000, -0.0043386200000000 ] - [ -0.0044262100000000, 0.0012380700000000, -0.0028026000000000 ] - [ -0.0003066400000000, 0.0000000000000000, -0.0078842100000000 ] - [ -0.0005696800000000, -0.0001004600000000, -0.0021649800000000 ] - [ -0.0028777900000000, 0.0018276500000000, 0.0069268200000000 ] - [ -0.0093723200000000, 0.0000000000000000, -0.0005794600000000 ] - [ -0.0002909100000000, 0.0000000000000000, -0.0072825900000000 ] - [ -0.0028777900000000, -0.0018276500000000, 0.0069268200000000 ] - [ -0.0113681300000000, 0.0047649600000000, -0.0011123900000000 ] - [ -0.0012897700000000, 0.0000000000000000, -0.0026467800000000 ] - [ -0.0055720900000000, 0.0000000000000000, -0.0011761600000000 ] - [ 0.0515145800000000, 0.0589754900000000, 0.0187002100000000 ] - [ -0.0003478100000000, -0.0000432300000000, -0.0001455300000000 ] - [ 0.0024400200000000, 0.0000000000000000, -0.0000624600000000 ] - [ 0.0244161500000000, 0.0000000000000000, 0.0027025000000000 ] - [ -0.0023273500000000, -0.0001073100000000, 0.0001868300000000 ] - [ 0.0002165100000000, 0.0000000000000000, 0.0002837600000000 ] - [ 0.0002198900000000, -0.0000243100000000, 0.0005176100000000 ] - [ -0.0023273500000000, 0.0001073100000000, 0.0001868300000000 ] - [ -0.0005295600000000, 0.0000000000000000, 0.0000859700000000 ] - [ -0.0000069900000000, 0.0001622200000000, 0.0002759000000000 ] - [ 0.0003065900000000, 0.0000000000000000, 0.0001562600000000 ] - [ -0.0001220300000000, 0.0000000000000000, 0.0000510500000000 ] - [ -0.0001042000000000, 0.0000000000000000, 0.0005165300000000 ] - [ -0.0000502900000000, 0.0001856900000000, 0.0005736900000000 ] - [ -0.0000069900000000, -0.0001622200000000, 0.0002759000000000 ] - [ 0.0000252000000000, 0.0000000000000000, 0.0006191700000000 ] - [ -0.0000502900000000, -0.0001856900000000, 0.0005736900000000 ] - [ -0.0000278500000000, 0.0000000000000000, 0.0004553100000000 ] - [ 0.0002322700000000, 0.0000000000000000, 0.0000954200000000 ] - [ -0.0001350600000000, 0.0001310400000000, 0.0004505300000000 ] - [ 0.0000041500000000, -0.0000963800000000, 0.0005979500000000 ] - [ -0.0004709700000000, 0.0000566600000000, 0.0002499000000000 ] - [ -0.0015706900000000, 0.0000000000000000, -0.0005427300000000 ] - [ 0.0005136200000000, 0.0000059500000000, 0.0001063500000000 ] - [ -0.0001388200000000, 0.0000000000000000, -0.0001520500000000 ] - [ 0.0050045200000000, -0.0017510800000000, 0.0053129300000000 ] - [ 0.0018851000000000, 0.0000000000000000, 0.0006490300000000 ] - [ 0.0000458000000000, 0.0000000000000000, 0.0005517900000000 ] - [ -0.0000392800000000, -0.0003336000000000, 0.0015907300000000 ] - [ -0.0002380800000000, 0.0000000000000000, 0.0030262600000000 ] - [ 0.0050045200000000, 0.0017510800000000, 0.0053129300000000 ] - [ -0.0029746500000000, 0.0000000000000000, 0.0027363300000000 ] - [ -0.0000392800000000, 0.0003336000000000, 0.0015907300000000 ] - [ -0.0036343000000000, 0.0022714700000000, -0.0075918500000000 ] - [ 0.0834365000000000, 0.0000000000000000, -0.0171469700000000 ] - [ -0.0046669200000000, 0.0000000000000000, 0.0097291600000000 ] - [ -0.0036343000000000, -0.0022714700000000, -0.0075918500000000 ] - [ 0.0515145800000000, -0.0589754900000000, 0.0187002100000000 ] - [ 0.0010576300000000, 0.0000000000000000, 0.0030918500000000 ] - [ 0.0069727500000000, 0.0000000000000000, 0.0050364800000000 ] - [ -0.0113681300000000, -0.0047649600000000, -0.0011123900000000 ] - [ 0.0002198900000000, 0.0000243100000000, 0.0005176100000000 ] - [ -0.0014977000000000, 0.0000000000000000, -0.0023452500000000 ] - [ -0.0049848600000000, 0.0000000000000000, -0.0010916400000000 ] - [ 0.0019163300000000, -0.0000339600000000, -0.0003027600000000 ] - [ -0.0000074300000000, 0.0000000000000000, 0.0001361100000000 ] - [ -0.0003478100000000, 0.0000432300000000, -0.0001455300000000 ] - [ 0.0019163300000000, 0.0000339600000000, -0.0003027600000000 ] - [ 0.0001442500000000, 0.0000000000000000, -0.0002789200000000 ] - [ 0.0000474700000000, 0.0001644400000000, 0.0002327000000000 ] - [ 0.0005017500000000, 0.0000000000000000, 0.0002232200000000 ] - [ 0.0003113100000000, 0.0000000000000000, -0.0002349500000000 ] - [ 0.0000238100000000, 0.0000000000000000, 0.0003530400000000 ] - [ 0.0000424200000000, 0.0001864200000000, 0.0004491700000000 ] - [ 0.0000474700000000, -0.0001644400000000, 0.0002327000000000 ] - [ 0.0001062600000000, 0.0000000000000000, 0.0005934600000000 ] - [ 0.0000424200000000, -0.0001864200000000, 0.0004491700000000 ] - [ 0.0001193400000000, 0.0000000000000000, 0.0003171400000000 ] - [ 0.0001708400000000, 0.0000000000000000, 0.0001038200000000 ] - [ 0.0000041500000000, 0.0000963800000000, 0.0005979500000000 ] - [ -0.0001350600000000, -0.0001310400000000, 0.0004505300000000 ]- atom: 13 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0005353700000000, 0.0000000000000000, 0.0000548500000000 ] - [ 0.0012075700000000, 0.0000000000000000, -0.0015803200000000 ] - [ 0.0010957900000000, -0.0000801800000000, 0.0007598200000000 ] - [ 0.0122761500000000, 0.0000000000000000, -0.0008183100000000 ] - [ -0.0011497200000000, 0.0000874700000000, -0.0005338900000000 ] - [ -0.0139357900000000, -0.0075758200000000, -0.0142171700000000 ] - [ -0.0043024200000000, 0.0000000000000000, -0.0038190500000000 ] - [ -0.0139357900000000, 0.0075758200000000, -0.0142171700000000 ] - [ 0.0020060800000000, 0.0000000000000000, -0.0040966900000000 ] - [ -0.0261191300000000, 0.0000000000000000, -0.0111634700000000 ] - [ -0.0054352800000000, -0.0004060000000000, -0.0028935600000000 ] - [ -0.0000477800000000, 0.0000000000000000, 0.0000880200000000 ] - [ 0.2529892700000000, 0.0000000000000000, 0.0201062000000000 ] - [ 0.0009975000000000, 0.0000000000000000, -0.0000468100000000 ] - [ -0.0054352800000000, 0.0004060000000000, -0.0028935600000000 ] - [ 0.0050794400000000, 0.0000000000000000, -0.0111560000000000 ] - [ -0.0002697300000000, 0.0000710900000000, 0.0001116600000000 ] - [ -0.0001269700000000, 0.0000000000000000, 0.0004364200000000 ] - [ -0.0000012900000000, 0.0001145500000000, 0.0005119300000000 ] - [ 0.0001185600000000, 0.0000000000000000, 0.0006692200000000 ] - [ -0.0002697300000000, -0.0000710900000000, 0.0001116600000000 ] - [ -0.0002183000000000, -0.0001157200000000, 0.0005855500000000 ] - [ 0.0002125200000000, 0.0000000000000000, 0.0003907400000000 ] - [ 0.0000549400000000, 0.0000000000000000, 0.0002400100000000 ] - [ -0.0001590400000000, 0.0000000000000000, 0.0007092200000000 ] - [ -0.0012442700000000, 0.0000000000000000, 0.0006276400000000 ] - [ -0.0011497200000000, -0.0000874700000000, -0.0005338900000000 ] - [ -0.0062994300000000, 0.0000000000000000, -0.0000397000000000 ] - [ 0.0010957900000000, 0.0000801800000000, 0.0007598200000000 ] - [ -0.0129138200000000, -0.0147367500000000, 0.0178434800000000 ] - [ 0.0007251200000000, 0.0000000000000000, 0.0035278400000000 ] - [ -0.0129138200000000, 0.0147367500000000, 0.0178434800000000 ] - [ -0.0017879400000000, 0.0000000000000000, 0.0043231900000000 ] - [ -0.0073752600000000, 0.0000000000000000, 0.0125331500000000 ] - [ 0.0054865000000000, 0.0014995700000000, 0.0057640600000000 ] - [ 0.0001319800000000, 0.0000000000000000, -0.0004199100000000 ] - [ -0.0119278400000000, 0.0000000000000000, -0.0003754000000000 ] - [ -0.0015524000000000, 0.0000000000000000, -0.0004994200000000 ] - [ 0.0054865000000000, -0.0014995700000000, 0.0057640600000000 ] - [ -0.0057685500000000, 0.0000000000000000, 0.0042758400000000 ] - [ 0.0003689400000000, 0.0000578900000000, 0.0000624300000000 ] - [ -0.0001146700000000, 0.0000000000000000, 0.0002908100000000 ] - [ -0.0002183000000000, 0.0001157200000000, 0.0005855500000000 ] - [ 0.0002874400000000, 0.0000000000000000, 0.0005927300000000 ] - [ 0.0003689400000000, -0.0000578900000000, 0.0000624300000000 ] - [ -0.0000012900000000, -0.0001145500000000, 0.0005119300000000 ] - [ 0.0001909200000000, 0.0000000000000000, 0.0005232600000000 ] - [ 0.0000173500000000, 0.0000000000000000, -0.0003189400000000 ] - [ -0.0182989800000000, 0.0000000000000000, 0.0079161600000000 ] - [ 0.0000280400000000, 0.0000000000000000, -0.0007564800000000 ] - [ 0.0001236800000000, 0.0000000000000000, 0.0005697100000000 ] - [ -0.0009840500000000, 0.0000000000000000, 0.0010091000000000 ] - [ 0.0032043300000000, 0.0000000000000000, -0.0070268800000000 ] - [ 0.0000256700000000, 0.0000000000000000, 0.0009534700000000 ] - [ 0.0001413000000000, 0.0000000000000000, 0.0005715800000000 ] - [ 0.0014439100000000, 0.0000000000000000, -0.0012635400000000 ] - [ -0.0005295600000000, 0.0000808100000000, 0.0001076400000000 ] - [ -0.0019705700000000, 0.0000000000000000, -0.0005624500000000 ] - [ 0.0004571000000000, -0.0000184600000000, -0.0000343200000000 ] - [ -0.0001268900000000, 0.0000000000000000, -0.0001248400000000 ] - [ 0.0041665100000000, 0.0010261900000000, 0.0021564200000000 ] - [ 0.0018929000000000, 0.0000000000000000, -0.0003287700000000 ] - [ 0.0001167000000000, 0.0000000000000000, 0.0004203100000000 ] - [ 0.0003957600000000, -0.0000822500000000, 0.0018348200000000 ] - [ 0.0101214700000000, 0.0000000000000000, 0.0036811300000000 ] - [ 0.0041665100000000, -0.0010261900000000, 0.0021564200000000 ] - [ 0.0000965200000000, 0.0000000000000000, 0.0074459200000000 ] - [ 0.0003957600000000, 0.0000822500000000, 0.0018348200000000 ] - [ 0.0028005300000000, -0.0017750900000000, -0.0070675200000000 ] - [ 0.0096999800000000, 0.0000000000000000, 0.0004257300000000 ] - [ 0.0008482500000000, 0.0000000000000000, 0.0074639400000000 ] - [ 0.0028005300000000, 0.0017750900000000, -0.0070675200000000 ] - [ 0.0112764600000000, -0.0050688000000000, 0.0011710200000000 ] - [ 0.0011928700000000, 0.0000000000000000, 0.0027528000000000 ] - [ 0.0052085400000000, 0.0000000000000000, 0.0004789100000000 ] - [ -0.0522871800000000, -0.0608742100000000, -0.0193291900000000 ] - [ 0.0003077700000000, -0.0000421700000000, 0.0004440200000000 ] - [ -0.0022022600000000, 0.0000000000000000, -0.0004021500000000 ] - [ -0.0241055500000000, 0.0000000000000000, -0.0034144600000000 ] - [ 0.0021437200000000, 0.0000462300000000, -0.0012129400000000 ] - [ 0.0000017100000000, 0.0000000000000000, 0.0000284500000000 ] - [ -0.0002630700000000, 0.0001106400000000, -0.0002100500000000 ] - [ 0.0021437200000000, -0.0000462300000000, -0.0012129400000000 ] - [ 0.0001373900000000, 0.0000000000000000, -0.0004845300000000 ] - [ 0.0000476700000000, 0.0001637900000000, 0.0001282300000000 ] - [ 0.0005070700000000, 0.0000000000000000, 0.0001349700000000 ] - [ 0.0002465400000000, 0.0000000000000000, -0.0003225600000000 ] - [ 0.0000156800000000, 0.0000000000000000, 0.0002272400000000 ] - [ 0.0000373200000000, 0.0001869400000000, 0.0003377800000000 ] - [ 0.0000476700000000, -0.0001637900000000, 0.0001282300000000 ] - [ 0.0001075200000000, 0.0000000000000000, 0.0004892500000000 ] - [ 0.0000373200000000, -0.0001869400000000, 0.0003377800000000 ] - [ 0.0001421400000000, 0.0000000000000000, 0.0002195800000000 ] - [ 0.0001712800000000, 0.0000000000000000, -0.0000150900000000 ] - [ -0.0000039800000000, 0.0001175600000000, 0.0005124100000000 ] - [ -0.0001429400000000, -0.0001522300000000, 0.0003646700000000 ] - [ 0.0004571000000000, 0.0000184600000000, -0.0000343200000000 ] - [ 0.0013694100000000, 0.0000000000000000, 0.0000263400000000 ] - [ -0.0005295600000000, -0.0000808100000000, 0.0001076400000000 ] - [ -0.0005467100000000, 0.0000000000000000, -0.0008726700000000 ] - [ -0.0052365000000000, 0.0015322900000000, -0.0059785400000000 ] - [ -0.0022725000000000, 0.0000000000000000, -0.0006343600000000 ] - [ -0.0004846000000000, 0.0000000000000000, -0.0006846700000000 ] - [ -0.0001261500000000, 0.0003500100000000, -0.0019234600000000 ] - [ -0.0006451100000000, 0.0000000000000000, -0.0037538600000000 ] - [ -0.0052365000000000, -0.0015322900000000, -0.0059785400000000 ] - [ 0.0028185800000000, 0.0000000000000000, -0.0031830200000000 ] - [ -0.0001261500000000, -0.0003500100000000, -0.0019234600000000 ] - [ 0.0035798300000000, -0.0021723500000000, 0.0074281100000000 ] - [ -0.0768301900000000, 0.0000000000000000, 0.0149421800000000 ] - [ 0.0052522300000000, 0.0000000000000000, -0.0095155500000000 ] - [ 0.0035798300000000, 0.0021723500000000, 0.0074281100000000 ] - [ -0.0522871800000000, 0.0608742100000000, -0.0193291900000000 ] - [ -0.0011864500000000, 0.0000000000000000, -0.0029726600000000 ] - [ -0.0073575500000000, 0.0000000000000000, -0.0056870500000000 ] - [ 0.0112764600000000, 0.0050688000000000, 0.0011710200000000 ] - [ -0.0002630700000000, -0.0001106400000000, -0.0002100500000000 ] - [ 0.0017653700000000, 0.0000000000000000, 0.0018433500000000 ] - [ 0.0053203500000000, 0.0000000000000000, 0.0006489900000000 ] - [ -0.0020732600000000, -0.0000423100000000, -0.0006770600000000 ] - [ 0.0002260100000000, 0.0000000000000000, 0.0001730400000000 ] - [ 0.0003077700000000, 0.0000421700000000, 0.0004440200000000 ] - [ -0.0020732600000000, 0.0000423100000000, -0.0006770600000000 ] - [ -0.0005295800000000, 0.0000000000000000, -0.0001118200000000 ] - [ -0.0000064000000000, 0.0001616700000000, 0.0001720000000000 ] - [ 0.0003123000000000, 0.0000000000000000, 0.0000703400000000 ] - [ -0.0001792900000000, 0.0000000000000000, -0.0000326800000000 ] - [ -0.0001126000000000, 0.0000000000000000, 0.0003905900000000 ] - [ -0.0000525800000000, 0.0001862500000000, 0.0004630000000000 ] - [ -0.0000064000000000, -0.0001616700000000, 0.0001720000000000 ] - [ 0.0000268300000000, 0.0000000000000000, 0.0005148200000000 ] - [ -0.0000525800000000, -0.0001862500000000, 0.0004630000000000 ] - [ -0.0000052100000000, 0.0000000000000000, 0.0003578500000000 ] - [ 0.0002322800000000, 0.0000000000000000, -0.0000235000000000 ] - [ -0.0001429400000000, 0.0001522300000000, 0.0003646700000000 ] - [ -0.0000039800000000, -0.0001175600000000, 0.0005124100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001440900000000, -0.0000311600000000, 0.0002963200000000 ] - [ -0.0000641600000000, 0.0001226300000000, -0.0003866700000000 ] - [ 0.0002376700000000, 0.0000344700000000, 0.0001763600000000 ] - [ -0.0001239700000000, -0.0058062000000000, -0.0003217300000000 ] - [ 0.0000001900000000, -0.0000428200000000, -0.0000824800000000 ] - [ 0.0161565400000000, 0.0012577500000000, 0.0124620600000000 ] - [ -0.0000962800000000, 0.0003312500000000, 0.0000863000000000 ] - [ -0.0162008300000000, 0.0012913500000000, -0.0124221500000000 ] - [ -0.0001012200000000, -0.0002222400000000, 0.0000639400000000 ] - [ -0.0000396300000000, -0.0005969800000000, -0.0000456700000000 ] - [ 0.0005716600000000, -0.0000083400000000, -0.0000001100000000 ] - [ 0.0000467300000000, 0.0000351700000000, -0.0002095800000000 ] - [ 0.0047218400000000, -0.2718994700000000, 0.0018088700000000 ] - [ 0.0000247200000000, 0.0004587300000000, -0.0003331000000000 ] - [ -0.0003703700000000, 0.0001348900000000, -0.0007385200000000 ] - [ 0.0003199600000000, -0.0013990900000000, -0.0001933400000000 ] - [ 0.0000447400000000, 0.0000427800000000, -0.0000168800000000 ] - [ -0.0001209700000000, 0.0000028400000000, 0.0002946200000000 ] - [ -0.0001072900000000, 0.0001176200000000, 0.0004773500000000 ] - [ 0.0002069500000000, 0.0000041800000000, 0.0005463200000000 ] - [ 0.0000724500000000, -0.0000426100000000, 0.0000241100000000 ] - [ -0.0001108400000000, -0.0001174300000000, 0.0004719400000000 ] - [ 0.0001969900000000, -0.0000053700000000, 0.0003800500000000 ] - [ 0.0000321300000000, -0.0000051700000000, -0.0001244300000000 ] - [ 0.0001450700000000, -0.0000582600000000, 0.0002955500000000 ] - [ -0.0000611400000000, 0.0002797800000000, -0.0003895200000000 ] - [ 0.0001623200000000, 0.0000343600000000, 0.0000134300000000 ] - [ -0.0001027800000000, -0.0001039500000000, -0.0003544000000000 ] - [ -0.0000798400000000, -0.0000437300000000, -0.0002491800000000 ] - [ 0.0067683400000000, 0.0001757500000000, -0.0010801500000000 ] - [ -0.0001024000000000, 0.0030638400000000, 0.0000690400000000 ] - [ -0.0067629300000000, 0.0003238800000000, 0.0010600900000000 ] - [ -0.0000946000000000, -0.0005835900000000, 0.0000622100000000 ] - [ -0.0001644700000000, 0.0430048200000000, -0.0000706800000000 ] - [ -0.0014322300000000, 0.0004988600000000, -0.0075141100000000 ] - [ 0.0000461800000000, 0.0000247200000000, -0.0002089200000000 ] - [ 0.0003260800000000, -0.0008410900000000, -0.0001180500000000 ] - [ 0.0000276600000000, 0.0003090200000000, -0.0003284000000000 ] - [ 0.0016087200000000, 0.0005095100000000, 0.0068157800000000 ] - [ 0.0003480000000000, 0.0035666100000000, -0.0001669900000000 ] - [ 0.0000381200000000, 0.0000429600000000, -0.0000349600000000 ] - [ -0.0001210200000000, 0.0000036100000000, 0.0002947700000000 ] - [ -0.0001066200000000, 0.0001178000000000, 0.0004782500000000 ] - [ 0.0002068300000000, 0.0000054900000000, 0.0005462900000000 ] - [ 0.0000783300000000, -0.0000419200000000, 0.0000413500000000 ] - [ -0.0001106400000000, -0.0001174500000000, 0.0004729500000000 ] - [ 0.0001971700000000, -0.0000063000000000, 0.0003800400000000 ] - [ 0.0000321500000000, -0.0000053500000000, -0.0001235700000000 ] - [ -0.0000580700000000, -0.0058519900000000, -0.0002236000000000 ] - [ 0.0000286100000000, 0.0000157200000000, 0.0000176500000000 ] - [ 0.0001319200000000, -0.0000040900000000, 0.0005123500000000 ] - [ -0.0000085000000000, -0.0004367400000000, -0.0002605700000000 ] - [ 0.0000073400000000, 0.0147655000000000, -0.0001526800000000 ] - [ 0.0000296600000000, -0.0000321300000000, 0.0000193600000000 ] - [ 0.0001319100000000, -0.0000042400000000, 0.0005124800000000 ] - [ -0.0000089000000000, -0.0002001200000000, -0.0002558000000000 ] - [ -0.0000051200000000, 0.0000440400000000, 0.0001472900000000 ] - [ -0.0000992600000000, 0.0003123800000000, -0.0002596000000000 ] - [ 0.0000455000000000, -0.0000233500000000, 0.0000531500000000 ] - [ -0.0003430500000000, 0.0000341800000000, -0.0005122200000000 ] - [ -0.0001036800000000, -0.0000785700000000, -0.0002676200000000 ] - [ -0.0001950800000000, 0.0000071800000000, 0.0000079600000000 ] - [ -0.0002199800000000, -0.0000329100000000, -0.0000667100000000 ] - [ 0.0000276100000000, -0.0000321200000000, 0.0001162300000000 ] - [ -0.0004372100000000, 0.0103121000000000, -0.0003710200000000 ] - [ -0.0001645600000000, 0.0001491600000000, -0.0004078100000000 ] - [ -0.0000848600000000, 0.0044043200000000, -0.0002300500000000 ] - [ -0.0001976600000000, -0.0000487900000000, -0.0004516200000000 ] - [ 0.0031169300000000, -0.0018543500000000, -0.0060064100000000 ] - [ 0.0001359100000000, -0.0075972000000000, -0.0000751700000000 ] - [ 0.0002933800000000, -0.0053250900000000, 0.0000914500000000 ] - [ -0.0031408800000000, -0.0019594600000000, 0.0058866000000000 ] - [ -0.0011945600000000, 0.0003936500000000, -0.0005465700000000 ] - [ -0.0000518700000000, 0.0004933200000000, 0.0000614600000000 ] - [ -0.0001842700000000, 0.0006343200000000, -0.0003417100000000 ] - [ 0.0503834800000000, 0.0978868600000000, 0.0236221700000000 ] - [ 0.0000195100000000, -0.0000524800000000, 0.0001072700000000 ] - [ 0.0001235600000000, 0.0001743100000000, -0.0002262700000000 ] - [ 0.0001549300000000, 0.0205491700000000, -0.0003580000000000 ] - [ 0.0004081800000000, -0.0001426500000000, -0.0010733800000000 ] - [ 0.0001092400000000, -0.0000090900000000, 0.0001547600000000 ] - [ -0.0000515600000000, 0.0000257700000000, 0.0002178000000000 ] - [ -0.0005848800000000, -0.0000823500000000, 0.0000567800000000 ] - [ -0.0001941600000000, -0.0000435000000000, -0.0001989600000000 ] - [ 0.0000204900000000, 0.0001625700000000, 0.0002012900000000 ] - [ 0.0004068500000000, 0.0000021300000000, 0.0001457200000000 ] - [ 0.0000633800000000, 0.0000167600000000, -0.0001348500000000 ] - [ -0.0000443600000000, 0.0000044100000000, 0.0003718000000000 ] - [ -0.0000023700000000, 0.0001856200000000, 0.0004479800000000 ] - [ 0.0000202600000000, -0.0001634200000000, 0.0002016900000000 ] - [ 0.0000663900000000, -0.0000002500000000, 0.0005534500000000 ] - [ -0.0000093500000000, -0.0001867800000000, 0.0004627800000000 ] - [ 0.0000572400000000, -0.0000020200000000, 0.0003378200000000 ] - [ 0.0002017800000000, 0.0000002100000000, 0.0000394300000000 ] - [ -0.0000708900000000, 0.0001238500000000, 0.0004859500000000 ] - [ -0.0000693600000000, -0.0001251300000000, 0.0004781300000000 ] - [ -0.0000621800000000, 0.0000510800000000, 0.0001621900000000 ] - [ -0.0001046500000000, -0.0000134800000000, -0.0002600400000000 ] - [ -0.0000089400000000, -0.0000301700000000, 0.0000678400000000 ] - [ -0.0003425300000000, 0.0000645300000000, -0.0005113300000000 ] - [ -0.0021978200000000, -0.0010271300000000, 0.0025373500000000 ] - [ -0.0001922500000000, -0.0004080900000000, 0.0000095500000000 ] - [ -0.0002194700000000, -0.0000618100000000, -0.0000651600000000 ] - [ -0.0004252100000000, -0.0001120100000000, 0.0004554300000000 ] - [ -0.0005253600000000, -0.0095146100000000, -0.0003192300000000 ] - [ 0.0019459700000000, -0.0008342800000000, -0.0031904500000000 ] - [ -0.0000983900000000, -0.0002491200000000, -0.0002083700000000 ] - [ 0.0002548000000000, -0.0001294600000000, -0.0007815900000000 ] - [ 0.0017342000000000, 0.0003835200000000, 0.0010722700000000 ] - [ -0.0000059400000000, 0.0191793600000000, -0.0000265500000000 ] - [ 0.0002947400000000, 0.0003128700000000, 0.0000922000000000 ] - [ -0.0017867000000000, 0.0003300800000000, -0.0011889500000000 ] - [ -0.0545266200000000, 0.1025425100000000, -0.0254302800000000 ] - [ -0.0000408100000000, -0.0009275900000000, 0.0000509800000000 ] - [ -0.0001514500000000, -0.0102469500000000, -0.0004070400000000 ] - [ 0.0010743900000000, 0.0007252300000000, 0.0005836900000000 ] - [ 0.0000101800000000, -0.0000617600000000, 0.0000861500000000 ] - [ 0.0001329600000000, -0.0003004500000000, -0.0002423600000000 ] - [ 0.0001691000000000, -0.0005905400000000, -0.0002157200000000 ] - [ -0.0007638000000000, 0.0003110500000000, -0.0018324200000000 ] - [ 0.0001092900000000, -0.0000051200000000, 0.0001546300000000 ] - [ -0.0000603600000000, 0.0000334800000000, 0.0001947800000000 ] - [ 0.0005894400000000, 0.0004007300000000, 0.0008273300000000 ] - [ -0.0001940100000000, -0.0001044200000000, -0.0001985800000000 ] - [ 0.0000203200000000, 0.0001625000000000, 0.0002011500000000 ] - [ 0.0004069700000000, 0.0000038000000000, 0.0001459200000000 ] - [ 0.0000644400000000, 0.0000551700000000, -0.0001349800000000 ] - [ -0.0000441700000000, 0.0000033900000000, 0.0003716200000000 ] - [ -0.0000051300000000, 0.0001861100000000, 0.0004455100000000 ] - [ 0.0000204900000000, -0.0001634600000000, 0.0002017200000000 ] - [ 0.0000664700000000, -0.0000005800000000, 0.0005534600000000 ] - [ -0.0000061600000000, -0.0001863500000000, 0.0004653800000000 ] - [ 0.0000574400000000, -0.0000013100000000, 0.0003377000000000 ] - [ 0.0002016600000000, -0.0000001300000000, 0.0000393300000000 ] - [ -0.0000695700000000, 0.0001238900000000, 0.0004852500000000 ] - [ -0.0000684100000000, -0.0001253300000000, 0.0004770400000000 ]- atom: 13 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0003469200000000, 0.0000000000000000, 0.0040938200000000 ] - [ 0.0005045000000000, 0.0000000000000000, 0.0031595400000000 ] - [ -0.0003508600000000, 0.0001374000000000, 0.0037073900000000 ] - [ -0.0011542600000000, 0.0000000000000000, 0.0177458600000000 ] - [ 0.0005825300000000, -0.0000492600000000, 0.0026195100000000 ] - [ 0.0111237000000000, 0.0065872400000000, 0.0003152900000000 ] - [ 0.0042565900000000, 0.0000000000000000, 0.0030736100000000 ] - [ 0.0111237000000000, -0.0065872400000000, 0.0003152900000000 ] - [ 0.0010753500000000, 0.0000000000000000, 0.0031875700000000 ] - [ 0.0024260700000000, 0.0000000000000000, -0.0168577500000000 ] - [ 0.0034437800000000, 0.0001393200000000, -0.0022960200000000 ] - [ -0.0009576100000000, 0.0000000000000000, 0.0034249100000000 ] - [ -0.0540584700000000, 0.0000000000000000, -0.1815694200000000 ] - [ -0.0002943700000000, 0.0000000000000000, 0.0071943000000000 ] - [ 0.0034437800000000, -0.0001393200000000, -0.0022960200000000 ] - [ 0.0227984400000000, 0.0000000000000000, 0.0143280100000000 ] - [ -0.0000354900000000, 0.0001076500000000, 0.0026715100000000 ] - [ -0.0001429200000000, 0.0000000000000000, 0.0035254800000000 ] - [ -0.0000634400000000, 0.0001083100000000, 0.0037617000000000 ] - [ 0.0000950700000000, 0.0000000000000000, 0.0042587200000000 ] - [ -0.0000354900000000, -0.0001076500000000, 0.0026715100000000 ] - [ -0.0001445900000000, -0.0001083900000000, 0.0036787300000000 ] - [ 0.0004476100000000, 0.0000000000000000, 0.0037327300000000 ] - [ -0.0000391300000000, 0.0000000000000000, 0.0036699000000000 ] - [ -0.0000921900000000, 0.0000000000000000, 0.0039001200000000 ] - [ -0.0006430200000000, 0.0000000000000000, 0.0024773000000000 ] - [ 0.0005825300000000, 0.0000492600000000, 0.0026195100000000 ] - [ 0.0003268400000000, 0.0000000000000000, -0.0000225200000000 ] - [ -0.0003508600000000, -0.0001374000000000, 0.0037073900000000 ] - [ -0.0092912600000000, -0.0022072300000000, -0.0040919700000000 ] - [ -0.0033696700000000, 0.0000000000000000, 0.0043465800000000 ] - [ -0.0092912600000000, 0.0022072300000000, -0.0040919700000000 ] - [ -0.0018956500000000, 0.0000000000000000, 0.0017945600000000 ] - [ -0.0013163900000000, 0.0000000000000000, -0.0261876000000000 ] - [ -0.0129631300000000, -0.0171850500000000, 0.0136470000000000 ] - [ 0.0005852800000000, 0.0000000000000000, 0.0026076400000000 ] - [ 0.0023196600000000, 0.0000000000000000, -0.0094260600000000 ] - [ 0.0004248100000000, 0.0000000000000000, 0.0014869500000000 ] - [ -0.0129631300000000, 0.0171850500000000, 0.0136470000000000 ] - [ -0.0028256500000000, 0.0000000000000000, -0.0016538600000000 ] - [ 0.0003813100000000, 0.0003783700000000, 0.0037753300000000 ] - [ -0.0001198400000000, 0.0000000000000000, 0.0035639900000000 ] - [ -0.0001445900000000, 0.0001083900000000, 0.0036787300000000 ] - [ 0.0003122400000000, 0.0000000000000000, 0.0044447700000000 ] - [ 0.0003813100000000, -0.0003783700000000, 0.0037753300000000 ] - [ -0.0000634400000000, -0.0001083100000000, 0.0037617000000000 ] - [ -0.0000497000000000, 0.0000000000000000, 0.0038543800000000 ] - [ 0.0000842500000000, 0.0000000000000000, 0.0035862500000000 ] - [ -0.0030774900000000, 0.0000000000000000, -0.0111931800000000 ] - [ 0.0011906600000000, 0.0000000000000000, 0.0018169800000000 ] - [ 0.0001474100000000, 0.0000000000000000, 0.0029963000000000 ] - [ -0.0023737700000000, 0.0000000000000000, 0.0007715100000000 ] - [ 0.0052108900000000, 0.0000000000000000, -0.0112353400000000 ] - [ -0.0011184700000000, 0.0000000000000000, 0.0024211300000000 ] - [ 0.0001181300000000, 0.0000000000000000, 0.0031906300000000 ] - [ 0.0022793200000000, 0.0000000000000000, 0.0019494000000000 ] - [ -0.0004155100000000, -0.0004220900000000, -0.0021442100000000 ] - [ -0.0001581500000000, 0.0000000000000000, -0.0039214900000000 ] - [ -0.0000141900000000, 0.0003390000000000, -0.0017494000000000 ] - [ -0.0001403800000000, 0.0000000000000000, -0.0024682100000000 ] - [ -0.0018960000000000, -0.0009135300000000, -0.0003020400000000 ] - [ -0.0003595100000000, 0.0000000000000000, -0.0012624100000000 ] - [ -0.0004133200000000, 0.0000000000000000, -0.0026803100000000 ] - [ -0.0009427700000000, -0.0002790700000000, -0.0025128200000000 ] - [ -0.0061501900000000, 0.0000000000000000, 0.0041438200000000 ] - [ -0.0018960000000000, 0.0009135300000000, -0.0003020400000000 ] - [ -0.0069280600000000, 0.0000000000000000, -0.0042978500000000 ] - [ -0.0009427700000000, 0.0002790700000000, -0.0025128200000000 ] - [ 0.0052665400000000, -0.0031322000000000, 0.0077346400000000 ] - [ -0.0051719900000000, 0.0000000000000000, 0.0047164700000000 ] - [ -0.0014290400000000, 0.0000000000000000, 0.0004377600000000 ] - [ 0.0052665400000000, 0.0031322000000000, 0.0077346400000000 ] - [ 0.0015926100000000, -0.0005199000000000, 0.0055008400000000 ] - [ -0.0024987500000000, 0.0000000000000000, 0.0000849400000000 ] - [ -0.0021397400000000, 0.0000000000000000, 0.0040385000000000 ] - [ 0.0263450500000000, 0.0337031500000000, 0.0364082500000000 ] - [ -0.0003154200000000, -0.0000774000000000, -0.0014063800000000 ] - [ 0.0056461500000000, 0.0000000000000000, -0.0077014100000000 ] - [ 0.0065485000000000, 0.0000000000000000, 0.0585335200000000 ] - [ 0.0004467600000000, -0.0001750600000000, 0.0000246000000000 ] - [ 0.0001259800000000, 0.0000000000000000, -0.0024565100000000 ] - [ 0.0003367500000000, -0.0001365700000000, -0.0029668800000000 ] - [ 0.0004467600000000, 0.0001750600000000, 0.0000246000000000 ] - [ 0.0002065700000000, 0.0000000000000000, -0.0017482700000000 ] - [ 0.0000524300000000, 0.0001612700000000, -0.0020473500000000 ] - [ 0.0005714400000000, 0.0000000000000000, -0.0019672500000000 ] - [ 0.0007204700000000, 0.0000000000000000, -0.0022181100000000 ] - [ 0.0000020100000000, 0.0000000000000000, -0.0024275200000000 ] - [ 0.0001845900000000, 0.0003056400000000, -0.0017790100000000 ] - [ 0.0000524300000000, -0.0001612700000000, -0.0020473500000000 ] - [ 0.0001219000000000, 0.0000000000000000, -0.0017401500000000 ] - [ 0.0001845900000000, -0.0003056400000000, -0.0017790100000000 ] - [ 0.0005832800000000, 0.0000000000000000, -0.0016600000000000 ] - [ 0.0001576100000000, 0.0000000000000000, -0.0026016900000000 ] - [ -0.0003196500000000, 0.0005505700000000, -0.0015254200000000 ] - [ -0.0003090000000000, -0.0005593200000000, -0.0015643800000000 ] - [ -0.0000141900000000, -0.0003390000000000, -0.0017494000000000 ] - [ -0.0001635500000000, 0.0000000000000000, -0.0018444200000000 ] - [ -0.0004155100000000, 0.0004220900000000, -0.0021442100000000 ] - [ 0.0003583800000000, 0.0000000000000000, -0.0026928600000000 ] - [ 0.0042876200000000, 0.0038225300000000, -0.0041879200000000 ] - [ -0.0003635000000000, 0.0000000000000000, -0.0029369500000000 ] - [ -0.0000705000000000, 0.0000000000000000, -0.0028685900000000 ] - [ 0.0010870600000000, 0.0000851300000000, -0.0025913400000000 ] - [ 0.0017101700000000, 0.0000000000000000, 0.0060811300000000 ] - [ 0.0042876200000000, -0.0038225300000000, -0.0041879200000000 ] - [ 0.0020347800000000, 0.0000000000000000, 0.0012273100000000 ] - [ 0.0010870600000000, -0.0000851300000000, -0.0025913400000000 ] - [ -0.0083270600000000, 0.0019352700000000, 0.0040580900000000 ] - [ -0.0047758100000000, 0.0000000000000000, 0.0284411700000000 ] - [ 0.0017019500000000, 0.0000000000000000, 0.0024599900000000 ] - [ -0.0083270600000000, -0.0019352700000000, 0.0040580900000000 ] - [ 0.0263450500000000, -0.0337031500000000, 0.0364082500000000 ] - [ 0.0025339600000000, 0.0000000000000000, -0.0000340700000000 ] - [ 0.0046129400000000, 0.0000000000000000, 0.0069829900000000 ] - [ 0.0015926100000000, 0.0005199000000000, 0.0055008400000000 ] - [ 0.0003367500000000, 0.0001365700000000, -0.0029668800000000 ] - [ -0.0014843000000000, 0.0000000000000000, -0.0004192500000000 ] - [ -0.0002875000000000, 0.0000000000000000, 0.0046851900000000 ] - [ -0.0026447000000000, 0.0033569900000000, -0.0082792900000000 ] - [ 0.0000917000000000, 0.0000000000000000, -0.0018505000000000 ] - [ -0.0003154200000000, 0.0000774000000000, -0.0014063800000000 ] - [ -0.0026447000000000, -0.0033569900000000, -0.0082792900000000 ] - [ -0.0007437600000000, 0.0000000000000000, -0.0033202700000000 ] - [ -0.0000167900000000, 0.0001538100000000, -0.0021590200000000 ] - [ 0.0005147800000000, 0.0000000000000000, -0.0023631600000000 ] - [ -0.0005838300000000, 0.0000000000000000, -0.0029538100000000 ] - [ -0.0000952000000000, 0.0000000000000000, -0.0025396800000000 ] - [ -0.0003272200000000, 0.0003012400000000, -0.0019289800000000 ] - [ -0.0000167900000000, -0.0001538100000000, -0.0021590200000000 ] - [ 0.0000274400000000, 0.0000000000000000, -0.0017589700000000 ] - [ -0.0003272200000000, -0.0003012400000000, -0.0019289800000000 ] - [ 0.0005138500000000, 0.0000000000000000, -0.0017053500000000 ] - [ 0.0002444700000000, 0.0000000000000000, -0.0025917900000000 ] - [ -0.0003090000000000, 0.0005593200000000, -0.0015643800000000 ] - [ -0.0003196500000000, -0.0005505700000000, -0.0015254200000000 ]- atom: 13 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0000605700000000, 0.0000000000000000, -0.0035178700000000 ] - [ -0.0006368600000000, 0.0000000000000000, -0.0039493400000000 ] - [ 0.0005150500000000, -0.0000603200000000, -0.0037945800000000 ] - [ 0.0009453000000000, 0.0000000000000000, -0.0186880200000000 ] - [ -0.0004283400000000, -0.0000292600000000, -0.0026923800000000 ] - [ -0.0112189500000000, -0.0066564300000000, -0.0001536100000000 ] - [ -0.0045208600000000, 0.0000000000000000, -0.0029124700000000 ] - [ -0.0112189500000000, 0.0066564300000000, -0.0001536100000000 ] - [ -0.0012885100000000, 0.0000000000000000, -0.0030598000000000 ] - [ -0.0024754100000000, 0.0000000000000000, 0.0167145700000000 ] - [ -0.0032306200000000, -0.0002861900000000, 0.0015511300000000 ] - [ 0.0010516200000000, 0.0000000000000000, -0.0038513300000000 ] - [ 0.0551422600000000, 0.0000000000000000, 0.1746101000000000 ] - [ 0.0003495700000000, 0.0000000000000000, -0.0078602700000000 ] - [ -0.0032306200000000, 0.0002861900000000, 0.0015511300000000 ] - [ -0.0220235000000000, 0.0000000000000000, -0.0145123300000000 ] - [ 0.0001520700000000, -0.0000242600000000, -0.0026730000000000 ] - [ -0.0000979300000000, 0.0000000000000000, -0.0029446700000000 ] - [ -0.0001546900000000, 0.0001271500000000, -0.0028201000000000 ] - [ 0.0003187600000000, 0.0000000000000000, -0.0031772600000000 ] - [ 0.0001520700000000, 0.0000242600000000, -0.0026730000000000 ] - [ -0.0000733600000000, -0.0001272100000000, -0.0027364500000000 ] - [ -0.0000536000000000, 0.0000000000000000, -0.0029821300000000 ] - [ 0.0001043400000000, 0.0000000000000000, -0.0039306000000000 ] - [ 0.0003842700000000, 0.0000000000000000, -0.0033226400000000 ] - [ 0.0005270600000000, 0.0000000000000000, -0.0032597700000000 ] - [ -0.0004283400000000, 0.0000292600000000, -0.0026923800000000 ] - [ -0.0005552000000000, 0.0000000000000000, -0.0006671600000000 ] - [ 0.0005150500000000, 0.0000603200000000, -0.0037945800000000 ] - [ 0.0092720800000000, 0.0021881500000000, 0.0042693100000000 ] - [ 0.0032081800000000, 0.0000000000000000, -0.0042000200000000 ] - [ 0.0092720800000000, -0.0021881500000000, 0.0042693100000000 ] - [ 0.0017201800000000, 0.0000000000000000, -0.0016619300000000 ] - [ 0.0013602400000000, 0.0000000000000000, 0.0259886300000000 ] - [ 0.0131122300000000, 0.0169795900000000, -0.0142764900000000 ] - [ -0.0004907600000000, 0.0000000000000000, -0.0030336800000000 ] - [ -0.0016994700000000, 0.0000000000000000, 0.0091878600000000 ] - [ -0.0003653700000000, 0.0000000000000000, -0.0021541100000000 ] - [ 0.0131122300000000, -0.0169795900000000, -0.0142764900000000 ] - [ 0.0035339100000000, 0.0000000000000000, 0.0013150300000000 ] - [ -0.0002653000000000, -0.0002945500000000, -0.0037765800000000 ] - [ -0.0001220700000000, 0.0000000000000000, -0.0029828100000000 ] - [ -0.0000733600000000, 0.0001272100000000, -0.0027364500000000 ] - [ 0.0001014200000000, 0.0000000000000000, -0.0033633200000000 ] - [ -0.0002653000000000, 0.0002945500000000, -0.0037765800000000 ] - [ -0.0001546900000000, -0.0001271500000000, -0.0028201000000000 ] - [ 0.0004436800000000, 0.0000000000000000, -0.0031036400000000 ] - [ -0.0000206500000000, 0.0000000000000000, -0.0038450300000000 ] - [ 0.0029743900000000, 0.0000000000000000, 0.0107179500000000 ] - [ -0.0011328900000000, 0.0000000000000000, -0.0017872900000000 ] - [ 0.0001163900000000, 0.0000000000000000, -0.0019773700000000 ] - [ 0.0023504500000000, 0.0000000000000000, -0.0013011900000000 ] - [ -0.0054095000000000, 0.0000000000000000, 0.0107247500000000 ] - [ 0.0011760100000000, 0.0000000000000000, -0.0023930800000000 ] - [ 0.0001456500000000, 0.0000000000000000, -0.0021714600000000 ] - [ -0.0023009000000000, 0.0000000000000000, -0.0024726900000000 ] - [ 0.0004034700000000, 0.0004987000000000, 0.0023599400000000 ] - [ -0.0000453600000000, 0.0000000000000000, 0.0034167500000000 ] - [ -0.0000035400000000, -0.0004144900000000, 0.0019606600000000 ] - [ -0.0005433400000000, 0.0000000000000000, 0.0014420400000000 ] - [ 0.0016493900000000, 0.0007002100000000, -0.0003916700000000 ] - [ -0.0000285600000000, 0.0000000000000000, 0.0012713700000000 ] - [ -0.0000240600000000, 0.0000000000000000, 0.0025478900000000 ] - [ 0.0007848200000000, 0.0003011500000000, 0.0021860000000000 ] - [ 0.0052258700000000, 0.0000000000000000, -0.0049569600000000 ] - [ 0.0016493900000000, -0.0007002100000000, -0.0003916700000000 ] - [ 0.0068829600000000, 0.0000000000000000, 0.0038657200000000 ] - [ 0.0007848200000000, -0.0003011500000000, 0.0021860000000000 ] - [ -0.0053041700000000, 0.0032026700000000, -0.0078060100000000 ] - [ 0.0054814700000000, 0.0000000000000000, -0.0048998200000000 ] - [ 0.0020226800000000, 0.0000000000000000, -0.0002719200000000 ] - [ -0.0053041700000000, -0.0032026700000000, -0.0078060100000000 ] - [ -0.0016641700000000, 0.0002019400000000, -0.0054504300000000 ] - [ 0.0023899200000000, 0.0000000000000000, 0.0000422800000000 ] - [ 0.0017643100000000, 0.0000000000000000, -0.0047074600000000 ] - [ -0.0266431400000000, -0.0338023200000000, -0.0359521500000000 ] - [ 0.0002742800000000, -0.0000075400000000, 0.0017142000000000 ] - [ -0.0053879400000000, 0.0000000000000000, 0.0072245100000000 ] - [ -0.0060055400000000, 0.0000000000000000, -0.0535651900000000 ] - [ -0.0006280300000000, 0.0001137900000000, -0.0010333000000000 ] - [ 0.0000923800000000, 0.0000000000000000, 0.0027754300000000 ] - [ -0.0003771700000000, 0.0002215400000000, 0.0032748600000000 ] - [ -0.0006280300000000, -0.0001137900000000, -0.0010333000000000 ] - [ -0.0005972300000000, 0.0000000000000000, 0.0013582700000000 ] - [ -0.0000126100000000, 0.0001636200000000, 0.0024588400000000 ] - [ 0.0002412600000000, 0.0000000000000000, 0.0022671200000000 ] - [ -0.0005930200000000, 0.0000000000000000, 0.0019526100000000 ] - [ -0.0000910400000000, 0.0000000000000000, 0.0031758100000000 ] - [ -0.0001957100000000, 0.0000661100000000, 0.0026982900000000 ] - [ -0.0000126100000000, -0.0001636200000000, 0.0024588400000000 ] - [ 0.0000121700000000, 0.0000000000000000, 0.0028555500000000 ] - [ -0.0001957100000000, -0.0000661100000000, 0.0026982900000000 ] - [ -0.0004711900000000, 0.0000000000000000, 0.0023368100000000 ] - [ 0.0002458100000000, 0.0000000000000000, 0.0026928100000000 ] - [ 0.0001816900000000, -0.0003032400000000, 0.0024898600000000 ] - [ 0.0001707200000000, 0.0003121700000000, 0.0025294900000000 ] - [ -0.0000035400000000, 0.0004144900000000, 0.0019606600000000 ] - [ -0.0000411800000000, 0.0000000000000000, 0.0013128000000000 ] - [ 0.0004034700000000, -0.0004987000000000, 0.0023599400000000 ] - [ -0.0010481300000000, 0.0000000000000000, 0.0016699900000000 ] - [ -0.0046152500000000, -0.0041108400000000, 0.0035408000000000 ] - [ -0.0000209800000000, 0.0000000000000000, 0.0029653600000000 ] - [ -0.0003703400000000, 0.0000000000000000, 0.0027395800000000 ] - [ -0.0012708200000000, -0.0000706500000000, 0.0022684900000000 ] - [ -0.0025833100000000, 0.0000000000000000, -0.0068940400000000 ] - [ -0.0046152500000000, 0.0041108400000000, 0.0035408000000000 ] - [ -0.0022182300000000, 0.0000000000000000, -0.0017226800000000 ] - [ -0.0012708200000000, 0.0000706500000000, 0.0022684900000000 ] - [ 0.0082374600000000, -0.0018413000000000, -0.0041521600000000 ] - [ 0.0049629700000000, 0.0000000000000000, -0.0283972400000000 ] - [ -0.0011311600000000, 0.0000000000000000, -0.0022963100000000 ] - [ 0.0082374600000000, 0.0018413000000000, -0.0041521600000000 ] - [ -0.0266431400000000, 0.0338023200000000, -0.0359521500000000 ] - [ -0.0026328700000000, 0.0000000000000000, 0.0001675900000000 ] - [ -0.0049522500000000, 0.0000000000000000, -0.0076171700000000 ] - [ -0.0016641700000000, -0.0002019400000000, -0.0054504300000000 ] - [ -0.0003771700000000, -0.0002215400000000, 0.0032748600000000 ] - [ 0.0017469100000000, 0.0000000000000000, -0.0000648000000000 ] - [ 0.0006220200000000, 0.0000000000000000, -0.0051077600000000 ] - [ 0.0024752600000000, -0.0034304500000000, 0.0072718200000000 ] - [ 0.0001267600000000, 0.0000000000000000, 0.0021698200000000 ] - [ 0.0002742800000000, 0.0000075400000000, 0.0017142000000000 ] - [ 0.0024752600000000, 0.0034304500000000, 0.0072718200000000 ] - [ 0.0003543900000000, 0.0000000000000000, 0.0029285500000000 ] - [ 0.0000571200000000, 0.0001712400000000, 0.0025706200000000 ] - [ 0.0002981700000000, 0.0000000000000000, 0.0026631600000000 ] - [ 0.0007125000000000, 0.0000000000000000, 0.0026880000000000 ] - [ 0.0000071500000000, 0.0000000000000000, 0.0032888600000000 ] - [ 0.0003161700000000, 0.0000704700000000, 0.0028483100000000 ] - [ 0.0000571200000000, -0.0001712400000000, 0.0025706200000000 ] - [ 0.0001065600000000, 0.0000000000000000, 0.0028746200000000 ] - [ 0.0003161700000000, -0.0000704700000000, 0.0028483100000000 ] - [ -0.0004010400000000, 0.0000000000000000, 0.0023824900000000 ] - [ 0.0001589500000000, 0.0000000000000000, 0.0026825500000000 ] - [ 0.0001707200000000, -0.0003121700000000, 0.0025294900000000 ] - [ 0.0001816900000000, 0.0003032400000000, 0.0024898600000000 ]- atom: 14 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0000801300000000, 0.0000000000000000, 0.0004043800000000 ] - [ -0.0001391900000000, 0.0000000000000000, -0.0003369200000000 ] - [ 0.0000687000000000, 0.0000414100000000, -0.0000329500000000 ] - [ -0.0003632900000000, 0.0000000000000000, -0.0003388000000000 ] - [ 0.0000862000000000, -0.0000330100000000, -0.0000361600000000 ] - [ -0.0002471700000000, -0.0000961400000000, 0.0005674500000000 ] - [ -0.0000641400000000, 0.0000000000000000, 0.0002220900000000 ] - [ -0.0002471700000000, 0.0000961400000000, 0.0005674500000000 ] - [ -0.0001725200000000, 0.0000000000000000, 0.0001839100000000 ] - [ 0.0013717200000000, 0.0000000000000000, -0.0021596500000000 ] - [ 0.0065028200000000, 0.0021245100000000, -0.0025289000000000 ] - [ 0.0073181100000000, 0.0000000000000000, -0.0253263400000000 ] - [ -0.0006661600000000, 0.0000000000000000, -0.0002948600000000 ] - [ -0.1911416500000000, 0.0000000000000000, 0.0003015900000000 ] - [ 0.0065028200000000, -0.0021245100000000, -0.0025289000000000 ] - [ 0.0082538800000000, 0.0000000000000000, -0.0254995600000000 ] - [ 0.0064640300000000, 0.0018995400000000, -0.0019013600000000 ] - [ 0.0006756300000000, 0.0000000000000000, 0.0002592000000000 ] - [ -0.0004847200000000, -0.0000059000000000, 0.0010966100000000 ] - [ 0.0017750900000000, 0.0000000000000000, -0.0012813600000000 ] - [ 0.0064640300000000, -0.0018995400000000, -0.0019013600000000 ] - [ 0.0000792200000000, -0.0000704300000000, -0.0000632000000000 ] - [ 0.0039082100000000, 0.0000000000000000, 0.0041051900000000 ] - [ 0.0003248600000000, 0.0000000000000000, -0.0000888100000000 ] - [ 0.0002177600000000, 0.0000000000000000, 0.0001880200000000 ] - [ 0.0000162000000000, 0.0000000000000000, -0.0004465500000000 ] - [ 0.0000862000000000, 0.0000330100000000, -0.0000361600000000 ] - [ 0.0001825200000000, 0.0000000000000000, -0.0003732000000000 ] - [ 0.0000687000000000, -0.0000414100000000, -0.0000329500000000 ] - [ 0.0000217800000000, -0.0000713100000000, -0.0004985900000000 ] - [ -0.0001625300000000, 0.0000000000000000, -0.0000622400000000 ] - [ 0.0000217800000000, 0.0000713100000000, -0.0004985900000000 ] - [ -0.0000194800000000, 0.0000000000000000, -0.0000617100000000 ] - [ -0.0038709800000000, 0.0000000000000000, 0.0020946100000000 ] - [ -0.0224908000000000, 0.0148717900000000, 0.0132654600000000 ] - [ 0.0051764700000000, 0.0000000000000000, 0.0017760100000000 ] - [ 0.0018854900000000, 0.0000000000000000, 0.0000544000000000 ] - [ 0.0074957700000000, 0.0000000000000000, -0.0014124800000000 ] - [ -0.0224908000000000, -0.0148717900000000, 0.0132654600000000 ] - [ 0.0059431200000000, 0.0000000000000000, 0.0016888800000000 ] - [ -0.0227071100000000, 0.0147397300000000, 0.0134384200000000 ] - [ -0.0008124400000000, 0.0000000000000000, 0.0001577500000000 ] - [ 0.0000792200000000, 0.0000704300000000, -0.0000632000000000 ] - [ -0.0037902200000000, 0.0000000000000000, 0.0023660400000000 ] - [ -0.0227071100000000, -0.0147397300000000, 0.0134384200000000 ] - [ -0.0004847200000000, 0.0000059000000000, 0.0010966100000000 ] - [ 0.0000983400000000, 0.0000000000000000, -0.0032794000000000 ] - [ -0.0002033900000000, 0.0000000000000000, -0.0001621900000000 ] - [ 0.0020829000000000, 0.0000000000000000, 0.0022062400000000 ] - [ 0.0196291400000000, 0.0000000000000000, 0.0014465000000000 ] - [ 0.0011998400000000, 0.0000000000000000, 0.0006585700000000 ] - [ 0.0192679100000000, 0.0000000000000000, 0.0014255300000000 ] - [ -0.0003208900000000, 0.0000000000000000, -0.0025077400000000 ] - [ 0.0034153600000000, 0.0000000000000000, -0.0011781500000000 ] - [ -0.0005979100000000, 0.0000000000000000, 0.0003707400000000 ] - [ 0.0036653600000000, 0.0000000000000000, -0.0018420900000000 ] - [ 0.0000133200000000, 0.0000260600000000, 0.0000722600000000 ] - [ -0.0000548900000000, 0.0000000000000000, -0.0002583900000000 ] - [ -0.0000270900000000, -0.0000472700000000, 0.0001485200000000 ] - [ -0.0003073800000000, 0.0000000000000000, -0.0005241300000000 ] - [ -0.0002893900000000, -0.0001221200000000, -0.0005010200000000 ] - [ -0.0002490000000000, 0.0000000000000000, 0.0000068500000000 ] - [ -0.0001844900000000, 0.0000000000000000, -0.0000536300000000 ] - [ -0.0000722800000000, 0.0000123800000000, -0.0002165200000000 ] - [ -0.0005078400000000, 0.0000000000000000, -0.0009491500000000 ] - [ -0.0002893900000000, 0.0001221200000000, -0.0005010200000000 ] - [ 0.0000414800000000, 0.0000000000000000, -0.0003843700000000 ] - [ -0.0000722800000000, -0.0000123800000000, -0.0002165200000000 ] - [ -0.0008169900000000, 0.0024953400000000, -0.0053558400000000 ] - [ -0.0003165800000000, 0.0000000000000000, -0.0012630800000000 ] - [ 0.0003926900000000, 0.0000000000000000, -0.0001123600000000 ] - [ -0.0008169900000000, -0.0024953400000000, -0.0053558400000000 ] - [ -0.0006360600000000, 0.0000836000000000, 0.0004987200000000 ] - [ -0.0079085100000000, 0.0000000000000000, 0.0049819700000000 ] - [ -0.0035463400000000, 0.0000000000000000, 0.0007588300000000 ] - [ 0.0008477300000000, 0.0002629600000000, -0.0001307400000000 ] - [ -0.0059875000000000, -0.0011913900000000, -0.0004605600000000 ] - [ 0.0572467000000000, 0.0000000000000000, 0.0160405400000000 ] - [ 0.0088008400000000, 0.0000000000000000, -0.0000444200000000 ] - [ -0.0063479200000000, 0.0009367400000000, -0.0012207000000000 ] - [ 0.0101094500000000, 0.0000000000000000, 0.0003480800000000 ] - [ 0.0261214300000000, -0.0011560900000000, 0.0035589700000000 ] - [ -0.0063479200000000, -0.0009367400000000, -0.0012207000000000 ] - [ -0.0055488900000000, 0.0000000000000000, 0.0009652900000000 ] - [ -0.0005829600000000, 0.0001939600000000, 0.0005930100000000 ] - [ -0.0031890600000000, 0.0000000000000000, 0.0010539300000000 ] - [ -0.0070299700000000, 0.0000000000000000, 0.0044742100000000 ] - [ -0.0001639900000000, 0.0000000000000000, 0.0005742100000000 ] - [ -0.0011510900000000, 0.0000061200000000, 0.0032130200000000 ] - [ -0.0005829600000000, -0.0001939600000000, 0.0005930100000000 ] - [ 0.0001883000000000, 0.0000000000000000, 0.0011991300000000 ] - [ -0.0011510900000000, -0.0000061200000000, 0.0032130200000000 ] - [ -0.0001511700000000, 0.0000000000000000, 0.0005409200000000 ] - [ -0.0002614000000000, 0.0000000000000000, -0.0009241400000000 ] - [ 0.0001748300000000, 0.0000844700000000, 0.0006467200000000 ] - [ -0.0003631600000000, -0.0001343900000000, 0.0002824700000000 ] - [ -0.0000270900000000, 0.0000472700000000, 0.0001485200000000 ] - [ -0.0001517900000000, 0.0000000000000000, -0.0002618400000000 ] - [ 0.0000133200000000, -0.0000260600000000, 0.0000722600000000 ] - [ -0.0003771400000000, 0.0000000000000000, -0.0005020400000000 ] - [ 0.0000199500000000, -0.0000809500000000, -0.0001988200000000 ] - [ -0.0001388400000000, 0.0000000000000000, 0.0000073900000000 ] - [ -0.0002591400000000, 0.0000000000000000, -0.0000748200000000 ] - [ -0.0000939300000000, 0.0000054700000000, -0.0001093200000000 ] - [ -0.0004267900000000, 0.0000000000000000, 0.0002081300000000 ] - [ 0.0000199500000000, 0.0000809500000000, -0.0001988200000000 ] - [ -0.0001924100000000, 0.0000000000000000, -0.0000126500000000 ] - [ -0.0000939300000000, -0.0000054700000000, -0.0001093200000000 ] - [ -0.0013254800000000, 0.0002921700000000, 0.0029807900000000 ] - [ 0.0007088200000000, 0.0000000000000000, 0.0004267900000000 ] - [ 0.0002353200000000, 0.0000000000000000, 0.0003066500000000 ] - [ -0.0013254800000000, -0.0002921700000000, 0.0029807900000000 ] - [ 0.0008477300000000, -0.0002629600000000, -0.0001307400000000 ] - [ 0.0051362100000000, 0.0000000000000000, -0.0048386900000000 ] - [ 0.0056596200000000, 0.0000000000000000, 0.0030829900000000 ] - [ -0.0006360600000000, -0.0000836000000000, 0.0004987200000000 ] - [ 0.0261214300000000, 0.0011560900000000, 0.0035589700000000 ] - [ -0.0052450700000000, 0.0000000000000000, 0.0011045700000000 ] - [ -0.0024802200000000, 0.0000000000000000, -0.0003880400000000 ] - [ 0.0344383300000000, -0.0151718500000000, -0.0089813500000000 ] - [ -0.0026631900000000, 0.0000000000000000, -0.0000564000000000 ] - [ -0.0059875000000000, 0.0011913900000000, -0.0004605600000000 ] - [ 0.0344383300000000, 0.0151718500000000, -0.0089813500000000 ] - [ 0.0271133800000000, 0.0000000000000000, -0.0057277000000000 ] - [ 0.0009073100000000, 0.0000151800000000, 0.0001483300000000 ] - [ 0.0060801800000000, 0.0000000000000000, 0.0037933100000000 ] - [ 0.0048374400000000, 0.0000000000000000, -0.0047663900000000 ] - [ 0.0001404800000000, 0.0000000000000000, 0.0001700800000000 ] - [ -0.0009866900000000, -0.0021131100000000, -0.0045780500000000 ] - [ 0.0009073100000000, -0.0000151800000000, 0.0001483300000000 ] - [ 0.0000330000000000, 0.0000000000000000, -0.0007632100000000 ] - [ -0.0009866900000000, 0.0021131100000000, -0.0045780500000000 ] - [ 0.0002646500000000, 0.0000000000000000, 0.0002072900000000 ] - [ 0.0004358900000000, 0.0000000000000000, 0.0010033600000000 ] - [ -0.0003631600000000, 0.0001343900000000, 0.0002824700000000 ] - [ 0.0001748300000000, -0.0000844700000000, 0.0006467200000000 ]- atom: 14 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0002088200000000, 0.0000000000000000, 0.0001851800000000 ] - [ 0.0000148700000000, 0.0000000000000000, -0.0004414100000000 ] - [ 0.0000908500000000, 0.0000375300000000, -0.0000402900000000 ] - [ 0.0001339100000000, 0.0000000000000000, -0.0003733100000000 ] - [ 0.0000738600000000, -0.0000458800000000, -0.0000373100000000 ] - [ 0.0002115500000000, 0.0001047400000000, -0.0005532100000000 ] - [ -0.0001338800000000, 0.0000000000000000, -0.0000578200000000 ] - [ 0.0002115500000000, -0.0001047400000000, -0.0005532100000000 ] - [ -0.0000246200000000, 0.0000000000000000, -0.0000627200000000 ] - [ -0.0013857000000000, 0.0000000000000000, 0.0021058800000000 ] - [ -0.0063047600000000, -0.0022432500000000, 0.0017541900000000 ] - [ -0.0071541400000000, 0.0000000000000000, 0.0250715100000000 ] - [ 0.0012680800000000, 0.0000000000000000, 0.0000743300000000 ] - [ 0.1925840500000000, 0.0000000000000000, 0.0005451700000000 ] - [ -0.0063047600000000, 0.0022432500000000, 0.0017541900000000 ] - [ -0.0076167600000000, 0.0000000000000000, 0.0249927500000000 ] - [ -0.0063437400000000, -0.0018374900000000, 0.0019377400000000 ] - [ -0.0009184400000000, 0.0000000000000000, 0.0003297300000000 ] - [ 0.0002653300000000, 0.0002410900000000, -0.0001485300000000 ] - [ -0.0013531600000000, 0.0000000000000000, 0.0023768000000000 ] - [ -0.0063437400000000, 0.0018374900000000, 0.0019377400000000 ] - [ -0.0002948900000000, -0.0001639800000000, 0.0010113300000000 ] - [ -0.0035285900000000, 0.0000000000000000, -0.0033517200000000 ] - [ -0.0002607400000000, 0.0000000000000000, -0.0001632300000000 ] - [ 0.0000713700000000, 0.0000000000000000, 0.0004018500000000 ] - [ -0.0001403600000000, 0.0000000000000000, -0.0003318000000000 ] - [ 0.0000738600000000, 0.0000458800000000, -0.0000373100000000 ] - [ -0.0004109700000000, 0.0000000000000000, -0.0003398400000000 ] - [ 0.0000908500000000, -0.0000375300000000, -0.0000402900000000 ] - [ -0.0000618700000000, 0.0000801500000000, 0.0005111700000000 ] - [ -0.0000364800000000, 0.0000000000000000, 0.0002265900000000 ] - [ -0.0000618700000000, -0.0000801500000000, 0.0005111700000000 ] - [ -0.0001777000000000, 0.0000000000000000, 0.0001822000000000 ] - [ 0.0038739500000000, 0.0000000000000000, -0.0021375100000000 ] - [ 0.0227855500000000, -0.0150116700000000, -0.0139936800000000 ] - [ -0.0050938500000000, 0.0000000000000000, -0.0021694800000000 ] - [ -0.0012777400000000, 0.0000000000000000, -0.0002869000000000 ] - [ -0.0074372000000000, 0.0000000000000000, 0.0007600900000000 ] - [ 0.0227855500000000, 0.0150116700000000, -0.0139936800000000 ] - [ -0.0052217900000000, 0.0000000000000000, -0.0020436700000000 ] - [ 0.0227229500000000, -0.0146629500000000, -0.0134550600000000 ] - [ 0.0005708100000000, 0.0000000000000000, 0.0004277900000000 ] - [ -0.0002948900000000, 0.0001639800000000, 0.0010113300000000 ] - [ 0.0041963000000000, 0.0000000000000000, -0.0012768600000000 ] - [ 0.0227229500000000, 0.0146629500000000, -0.0134550600000000 ] - [ 0.0002653300000000, -0.0002410900000000, -0.0001485300000000 ] - [ 0.0003088600000000, 0.0000000000000000, 0.0040167400000000 ] - [ 0.0002678200000000, 0.0000000000000000, -0.0000903700000000 ] - [ -0.0022403600000000, 0.0000000000000000, -0.0026273200000000 ] - [ -0.0193975700000000, 0.0000000000000000, -0.0013218400000000 ] - [ -0.0009363400000000, 0.0000000000000000, 0.0003693300000000 ] - [ -0.0194428400000000, 0.0000000000000000, -0.0020324800000000 ] - [ 0.0001422600000000, 0.0000000000000000, 0.0020949300000000 ] - [ -0.0032920500000000, 0.0000000000000000, 0.0012586700000000 ] - [ 0.0008630100000000, 0.0000000000000000, 0.0006509600000000 ] - [ -0.0037527200000000, 0.0000000000000000, 0.0012836700000000 ] - [ -0.0000285000000000, 0.0000482100000000, 0.0001448600000000 ] - [ -0.0001486700000000, 0.0000000000000000, -0.0002635100000000 ] - [ 0.0000116500000000, -0.0000269500000000, 0.0000685900000000 ] - [ -0.0003781400000000, 0.0000000000000000, -0.0004977100000000 ] - [ 0.0000282900000000, -0.0001046000000000, -0.0001679000000000 ] - [ -0.0001401700000000, 0.0000000000000000, 0.0000139400000000 ] - [ -0.0002550900000000, 0.0000000000000000, -0.0000754000000000 ] - [ -0.0000971900000000, 0.0000037100000000, -0.0001126300000000 ] - [ -0.0003964700000000, 0.0000000000000000, 0.0002064200000000 ] - [ 0.0000282900000000, 0.0001046000000000, -0.0001679000000000 ] - [ -0.0002066800000000, 0.0000000000000000, -0.0000733800000000 ] - [ -0.0000971900000000, -0.0000037100000000, -0.0001126300000000 ] - [ 0.0007598500000000, -0.0024004300000000, 0.0052393100000000 ] - [ 0.0007072900000000, 0.0000000000000000, 0.0010985000000000 ] - [ 0.0001843700000000, 0.0000000000000000, 0.0003295300000000 ] - [ 0.0007598500000000, 0.0024004300000000, 0.0052393100000000 ] - [ 0.0005329800000000, -0.0003809100000000, -0.0004513100000000 ] - [ 0.0077701000000000, 0.0000000000000000, -0.0047916100000000 ] - [ 0.0031745300000000, 0.0000000000000000, -0.0014204000000000 ] - [ -0.0009552400000000, 0.0000353900000000, 0.0001713500000000 ] - [ 0.0059458400000000, 0.0010979200000000, 0.0007467500000000 ] - [ -0.0596639000000000, 0.0000000000000000, -0.0188961100000000 ] - [ -0.0084799700000000, 0.0000000000000000, -0.0003923500000000 ] - [ 0.0061664600000000, -0.0010055400000000, 0.0002166100000000 ] - [ -0.0098607900000000, 0.0000000000000000, -0.0000444300000000 ] - [ -0.0263474400000000, 0.0014364200000000, -0.0030395800000000 ] - [ 0.0061664600000000, 0.0010055400000000, 0.0002166100000000 ] - [ 0.0051433300000000, 0.0000000000000000, -0.0013755900000000 ] - [ 0.0006216600000000, 0.0001318500000000, -0.0001911000000000 ] - [ 0.0040104900000000, 0.0000000000000000, -0.0007802500000000 ] - [ 0.0071786100000000, 0.0000000000000000, -0.0047990500000000 ] - [ 0.0000749700000000, 0.0000000000000000, 0.0001702200000000 ] - [ 0.0011151500000000, 0.0003765400000000, -0.0022988400000000 ] - [ 0.0006216600000000, -0.0001318500000000, -0.0001911000000000 ] - [ -0.0000562600000000, 0.0000000000000000, -0.0000910600000000 ] - [ 0.0011151500000000, -0.0003765400000000, -0.0022988400000000 ] - [ 0.0002644600000000, 0.0000000000000000, 0.0001349800000000 ] - [ 0.0006670000000000, 0.0000000000000000, 0.0010021700000000 ] - [ -0.0003140600000000, 0.0001637400000000, 0.0003177000000000 ] - [ 0.0002246700000000, -0.0001140700000000, 0.0006812400000000 ] - [ 0.0000116500000000, 0.0000269500000000, 0.0000685900000000 ] - [ -0.0000521400000000, 0.0000000000000000, -0.0002599800000000 ] - [ -0.0000285000000000, -0.0000482100000000, 0.0001448600000000 ] - [ -0.0003082200000000, 0.0000000000000000, -0.0005199500000000 ] - [ -0.0002800300000000, -0.0001455500000000, -0.0004703300000000 ] - [ -0.0002498800000000, 0.0000000000000000, 0.0000129500000000 ] - [ -0.0001802000000000, 0.0000000000000000, -0.0000542500000000 ] - [ -0.0000753000000000, 0.0000104900000000, -0.0002197500000000 ] - [ -0.0004730100000000, 0.0000000000000000, -0.0009525400000000 ] - [ -0.0002800300000000, 0.0001455500000000, -0.0004703300000000 ] - [ 0.0000285400000000, 0.0000000000000000, -0.0004443400000000 ] - [ -0.0000753000000000, -0.0000104900000000, -0.0002197500000000 ] - [ 0.0013002900000000, -0.0001984000000000, -0.0030919400000000 ] - [ -0.0003115500000000, 0.0000000000000000, -0.0005910300000000 ] - [ 0.0003424000000000, 0.0000000000000000, -0.0000880900000000 ] - [ 0.0013002900000000, 0.0001984000000000, -0.0030919400000000 ] - [ -0.0009552400000000, -0.0000353900000000, 0.0001713500000000 ] - [ -0.0052704900000000, 0.0000000000000000, 0.0049772400000000 ] - [ -0.0060436900000000, 0.0000000000000000, -0.0037884600000000 ] - [ 0.0005329800000000, 0.0003809100000000, -0.0004513100000000 ] - [ -0.0263474400000000, -0.0014364200000000, -0.0030395800000000 ] - [ 0.0055255100000000, 0.0000000000000000, -0.0015800000000000 ] - [ 0.0028209400000000, 0.0000000000000000, -0.0000397000000000 ] - [ -0.0345289000000000, 0.0147217100000000, 0.0075843800000000 ] - [ 0.0028801500000000, 0.0000000000000000, 0.0003559000000000 ] - [ 0.0059458400000000, -0.0010979200000000, 0.0007467500000000 ] - [ -0.0345289000000000, -0.0147217100000000, 0.0075843800000000 ] - [ -0.0260108500000000, 0.0000000000000000, 0.0065475400000000 ] - [ -0.0008651700000000, 0.0003097900000000, 0.0002582600000000 ] - [ -0.0052466900000000, 0.0000000000000000, -0.0034834900000000 ] - [ -0.0046830100000000, 0.0000000000000000, 0.0044871400000000 ] - [ -0.0002285600000000, 0.0000000000000000, 0.0005754800000000 ] - [ 0.0009819700000000, 0.0024968000000000, 0.0054914100000000 ] - [ -0.0008651700000000, -0.0003097900000000, 0.0002582600000000 ] - [ 0.0001025800000000, 0.0000000000000000, 0.0018711300000000 ] - [ 0.0009819700000000, -0.0024968000000000, 0.0054914100000000 ] - [ -0.0001501500000000, 0.0000000000000000, 0.0004692000000000 ] - [ -0.0000343900000000, 0.0000000000000000, -0.0009224000000000 ] - [ 0.0002246700000000, 0.0001140700000000, 0.0006812400000000 ] - [ -0.0003140600000000, -0.0001637400000000, 0.0003177000000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001445200000000, 0.0000051500000000, 0.0002948500000000 ] - [ -0.0000621900000000, -0.0000034500000000, -0.0003887900000000 ] - [ 0.0000777700000000, 0.0000397900000000, -0.0000390600000000 ] - [ -0.0001143300000000, 0.0000203200000000, -0.0003566900000000 ] - [ 0.0000819300000000, -0.0000389800000000, -0.0000336700000000 ] - [ -0.0001109800000000, 0.0000049300000000, -0.0000571300000000 ] - [ -0.0000992900000000, -0.0000144100000000, 0.0000817800000000 ] - [ 0.0000728600000000, -0.0000032700000000, 0.0000683500000000 ] - [ -0.0000985700000000, 0.0000052500000000, 0.0000601100000000 ] - [ -0.0000040800000000, -0.0018316000000000, -0.0000214700000000 ] - [ 0.0018339300000000, -0.0001078400000000, 0.0001277800000000 ] - [ 0.0000662800000000, -0.0251340800000000, -0.0002461600000000 ] - [ 0.0003055500000000, 0.0004590100000000, -0.0001134500000000 ] - [ -0.0006746000000000, -0.1827092200000000, 0.0004184300000000 ] - [ -0.0016446800000000, 0.0000431400000000, -0.0008714800000000 ] - [ 0.0003370800000000, -0.0253005800000000, -0.0001326200000000 ] - [ 0.0017703300000000, 0.0000336600000000, 0.0004363000000000 ] - [ -0.0001206100000000, -0.0001735300000000, 0.0002938800000000 ] - [ -0.0001806700000000, 0.0001217600000000, 0.0004247700000000 ] - [ 0.0002074900000000, -0.0018361900000000, 0.0005448000000000 ] - [ -0.0016510500000000, -0.0000539400000000, -0.0004242300000000 ] - [ -0.0000100400000000, -0.0001131900000000, 0.0005735600000000 ] - [ 0.0001962700000000, 0.0004234300000000, 0.0003744700000000 ] - [ 0.0000322100000000, 0.0000331600000000, -0.0001254500000000 ] - [ 0.0001445600000000, 0.0000037400000000, 0.0002946900000000 ] - [ -0.0000622000000000, -0.0000039200000000, -0.0003887300000000 ] - [ 0.0000778200000000, 0.0000397700000000, -0.0000388800000000 ] - [ -0.0001149200000000, 0.0000293200000000, -0.0003565100000000 ] - [ 0.0000821500000000, -0.0000390200000000, -0.0000333400000000 ] - [ -0.0001342000000000, 0.0000015600000000, -0.0001039300000000 ] - [ -0.0000990400000000, -0.0000131100000000, 0.0000820400000000 ] - [ 0.0000965500000000, -0.0000065700000000, 0.0001177100000000 ] - [ -0.0000986600000000, 0.0000035600000000, 0.0000603900000000 ] - [ -0.0000018100000000, -0.0006374400000000, -0.0000263500000000 ] - [ 0.0155333100000000, 0.0037067700000000, 0.0192952600000000 ] - [ 0.0000660000000000, -0.0007742200000000, -0.0001976700000000 ] - [ 0.0003015100000000, 0.0003091300000000, -0.0001131200000000 ] - [ 0.0000262900000000, -0.0002425900000000, -0.0003275100000000 ] - [ -0.0153542900000000, 0.0037570500000000, -0.0201737200000000 ] - [ 0.0003267500000000, -0.0008916900000000, -0.0001810300000000 ] - [ 0.0149754300000000, 0.0028882400000000, 0.0198368700000000 ] - [ -0.0001213700000000, -0.0001124600000000, 0.0002938400000000 ] - [ -0.0002075200000000, 0.0001220500000000, 0.0003744800000000 ] - [ 0.0002060200000000, -0.0005938900000000, 0.0005466900000000 ] - [ -0.0148311400000000, 0.0028973200000000, -0.0197083100000000 ] - [ -0.0000371200000000, -0.0001135400000000, 0.0005242500000000 ] - [ 0.0001985600000000, 0.0031739000000000, 0.0003694200000000 ] - [ 0.0000319900000000, 0.0000252400000000, -0.0001253300000000 ] - [ -0.0000848900000000, 0.0002371400000000, -0.0002102700000000 ] - [ 0.0000067100000000, -0.0024208100000000, 0.0000184800000000 ] - [ 0.0001322100000000, 0.0001547000000000, 0.0005121200000000 ] - [ 0.0000062200000000, -0.0017971300000000, -0.0002586000000000 ] - [ -0.0000834700000000, 0.0016761600000000, -0.0002064200000000 ] - [ -0.0000661800000000, 0.0252386400000000, 0.0000863900000000 ] - [ 0.0001310000000000, 0.0001755900000000, 0.0005126500000000 ] - [ 0.0000791500000000, 0.0248403200000000, -0.0003256400000000 ] - [ -0.0000079000000000, 0.0000379700000000, 0.0001102300000000 ] - [ -0.0001020300000000, -0.0000006000000000, -0.0002612500000000 ] - [ -0.0000074800000000, -0.0000368200000000, 0.0001055000000000 ] - [ -0.0003430400000000, 0.0000008000000000, -0.0005117600000000 ] - [ -0.0001187200000000, -0.0001092600000000, -0.0003511000000000 ] - [ -0.0001943700000000, 0.0000018100000000, 0.0000099300000000 ] - [ -0.0002197600000000, -0.0000017300000000, -0.0000649400000000 ] - [ -0.0000839800000000, 0.0000091400000000, -0.0001689400000000 ] - [ -0.0004505300000000, -0.0000439700000000, -0.0003705600000000 ] - [ -0.0001408300000000, 0.0001166600000000, -0.0003177900000000 ] - [ -0.0000826500000000, -0.0000203300000000, -0.0002285900000000 ] - [ -0.0000853300000000, -0.0000070100000000, -0.0001608100000000 ] - [ -0.0002083900000000, 0.0003831600000000, -0.0009378700000000 ] - [ 0.0001974900000000, 0.0000651600000000, -0.0000815700000000 ] - [ 0.0002887300000000, 0.0000264000000000, 0.0001098600000000 ] - [ 0.0001623100000000, 0.0002767000000000, 0.0008370100000000 ] - [ 0.0001458500000000, -0.0002491500000000, -0.0003740400000000 ] - [ -0.0000535400000000, 0.0042157900000000, 0.0000602300000000 ] - [ -0.0001795800000000, 0.0004745500000000, -0.0003424800000000 ] - [ 0.0000531000000000, 0.0001398900000000, 0.0003266300000000 ] - [ -0.0000698600000000, 0.0000346300000000, -0.0000188700000000 ] - [ 0.0003248300000000, 0.0221993000000000, -0.0001031200000000 ] - [ 0.0001811000000000, 0.0062899800000000, -0.0002113600000000 ] - [ -0.0000479600000000, 0.0000426200000000, -0.0003367200000000 ] - [ 0.0000937000000000, 0.0074215300000000, 0.0001450000000000 ] - [ -0.0005338100000000, 0.0210091500000000, -0.0043036700000000 ] - [ -0.0001233900000000, 0.0000926200000000, -0.0006797700000000 ] - [ -0.0001934200000000, -0.0021152500000000, -0.0002053200000000 ] - [ -0.0001498900000000, 0.0002733500000000, 0.0005422500000000 ] - [ 0.0004058300000000, 0.0002716800000000, 0.0001458700000000 ] - [ 0.0000669700000000, 0.0038800600000000, -0.0001324300000000 ] - [ -0.0000443700000000, 0.0000361700000000, 0.0003721000000000 ] - [ -0.0027596900000000, 0.0005848100000000, 0.0035646300000000 ] - [ 0.0001899100000000, -0.0000522800000000, -0.0001379800000000 ] - [ 0.0000666200000000, 0.0002602200000000, 0.0005544400000000 ] - [ 0.0027402800000000, 0.0002052900000000, -0.0026483900000000 ] - [ 0.0000570200000000, -0.0000357400000000, 0.0003381100000000 ] - [ 0.0002013200000000, -0.0000453800000000, 0.0000392000000000 ] - [ -0.0000720100000000, 0.0001177300000000, 0.0005106100000000 ] - [ -0.0000433900000000, -0.0001341000000000, 0.0004484500000000 ] - [ -0.0000076000000000, 0.0000379800000000, 0.0001098200000000 ] - [ -0.0001019600000000, -0.0000008500000000, -0.0002612600000000 ] - [ -0.0000072100000000, -0.0000368200000000, 0.0001049800000000 ] - [ -0.0003431100000000, 0.0000011400000000, -0.0005117700000000 ] - [ -0.0001279200000000, -0.0001114500000000, -0.0003501900000000 ] - [ -0.0001944400000000, 0.0000016900000000, 0.0000098100000000 ] - [ -0.0002197700000000, -0.0000020600000000, -0.0000648800000000 ] - [ -0.0000844300000000, 0.0000089000000000, -0.0001684000000000 ] - [ -0.0004511200000000, -0.0001285200000000, -0.0003716000000000 ] - [ -0.0001323500000000, 0.0001144500000000, -0.0003191900000000 ] - [ -0.0000824700000000, -0.0000256600000000, -0.0002291000000000 ] - [ -0.0000849700000000, -0.0000072100000000, -0.0001616500000000 ] - [ 0.0028960400000000, 0.0008765600000000, -0.0031683100000000 ] - [ 0.0001965900000000, 0.0001861800000000, -0.0000829900000000 ] - [ 0.0002888000000000, 0.0000285900000000, 0.0001092700000000 ] - [ -0.0029364900000000, 0.0007859500000000, 0.0030450700000000 ] - [ -0.0001587800000000, -0.0001572100000000, -0.0002793800000000 ] - [ -0.0000184700000000, -0.0075317900000000, 0.0001078100000000 ] - [ -0.0001968900000000, -0.0039639300000000, -0.0003432600000000 ] - [ -0.0002492500000000, 0.0000487100000000, 0.0004185500000000 ] - [ 0.0000167300000000, 0.0199556100000000, 0.0054595900000000 ] - [ 0.0001341700000000, -0.0021219600000000, -0.0002373300000000 ] - [ 0.0001723400000000, -0.0001984800000000, -0.0002183300000000 ] - [ -0.0136416400000000, 0.0434308400000000, 0.0141546900000000 ] - [ 0.0001089600000000, -0.0001880400000000, 0.0001537000000000 ] - [ 0.0000275100000000, 0.0001112600000000, 0.0003199100000000 ] - [ 0.0145143600000000, 0.0451011500000000, -0.0168458600000000 ] - [ -0.0002650000000000, 0.0223206800000000, -0.0002549800000000 ] - [ 0.0000745200000000, 0.0002054800000000, 0.0004446300000000 ] - [ 0.0004226900000000, -0.0038604900000000, 0.0001517000000000 ] - [ 0.0000393000000000, -0.0063415600000000, -0.0001697700000000 ] - [ -0.0000443000000000, 0.0000294200000000, 0.0003718700000000 ] - [ 0.0002909300000000, 0.0004837800000000, 0.0012907200000000 ] - [ -0.0000332900000000, -0.0001194500000000, -0.0000407900000000 ] - [ 0.0000666000000000, 0.0000939100000000, 0.0005540600000000 ] - [ -0.0003043200000000, 0.0000897600000000, -0.0003832400000000 ] - [ 0.0000571700000000, -0.0000305600000000, 0.0003380000000000 ] - [ 0.0002019100000000, -0.0001883700000000, 0.0000400900000000 ] - [ -0.0000957700000000, 0.0001146100000000, 0.0005151700000000 ] - [ -0.0000667000000000, -0.0001309100000000, 0.0004533000000000 ]- atom: 14 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001591700000000, 0.0000000000000000, 0.0049426600000000 ] - [ -0.0000940800000000, 0.0000000000000000, 0.0035495700000000 ] - [ 0.0001258400000000, 0.0000201500000000, 0.0038667700000000 ] - [ -0.0002843000000000, 0.0000000000000000, 0.0036913700000000 ] - [ 0.0001025300000000, -0.0000201400000000, 0.0038846300000000 ] - [ 0.0009494100000000, 0.0000470600000000, 0.0048134200000000 ] - [ 0.0002073200000000, 0.0000000000000000, 0.0044116100000000 ] - [ 0.0009494100000000, -0.0000470600000000, 0.0048134200000000 ] - [ -0.0002409400000000, 0.0000000000000000, 0.0043321800000000 ] - [ -0.0016207000000000, 0.0000000000000000, 0.0031387600000000 ] - [ -0.0019787700000000, -0.0006033900000000, -0.0036048100000000 ] - [ -0.0238730700000000, 0.0000000000000000, 0.0180456300000000 ] - [ -0.0001257300000000, 0.0000000000000000, 0.0074122300000000 ] - [ -0.0272377700000000, 0.0000000000000000, -0.2677691800000000 ] - [ -0.0019787700000000, 0.0006033900000000, -0.0036048100000000 ] - [ -0.0231980600000000, 0.0000000000000000, 0.0181858200000000 ] - [ -0.0020872200000000, -0.0003422400000000, -0.0035193000000000 ] - [ 0.0001714000000000, 0.0000000000000000, 0.0037760000000000 ] - [ 0.0004990200000000, -0.0000026200000000, 0.0045568400000000 ] - [ -0.0016038200000000, 0.0000000000000000, 0.0038431100000000 ] - [ -0.0020872200000000, 0.0003422400000000, -0.0035193000000000 ] - [ -0.0006662100000000, -0.0000734300000000, 0.0043339100000000 ] - [ 0.0040959800000000, 0.0000000000000000, 0.0045752200000000 ] - [ 0.0001007300000000, 0.0000000000000000, 0.0043416100000000 ] - [ 0.0001074100000000, 0.0000000000000000, 0.0047166100000000 ] - [ -0.0001199400000000, 0.0000000000000000, 0.0034520100000000 ] - [ 0.0001025300000000, 0.0000201400000000, 0.0038846300000000 ] - [ -0.0000858100000000, 0.0000000000000000, 0.0033821700000000 ] - [ 0.0001258400000000, -0.0000201500000000, 0.0038667700000000 ] - [ -0.0002992700000000, -0.0001193500000000, 0.0043775600000000 ] - [ -0.0000488500000000, 0.0000000000000000, 0.0044103100000000 ] - [ -0.0002992700000000, 0.0001193500000000, 0.0043775600000000 ] - [ -0.0002888700000000, 0.0000000000000000, 0.0041430700000000 ] - [ 0.0015170000000000, 0.0000000000000000, 0.0053740300000000 ] - [ 0.0092087400000000, 0.0194419400000000, 0.0234195500000000 ] - [ 0.0061666900000000, 0.0000000000000000, -0.0034679100000000 ] - [ 0.0007017100000000, 0.0000000000000000, 0.0017086000000000 ] - [ 0.0000234100000000, 0.0000000000000000, -0.0178842500000000 ] - [ 0.0092087400000000, -0.0194419400000000, 0.0234195500000000 ] - [ 0.0068423200000000, 0.0000000000000000, -0.0030779200000000 ] - [ 0.0095441100000000, 0.0198727200000000, 0.0236200300000000 ] - [ -0.0005580600000000, 0.0000000000000000, 0.0047267000000000 ] - [ -0.0006662100000000, 0.0000734300000000, 0.0043339100000000 ] - [ 0.0016521600000000, 0.0000000000000000, 0.0059051600000000 ] - [ 0.0095441100000000, -0.0198727200000000, 0.0236200300000000 ] - [ 0.0004990200000000, 0.0000026200000000, 0.0045568400000000 ] - [ -0.0031597200000000, 0.0000000000000000, 0.0061432300000000 ] - [ -0.0000471200000000, 0.0000000000000000, 0.0046379600000000 ] - [ 0.0021982000000000, 0.0000000000000000, 0.0026016600000000 ] - [ 0.0087694600000000, 0.0000000000000000, -0.0151286100000000 ] - [ 0.0004298600000000, 0.0000000000000000, 0.0022244500000000 ] - [ 0.0088326600000000, 0.0000000000000000, -0.0138279900000000 ] - [ -0.0022525200000000, 0.0000000000000000, 0.0034135300000000 ] - [ -0.0053181000000000, 0.0000000000000000, -0.0226854700000000 ] - [ -0.0001142300000000, 0.0000000000000000, 0.0056999100000000 ] - [ -0.0054584800000000, 0.0000000000000000, -0.0200090400000000 ] - [ -0.0003151000000000, -0.0004748200000000, -0.0024289700000000 ] - [ -0.0001461000000000, 0.0000000000000000, -0.0034738500000000 ] - [ -0.0002444100000000, 0.0004580100000000, -0.0023601600000000 ] - [ 0.0002328500000000, 0.0000000000000000, -0.0030595000000000 ] - [ -0.0005984800000000, 0.0000677700000000, -0.0028264800000000 ] - [ -0.0000495400000000, 0.0000000000000000, -0.0026869900000000 ] - [ -0.0002255100000000, 0.0000000000000000, -0.0034953800000000 ] - [ -0.0001506400000000, 0.0001566100000000, -0.0029946000000000 ] - [ -0.0007730500000000, 0.0000000000000000, -0.0029848300000000 ] - [ -0.0005984800000000, -0.0000677700000000, -0.0028264800000000 ] - [ -0.0000842800000000, 0.0000000000000000, -0.0031361200000000 ] - [ -0.0001506400000000, -0.0001566100000000, -0.0029946000000000 ] - [ -0.0032102300000000, 0.0019982700000000, -0.0030649400000000 ] - [ -0.0006525000000000, 0.0000000000000000, -0.0027979600000000 ] - [ 0.0005152300000000, 0.0000000000000000, -0.0031487900000000 ] - [ -0.0032102300000000, -0.0019982700000000, -0.0030649400000000 ] - [ 0.0001129000000000, -0.0004329600000000, -0.0017852100000000 ] - [ 0.0050766100000000, 0.0000000000000000, 0.0063945000000000 ] - [ 0.0000099000000000, 0.0000000000000000, 0.0002901900000000 ] - [ -0.0011329600000000, 0.0001702400000000, -0.0035393800000000 ] - [ -0.0028969100000000, -0.0011180600000000, 0.0064437000000000 ] - [ 0.0283080500000000, 0.0000000000000000, 0.0435425100000000 ] - [ 0.0014679000000000, 0.0000000000000000, -0.0097942700000000 ] - [ -0.0029170600000000, 0.0009239000000000, 0.0055323400000000 ] - [ 0.0015084000000000, 0.0000000000000000, -0.0086891400000000 ] - [ 0.0040504400000000, 0.0018067500000000, 0.0254706700000000 ] - [ -0.0029170600000000, -0.0009239000000000, 0.0055323400000000 ] - [ 0.0031898300000000, 0.0000000000000000, 0.0066087300000000 ] - [ 0.0004354700000000, 0.0002004200000000, -0.0018856800000000 ] - [ 0.0001600100000000, 0.0000000000000000, 0.0006600600000000 ] - [ 0.0051196300000000, 0.0000000000000000, 0.0062864900000000 ] - [ 0.0001197800000000, 0.0000000000000000, -0.0029225600000000 ] - [ 0.0039523700000000, 0.0000489400000000, -0.0013500100000000 ] - [ 0.0004354700000000, -0.0002004200000000, -0.0018856800000000 ] - [ 0.0008732900000000, 0.0000000000000000, -0.0024571800000000 ] - [ 0.0039523700000000, -0.0000489400000000, -0.0013500100000000 ] - [ 0.0007873000000000, 0.0000000000000000, -0.0020047700000000 ] - [ -0.0004207800000000, 0.0000000000000000, -0.0028547000000000 ] - [ -0.0002131200000000, 0.0006654000000000, -0.0020761300000000 ] - [ -0.0005188600000000, -0.0006098900000000, -0.0019152100000000 ] - [ -0.0002444100000000, -0.0004580100000000, -0.0023601600000000 ] - [ -0.0001483700000000, 0.0000000000000000, -0.0034146700000000 ] - [ -0.0003151000000000, 0.0004748200000000, -0.0024289700000000 ] - [ 0.0002061500000000, 0.0000000000000000, -0.0029891500000000 ] - [ -0.0003687200000000, 0.0001315700000000, -0.0029073500000000 ] - [ -0.0000313500000000, 0.0000000000000000, -0.0027369300000000 ] - [ -0.0002372600000000, 0.0000000000000000, -0.0033988100000000 ] - [ -0.0000838300000000, 0.0001505500000000, -0.0029256100000000 ] - [ 0.0002596100000000, 0.0000000000000000, -0.0031836600000000 ] - [ -0.0003687200000000, -0.0001315700000000, -0.0029073500000000 ] - [ 0.0001977200000000, 0.0000000000000000, -0.0028750800000000 ] - [ -0.0000838300000000, -0.0001505500000000, -0.0029256100000000 ] - [ 0.0038605000000000, 0.0000308900000000, -0.0016227400000000 ] - [ 0.0015018600000000, 0.0000000000000000, -0.0033630400000000 ] - [ 0.0007638500000000, 0.0000000000000000, -0.0028503400000000 ] - [ 0.0038605000000000, -0.0000308900000000, -0.0016227400000000 ] - [ -0.0011329600000000, -0.0001702400000000, -0.0035393800000000 ] - [ -0.0057451300000000, 0.0000000000000000, 0.0064414000000000 ] - [ -0.0017205300000000, 0.0000000000000000, -0.0044424200000000 ] - [ 0.0001129000000000, 0.0004329600000000, -0.0017852100000000 ] - [ 0.0040504400000000, -0.0018067500000000, 0.0254706700000000 ] - [ 0.0032152900000000, 0.0000000000000000, 0.0061357800000000 ] - [ -0.0003384400000000, 0.0000000000000000, 0.0010057100000000 ] - [ -0.0048794800000000, 0.0173210700000000, 0.0394689300000000 ] - [ -0.0002280500000000, 0.0000000000000000, 0.0017510100000000 ] - [ -0.0028969100000000, 0.0011180600000000, 0.0064437000000000 ] - [ -0.0048794800000000, -0.0173210700000000, 0.0394689300000000 ] - [ 0.0037173400000000, 0.0000000000000000, 0.0242101100000000 ] - [ -0.0003964900000000, 0.0000291200000000, -0.0033896800000000 ] - [ -0.0011056800000000, 0.0000000000000000, -0.0044022000000000 ] - [ -0.0052901900000000, 0.0000000000000000, 0.0062876400000000 ] - [ -0.0002044800000000, 0.0000000000000000, -0.0033625100000000 ] - [ -0.0032510900000000, -0.0018387300000000, -0.0027602700000000 ] - [ -0.0003964900000000, -0.0000291200000000, -0.0033896800000000 ] - [ -0.0006320700000000, 0.0000000000000000, -0.0022578400000000 ] - [ -0.0032510900000000, 0.0018387300000000, -0.0027602700000000 ] - [ 0.0005035300000000, 0.0000000000000000, -0.0022470800000000 ] - [ 0.0007888600000000, 0.0000000000000000, -0.0031827600000000 ] - [ -0.0005188600000000, 0.0006098900000000, -0.0019152100000000 ] - [ -0.0002131200000000, -0.0006654000000000, -0.0020761300000000 ]- atom: 14 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001298400000000, 0.0000000000000000, -0.0043495700000000 ] - [ -0.0000304600000000, 0.0000000000000000, -0.0043280000000000 ] - [ 0.0000343300000000, 0.0000585100000000, -0.0039403500000000 ] - [ 0.0000564700000000, 0.0000000000000000, -0.0044065200000000 ] - [ 0.0000571700000000, -0.0000585200000000, -0.0039580300000000 ] - [ -0.0009912300000000, -0.0000382300000000, -0.0048043000000000 ] - [ -0.0004064400000000, 0.0000000000000000, -0.0042495900000000 ] - [ -0.0009912300000000, 0.0000382300000000, -0.0048043000000000 ] - [ 0.0000439100000000, 0.0000000000000000, -0.0042131100000000 ] - [ 0.0016195500000000, 0.0000000000000000, -0.0031785900000000 ] - [ 0.0021711800000000, 0.0004535200000000, 0.0028797300000000 ] - [ 0.0237380400000000, 0.0000000000000000, -0.0183405000000000 ] - [ 0.0007314800000000, 0.0000000000000000, -0.0076735700000000 ] - [ 0.0277658500000000, 0.0000000000000000, 0.2676027000000000 ] - [ 0.0021711800000000, -0.0004535200000000, 0.0028797300000000 ] - [ 0.0241534500000000, 0.0000000000000000, -0.0186179400000000 ] - [ 0.0022099400000000, 0.0004291800000000, 0.0035200700000000 ] - [ -0.0004137100000000, 0.0000000000000000, -0.0031916700000000 ] - [ -0.0007138000000000, 0.0002364300000000, -0.0036101600000000 ] - [ 0.0020153900000000, 0.0000000000000000, -0.0027608200000000 ] - [ 0.0022099400000000, -0.0004291800000000, 0.0035200700000000 ] - [ 0.0004477200000000, -0.0001597000000000, -0.0033880900000000 ] - [ -0.0036972700000000, 0.0000000000000000, -0.0038295600000000 ] - [ -0.0000361500000000, 0.0000000000000000, -0.0045957000000000 ] - [ 0.0001816000000000, 0.0000000000000000, -0.0041242100000000 ] - [ -0.0000045500000000, 0.0000000000000000, -0.0042304200000000 ] - [ 0.0000571700000000, 0.0000585200000000, -0.0039580300000000 ] - [ -0.0001427800000000, 0.0000000000000000, -0.0040958000000000 ] - [ 0.0000343300000000, -0.0000585100000000, -0.0039403500000000 ] - [ 0.0002638900000000, 0.0001298300000000, -0.0043664900000000 ] - [ -0.0001489000000000, 0.0000000000000000, -0.0042483700000000 ] - [ 0.0002638900000000, -0.0001298300000000, -0.0043664900000000 ] - [ 0.0000920500000000, 0.0000000000000000, -0.0040233000000000 ] - [ -0.0015272200000000, 0.0000000000000000, -0.0054197400000000 ] - [ -0.0091356900000000, -0.0198766700000000, -0.0243969400000000 ] - [ -0.0060666200000000, 0.0000000000000000, 0.0030463400000000 ] - [ -0.0000982700000000, 0.0000000000000000, -0.0019313700000000 ] - [ 0.0000328200000000, 0.0000000000000000, 0.0172289900000000 ] - [ -0.0091356900000000, 0.0198766700000000, -0.0243969400000000 ] - [ -0.0061415900000000, 0.0000000000000000, 0.0027623600000000 ] - [ -0.0093177500000000, -0.0195200100000000, -0.0233531000000000 ] - [ 0.0003127500000000, 0.0000000000000000, -0.0041402300000000 ] - [ 0.0004477200000000, 0.0001597000000000, -0.0033880900000000 ] - [ -0.0012367200000000, 0.0000000000000000, -0.0048191100000000 ] - [ -0.0093177500000000, 0.0195200100000000, -0.0233531000000000 ] - [ -0.0007138000000000, -0.0002364300000000, -0.0036101600000000 ] - [ 0.0035507200000000, 0.0000000000000000, -0.0054059700000000 ] - [ 0.0001112600000000, 0.0000000000000000, -0.0048906000000000 ] - [ -0.0023728100000000, 0.0000000000000000, -0.0030192400000000 ] - [ -0.0087357200000000, 0.0000000000000000, 0.0151403100000000 ] - [ -0.0001651400000000, 0.0000000000000000, -0.0012039900000000 ] - [ -0.0088310200000000, 0.0000000000000000, 0.0133288300000000 ] - [ 0.0020900100000000, 0.0000000000000000, -0.0038276300000000 ] - [ 0.0054258200000000, 0.0000000000000000, 0.0227064600000000 ] - [ 0.0003771300000000, 0.0000000000000000, -0.0046623200000000 ] - [ 0.0053911100000000, 0.0000000000000000, 0.0195023800000000 ] - [ 0.0002996100000000, 0.0005487000000000, 0.0026475200000000 ] - [ -0.0000577800000000, 0.0000000000000000, 0.0029555200000000 ] - [ 0.0002291700000000, -0.0005317600000000, 0.0025789800000000 ] - [ -0.0009175600000000, 0.0000000000000000, 0.0020391200000000 ] - [ 0.0003367500000000, -0.0002952100000000, 0.0021582700000000 ] - [ -0.0003405400000000, 0.0000000000000000, 0.0027097300000000 ] - [ -0.0002138600000000, 0.0000000000000000, 0.0033677700000000 ] - [ -0.0000179200000000, -0.0001415400000000, 0.0026677500000000 ] - [ -0.0001291700000000, 0.0000000000000000, 0.0022408300000000 ] - [ 0.0003367500000000, 0.0002952100000000, 0.0021582700000000 ] - [ -0.0000780500000000, 0.0000000000000000, 0.0026804500000000 ] - [ -0.0000179200000000, 0.0001415400000000, 0.0026677500000000 ] - [ 0.0031731600000000, -0.0019141900000000, 0.0029404500000000 ] - [ 0.0010509700000000, 0.0000000000000000, 0.0026317900000000 ] - [ 0.0000635600000000, 0.0000000000000000, 0.0033679400000000 ] - [ 0.0031731600000000, 0.0019141900000000, 0.0029404500000000 ] - [ -0.0002196300000000, 0.0001344400000000, 0.0018243100000000 ] - [ -0.0051739100000000, 0.0000000000000000, -0.0062834100000000 ] - [ -0.0003721500000000, 0.0000000000000000, -0.0009847600000000 ] - [ 0.0010321800000000, 0.0001318600000000, 0.0035865000000000 ] - [ 0.0028522600000000, 0.0010321200000000, -0.0061406900000000 ] - [ -0.0303912300000000, 0.0000000000000000, -0.0457656900000000 ] - [ -0.0011393100000000, 0.0000000000000000, 0.0093894900000000 ] - [ 0.0027425000000000, -0.0009854600000000, -0.0065551400000000 ] - [ -0.0012752200000000, 0.0000000000000000, 0.0089683000000000 ] - [ -0.0044458300000000, -0.0010917400000000, -0.0243984600000000 ] - [ 0.0027425000000000, 0.0009854600000000, -0.0065551400000000 ] - [ -0.0035847400000000, 0.0000000000000000, -0.0070046000000000 ] - [ -0.0003951800000000, 0.0001242500000000, 0.0022929800000000 ] - [ 0.0006521600000000, 0.0000000000000000, -0.0003640500000000 ] - [ -0.0049952000000000, 0.0000000000000000, -0.0065485200000000 ] - [ -0.0002076100000000, 0.0000000000000000, 0.0036696000000000 ] - [ -0.0039668500000000, 0.0003309200000000, 0.0022752100000000 ] - [ -0.0003951800000000, -0.0001242500000000, 0.0022929800000000 ] - [ -0.0007349100000000, 0.0000000000000000, 0.0035647000000000 ] - [ -0.0039668500000000, -0.0003309200000000, 0.0022752100000000 ] - [ -0.0006733700000000, 0.0000000000000000, 0.0026828400000000 ] - [ 0.0008227200000000, 0.0000000000000000, 0.0029386000000000 ] - [ 0.0000750700000000, -0.0004173900000000, 0.0030414400000000 ] - [ 0.0003798500000000, 0.0003619200000000, 0.0028808700000000 ] - [ 0.0002291700000000, 0.0005317600000000, 0.0025789800000000 ] - [ -0.0000555000000000, 0.0000000000000000, 0.0028960800000000 ] - [ 0.0002996100000000, -0.0005487000000000, 0.0026475200000000 ] - [ -0.0008911900000000, 0.0000000000000000, 0.0019690300000000 ] - [ 0.0001059100000000, -0.0003594500000000, 0.0022396100000000 ] - [ -0.0003588800000000, 0.0000000000000000, 0.0027597200000000 ] - [ -0.0002021300000000, 0.0000000000000000, 0.0032718100000000 ] - [ -0.0000850100000000, -0.0001356600000000, 0.0025987200000000 ] - [ -0.0011661400000000, 0.0000000000000000, 0.0024396500000000 ] - [ 0.0001059100000000, 0.0003594500000000, 0.0022396100000000 ] - [ -0.0003612200000000, 0.0000000000000000, 0.0024181200000000 ] - [ -0.0000850100000000, 0.0001356600000000, 0.0025987200000000 ] - [ -0.0039126900000000, 0.0000598700000000, 0.0014911600000000 ] - [ -0.0011141500000000, 0.0000000000000000, 0.0032021900000000 ] - [ -0.0001865400000000, 0.0000000000000000, 0.0030682400000000 ] - [ -0.0039126900000000, -0.0000598700000000, 0.0014911600000000 ] - [ 0.0010321800000000, -0.0001318600000000, 0.0035865000000000 ] - [ 0.0056400700000000, 0.0000000000000000, -0.0063413700000000 ] - [ 0.0013458900000000, 0.0000000000000000, 0.0037394200000000 ] - [ -0.0002196300000000, -0.0001344400000000, 0.0018243100000000 ] - [ -0.0044458300000000, 0.0010917400000000, -0.0243984600000000 ] - [ -0.0029427100000000, 0.0000000000000000, -0.0066275100000000 ] - [ 0.0006826800000000, 0.0000000000000000, -0.0014513300000000 ] - [ 0.0053223300000000, -0.0184163000000000, -0.0413156900000000 ] - [ 0.0004442400000000, 0.0000000000000000, -0.0014379800000000 ] - [ 0.0028522600000000, -0.0010321200000000, -0.0061406900000000 ] - [ 0.0053223300000000, 0.0184163000000000, -0.0413156900000000 ] - [ -0.0027610900000000, 0.0000000000000000, -0.0232757600000000 ] - [ 0.0004350600000000, 0.0002928700000000, 0.0037927800000000 ] - [ 0.0019385700000000, 0.0000000000000000, 0.0047123900000000 ] - [ 0.0054175700000000, 0.0000000000000000, -0.0065431300000000 ] - [ 0.0001155500000000, 0.0000000000000000, 0.0041083300000000 ] - [ 0.0032311400000000, 0.0022171100000000, 0.0036787300000000 ] - [ 0.0004350600000000, -0.0002928700000000, 0.0037927800000000 ] - [ 0.0007648700000000, 0.0000000000000000, 0.0033680900000000 ] - [ 0.0032311400000000, -0.0022171100000000, 0.0036787300000000 ] - [ -0.0003901600000000, 0.0000000000000000, 0.0029245200000000 ] - [ -0.0003837800000000, 0.0000000000000000, 0.0032676200000000 ] - [ 0.0003798500000000, -0.0003619200000000, 0.0028808700000000 ] - [ 0.0000750700000000, 0.0004173900000000, 0.0030414400000000 ]- atom: 16 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001170000000000, 0.0000000000000000, 0.0000860900000000 ] - [ -0.0001688000000000, 0.0000000000000000, -0.0004169600000000 ] - [ -0.0001388500000000, 0.0000338100000000, -0.0002520100000000 ] - [ -0.0013343400000000, 0.0000000000000000, 0.0002252300000000 ] - [ 0.0003104100000000, -0.0000256800000000, -0.0002425400000000 ] - [ 0.0032587600000000, -0.0000642800000000, 0.0019935300000000 ] - [ 0.0007114700000000, 0.0000000000000000, 0.0000911500000000 ] - [ 0.0032587600000000, 0.0000642800000000, 0.0019935300000000 ] - [ -0.0001606600000000, 0.0000000000000000, 0.0006251800000000 ] - [ 0.0074696400000000, 0.0000000000000000, -0.0261694500000000 ] - [ 0.0328308200000000, 0.0243739800000000, -0.0051872100000000 ] - [ 0.0032175600000000, 0.0000000000000000, -0.0027143000000000 ] - [ -0.0044828000000000, 0.0000000000000000, 0.0231994900000000 ] - [ 0.0079918600000000, 0.0000000000000000, -0.0253203400000000 ] - [ 0.0328308200000000, -0.0243739800000000, -0.0051872100000000 ] - [ -0.2500059700000000, 0.0000000000000000, 0.0416813100000000 ] - [ 0.0028389800000000, 0.0005292100000000, 0.0016910300000000 ] - [ -0.0002125000000000, 0.0000000000000000, 0.0002331600000000 ] - [ -0.0003142700000000, 0.0001269800000000, 0.0002647000000000 ] - [ 0.0009919300000000, 0.0000000000000000, 0.0005235000000000 ] - [ 0.0028389800000000, -0.0005292100000000, 0.0016910300000000 ] - [ 0.0001121700000000, -0.0000989400000000, 0.0002566200000000 ] - [ -0.0009358700000000, 0.0000000000000000, 0.0008181700000000 ] - [ 0.0000087800000000, 0.0000000000000000, -0.0003513200000000 ] - [ 0.0001717900000000, 0.0000000000000000, 0.0000333200000000 ] - [ 0.0000218700000000, 0.0000000000000000, -0.0007739000000000 ] - [ 0.0003104100000000, 0.0000256800000000, -0.0002425400000000 ] - [ 0.0010311200000000, 0.0000000000000000, -0.0013443500000000 ] - [ -0.0001388500000000, -0.0000338100000000, -0.0002520100000000 ] - [ -0.0022002800000000, -0.0010144400000000, -0.0027768500000000 ] - [ -0.0009024900000000, 0.0000000000000000, -0.0005979600000000 ] - [ -0.0022002800000000, 0.0010144400000000, -0.0027768500000000 ] - [ -0.0000036300000000, 0.0000000000000000, -0.0007802600000000 ] - [ 0.0056056400000000, 0.0000000000000000, 0.0038393800000000 ] - [ 0.0304290600000000, 0.0225294300000000, -0.0044223000000000 ] - [ -0.0044437500000000, 0.0000000000000000, 0.0022597900000000 ] - [ 0.0064144800000000, 0.0000000000000000, -0.0042131900000000 ] - [ 0.0056099900000000, 0.0000000000000000, 0.0054326900000000 ] - [ 0.0304290600000000, -0.0225294300000000, -0.0044223000000000 ] - [ 0.0134853800000000, 0.0000000000000000, -0.0028862200000000 ] - [ -0.0017132700000000, 0.0001332000000000, -0.0027742200000000 ] - [ -0.0000500500000000, 0.0000000000000000, -0.0000635700000000 ] - [ 0.0001121700000000, 0.0000989400000000, 0.0002566200000000 ] - [ -0.0004844300000000, 0.0000000000000000, -0.0000226600000000 ] - [ -0.0017132700000000, -0.0001332000000000, -0.0027742200000000 ] - [ -0.0003142700000000, -0.0001269800000000, 0.0002647000000000 ] - [ 0.0011964500000000, 0.0000000000000000, -0.0004290000000000 ] - [ 0.0000548200000000, 0.0000000000000000, -0.0003846400000000 ] - [ 0.0093673400000000, 0.0000000000000000, -0.0005271600000000 ] - [ -0.0042032800000000, 0.0000000000000000, 0.0135535800000000 ] - [ 0.0000775400000000, 0.0000000000000000, 0.0008974400000000 ] - [ 0.0101662500000000, 0.0000000000000000, 0.0001061300000000 ] - [ -0.0149682800000000, 0.0000000000000000, -0.0017866800000000 ] - [ 0.0050153100000000, 0.0000000000000000, -0.0027820600000000 ] - [ 0.0001774500000000, 0.0000000000000000, -0.0001192300000000 ] - [ -0.0168823500000000, 0.0000000000000000, 0.0017042700000000 ] - [ 0.0000589000000000, 0.0000584800000000, 0.0002149900000000 ] - [ 0.0001206100000000, 0.0000000000000000, -0.0001508000000000 ] - [ -0.0000431000000000, -0.0000731200000000, 0.0002725100000000 ] - [ -0.0004397600000000, 0.0000000000000000, -0.0003994900000000 ] - [ -0.0010578400000000, -0.0003116700000000, -0.0002546200000000 ] - [ -0.0004492100000000, 0.0000000000000000, 0.0002429900000000 ] - [ -0.0002855800000000, 0.0000000000000000, 0.0000608100000000 ] - [ -0.0002643800000000, 0.0000396000000000, -0.0002676700000000 ] - [ -0.0031781000000000, 0.0000000000000000, -0.0002634000000000 ] - [ -0.0010578400000000, 0.0003116700000000, -0.0002546200000000 ] - [ -0.0005973100000000, 0.0000000000000000, -0.0011192300000000 ] - [ -0.0002643800000000, -0.0000396000000000, -0.0002676700000000 ] - [ -0.0088916900000000, 0.0020730000000000, -0.0007176000000000 ] - [ -0.0040457400000000, 0.0000000000000000, -0.0002292500000000 ] - [ -0.0001717300000000, 0.0000000000000000, -0.0013211800000000 ] - [ -0.0088916900000000, -0.0020730000000000, -0.0007176000000000 ] - [ -0.0009989700000000, 0.0007845800000000, 0.0047035500000000 ] - [ 0.0269738800000000, 0.0000000000000000, 0.0063796700000000 ] - [ -0.0108042200000000, 0.0000000000000000, 0.0058834400000000 ] - [ -0.0030618300000000, -0.0016667100000000, -0.0056892700000000 ] - [ -0.0007483100000000, -0.0013613200000000, -0.0046787000000000 ] - [ -0.0095793400000000, 0.0000000000000000, 0.0054828400000000 ] - [ 0.0263828300000000, 0.0000000000000000, 0.0018922200000000 ] - [ -0.0093828200000000, -0.0025858700000000, -0.0013395100000000 ] - [ 0.0005519000000000, 0.0000000000000000, 0.0015753800000000 ] - [ -0.0014614700000000, -0.0000250100000000, 0.0045238000000000 ] - [ -0.0093828200000000, 0.0025858700000000, -0.0013395100000000 ] - [ -0.0030547800000000, 0.0000000000000000, -0.0013203900000000 ] - [ -0.0001670700000000, 0.0001486400000000, 0.0001167000000000 ] - [ -0.0001589300000000, 0.0000000000000000, -0.0007346300000000 ] - [ -0.0029849500000000, 0.0000000000000000, -0.0004092800000000 ] - [ -0.0001060900000000, 0.0000000000000000, 0.0005108000000000 ] - [ -0.0011863500000000, 0.0001743000000000, 0.0007084600000000 ] - [ -0.0001670700000000, -0.0001486400000000, 0.0001167000000000 ] - [ -0.0001490400000000, 0.0000000000000000, 0.0007939700000000 ] - [ -0.0011863500000000, -0.0001743000000000, 0.0007084600000000 ] - [ -0.0000398600000000, 0.0000000000000000, 0.0004515900000000 ] - [ 0.0003995700000000, 0.0000000000000000, 0.0001275700000000 ] - [ -0.0000982600000000, 0.0000860900000000, 0.0006434700000000 ] - [ -0.0000049100000000, -0.0001033200000000, 0.0005886100000000 ] - [ -0.0000431000000000, 0.0000731200000000, 0.0002725100000000 ] - [ -0.0003104900000000, 0.0000000000000000, 0.0000309400000000 ] - [ 0.0000589000000000, -0.0000584800000000, 0.0002149900000000 ] - [ -0.0003095100000000, 0.0000000000000000, -0.0003524100000000 ] - [ 0.0008931800000000, 0.0001711800000000, 0.0000931900000000 ] - [ 0.0000855400000000, 0.0000000000000000, 0.0000586100000000 ] - [ -0.0001527700000000, 0.0000000000000000, 0.0001587600000000 ] - [ 0.0000707500000000, -0.0000123100000000, 0.0002192000000000 ] - [ 0.0020147700000000, 0.0000000000000000, 0.0021168900000000 ] - [ 0.0008931800000000, -0.0001711800000000, 0.0000931900000000 ] - [ 0.0001508800000000, 0.0000000000000000, 0.0010968300000000 ] - [ 0.0000707500000000, 0.0000123100000000, 0.0002192000000000 ] - [ 0.0340400300000000, -0.0185780500000000, -0.0110299100000000 ] - [ 0.0080528800000000, 0.0000000000000000, 0.0007928000000000 ] - [ 0.0006644500000000, 0.0000000000000000, 0.0011707400000000 ] - [ 0.0340400300000000, 0.0185780500000000, -0.0110299100000000 ] - [ -0.0030618300000000, 0.0016667100000000, -0.0056892700000000 ] - [ -0.0075721600000000, 0.0000000000000000, 0.0006020900000000 ] - [ 0.0001219700000000, 0.0000000000000000, -0.0044996700000000 ] - [ -0.0009989700000000, -0.0007845800000000, 0.0047035500000000 ] - [ -0.0014614700000000, 0.0000250100000000, 0.0045238000000000 ] - [ -0.0002652100000000, 0.0000000000000000, -0.0055570200000000 ] - [ -0.0068036600000000, 0.0000000000000000, 0.0014007600000000 ] - [ 0.0238022700000000, 0.0027212300000000, -0.0005573000000000 ] - [ -0.0005063200000000, 0.0000000000000000, -0.0016059200000000 ] - [ -0.0007483100000000, 0.0013613200000000, -0.0046787000000000 ] - [ 0.0238022700000000, -0.0027212300000000, -0.0005573000000000 ] - [ 0.0049326500000000, 0.0000000000000000, 0.0026151200000000 ] - [ 0.0001870400000000, 0.0001680200000000, 0.0005675500000000 ] - [ 0.0007230600000000, 0.0000000000000000, 0.0013171900000000 ] - [ 0.0038640200000000, 0.0000000000000000, 0.0025834800000000 ] - [ 0.0000161800000000, 0.0000000000000000, 0.0005981000000000 ] - [ 0.0013250000000000, 0.0000558800000000, 0.0008005200000000 ] - [ 0.0001870400000000, -0.0001680200000000, 0.0005675500000000 ] - [ 0.0002959800000000, 0.0000000000000000, 0.0006270800000000 ] - [ 0.0013250000000000, -0.0000558800000000, 0.0008005200000000 ] - [ 0.0000858800000000, 0.0000000000000000, 0.0004878400000000 ] - [ 0.0000158800000000, 0.0000000000000000, 0.0003400900000000 ] - [ -0.0000049100000000, 0.0001033200000000, 0.0005886100000000 ] - [ -0.0000982600000000, -0.0000860900000000, 0.0006434700000000 ]- atom: 16 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001720300000000, 0.0000000000000000, 0.0005043900000000 ] - [ 0.0000449900000000, 0.0000000000000000, -0.0003621700000000 ] - [ 0.0002989300000000, 0.0000451200000000, 0.0001786000000000 ] - [ 0.0011096400000000, 0.0000000000000000, -0.0009384700000000 ] - [ -0.0001509500000000, -0.0000532400000000, 0.0001685600000000 ] - [ -0.0032983600000000, 0.0000718400000000, -0.0019876100000000 ] - [ -0.0009111200000000, 0.0000000000000000, 0.0000704600000000 ] - [ -0.0032983600000000, -0.0000718400000000, -0.0019876100000000 ] - [ -0.0000356900000000, 0.0000000000000000, -0.0005062800000000 ] - [ -0.0075294200000000, 0.0000000000000000, 0.0259818100000000 ] - [ -0.0323066100000000, -0.0241627500000000, 0.0044215300000000 ] - [ -0.0031165300000000, 0.0000000000000000, 0.0022975200000000 ] - [ 0.0050859700000000, 0.0000000000000000, -0.0234722700000000 ] - [ -0.0078784900000000, 0.0000000000000000, 0.0248090000000000 ] - [ -0.0323066100000000, 0.0241627500000000, 0.0044215300000000 ] - [ 0.2507232100000000, 0.0000000000000000, -0.0416708500000000 ] - [ -0.0027208200000000, -0.0004438500000000, -0.0016796800000000 ] - [ -0.0000306900000000, 0.0000000000000000, 0.0003538700000000 ] - [ 0.0000968200000000, 0.0001074800000000, 0.0006825400000000 ] - [ -0.0005770800000000, 0.0000000000000000, 0.0005686700000000 ] - [ -0.0027208200000000, 0.0004438500000000, -0.0016796800000000 ] - [ -0.0003291400000000, -0.0001355000000000, 0.0006910900000000 ] - [ 0.0013266600000000, 0.0000000000000000, -0.0000598200000000 ] - [ 0.0000554100000000, 0.0000000000000000, 0.0000980100000000 ] - [ 0.0001169600000000, 0.0000000000000000, 0.0005573500000000 ] - [ -0.0001466100000000, 0.0000000000000000, -0.0000043700000000 ] - [ -0.0001509500000000, 0.0000532400000000, 0.0001685600000000 ] - [ -0.0012623500000000, 0.0000000000000000, 0.0006317300000000 ] - [ 0.0002989300000000, -0.0000451200000000, 0.0001786000000000 ] - [ 0.0021593300000000, 0.0010228000000000, 0.0027961000000000 ] - [ 0.0007043600000000, 0.0000000000000000, 0.0007631200000000 ] - [ 0.0021593300000000, -0.0010228000000000, 0.0027961000000000 ] - [ -0.0001942500000000, 0.0000000000000000, 0.0009020800000000 ] - [ -0.0056109000000000, 0.0000000000000000, -0.0039024700000000 ] - [ -0.0305271000000000, -0.0229875100000000, 0.0037178000000000 ] - [ 0.0045263200000000, 0.0000000000000000, -0.0026758400000000 ] - [ -0.0058300600000000, 0.0000000000000000, 0.0039849900000000 ] - [ -0.0055533400000000, 0.0000000000000000, -0.0060720500000000 ] - [ -0.0305271000000000, 0.0229875100000000, 0.0037178000000000 ] - [ -0.0127756000000000, 0.0000000000000000, 0.0025628500000000 ] - [ 0.0018316300000000, -0.0000487100000000, 0.0027719000000000 ] - [ -0.0001923600000000, 0.0000000000000000, 0.0006498900000000 ] - [ -0.0003291400000000, 0.0001355000000000, 0.0006910900000000 ] - [ 0.0008980700000000, 0.0000000000000000, 0.0011121700000000 ] - [ 0.0018316300000000, 0.0000487100000000, 0.0027719000000000 ] - [ 0.0000968200000000, -0.0001074800000000, 0.0006825400000000 ] - [ -0.0007998500000000, 0.0000000000000000, 0.0011869800000000 ] - [ 0.0000095800000000, 0.0000000000000000, 0.0001311600000000 ] - [ -0.0095134000000000, 0.0000000000000000, 0.0000889700000000 ] - [ 0.0042448400000000, 0.0000000000000000, -0.0135059900000000 ] - [ 0.0001855600000000, 0.0000000000000000, 0.0001272100000000 ] - [ -0.0102105500000000, 0.0000000000000000, -0.0006114000000000 ] - [ 0.0148288400000000, 0.0000000000000000, 0.0014031700000000 ] - [ -0.0049356300000000, 0.0000000000000000, 0.0028157600000000 ] - [ 0.0000867600000000, 0.0000000000000000, 0.0011418300000000 ] - [ 0.0168290600000000, 0.0000000000000000, -0.0022750900000000 ] - [ -0.0000743700000000, 0.0000159300000000, 0.0000027500000000 ] - [ -0.0003251300000000, 0.0000000000000000, -0.0003701600000000 ] - [ 0.0000279700000000, -0.0000012100000000, -0.0000548000000000 ] - [ -0.0002456500000000, 0.0000000000000000, -0.0006213800000000 ] - [ 0.0007988700000000, 0.0000856800000000, -0.0004124500000000 ] - [ 0.0000607600000000, 0.0000000000000000, -0.0002211400000000 ] - [ -0.0001539200000000, 0.0000000000000000, -0.0001882100000000 ] - [ 0.0000952500000000, -0.0000237000000000, -0.0000597600000000 ] - [ 0.0022755700000000, 0.0000000000000000, -0.0004728100000000 ] - [ 0.0007988700000000, -0.0000856800000000, -0.0004124500000000 ] - [ 0.0004309600000000, 0.0000000000000000, 0.0006656500000000 ] - [ 0.0000952500000000, 0.0000237000000000, -0.0000597600000000 ] - [ 0.0088431000000000, -0.0019943900000000, 0.0006066500000000 ] - [ 0.0044453200000000, 0.0000000000000000, 0.0000685500000000 ] - [ 0.0007491200000000, 0.0000000000000000, 0.0015419000000000 ] - [ 0.0088431000000000, 0.0019943900000000, 0.0006066500000000 ] - [ 0.0009099200000000, -0.0010776400000000, -0.0046661300000000 ] - [ -0.0247122100000000, 0.0000000000000000, -0.0047971100000000 ] - [ 0.0104247600000000, 0.0000000000000000, -0.0065249400000000 ] - [ 0.0029596500000000, 0.0019609600000000, 0.0057386900000000 ] - [ 0.0007073300000000, 0.0012746900000000, 0.0049742600000000 ] - [ 0.0098564200000000, 0.0000000000000000, -0.0060163700000000 ] - [ -0.0283876200000000, 0.0000000000000000, -0.0037734700000000 ] - [ 0.0092063700000000, 0.0025226600000000, 0.0003091500000000 ] - [ -0.0003345400000000, 0.0000000000000000, -0.0012615100000000 ] - [ 0.0014037600000000, 0.0001055900000000, -0.0042138600000000 ] - [ 0.0092063700000000, -0.0025226600000000, 0.0003091500000000 ] - [ 0.0026640100000000, 0.0000000000000000, 0.0009174900000000 ] - [ 0.0002074400000000, 0.0001768800000000, 0.0002870100000000 ] - [ 0.0009743500000000, 0.0000000000000000, 0.0010237200000000 ] - [ 0.0031123100000000, 0.0000000000000000, 0.0001322600000000 ] - [ 0.0000174700000000, 0.0000000000000000, 0.0002342000000000 ] - [ 0.0011719100000000, 0.0001988500000000, 0.0002018100000000 ] - [ 0.0002074400000000, -0.0001768800000000, 0.0002870100000000 ] - [ 0.0002819100000000, 0.0000000000000000, 0.0003140000000000 ] - [ 0.0011719100000000, -0.0001988500000000, 0.0002018100000000 ] - [ 0.0001533600000000, 0.0000000000000000, 0.0002254200000000 ] - [ 0.0000044500000000, 0.0000000000000000, -0.0000463200000000 ] - [ -0.0000405300000000, 0.0001618800000000, 0.0003213800000000 ] - [ -0.0001333800000000, -0.0001446100000000, 0.0003763400000000 ] - [ 0.0000279700000000, 0.0000012100000000, -0.0000548000000000 ] - [ 0.0001071900000000, 0.0000000000000000, -0.0005516400000000 ] - [ -0.0000743700000000, -0.0000159300000000, 0.0000027500000000 ] - [ -0.0003759900000000, 0.0000000000000000, -0.0006687100000000 ] - [ -0.0011561000000000, -0.0003977500000000, -0.0007638400000000 ] - [ -0.0004754800000000, 0.0000000000000000, -0.0000370300000000 ] - [ -0.0002867400000000, 0.0000000000000000, -0.0002863800000000 ] - [ -0.0002399200000000, 0.0000282000000000, -0.0005479700000000 ] - [ -0.0029178100000000, 0.0000000000000000, -0.0028689300000000 ] - [ -0.0011561000000000, 0.0003977500000000, -0.0007638400000000 ] - [ -0.0003142900000000, 0.0000000000000000, -0.0015552200000000 ] - [ -0.0002399200000000, -0.0000282000000000, -0.0005479700000000 ] - [ -0.0337808600000000, 0.0179748800000000, 0.0103785500000000 ] - [ -0.0076676500000000, 0.0000000000000000, -0.0009659600000000 ] - [ -0.0000857400000000, 0.0000000000000000, -0.0009549300000000 ] - [ -0.0337808600000000, -0.0179748800000000, 0.0103785500000000 ] - [ 0.0029596500000000, -0.0019609600000000, 0.0057386900000000 ] - [ 0.0074406200000000, 0.0000000000000000, -0.0004946200000000 ] - [ -0.0005068900000000, 0.0000000000000000, 0.0038044200000000 ] - [ 0.0009099200000000, 0.0010776400000000, -0.0046661300000000 ] - [ 0.0014037600000000, -0.0001055900000000, -0.0042138600000000 ] - [ 0.0005530900000000, 0.0000000000000000, 0.0050759300000000 ] - [ 0.0071720000000000, 0.0000000000000000, -0.0018291500000000 ] - [ -0.0243278900000000, -0.0031762400000000, -0.0000810600000000 ] - [ 0.0007255900000000, 0.0000000000000000, 0.0019140400000000 ] - [ 0.0007073300000000, -0.0012746900000000, 0.0049742600000000 ] - [ -0.0243278900000000, 0.0031762400000000, -0.0000810600000000 ] - [ -0.0053154200000000, 0.0000000000000000, -0.0030035800000000 ] - [ -0.0001464500000000, 0.0001576200000000, -0.0001628800000000 ] - [ 0.0000901100000000, 0.0000000000000000, -0.0010238000000000 ] - [ -0.0037292600000000, 0.0000000000000000, -0.0028441200000000 ] - [ -0.0001044900000000, 0.0000000000000000, 0.0001474100000000 ] - [ -0.0013341100000000, 0.0003167400000000, 0.0001128800000000 ] - [ -0.0001464500000000, -0.0001576200000000, -0.0001628800000000 ] - [ -0.0001623800000000, 0.0000000000000000, 0.0004811900000000 ] - [ -0.0013341100000000, -0.0003167400000000, 0.0001128800000000 ] - [ 0.0000276000000000, 0.0000000000000000, 0.0001894600000000 ] - [ 0.0003866200000000, 0.0000000000000000, -0.0002591200000000 ] - [ -0.0001333800000000, 0.0001446100000000, 0.0003763400000000 ] - [ -0.0000405300000000, -0.0001618800000000, 0.0003213800000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001445900000000, 0.0000039600000000, 0.0002948700000000 ] - [ -0.0000621700000000, -0.0000124200000000, -0.0003886800000000 ] - [ 0.0000719200000000, 0.0000398300000000, -0.0000454900000000 ] - [ -0.0001142700000000, 0.0001002100000000, -0.0003563200000000 ] - [ 0.0000875100000000, -0.0000388200000000, -0.0000264400000000 ] - [ -0.0002297900000000, 0.0000140100000000, -0.0000466500000000 ] - [ -0.0000995800000000, -0.0001307900000000, 0.0000825500000000 ] - [ 0.0001902900000000, 0.0000061100000000, 0.0000589300000000 ] - [ -0.0000986700000000, 0.0000222000000000, 0.0000606100000000 ] - [ -0.0000225400000000, -0.0240426600000000, -0.0000064200000000 ] - [ 0.0258745800000000, 0.0038545900000000, 0.0072298400000000 ] - [ 0.0000476300000000, -0.0018685900000000, -0.0002093900000000 ] - [ 0.0003104600000000, -0.0013989500000000, -0.0000823800000000 ] - [ 0.0000578300000000, -0.0253007400000000, -0.0003611500000000 ] - [ -0.0255389400000000, 0.0040918000000000, -0.0079940600000000 ] - [ -0.0004285600000000, -0.1975373700000000, 0.0006374800000000 ] - [ 0.0002254600000000, 0.0000401700000000, 0.0000724700000000 ] - [ -0.0001210400000000, -0.0000157600000000, 0.0002942100000000 ] - [ -0.0001166800000000, 0.0001181200000000, 0.0004675400000000 ] - [ 0.0002072700000000, -0.0001688300000000, 0.0005462800000000 ] - [ -0.0001072800000000, -0.0000449000000000, -0.0000651700000000 ] - [ -0.0000993800000000, -0.0001169700000000, 0.0004839400000000 ] - [ 0.0001968700000000, 0.0001044400000000, 0.0003802000000000 ] - [ 0.0000321600000000, 0.0000037900000000, -0.0001253700000000 ] - [ 0.0001446000000000, 0.0000033400000000, 0.0002948200000000 ] - [ -0.0000621100000000, -0.0000126000000000, -0.0003885700000000 ] - [ 0.0000722200000000, 0.0000398900000000, -0.0000457400000000 ] - [ -0.0001147400000000, 0.0002815100000000, -0.0003553900000000 ] - [ 0.0000880900000000, -0.0000389900000000, -0.0000267900000000 ] - [ -0.0011705000000000, -0.0000727900000000, -0.0013680100000000 ] - [ -0.0000988600000000, -0.0001010300000000, 0.0000822000000000 ] - [ 0.0011374200000000, -0.0000760800000000, 0.0013826300000000 ] - [ -0.0000984400000000, 0.0000243000000000, 0.0000612700000000 ] - [ -0.0000259000000000, -0.0008259300000000, -0.0000457900000000 ] - [ 0.0242926700000000, 0.0038916100000000, 0.0071286600000000 ] - [ 0.0000469100000000, -0.0001498800000000, -0.0002070000000000 ] - [ 0.0002948200000000, 0.0035666000000000, -0.0001093400000000 ] - [ 0.0000466900000000, -0.0008916500000000, -0.0003129100000000 ] - [ -0.0242440100000000, 0.0039360500000000, -0.0078497100000000 ] - [ 0.0003519900000000, -0.0011622200000000, -0.0001643700000000 ] - [ 0.0010354300000000, 0.0000084300000000, 0.0015989000000000 ] - [ -0.0001211200000000, -0.0000117400000000, 0.0002941300000000 ] - [ -0.0001180200000000, 0.0001180600000000, 0.0004652000000000 ] - [ 0.0002067100000000, -0.0000950400000000, 0.0005463900000000 ] - [ -0.0009222800000000, -0.0000752200000000, -0.0015938800000000 ] - [ -0.0001008800000000, -0.0001168100000000, 0.0004816800000000 ] - [ 0.0001971400000000, 0.0002789600000000, 0.0003797100000000 ] - [ 0.0000321200000000, 0.0000029800000000, -0.0001252500000000 ] - [ -0.0000811100000000, 0.0003179500000000, -0.0002146000000000 ] - [ 0.0000238400000000, -0.0021434900000000, 0.0000013200000000 ] - [ 0.0001319500000000, 0.0000093800000000, 0.0005122100000000 ] - [ -0.0000162200000000, 0.0004094400000000, -0.0002586500000000 ] - [ -0.0000502900000000, 0.0217099200000000, -0.0003017000000000 ] - [ 0.0000378500000000, 0.0023987400000000, 0.0000143800000000 ] - [ 0.0001318600000000, 0.0000107200000000, 0.0005119900000000 ] - [ -0.0000400200000000, 0.0251716000000000, -0.0001484000000000 ] - [ -0.0000058400000000, 0.0000365900000000, 0.0001041500000000 ] - [ -0.0001018800000000, -0.0000139100000000, -0.0002609100000000 ] - [ -0.0000088700000000, -0.0000377000000000, 0.0001102800000000 ] - [ -0.0003428500000000, -0.0000027700000000, -0.0005119700000000 ] - [ -0.0000036400000000, -0.0000767400000000, -0.0004816500000000 ] - [ -0.0001945300000000, 0.0000160800000000, 0.0000095200000000 ] - [ -0.0002197400000000, 0.0000028100000000, -0.0000651800000000 ] - [ -0.0000696900000000, 0.0000139700000000, -0.0001942800000000 ] - [ -0.0004512900000000, 0.0001532800000000, -0.0003719000000000 ] - [ -0.0002564900000000, 0.0001497300000000, -0.0001881800000000 ] - [ -0.0000814500000000, -0.0000126400000000, -0.0002287800000000 ] - [ -0.0000990000000000, -0.0000020400000000, -0.0001356500000000 ] - [ -0.0004817000000000, 0.0003439700000000, -0.0000692400000000 ] - [ 0.0001980800000000, -0.0002038700000000, -0.0000801800000000 ] - [ 0.0002891600000000, 0.0000178100000000, 0.0001085600000000 ] - [ 0.0004452800000000, 0.0002412500000000, -0.0000455200000000 ] - [ 0.0021760800000000, -0.0012042800000000, -0.0042341900000000 ] - [ -0.0001588800000000, 0.0224185100000000, -0.0000151300000000 ] - [ -0.0001973000000000, 0.0078529500000000, -0.0003520400000000 ] - [ -0.0000146800000000, 0.0002257200000000, 0.0005050700000000 ] - [ -0.0000990400000000, 0.0000205200000000, 0.0004403300000000 ] - [ 0.0001484600000000, 0.0077438500000000, -0.0002337800000000 ] - [ 0.0002689300000000, 0.0200808600000000, -0.0001579500000000 ] - [ 0.0005749300000000, 0.0004000700000000, -0.0005824300000000 ] - [ 0.0001097500000000, 0.0005118100000000, 0.0001566400000000 ] - [ 0.0019867300000000, 0.0008520300000000, -0.0035395900000000 ] - [ -0.0007597200000000, 0.0004421000000000, -0.0004347200000000 ] - [ -0.0001944700000000, -0.0000831700000000, -0.0001991900000000 ] - [ 0.0000047800000000, 0.0001737800000000, 0.0002338000000000 ] - [ 0.0004065700000000, 0.0000070900000000, 0.0001455000000000 ] - [ 0.0000634000000000, 0.0002340200000000, -0.0001352500000000 ] - [ -0.0000442900000000, 0.0000033700000000, 0.0003721600000000 ] - [ -0.0002602600000000, 0.0002112900000000, 0.0007398500000000 ] - [ 0.0000358800000000, -0.0001522500000000, 0.0001693000000000 ] - [ 0.0000664200000000, 0.0000246200000000, 0.0005536700000000 ] - [ 0.0002477600000000, -0.0001607900000000, 0.0001720100000000 ] - [ 0.0000571600000000, -0.0000031300000000, 0.0003376500000000 ] - [ 0.0002017800000000, -0.0000147100000000, 0.0000397400000000 ] - [ -0.0000700100000000, 0.0001238000000000, 0.0004842300000000 ] - [ -0.0000676100000000, -0.0001252900000000, 0.0004777300000000 ] - [ -0.0000063200000000, 0.0000367900000000, 0.0001047900000000 ] - [ -0.0001019200000000, -0.0000122200000000, -0.0002610900000000 ] - [ -0.0000092800000000, -0.0000379200000000, 0.0001109400000000 ] - [ -0.0003429100000000, -0.0000031200000000, -0.0005119700000000 ] - [ -0.0001863200000000, -0.0001134300000000, -0.0004914000000000 ] - [ -0.0001947700000000, 0.0000175300000000, 0.0000097300000000 ] - [ -0.0002197400000000, 0.0000030900000000, -0.0000651000000000 ] - [ -0.0000837300000000, 0.0000126300000000, -0.0001940600000000 ] - [ -0.0004570400000000, -0.0021787300000000, -0.0003685500000000 ] - [ -0.0000752200000000, 0.0001127800000000, -0.0001778300000000 ] - [ -0.0000829000000000, -0.0002575300000000, -0.0002289600000000 ] - [ -0.0000855700000000, -0.0000032300000000, -0.0001362200000000 ] - [ -0.0137940600000000, 0.0480569300000000, 0.0197879700000000 ] - [ 0.0002032400000000, 0.0036583600000000, -0.0000821500000000 ] - [ 0.0002889400000000, 0.0002815200000000, 0.0001070200000000 ] - [ 0.0152039900000000, 0.0498387000000000, -0.0215589500000000 ] - [ -0.0000916800000000, -0.0000555700000000, -0.0004596400000000 ] - [ -0.0000575000000000, -0.0037273900000000, 0.0000494400000000 ] - [ -0.0001307400000000, -0.0077245800000000, -0.0003249400000000 ] - [ -0.0022783400000000, -0.0009129900000000, 0.0042657400000000 ] - [ -0.0020332200000000, 0.0007704700000000, 0.0038492700000000 ] - [ 0.0000924300000000, -0.0069543100000000, -0.0002578000000000 ] - [ 0.0001816900000000, -0.0038697800000000, -0.0002096000000000 ] - [ -0.0018163300000000, 0.0228258700000000, -0.0011439200000000 ] - [ 0.0001092700000000, 0.0000228600000000, 0.0001555000000000 ] - [ 0.0000561900000000, 0.0000976600000000, -0.0001407300000000 ] - [ 0.0009481300000000, 0.0239102600000000, 0.0009993900000000 ] - [ -0.0001975900000000, 0.0039501400000000, -0.0002011600000000 ] - [ 0.0000199000000000, 0.0001691900000000, 0.0002254300000000 ] - [ 0.0004075800000000, -0.0002321200000000, 0.0001459100000000 ] - [ 0.0000693500000000, -0.0018772300000000, -0.0001358500000000 ] - [ -0.0000441400000000, 0.0000026900000000, 0.0003722300000000 ] - [ 0.0000844700000000, 0.0001937400000000, 0.0006599300000000 ] - [ 0.0000210300000000, -0.0001568100000000, 0.0001777200000000 ] - [ 0.0000665000000000, 0.0000193700000000, 0.0005535000000000 ] - [ -0.0000954400000000, -0.0001785700000000, 0.0002509800000000 ] - [ 0.0000572000000000, -0.0000024400000000, 0.0003376800000000 ] - [ 0.0002017300000000, -0.0000180700000000, 0.0000397400000000 ] - [ -0.0000713200000000, 0.0001233600000000, 0.0004850700000000 ] - [ -0.0000689200000000, -0.0001249000000000, 0.0004786600000000 ]- atom: 16 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001837600000000, 0.0000000000000000, 0.0037959800000000 ] - [ 0.0000576600000000, 0.0000000000000000, 0.0025323300000000 ] - [ 0.0001764800000000, 0.0000185700000000, 0.0030941500000000 ] - [ 0.0008248300000000, 0.0000000000000000, 0.0029658600000000 ] - [ 0.0000272300000000, -0.0000083400000000, 0.0028820100000000 ] - [ 0.0013968000000000, 0.0000311200000000, 0.0021599800000000 ] - [ -0.0000022100000000, 0.0000000000000000, 0.0028782100000000 ] - [ 0.0013968000000000, -0.0000311200000000, 0.0021599800000000 ] - [ 0.0000718600000000, 0.0000000000000000, 0.0029782600000000 ] - [ -0.0233204000000000, 0.0000000000000000, 0.0160899600000000 ] - [ -0.0001244400000000, 0.0111549300000000, -0.0318899500000000 ] - [ -0.0019795700000000, 0.0000000000000000, 0.0019655900000000 ] - [ 0.0104264800000000, 0.0000000000000000, 0.0160303700000000 ] - [ -0.0239618400000000, 0.0000000000000000, 0.0181563500000000 ] - [ -0.0001244400000000, -0.0111549300000000, -0.0318899500000000 ] - [ 0.0056520200000000, 0.0000000000000000, -0.1932356900000000 ] - [ 0.0011362000000000, 0.0001651100000000, 0.0015992900000000 ] - [ 0.0000051400000000, 0.0000000000000000, 0.0033107200000000 ] - [ -0.0000532800000000, 0.0000862300000000, 0.0036338400000000 ] - [ 0.0002133100000000, 0.0000000000000000, 0.0037198100000000 ] - [ 0.0011362000000000, -0.0001651100000000, 0.0015992900000000 ] - [ -0.0001612000000000, -0.0001107500000000, 0.0034598200000000 ] - [ 0.0010443800000000, 0.0000000000000000, 0.0038875000000000 ] - [ 0.0000662900000000, 0.0000000000000000, 0.0034507700000000 ] - [ 0.0000927200000000, 0.0000000000000000, 0.0037893400000000 ] - [ -0.0002540900000000, 0.0000000000000000, 0.0026787000000000 ] - [ 0.0000272300000000, 0.0000083400000000, 0.0028820100000000 ] - [ -0.0008753900000000, 0.0000000000000000, 0.0023274200000000 ] - [ 0.0001764800000000, -0.0000185700000000, 0.0030941500000000 ] - [ -0.0019296400000000, -0.0017099700000000, 0.0052674700000000 ] - [ -0.0000998700000000, 0.0000000000000000, 0.0038744300000000 ] - [ -0.0019296400000000, 0.0017099700000000, 0.0052674700000000 ] - [ -0.0004861900000000, 0.0000000000000000, 0.0036589700000000 ] - [ 0.0030276800000000, 0.0000000000000000, -0.0036872800000000 ] - [ 0.0006356900000000, 0.0104893800000000, -0.0327606100000000 ] - [ 0.0015177000000000, 0.0000000000000000, 0.0026532200000000 ] - [ -0.0032045400000000, 0.0000000000000000, -0.0015353000000000 ] - [ 0.0026800500000000, 0.0000000000000000, -0.0027009300000000 ] - [ 0.0006356900000000, -0.0104893800000000, -0.0327606100000000 ] - [ -0.0004638800000000, 0.0000000000000000, -0.0135791400000000 ] - [ -0.0014271100000000, 0.0015926600000000, 0.0048536100000000 ] - [ -0.0002715400000000, 0.0000000000000000, 0.0034142100000000 ] - [ -0.0001612000000000, 0.0001107500000000, 0.0034598200000000 ] - [ 0.0000520700000000, 0.0000000000000000, 0.0045284100000000 ] - [ -0.0014271100000000, -0.0015926600000000, 0.0048536100000000 ] - [ -0.0000532800000000, -0.0000862300000000, 0.0036338400000000 ] - [ -0.0004409100000000, 0.0000000000000000, 0.0033712900000000 ] - [ -0.0000128300000000, 0.0000000000000000, 0.0034195800000000 ] - [ 0.0016048500000000, 0.0000000000000000, -0.0027097600000000 ] - [ 0.0079480000000000, 0.0000000000000000, 0.0121944000000000 ] - [ 0.0002907700000000, 0.0000000000000000, 0.0027986400000000 ] - [ 0.0016298400000000, 0.0000000000000000, -0.0032696600000000 ] - [ 0.0021758100000000, 0.0000000000000000, 0.0028659100000000 ] - [ -0.0031628800000000, 0.0000000000000000, 0.0000642300000000 ] - [ -0.0000047300000000, 0.0000000000000000, 0.0031600400000000 ] - [ 0.0036291300000000, 0.0000000000000000, -0.0008011100000000 ] - [ -0.0002844400000000, -0.0003520000000000, -0.0018429800000000 ] - [ -0.0003213300000000, 0.0000000000000000, -0.0028179900000000 ] - [ -0.0001530900000000, 0.0003461800000000, -0.0018066600000000 ] - [ 0.0000982800000000, 0.0000000000000000, -0.0024079300000000 ] - [ -0.0000802700000000, 0.0000527300000000, -0.0016918100000000 ] - [ 0.0001426000000000, 0.0000000000000000, -0.0020431800000000 ] - [ -0.0002042000000000, 0.0000000000000000, -0.0026259400000000 ] - [ -0.0001519700000000, 0.0001040500000000, -0.0021441100000000 ] - [ -0.0010343300000000, 0.0000000000000000, -0.0006040800000000 ] - [ -0.0000802700000000, -0.0000527300000000, -0.0016918100000000 ] - [ -0.0005660300000000, 0.0000000000000000, -0.0018001900000000 ] - [ -0.0001519700000000, -0.0001040500000000, -0.0021441100000000 ] - [ -0.0033735200000000, 0.0020730300000000, 0.0061227800000000 ] - [ -0.0001358300000000, 0.0000000000000000, 0.0004616500000000 ] - [ 0.0001118700000000, 0.0000000000000000, -0.0017484200000000 ] - [ -0.0033735200000000, -0.0020730300000000, 0.0061227800000000 ] - [ 0.0027861500000000, -0.0010535400000000, -0.0007722600000000 ] - [ 0.0077666200000000, 0.0000000000000000, 0.0372771600000000 ] - [ 0.0045763100000000, 0.0000000000000000, 0.0113318700000000 ] - [ -0.0031834700000000, -0.0018198100000000, -0.0016111700000000 ] - [ -0.0019383300000000, -0.0012092200000000, -0.0010536900000000 ] - [ 0.0060769900000000, 0.0000000000000000, 0.0103808300000000 ] - [ 0.0047128600000000, 0.0000000000000000, 0.0329744600000000 ] - [ -0.0036236700000000, -0.0021284500000000, 0.0050146900000000 ] - [ 0.0011431600000000, 0.0000000000000000, -0.0027468700000000 ] - [ 0.0026825000000000, 0.0000060400000000, -0.0016874100000000 ] - [ -0.0036236700000000, 0.0021284500000000, 0.0050146900000000 ] - [ -0.0005552500000000, 0.0000000000000000, 0.0001450800000000 ] - [ -0.0000079100000000, 0.0001629700000000, -0.0018399800000000 ] - [ 0.0000331300000000, 0.0000000000000000, -0.0015119600000000 ] - [ 0.0000845700000000, 0.0000000000000000, -0.0003400900000000 ] - [ -0.0000335900000000, 0.0000000000000000, -0.0022770300000000 ] - [ 0.0004081700000000, 0.0002605100000000, -0.0011698900000000 ] - [ -0.0000079100000000, -0.0001629700000000, -0.0018399800000000 ] - [ 0.0001870600000000, 0.0000000000000000, -0.0015363000000000 ] - [ 0.0004081700000000, -0.0002605100000000, -0.0011698900000000 ] - [ 0.0005262200000000, 0.0000000000000000, -0.0015411700000000 ] - [ 0.0000558800000000, 0.0000000000000000, -0.0025393100000000 ] - [ -0.0002430800000000, 0.0005305400000000, -0.0014149200000000 ] - [ -0.0003625200000000, -0.0005329700000000, -0.0014571900000000 ] - [ -0.0001530900000000, -0.0003461800000000, -0.0018066600000000 ] - [ 0.0000266800000000, 0.0000000000000000, -0.0025933900000000 ] - [ -0.0002844400000000, 0.0003520000000000, -0.0018429800000000 ] - [ 0.0000814000000000, 0.0000000000000000, -0.0024864100000000 ] - [ -0.0007797100000000, 0.0002531800000000, -0.0030253000000000 ] - [ -0.0002762700000000, 0.0000000000000000, -0.0022025500000000 ] - [ -0.0002481000000000, 0.0000000000000000, -0.0027360700000000 ] - [ -0.0000534900000000, 0.0001583500000000, -0.0024873300000000 ] - [ 0.0002037900000000, 0.0000000000000000, -0.0035809200000000 ] - [ -0.0007797100000000, -0.0002531800000000, -0.0030253000000000 ] - [ 0.0006416900000000, 0.0000000000000000, -0.0025410800000000 ] - [ -0.0000534900000000, -0.0001583500000000, -0.0024873300000000 ] - [ -0.0045077400000000, 0.0203467300000000, 0.0412001800000000 ] - [ 0.0020870800000000, 0.0000000000000000, -0.0078410200000000 ] - [ 0.0013657400000000, 0.0000000000000000, -0.0032268700000000 ] - [ -0.0045077400000000, -0.0203467300000000, 0.0412001800000000 ] - [ -0.0031834700000000, 0.0018198100000000, -0.0016111700000000 ] - [ 0.0058223000000000, 0.0000000000000000, 0.0082150800000000 ] - [ -0.0035910200000000, 0.0000000000000000, 0.0106703600000000 ] - [ 0.0027861500000000, 0.0010535400000000, -0.0007722600000000 ] - [ 0.0026825000000000, -0.0000060400000000, -0.0016874100000000 ] - [ -0.0025875200000000, 0.0000000000000000, 0.0112570500000000 ] - [ 0.0054993800000000, 0.0000000000000000, 0.0073002800000000 ] - [ 0.0045340800000000, -0.0045120200000000, 0.0293564400000000 ] - [ -0.0004911500000000, 0.0000000000000000, -0.0016363600000000 ] - [ -0.0019383300000000, 0.0012092200000000, -0.0010536900000000 ] - [ 0.0045340800000000, 0.0045120200000000, 0.0293564400000000 ] - [ 0.0012623700000000, 0.0000000000000000, -0.0069222400000000 ] - [ 0.0000566000000000, 0.0001389800000000, -0.0021002700000000 ] - [ 0.0010323400000000, 0.0000000000000000, -0.0022131000000000 ] - [ -0.0005099500000000, 0.0000000000000000, -0.0035610200000000 ] - [ -0.0000559000000000, 0.0000000000000000, -0.0023778100000000 ] - [ -0.0006054700000000, 0.0001413600000000, -0.0023335200000000 ] - [ 0.0000566000000000, -0.0001389800000000, -0.0021002700000000 ] - [ -0.0000243200000000, 0.0000000000000000, -0.0017547000000000 ] - [ -0.0006054700000000, -0.0001413600000000, -0.0023335200000000 ] - [ 0.0005201900000000, 0.0000000000000000, -0.0016042800000000 ] - [ 0.0003316900000000, 0.0000000000000000, -0.0023475900000000 ] - [ -0.0003625200000000, 0.0005329700000000, -0.0014571900000000 ] - [ -0.0002430800000000, -0.0005305400000000, -0.0014149200000000 ]- atom: 16 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001047000000000, 0.0000000000000000, -0.0032078100000000 ] - [ -0.0001836300000000, 0.0000000000000000, -0.0033126600000000 ] - [ -0.0000171300000000, 0.0000603300000000, -0.0031713700000000 ] - [ -0.0010636400000000, 0.0000000000000000, -0.0036849900000000 ] - [ 0.0001333300000000, -0.0000706900000000, -0.0029574000000000 ] - [ -0.0014388600000000, -0.0000230200000000, -0.0021394200000000 ] - [ -0.0001957200000000, 0.0000000000000000, -0.0027129500000000 ] - [ -0.0014388600000000, 0.0000230200000000, -0.0021394200000000 ] - [ -0.0002716800000000, 0.0000000000000000, -0.0028572200000000 ] - [ 0.0235919800000000, 0.0000000000000000, -0.0162217700000000 ] - [ 0.0002150200000000, -0.0113520400000000, 0.0311057100000000 ] - [ 0.0020690600000000, 0.0000000000000000, -0.0023945500000000 ] - [ -0.0100010000000000, 0.0000000000000000, -0.0163326200000000 ] - [ 0.0237492900000000, 0.0000000000000000, -0.0186985400000000 ] - [ 0.0002150200000000, 0.0113520400000000, 0.0311057100000000 ] - [ -0.0053397000000000, 0.0000000000000000, 0.1924879400000000 ] - [ -0.0010151100000000, -0.0000799600000000, -0.0016003900000000 ] - [ -0.0002472100000000, 0.0000000000000000, -0.0027268600000000 ] - [ -0.0001638300000000, 0.0001479200000000, -0.0026883900000000 ] - [ 0.0002012300000000, 0.0000000000000000, -0.0026342400000000 ] - [ -0.0010151100000000, 0.0000799600000000, -0.0016003900000000 ] - [ -0.0000560100000000, -0.0001235600000000, -0.0025153100000000 ] - [ -0.0006458100000000, 0.0000000000000000, -0.0031288900000000 ] - [ -0.0000017000000000, 0.0000000000000000, -0.0037075600000000 ] - [ 0.0001966500000000, 0.0000000000000000, -0.0032020200000000 ] - [ 0.0001312200000000, 0.0000000000000000, -0.0034603900000000 ] - [ 0.0001333300000000, 0.0000706900000000, -0.0029574000000000 ] - [ 0.0006510800000000, 0.0000000000000000, -0.0030387900000000 ] - [ -0.0000171300000000, -0.0000603300000000, -0.0031713700000000 ] - [ 0.0019188300000000, 0.0017525900000000, -0.0052711400000000 ] - [ -0.0000960300000000, 0.0000000000000000, -0.0037160000000000 ] - [ 0.0019188300000000, -0.0017525900000000, -0.0052711400000000 ] - [ 0.0002911200000000, 0.0000000000000000, -0.0035457600000000 ] - [ -0.0030455100000000, 0.0000000000000000, 0.0036622400000000 ] - [ -0.0003482900000000, -0.0105880100000000, 0.0320627300000000 ] - [ -0.0014195800000000, 0.0000000000000000, -0.0030761100000000 ] - [ 0.0038043300000000, 0.0000000000000000, 0.0013426400000000 ] - [ -0.0026111300000000, 0.0000000000000000, 0.0020289400000000 ] - [ -0.0003482900000000, 0.0105880100000000, 0.0320627300000000 ] - [ 0.0011694800000000, 0.0000000000000000, 0.0132561700000000 ] - [ 0.0015268500000000, -0.0014859800000000, -0.0048432000000000 ] - [ 0.0000277700000000, 0.0000000000000000, -0.0028298500000000 ] - [ -0.0000560100000000, 0.0001235600000000, -0.0025153100000000 ] - [ 0.0003596000000000, 0.0000000000000000, -0.0034391800000000 ] - [ 0.0015268500000000, 0.0014859800000000, -0.0048432000000000 ] - [ -0.0001638300000000, -0.0001479200000000, -0.0026883900000000 ] - [ 0.0008330600000000, 0.0000000000000000, -0.0026179500000000 ] - [ 0.0000768600000000, 0.0000000000000000, -0.0036754000000000 ] - [ -0.0017671400000000, 0.0000000000000000, 0.0023027000000000 ] - [ -0.0077607000000000, 0.0000000000000000, -0.0120608900000000 ] - [ -0.0000261800000000, 0.0000000000000000, -0.0017774400000000 ] - [ -0.0016632200000000, 0.0000000000000000, 0.0027410700000000 ] - [ -0.0023055100000000, 0.0000000000000000, -0.0032450900000000 ] - [ 0.0032352200000000, 0.0000000000000000, -0.0000473700000000 ] - [ 0.0002678700000000, 0.0000000000000000, -0.0021369400000000 ] - [ -0.0036930800000000, 0.0000000000000000, 0.0002417100000000 ] - [ 0.0002698600000000, 0.0004264700000000, 0.0020615100000000 ] - [ 0.0001190300000000, 0.0000000000000000, 0.0023003700000000 ] - [ 0.0001374600000000, -0.0004205900000000, 0.0020252100000000 ] - [ -0.0007838300000000, 0.0000000000000000, 0.0013872400000000 ] - [ -0.0001829100000000, -0.0002791500000000, 0.0010203000000000 ] - [ -0.0005348700000000, 0.0000000000000000, 0.0020661300000000 ] - [ -0.0002354200000000, 0.0000000000000000, 0.0024995800000000 ] - [ -0.0000164500000000, -0.0000886200000000, 0.0018156800000000 ] - [ 0.0001355500000000, 0.0000000000000000, -0.0001466500000000 ] - [ -0.0001829100000000, 0.0002791500000000, 0.0010203000000000 ] - [ 0.0004063900000000, 0.0000000000000000, 0.0013403300000000 ] - [ -0.0000164500000000, 0.0000886200000000, 0.0018156800000000 ] - [ 0.0033248900000000, -0.0019840700000000, -0.0062491700000000 ] - [ 0.0005340600000000, 0.0000000000000000, -0.0006373100000000 ] - [ 0.0004684500000000, 0.0000000000000000, 0.0019619100000000 ] - [ 0.0033248900000000, 0.0019840700000000, -0.0062491700000000 ] - [ -0.0029078800000000, 0.0007676600000000, 0.0007910100000000 ] - [ -0.0064288700000000, 0.0000000000000000, -0.0361957000000000 ] - [ -0.0049389200000000, 0.0000000000000000, -0.0120113800000000 ] - [ 0.0030919100000000, 0.0021181900000000, 0.0016422300000000 ] - [ 0.0018872800000000, 0.0011228900000000, 0.0013629300000000 ] - [ -0.0058082400000000, 0.0000000000000000, -0.0108784100000000 ] - [ -0.0057032700000000, 0.0000000000000000, -0.0343035200000000 ] - [ 0.0034509100000000, 0.0020763600000000, -0.0060301200000000 ] - [ -0.0009129100000000, 0.0000000000000000, 0.0030557600000000 ] - [ -0.0027209400000000, 0.0000718100000000, 0.0020109800000000 ] - [ 0.0034509100000000, -0.0020763600000000, -0.0060301200000000 ] - [ 0.0001634800000000, 0.0000000000000000, -0.0005348100000000 ] - [ 0.0000478400000000, 0.0001622900000000, 0.0022467000000000 ] - [ 0.0007784600000000, 0.0000000000000000, 0.0018070000000000 ] - [ 0.0000425900000000, 0.0000000000000000, 0.0000770600000000 ] - [ -0.0000549900000000, 0.0000000000000000, 0.0030249000000000 ] - [ -0.0004195000000000, 0.0001122000000000, 0.0020860700000000 ] - [ 0.0000478400000000, -0.0001622900000000, 0.0022467000000000 ] - [ -0.0000527100000000, 0.0000000000000000, 0.0026462800000000 ] - [ -0.0004195000000000, -0.0001122000000000, 0.0020860700000000 ] - [ -0.0004134300000000, 0.0000000000000000, 0.0022196100000000 ] - [ 0.0003470700000000, 0.0000000000000000, 0.0026223500000000 ] - [ 0.0001049200000000, -0.0002830200000000, 0.0023808800000000 ] - [ 0.0002241300000000, 0.0002855900000000, 0.0024232400000000 ] - [ 0.0001374600000000, 0.0004205900000000, 0.0020252100000000 ] - [ -0.0002318800000000, 0.0000000000000000, 0.0020735800000000 ] - [ 0.0002698600000000, -0.0004264700000000, 0.0020615100000000 ] - [ -0.0007670300000000, 0.0000000000000000, 0.0014666500000000 ] - [ 0.0005214500000000, -0.0004846600000000, 0.0023655900000000 ] - [ -0.0001120000000000, 0.0000000000000000, 0.0022266900000000 ] - [ -0.0001911400000000, 0.0000000000000000, 0.0026110900000000 ] - [ -0.0001158800000000, -0.0001438400000000, 0.0021620400000000 ] - [ -0.0011136100000000, 0.0000000000000000, 0.0028317800000000 ] - [ 0.0005214500000000, 0.0004846600000000, 0.0023655900000000 ] - [ -0.0008104600000000, 0.0000000000000000, 0.0020836300000000 ] - [ -0.0001158800000000, 0.0001438400000000, 0.0021620400000000 ] - [ 0.0050362200000000, -0.0210523000000000, -0.0417329900000000 ] - [ -0.0017228200000000, 0.0000000000000000, 0.0077421100000000 ] - [ -0.0007987600000000, 0.0000000000000000, 0.0034594200000000 ] - [ 0.0050362200000000, 0.0210523000000000, -0.0417329900000000 ] - [ 0.0030919100000000, -0.0021181900000000, 0.0016422300000000 ] - [ -0.0059406000000000, 0.0000000000000000, -0.0081005600000000 ] - [ 0.0032310300000000, 0.0000000000000000, -0.0113773300000000 ] - [ -0.0029078800000000, -0.0007676600000000, 0.0007910100000000 ] - [ -0.0027209400000000, -0.0000718100000000, 0.0020109800000000 ] - [ 0.0028447100000000, 0.0000000000000000, -0.0117252000000000 ] - [ -0.0051311400000000, 0.0000000000000000, -0.0077453500000000 ] - [ -0.0051193500000000, 0.0039053700000000, -0.0297994000000000 ] - [ 0.0007073500000000, 0.0000000000000000, 0.0019523600000000 ] - [ 0.0018872800000000, -0.0011228900000000, 0.0013629300000000 ] - [ -0.0051193500000000, -0.0039053700000000, -0.0297994000000000 ] - [ -0.0016247600000000, 0.0000000000000000, 0.0064886200000000 ] - [ -0.0000159800000000, 0.0001859700000000, 0.0025057300000000 ] - [ -0.0002151900000000, 0.0000000000000000, 0.0025082400000000 ] - [ 0.0006465700000000, 0.0000000000000000, 0.0033004800000000 ] - [ -0.0000323000000000, 0.0000000000000000, 0.0031251600000000 ] - [ 0.0005917600000000, 0.0002277700000000, 0.0032432500000000 ] - [ -0.0000159800000000, -0.0001859700000000, 0.0025057300000000 ] - [ 0.0001578100000000, 0.0000000000000000, 0.0028634300000000 ] - [ 0.0005917600000000, -0.0002277700000000, 0.0032432500000000 ] - [ -0.0004070100000000, 0.0000000000000000, 0.0022823600000000 ] - [ 0.0000722100000000, 0.0000000000000000, 0.0024315700000000 ] - [ 0.0002241300000000, -0.0002855900000000, 0.0024232400000000 ] - [ 0.0001049200000000, 0.0002830200000000, 0.0023808800000000 ]- atom: 17 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0004617000000000, -0.0000077700000000, 0.0002035400000000 ] - [ 0.0001476100000000, 0.0000073100000000, -0.0003059700000000 ] - [ 0.0000741500000000, 0.0000210600000000, -0.0000173400000000 ] - [ -0.0000395900000000, -0.0000015100000000, -0.0002639700000000 ] - [ 0.0000692700000000, -0.0000589000000000, 0.0002539500000000 ] - [ -0.0000610600000000, 0.0000011400000000, 0.0000587100000000 ] - [ -0.0001065400000000, 0.0000019700000000, 0.0002430700000000 ] - [ -0.0000729900000000, -0.0000006100000000, 0.0000470800000000 ] - [ -0.0000351100000000, -0.0000015700000000, 0.0001697500000000 ] - [ -0.0002818000000000, 0.0000636300000000, 0.0007891000000000 ] - [ -0.0030999400000000, 0.0003634300000000, 0.0014805200000000 ] - [ 0.0298422600000000, 0.0234980600000000, -0.0046611500000000 ] - [ 0.0006327600000000, -0.0000137800000000, -0.0002550300000000 ] - [ 0.0064321100000000, 0.0017243400000000, -0.0034468800000000 ] - [ -0.0020248100000000, -0.0003550400000000, 0.0027683300000000 ] - [ 0.0031370800000000, 0.0001671800000000, 0.0005170800000000 ] - [ -0.2018779300000000, -0.0325367900000000, -0.0075650600000000 ] - [ -0.0020015500000000, 0.0009654400000000, -0.0011989600000000 ] - [ 0.0017842700000000, 0.0001000900000000, -0.0012480700000000 ] - [ -0.0222953900000000, 0.0141004400000000, 0.0126667000000000 ] - [ -0.0343760400000000, 0.0001393000000000, 0.0173669400000000 ] - [ -0.0037609400000000, -0.0000474600000000, 0.0026163300000000 ] - [ 0.0119353300000000, -0.0059648500000000, -0.0106000300000000 ] - [ -0.0008217500000000, -0.0001707100000000, -0.0004713300000000 ] - [ -0.0001422300000000, -0.0000181400000000, 0.0006429100000000 ] - [ -0.0002541200000000, 0.0000080400000000, -0.0001930500000000 ] - [ 0.0000781000000000, 0.0000589000000000, 0.0002667500000000 ] - [ -0.0001938700000000, -0.0000011800000000, -0.0001601100000000 ] - [ 0.0000655100000000, -0.0000207300000000, -0.0000327200000000 ] - [ 0.0000445700000000, 0.0000056300000000, 0.0003131000000000 ] - [ -0.0000822900000000, 0.0000020300000000, 0.0002479000000000 ] - [ 0.0000337000000000, -0.0000052200000000, 0.0003035700000000 ] - [ -0.0001716000000000, -0.0000015300000000, 0.0002611300000000 ] - [ 0.0001039200000000, 0.0000931100000000, -0.0004379200000000 ] - [ 0.0014542500000000, -0.0002151000000000, -0.0020480800000000 ] - [ 0.0337212000000000, 0.0264180500000000, -0.0048146500000000 ] - [ -0.0000074400000000, -0.0000198700000000, 0.0002612400000000 ] - [ -0.0226292400000000, 0.0149100100000000, 0.0124937700000000 ] - [ 0.0016915300000000, 0.0002208600000000, -0.0018682800000000 ] - [ -0.0014229600000000, 0.0009780700000000, -0.0013951800000000 ] - [ 0.0088474300000000, 0.0009223500000000, -0.0016509900000000 ] - [ 0.0030639000000000, 0.0002123300000000, 0.0012934000000000 ] - [ -0.0026221000000000, -0.0000020400000000, 0.0038988600000000 ] - [ 0.0073167400000000, 0.0017290400000000, -0.0021194000000000 ] - [ 0.0139360200000000, -0.0010026200000000, 0.0005807600000000 ] - [ 0.0015146800000000, -0.0000968000000000, -0.0014405400000000 ] - [ 0.0132837000000000, -0.0152066500000000, 0.0116055400000000 ] - [ 0.0011941700000000, -0.0000995600000000, 0.0005200300000000 ] - [ -0.0005726500000000, -0.0000819600000000, -0.0003795100000000 ] - [ 0.0083763700000000, -0.0087834500000000, 0.0080884900000000 ] - [ -0.0033196100000000, -0.0006604000000000, -0.0067724600000000 ] - [ -0.0038580100000000, -0.0003980700000000, -0.0078034000000000 ] - [ 0.0005313300000000, -0.0000423000000000, 0.0001678400000000 ] - [ 0.0080741100000000, -0.0046343500000000, -0.0084161300000000 ] - [ 0.0041731000000000, 0.0005698000000000, 0.0023270200000000 ] - [ 0.0042917600000000, 0.0006228400000000, 0.0014918000000000 ] - [ -0.0000965500000000, 0.0000493500000000, 0.0001279800000000 ] - [ -0.0001176100000000, -0.0000012500000000, -0.0003265900000000 ] - [ 0.0000863900000000, 0.0000052100000000, -0.0000721600000000 ] - [ -0.0004535600000000, -0.0000076300000000, -0.0006851200000000 ] - [ -0.0001025700000000, -0.0000962600000000, -0.0004181300000000 ] - [ -0.0001643700000000, 0.0000012200000000, -0.0001406900000000 ] - [ -0.0003994000000000, 0.0000140600000000, -0.0004150100000000 ] - [ -0.0001384900000000, 0.0000229700000000, -0.0002873600000000 ] - [ -0.0003572100000000, 0.0000065900000000, -0.0003965900000000 ] - [ -0.0001021800000000, 0.0000963200000000, -0.0004194400000000 ] - [ -0.0000909400000000, 0.0000012800000000, -0.0002812200000000 ] - [ -0.0001397900000000, -0.0000231700000000, -0.0002835500000000 ] - [ 0.0003170400000000, 0.0000140200000000, 0.0007628900000000 ] - [ 0.0004117100000000, -0.0000100000000000, -0.0000750000000000 ] - [ 0.0002947900000000, -0.0000011600000000, 0.0000570900000000 ] - [ 0.0005660300000000, -0.0000914400000000, 0.0004622700000000 ] - [ 0.0000099700000000, -0.0001956800000000, -0.0002286200000000 ] - [ -0.0006868800000000, 0.0011164100000000, -0.0037453200000000 ] - [ 0.0006963600000000, 0.0001219900000000, -0.0007815200000000 ] - [ -0.0000983200000000, 0.0001233100000000, 0.0000960900000000 ] - [ 0.0078729000000000, -0.0041053400000000, -0.0045983100000000 ] - [ -0.0014028100000000, -0.0002085900000000, 0.0025977500000000 ] - [ -0.0006029500000000, -0.0000111400000000, 0.0002763500000000 ] - [ 0.0040983300000000, -0.0002163300000000, 0.0024278300000000 ] - [ -0.0079617300000000, -0.0019236400000000, 0.0001498300000000 ] - [ -0.0054481100000000, -0.0005029600000000, 0.0013961000000000 ] - [ 0.0057146800000000, -0.0006542400000000, -0.0014518400000000 ] - [ 0.0344992800000000, -0.0125556100000000, -0.0083674600000000 ] - [ 0.0059563800000000, -0.0006420200000000, -0.0004253600000000 ] - [ 0.0269742100000000, 0.0006826900000000, 0.0008103600000000 ] - [ 0.0309951800000000, 0.0092362700000000, -0.0070735700000000 ] - [ 0.0010835200000000, -0.0002097000000000, -0.0000225400000000 ] - [ 0.0192959600000000, -0.0018939100000000, -0.0008057800000000 ] - [ 0.0047093400000000, -0.0004184000000000, 0.0035653300000000 ] - [ 0.0010294200000000, -0.0023586000000000, -0.0054696200000000 ] - [ 0.0053263900000000, -0.0015720600000000, -0.0040287500000000 ] - [ 0.0013628700000000, 0.0002245500000000, -0.0001073700000000 ] - [ -0.0006441100000000, 0.0000952400000000, 0.0035561600000000 ] - [ -0.0011670700000000, 0.0003959500000000, -0.0009177100000000 ] - [ 0.0004830500000000, 0.0000665700000000, 0.0013668600000000 ] - [ 0.0000867800000000, -0.0000102300000000, -0.0000970800000000 ] - [ -0.0000852900000000, -0.0000019200000000, -0.0004314200000000 ] - [ -0.0001077500000000, -0.0000524500000000, 0.0001469900000000 ] - [ -0.0002036500000000, -0.0000068900000000, -0.0005461300000000 ] - [ -0.0001836700000000, -0.0001128600000000, -0.0004418100000000 ] - [ -0.0002083600000000, 0.0000009000000000, -0.0000426000000000 ] - [ -0.0000696100000000, 0.0000131600000000, -0.0000037100000000 ] - [ -0.0000351300000000, 0.0000057700000000, -0.0002619200000000 ] - [ -0.0005298500000000, 0.0000057900000000, -0.0005650700000000 ] - [ -0.0001828800000000, 0.0001128500000000, -0.0004436500000000 ] - [ -0.0000617400000000, 0.0000011300000000, -0.0003834800000000 ] - [ -0.0000364700000000, -0.0000057600000000, -0.0002585300000000 ] - [ -0.0005830600000000, 0.0000374500000000, -0.0011033600000000 ] - [ -0.0000217000000000, -0.0000097300000000, -0.0003382400000000 ] - [ 0.0003113700000000, -0.0000011500000000, -0.0000662200000000 ] - [ -0.0006470600000000, -0.0000801100000000, -0.0013591900000000 ] - [ -0.0001174500000000, -0.0001134500000000, 0.0001356000000000 ] - [ -0.0005515500000000, 0.0000580900000000, 0.0025622500000000 ] - [ -0.0008390200000000, -0.0000129400000000, 0.0001416500000000 ] - [ 0.0000107800000000, 0.0001996800000000, -0.0002633400000000 ] - [ -0.0100415400000000, -0.0011083600000000, 0.0041155500000000 ] - [ 0.0006281000000000, -0.0022466700000000, -0.0062820600000000 ] - [ 0.0012079400000000, -0.0002104300000000, -0.0006704900000000 ] - [ -0.0027316400000000, -0.0000244900000000, -0.0000073200000000 ] - [ 0.0287626500000000, 0.0042255500000000, -0.0047164200000000 ] - [ 0.0477812800000000, -0.0031145500000000, 0.0147842600000000 ] - [ -0.0023692900000000, -0.0000820800000000, -0.0004233000000000 ] - [ -0.0082971900000000, 0.0006560400000000, -0.0002522200000000 ] - [ -0.0025135700000000, 0.0001553800000000, 0.0001390600000000 ] - [ -0.0088071300000000, 0.0014222100000000, 0.0004454900000000 ] - [ -0.0083405400000000, -0.0019922100000000, 0.0000202900000000 ] - [ -0.0009068200000000, -0.0000113000000000, 0.0008375700000000 ] - [ -0.0055185200000000, 0.0001504500000000, 0.0014657300000000 ] - [ -0.0028866800000000, -0.0002995600000000, 0.0006123700000000 ] - [ -0.0017321400000000, -0.0001934800000000, 0.0034722800000000 ] - [ -0.0097266900000000, -0.0010639200000000, 0.0043461100000000 ] - [ -0.0010536200000000, 0.0000170100000000, 0.0008926400000000 ] - [ -0.0009333200000000, 0.0019495300000000, -0.0057938900000000 ] - [ 0.0007693000000000, 0.0000392500000000, 0.0010312700000000 ] - [ -0.0010254500000000, -0.0003260500000000, -0.0006049300000000 ]- atom: 17 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0001722400000000, 0.0000080200000000, 0.0003897100000000 ] - [ -0.0002716500000000, -0.0000071200000000, -0.0004702000000000 ] - [ 0.0000861700000000, 0.0000580600000000, -0.0000544100000000 ] - [ -0.0001893200000000, 0.0000016800000000, -0.0004479100000000 ] - [ 0.0000899500000000, -0.0000198000000000, -0.0003249600000000 ] - [ 0.0000227900000000, 0.0000076900000000, -0.0000438400000000 ] - [ -0.0000919300000000, -0.0000018000000000, -0.0000772400000000 ] - [ 0.0000346900000000, -0.0000078300000000, -0.0000321600000000 ] - [ -0.0001621500000000, 0.0000017500000000, -0.0000472700000000 ] - [ 0.0002788000000000, -0.0000632800000000, -0.0008353700000000 ] - [ 0.0033071900000000, -0.0005087100000000, -0.0022176500000000 ] - [ -0.0294839300000000, -0.0231595300000000, 0.0042276000000000 ] - [ -0.0000272100000000, 0.0000139900000000, 0.0000285400000000 ] - [ -0.0063760600000000, -0.0016974400000000, 0.0027474500000000 ] - [ 0.0022302400000000, 0.0005007300000000, -0.0035053500000000 ] - [ -0.0024225600000000, -0.0001656300000000, -0.0008532200000000 ] - [ 0.2033607200000000, 0.0328020000000000, 0.0086430400000000 ] - [ 0.0017633000000000, -0.0009638100000000, 0.0017785900000000 ] - [ -0.0019948100000000, 0.0001323300000000, 0.0021983500000000 ] - [ 0.0225935500000000, -0.0140997800000000, -0.0115891500000000 ] - [ 0.0345010100000000, -0.0001901300000000, -0.0173723800000000 ] - [ 0.0035323100000000, -0.0001874300000000, -0.0016659200000000 ] - [ -0.0115065000000000, 0.0060696900000000, 0.0114484500000000 ] - [ 0.0008872000000000, 0.0001708900000000, 0.0002185400000000 ] - [ 0.0004307200000000, 0.0000183200000000, -0.0000528600000000 ] - [ 0.0001296700000000, -0.0000078500000000, -0.0005837900000000 ] - [ 0.0000811600000000, 0.0000201700000000, -0.0003378500000000 ] - [ -0.0000351300000000, 0.0000014200000000, -0.0005514700000000 ] - [ 0.0000948500000000, -0.0000580100000000, -0.0000389400000000 ] - [ -0.0000817200000000, 0.0000033700000000, -0.0002982700000000 ] - [ -0.0001158100000000, -0.0000018300000000, -0.0000824000000000 ] - [ -0.0000708700000000, -0.0000034000000000, -0.0002887600000000 ] - [ -0.0000257900000000, 0.0000017100000000, -0.0001388900000000 ] - [ -0.0001113200000000, -0.0000930400000000, 0.0003915600000000 ] - [ -0.0012647400000000, 0.0000655300000000, 0.0013034400000000 ] - [ -0.0339816200000000, -0.0268104200000000, 0.0043866200000000 ] - [ 0.0006132300000000, 0.0000200600000000, -0.0004835200000000 ] - [ 0.0228004700000000, -0.0149024500000000, -0.0131338700000000 ] - [ -0.0015008600000000, -0.0000708500000000, 0.0011256700000000 ] - [ 0.0021229000000000, -0.0009801900000000, 0.0010760000000000 ] - [ -0.0087272200000000, -0.0008344000000000, 0.0016598300000000 ] - [ -0.0033079400000000, -0.0002133700000000, -0.0006981900000000 ] - [ 0.0023945100000000, 0.0002375600000000, -0.0029479400000000 ] - [ -0.0068994600000000, -0.0017549700000000, 0.0032437300000000 ] - [ -0.0138125800000000, 0.0009147500000000, -0.0005710100000000 ] - [ -0.0017237500000000, -0.0001349500000000, 0.0023927700000000 ] - [ -0.0128369200000000, 0.0151730600000000, -0.0107513500000000 ] - [ -0.0011297100000000, 0.0000999100000000, -0.0007682100000000 ] - [ 0.0004032400000000, 0.0000761200000000, -0.0000428900000000 ] - [ -0.0083457100000000, 0.0087977800000000, -0.0081247200000000 ] - [ 0.0035940200000000, 0.0006521000000000, 0.0077666000000000 ] - [ 0.0038172000000000, 0.0004084300000000, 0.0073146000000000 ] - [ -0.0006981000000000, 0.0000363400000000, -0.0005928200000000 ] - [ -0.0080212000000000, 0.0045504400000000, 0.0083739600000000 ] - [ -0.0039153800000000, -0.0005785500000000, -0.0012947600000000 ] - [ -0.0043004400000000, -0.0006116600000000, -0.0020197400000000 ] - [ 0.0000808000000000, 0.0000250000000000, 0.0000871800000000 ] - [ -0.0000863000000000, 0.0000016100000000, -0.0001964300000000 ] - [ -0.0001011900000000, -0.0000794800000000, 0.0002878400000000 ] - [ -0.0002317100000000, 0.0000077400000000, -0.0003390400000000 ] - [ -0.0001583400000000, -0.0001298600000000, -0.0002519100000000 ] - [ -0.0002241600000000, -0.0000010200000000, 0.0001600000000000 ] - [ -0.0000400600000000, -0.0000139000000000, 0.0002845900000000 ] - [ -0.0000309500000000, -0.0000065800000000, -0.0000430900000000 ] - [ -0.0005442500000000, -0.0000064800000000, -0.0003482800000000 ] - [ -0.0001586400000000, 0.0001301400000000, -0.0002505400000000 ] - [ -0.0000738800000000, -0.0000010400000000, -0.0001766900000000 ] - [ -0.0000295900000000, 0.0000071400000000, -0.0000469300000000 ] - [ -0.0003620100000000, 0.0000710600000000, -0.0008785600000000 ] - [ -0.0000154400000000, 0.0000101400000000, -0.0000916600000000 ] - [ 0.0002832100000000, 0.0000013600000000, 0.0001598800000000 ] - [ -0.0006118000000000, 0.0000068200000000, -0.0005776000000000 ] - [ -0.0001158900000000, -0.0001014000000000, 0.0002715000000000 ] - [ 0.0005778100000000, -0.0011144700000000, 0.0038757800000000 ] - [ -0.0010648600000000, -0.0001222500000000, 0.0000933300000000 ] - [ -0.0000062000000000, 0.0001742900000000, -0.0000521400000000 ] - [ -0.0079430300000000, 0.0040362400000000, 0.0048885300000000 ] - [ 0.0016806200000000, 0.0002030900000000, -0.0030786700000000 ] - [ 0.0009456600000000, 0.0000109100000000, -0.0007115600000000 ] - [ -0.0042890800000000, 0.0001524800000000, -0.0034657600000000 ] - [ 0.0081837400000000, 0.0019156400000000, 0.0001476700000000 ] - [ 0.0054318900000000, 0.0005842200000000, -0.0010833200000000 ] - [ -0.0059084400000000, 0.0007179000000000, 0.0004254100000000 ] - [ -0.0348504200000000, 0.0122451400000000, 0.0077192900000000 ] - [ -0.0058969300000000, 0.0009664600000000, 0.0008369100000000 ] - [ -0.0263593600000000, -0.0004793200000000, -0.0003418800000000 ] - [ -0.0306284000000000, -0.0087287600000000, 0.0064900100000000 ] - [ -0.0011694500000000, 0.0002098000000000, 0.0007697500000000 ] - [ -0.0175473800000000, 0.0023179700000000, 0.0028848900000000 ] - [ -0.0046556600000000, 0.0000935000000000, -0.0031471100000000 ] - [ -0.0008916400000000, 0.0023595600000000, 0.0065715500000000 ] - [ -0.0053103000000000, 0.0011965100000000, 0.0049560700000000 ] - [ -0.0012463700000000, -0.0002240900000000, 0.0007851200000000 ] - [ 0.0010306400000000, -0.0001021000000000, -0.0034682300000000 ] - [ 0.0010294300000000, -0.0001464800000000, 0.0018791100000000 ] - [ -0.0006242900000000, -0.0003141700000000, -0.0004025800000000 ] - [ -0.0001014400000000, 0.0000848000000000, 0.0003128600000000 ] - [ -0.0001182600000000, 0.0000021600000000, -0.0000917800000000 ] - [ 0.0000919200000000, -0.0000216800000000, 0.0000678700000000 ] - [ -0.0004821900000000, 0.0000069700000000, -0.0004769100000000 ] - [ -0.0000772800000000, -0.0001131800000000, -0.0002279600000000 ] - [ -0.0001805600000000, -0.0000006800000000, 0.0000619500000000 ] - [ -0.0003699300000000, -0.0000128600000000, -0.0001250500000000 ] - [ -0.0001341400000000, 0.0000107200000000, -0.0000681300000000 ] - [ -0.0003724000000000, -0.0000055800000000, -0.0001791100000000 ] - [ -0.0000779400000000, 0.0001136100000000, -0.0002261700000000 ] - [ -0.0001031300000000, -0.0000009100000000, -0.0000745300000000 ] - [ -0.0001329000000000, -0.0000101700000000, -0.0000715900000000 ] - [ 0.0005316800000000, 0.0000481300000000, 0.0009900100000000 ] - [ 0.0004167200000000, 0.0000098600000000, 0.0001728700000000 ] - [ 0.0002661600000000, 0.0000013200000000, 0.0002830600000000 ] - [ 0.0005959000000000, -0.0000054800000000, 0.0012451700000000 ] - [ 0.0000129700000000, -0.0001838600000000, -0.0000916300000000 ] - [ 0.0004602600000000, -0.0000535300000000, -0.0024368000000000 ] - [ 0.0004760600000000, 0.0000133700000000, -0.0008253900000000 ] - [ -0.0001167700000000, 0.0000976800000000, 0.0003061500000000 ] - [ 0.0099485100000000, 0.0010000800000000, -0.0037819600000000 ] - [ -0.0003672300000000, 0.0022406100000000, 0.0057910600000000 ] - [ -0.0008681600000000, 0.0002111400000000, 0.0002262000000000 ] - [ 0.0025499300000000, -0.0000372900000000, -0.0009953400000000 ] - [ -0.0287667600000000, -0.0045925600000000, 0.0053053600000000 ] - [ -0.0507426200000000, 0.0029428700000000, -0.0166127000000000 ] - [ 0.0021924600000000, 0.0001422900000000, -0.0005849200000000 ] - [ 0.0079038600000000, -0.0006685000000000, -0.0001337600000000 ] - [ 0.0025503700000000, 0.0001713300000000, 0.0002574100000000 ] - [ 0.0096241400000000, -0.0014148200000000, -0.0001681300000000 ] - [ 0.0084565000000000, 0.0019980000000000, -0.0002766400000000 ] - [ 0.0008159800000000, 0.0000117900000000, -0.0000970300000000 ] - [ 0.0054733900000000, 0.0002287500000000, -0.0005682800000000 ] - [ 0.0029279000000000, -0.0000246000000000, -0.0002222000000000 ] - [ 0.0018531500000000, 0.0001994600000000, -0.0023666400000000 ] - [ 0.0097500900000000, 0.0007043100000000, -0.0034650200000000 ] - [ 0.0011646100000000, -0.0000170100000000, -0.0002173000000000 ] - [ 0.0013373900000000, -0.0019511000000000, 0.0058678600000000 ] - [ -0.0009095200000000, 0.0002086700000000, -0.0000669500000000 ] - [ 0.0008882300000000, 0.0000769000000000, 0.0015658200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001178900000000, -0.0000000700000000, 0.0004557900000000 ] - [ -0.0000521400000000, 0.0000002000000000, -0.0001223500000000 ] - [ 0.0000603000000000, 0.0000506400000000, 0.0002358900000000 ] - [ -0.0001209400000000, 0.0000002000000000, -0.0001121500000000 ] - [ 0.0001008000000000, -0.0000578800000000, 0.0002282400000000 ] - [ -0.0000236700000000, 0.0000122800000000, 0.0002914800000000 ] - [ -0.0000865600000000, 0.0000003600000000, 0.0003692800000000 ] - [ -0.0000234300000000, -0.0000116200000000, 0.0002916800000000 ] - [ -0.0001135900000000, 0.0000002800000000, 0.0003292300000000 ] - [ 0.0001768300000000, 0.0000009500000000, 0.0003281600000000 ] - [ 0.0005714600000000, -0.0002046000000000, 0.0000792100000000 ] - [ 0.0226746800000000, 0.0032448500000000, 0.0077751800000000 ] - [ 0.0002744400000000, 0.0000001500000000, -0.0000604600000000 ] - [ 0.0018960300000000, -0.0000114700000000, -0.0009958000000000 ] - [ 0.0005387800000000, 0.0002035400000000, 0.0000918800000000 ] - [ 0.0008440300000000, -0.0000026500000000, -0.0001164500000000 ] - [ -0.0330961700000000, -0.2251139900000000, -0.0115001700000000 ] - [ 0.0004317300000000, -0.0000226100000000, 0.0018171300000000 ] - [ -0.0003158500000000, 0.0017342100000000, 0.0005612300000000 ] - [ 0.0141122600000000, 0.0029914000000000, 0.0173273600000000 ] - [ -0.0000910000000000, 0.0898590300000000, -0.0000537800000000 ] - [ 0.0001959000000000, -0.0003943200000000, 0.0008040700000000 ] - [ -0.0151476700000000, 0.0003633900000000, 0.0048311700000000 ] - [ -0.0001683400000000, 0.0000001100000000, 0.0001459800000000 ] - [ 0.0001434600000000, 0.0000005000000000, 0.0006321200000000 ] - [ -0.0000552500000000, 0.0000002100000000, -0.0000977100000000 ] - [ 0.0001007600000000, 0.0000595800000000, 0.0002284700000000 ] - [ -0.0001202500000000, 0.0000004800000000, -0.0000961400000000 ] - [ 0.0000603500000000, -0.0000501200000000, 0.0002358900000000 ] - [ 0.0000316800000000, 0.0000229100000000, 0.0002984000000000 ] - [ -0.0000847700000000, 0.0000003000000000, 0.0003698500000000 ] - [ 0.0000317900000000, -0.0000208400000000, 0.0002983900000000 ] - [ -0.0001081600000000, 0.0000003200000000, 0.0003442400000000 ] - [ 0.0000008500000000, -0.0000011500000000, 0.0002942400000000 ] - [ -0.0000611200000000, -0.0014198200000000, -0.0004949600000000 ] - [ 0.0257069500000000, 0.0041423700000000, 0.0071752400000000 ] - [ 0.0002872100000000, 0.0000006300000000, 0.0002107100000000 ] - [ 0.0147101200000000, 0.0029445500000000, 0.0173883700000000 ] - [ -0.0000708800000000, 0.0014205300000000, -0.0004991400000000 ] - [ 0.0004494000000000, -0.0000314500000000, 0.0013720700000000 ] - [ 0.0009372200000000, -0.0004821100000000, -0.0001602300000000 ] - [ 0.0002814700000000, 0.0000052300000000, 0.0004572400000000 ] - [ 0.0001770600000000, 0.0003801600000000, 0.0008093000000000 ] - [ 0.0021440300000000, -0.0000007900000000, 0.0005311500000000 ] - [ 0.0010181100000000, 0.0004647600000000, -0.0001935100000000 ] - [ -0.0003137700000000, -0.0017425300000000, 0.0005662300000000 ] - [ -0.0057422100000000, 0.0001605200000000, -0.0041425300000000 ] - [ -0.0000392100000000, -0.0000032800000000, 0.0001528100000000 ] - [ -0.0002403700000000, -0.0000015000000000, -0.0000116400000000 ] - [ -0.0047488900000000, 0.0005538100000000, -0.0037631500000000 ] - [ -0.0000033000000000, 0.0004357500000000, -0.0088235800000000 ] - [ -0.0001197100000000, 0.0006274900000000, -0.0102032100000000 ] - [ -0.0000618400000000, -0.0000035900000000, -0.0000614300000000 ] - [ -0.0086468300000000, 0.0005805200000000, 0.0030047200000000 ] - [ 0.0001839200000000, 0.0000221200000000, 0.0003228400000000 ] - [ 0.0003281700000000, 0.0000523600000000, -0.0005113000000000 ] - [ -0.0000102100000000, 0.0000242600000000, -0.0000322400000000 ] - [ -0.0000987200000000, 0.0000004100000000, -0.0004585900000000 ] - [ -0.0000425000000000, -0.0000070500000000, -0.0000703300000000 ] - [ -0.0003385100000000, -0.0000000200000000, -0.0006309700000000 ] - [ -0.0001535200000000, -0.0000995600000000, -0.0005038600000000 ] - [ -0.0001861500000000, 0.0000001000000000, -0.0001761100000000 ] - [ -0.0002109200000000, 0.0000009000000000, -0.0003075100000000 ] - [ -0.0000886200000000, 0.0000237600000000, -0.0003428400000000 ] - [ -0.0004278900000000, 0.0000000600000000, -0.0005699000000000 ] - [ -0.0001535500000000, 0.0000998600000000, -0.0005038200000000 ] - [ -0.0000616500000000, 0.0000002100000000, -0.0004150000000000 ] - [ -0.0000885100000000, -0.0000234500000000, -0.0003428100000000 ] - [ 0.0001242400000000, -0.0001911500000000, -0.0003041300000000 ] - [ 0.0002413600000000, 0.0000002600000000, -0.0002776900000000 ] - [ 0.0003203700000000, 0.0000002100000000, -0.0000818600000000 ] - [ 0.0001202500000000, 0.0001929900000000, -0.0003011900000000 ] - [ -0.0001123800000000, -0.0001704000000000, -0.0001952300000000 ] - [ -0.0003338300000000, 0.0001130300000000, -0.0002619600000000 ] - [ -0.0003668200000000, -0.0000068000000000, -0.0008485200000000 ] - [ -0.0000396100000000, 0.0001867500000000, -0.0001273100000000 ] - [ -0.0030278600000000, -0.0110494500000000, -0.0016661400000000 ] - [ -0.0011790700000000, 0.0000145900000000, 0.0018464800000000 ] - [ -0.0000287700000000, 0.0000010800000000, 0.0000918900000000 ] - [ -0.0006869100000000, -0.0028842200000000, -0.0024466700000000 ] - [ -0.0002667200000000, 0.0000697900000000, 0.0000540400000000 ] - [ -0.0022394200000000, -0.0031277300000000, 0.0005145500000000 ] - [ -0.0005614700000000, 0.0028992300000000, -0.0022567600000000 ] - [ -0.0118705100000000, 0.0322908200000000, 0.0124366900000000 ] - [ -0.0005356700000000, 0.0028871200000000, -0.0010956800000000 ] - [ 0.0024104400000000, 0.0110937500000000, -0.0015928300000000 ] - [ 0.0086356700000000, 0.0318032500000000, -0.0127619600000000 ] - [ -0.0000632300000000, 0.0000081800000000, 0.0002379700000000 ] - [ -0.0009150400000000, 0.0217325700000000, -0.0004360500000000 ] - [ -0.0007259700000000, -0.0029705300000000, -0.0012959100000000 ] - [ -0.0001917700000000, 0.0000879600000000, 0.0008628100000000 ] - [ -0.0013638300000000, -0.0111987600000000, -0.0012592000000000 ] - [ 0.0000646100000000, -0.0000113600000000, -0.0001122600000000 ] - [ 0.0024507000000000, 0.0001301300000000, -0.0032082300000000 ] - [ -0.0001841800000000, 0.0001865100000000, 0.0003414200000000 ] - [ 0.0000271700000000, -0.0005024500000000, 0.0002699000000000 ] - [ -0.0000419400000000, 0.0000073500000000, -0.0000699800000000 ] - [ -0.0001149300000000, 0.0000002100000000, -0.0004667000000000 ] - [ -0.0000103700000000, -0.0000239100000000, -0.0000323900000000 ] - [ -0.0002934100000000, 0.0000002000000000, -0.0006754400000000 ] - [ -0.0001568900000000, -0.0001015100000000, -0.0004967600000000 ] - [ -0.0001743100000000, 0.0000002000000000, -0.0001681800000000 ] - [ -0.0002025000000000, 0.0000004500000000, -0.0003248800000000 ] - [ -0.0000878300000000, 0.0000223200000000, -0.0003536100000000 ] - [ -0.0004669300000000, 0.0000004100000000, -0.0005510000000000 ] - [ -0.0001568200000000, 0.0001018900000000, -0.0004967900000000 ] - [ -0.0000764900000000, 0.0000001600000000, -0.0004248900000000 ] - [ -0.0000878600000000, -0.0000218500000000, -0.0003536100000000 ] - [ -0.0001982200000000, 0.0000378600000000, -0.0002145500000000 ] - [ 0.0001506700000000, 0.0000000200000000, -0.0002303700000000 ] - [ 0.0003080400000000, 0.0000001900000000, -0.0000906400000000 ] - [ -0.0002034700000000, -0.0000290800000000, -0.0002229200000000 ] - [ -0.0000395000000000, -0.0001866100000000, -0.0001279700000000 ] - [ 0.0013746500000000, 0.0000275700000000, -0.0017857600000000 ] - [ 0.0000685500000000, -0.0000006800000000, -0.0007088000000000 ] - [ -0.0001115900000000, 0.0001707600000000, -0.0001946000000000 ] - [ -0.0020334900000000, 0.0030529000000000, 0.0005615100000000 ] - [ -0.0002727900000000, 0.0000297000000000, -0.0002550300000000 ] - [ 0.0001450300000000, 0.0000130400000000, -0.0004528400000000 ] - [ -0.0004126000000000, 0.0001949500000000, -0.0003016300000000 ] - [ 0.0027033900000000, 0.0227935600000000, -0.0079428900000000 ] - [ -0.0002106900000000, 0.0209050300000000, -0.0002047100000000 ] - [ -0.0003983900000000, -0.0001905300000000, -0.0002921200000000 ] - [ -0.0008818800000000, 0.0001456200000000, 0.0000669100000000 ] - [ -0.0002414800000000, -0.0000800100000000, 0.0002647400000000 ] - [ -0.0003325600000000, 0.0002228700000000, 0.0003760300000000 ] - [ -0.0007054700000000, 0.0000200400000000, 0.0000570900000000 ] - [ -0.0002455900000000, 0.0000007700000000, 0.0006249600000000 ] - [ -0.0009631400000000, -0.0038776700000000, 0.0011148800000000 ] - [ -0.0002494300000000, 0.0000855800000000, 0.0002598500000000 ] - [ -0.0015917100000000, 0.0000269000000000, 0.0027637600000000 ] - [ -0.0008947300000000, 0.0037283600000000, 0.0011319800000000 ] - [ 0.0005033400000000, -0.0000024000000000, -0.0001187400000000 ] - [ -0.0000153200000000, 0.0002191800000000, -0.0006924200000000 ] - [ 0.0000234100000000, 0.0005067700000000, 0.0002670700000000 ] - [ -0.0001774900000000, -0.0001657500000000, 0.0003536400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001709600000000, 0.0000004100000000, 0.0001592000000000 ] - [ -0.0000707100000000, -0.0000001200000000, -0.0006424300000000 ] - [ 0.0000988600000000, 0.0000294100000000, -0.0002950900000000 ] - [ -0.0001071300000000, -0.0000000300000000, -0.0006000900000000 ] - [ 0.0000585700000000, -0.0000216600000000, -0.0002875000000000 ] - [ -0.0000147500000000, -0.0000034900000000, -0.0002880200000000 ] - [ -0.0001124700000000, -0.0000002300000000, -0.0002017500000000 ] - [ -0.0000150600000000, 0.0000032100000000, -0.0002882300000000 ] - [ -0.0000834200000000, -0.0000000700000000, -0.0002014900000000 ] - [ -0.0001813000000000, -0.0000005000000000, -0.0003907600000000 ] - [ -0.0003789600000000, 0.0000551200000000, -0.0008275200000000 ] - [ -0.0224798000000000, -0.0033323900000000, -0.0081986300000000 ] - [ 0.0003307700000000, -0.0000000100000000, -0.0001835400000000 ] - [ -0.0018407000000000, 0.0000090800000000, 0.0003310600000000 ] - [ -0.0003426700000000, -0.0000536500000000, -0.0008332000000000 ] - [ -0.0001322100000000, 0.0000023900000000, -0.0002180100000000 ] - [ 0.0322319800000000, 0.2257156300000000, 0.0123074300000000 ] - [ -0.0006764400000000, 0.0000191500000000, -0.0012189900000000 ] - [ 0.0000990200000000, -0.0015007300000000, 0.0003962400000000 ] - [ -0.0136499800000000, -0.0030851400000000, -0.0161370200000000 ] - [ 0.0002359100000000, -0.0901040300000000, 0.0000399700000000 ] - [ -0.0004074700000000, 0.0001621200000000, 0.0001545600000000 ] - [ 0.0155257700000000, -0.0003477900000000, -0.0040570000000000 ] - [ 0.0002329000000000, 0.0000010200000000, -0.0003776900000000 ] - [ 0.0001457300000000, -0.0000003400000000, -0.0000176700000000 ] - [ -0.0000673100000000, -0.0000000200000000, -0.0006670000000000 ] - [ 0.0000586200000000, 0.0000203300000000, -0.0002878500000000 ] - [ -0.0001077100000000, -0.0000002400000000, -0.0006160100000000 ] - [ 0.0000989200000000, -0.0000295600000000, -0.0002948900000000 ] - [ -0.0000700500000000, -0.0000140100000000, -0.0002950300000000 ] - [ -0.0001141900000000, -0.0000001000000000, -0.0002023400000000 ] - [ -0.0000702200000000, 0.0000123100000000, -0.0002950400000000 ] - [ -0.0000886800000000, -0.0000001800000000, -0.0002166500000000 ] - [ -0.0000054100000000, 0.0000017600000000, -0.0003566800000000 ] - [ 0.0002559800000000, 0.0012696500000000, -0.0002490400000000 ] - [ -0.0257630200000000, -0.0040324500000000, -0.0075927000000000 ] - [ 0.0003183900000000, -0.0000004900000000, -0.0004551500000000 ] - [ -0.0146868400000000, -0.0028407500000000, -0.0181558000000000 ] - [ 0.0002651200000000, -0.0012699100000000, -0.0002449900000000 ] - [ 0.0002645900000000, 0.0000354400000000, -0.0017067800000000 ] - [ -0.0008215900000000, 0.0005702700000000, 0.0001639600000000 ] - [ -0.0005281500000000, -0.0000047900000000, 0.0001376700000000 ] - [ -0.0003923500000000, -0.0001473900000000, 0.0001428800000000 ] - [ -0.0017329300000000, 0.0000036100000000, 0.0005630300000000 ] - [ -0.0009015800000000, -0.0005524000000000, 0.0001964800000000 ] - [ 0.0000966900000000, 0.0015096400000000, 0.0003909500000000 ] - [ 0.0061623400000000, -0.0000581800000000, 0.0049169200000000 ] - [ 0.0001029900000000, 0.0000038100000000, -0.0003848700000000 ] - [ 0.0000722400000000, -0.0000046800000000, -0.0004148400000000 ] - [ 0.0047762600000000, -0.0006184800000000, 0.0037634700000000 ] - [ 0.0002609100000000, -0.0004465200000000, 0.0098661100000000 ] - [ 0.0001081500000000, -0.0006173300000000, 0.0096686300000000 ] - [ -0.0001064900000000, -0.0000024400000000, -0.0003650400000000 ] - [ 0.0087032300000000, -0.0005927000000000, -0.0029886300000000 ] - [ 0.0000765700000000, -0.0000345800000000, 0.0007069500000000 ] - [ -0.0003480300000000, -0.0000382500000000, -0.0000115500000000 ] - [ -0.0000065500000000, 0.0000480700000000, 0.0002490800000000 ] - [ -0.0001053800000000, 0.0000000300000000, -0.0000615300000000 ] - [ 0.0000255300000000, -0.0000649200000000, 0.0002870900000000 ] - [ -0.0003442900000000, 0.0000001600000000, -0.0003920000000000 ] - [ -0.0001093200000000, -0.0001268700000000, -0.0001663100000000 ] - [ -0.0002001800000000, 0.0000000600000000, 0.0001958100000000 ] - [ -0.0002280700000000, -0.0000008000000000, 0.0001773200000000 ] - [ -0.0000816700000000, -0.0000051600000000, 0.0000131500000000 ] - [ -0.0004883400000000, 0.0000001000000000, -0.0001722600000000 ] - [ -0.0001092600000000, 0.0001269100000000, -0.0001663000000000 ] - [ -0.0001004300000000, 0.0000000900000000, -0.0000482600000000 ] - [ -0.0000816800000000, 0.0000051700000000, 0.0000130400000000 ] - [ -0.0001749900000000, 0.0002734500000000, 0.0001884000000000 ] - [ 0.0001534100000000, -0.0000001800000000, 0.0001067700000000 ] - [ 0.0002608800000000, -0.0000000200000000, 0.0003014100000000 ] - [ -0.0001699400000000, -0.0002751600000000, 0.0001840900000000 ] - [ 0.0000103500000000, -0.0001260900000000, 0.0002335300000000 ] - [ 0.0002314200000000, -0.0001055100000000, 0.0004017100000000 ] - [ 0.0000050100000000, 0.0000069000000000, 0.0001620000000000 ] - [ -0.0000623000000000, 0.0001100700000000, 0.0001654400000000 ] - [ 0.0030464700000000, 0.0109221400000000, 0.0020133800000000 ] - [ 0.0014425600000000, -0.0000169900000000, -0.0023258400000000 ] - [ 0.0003696300000000, -0.0000006600000000, -0.0005239100000000 ] - [ 0.0004948800000000, 0.0028178800000000, 0.0014368700000000 ] - [ 0.0004896300000000, -0.0000555800000000, 0.0002536200000000 ] - [ 0.0022056700000000, 0.0032210900000000, -0.0001987600000000 ] - [ 0.0003960700000000, -0.0028449500000000, 0.0012454000000000 ] - [ 0.0124854500000000, -0.0342956300000000, -0.0144244700000000 ] - [ 0.0005613200000000, -0.0025545900000000, 0.0014966400000000 ] - [ -0.0021174000000000, -0.0099279400000000, 0.0026890000000000 ] - [ -0.0072812100000000, -0.0297353200000000, 0.0111600900000000 ] - [ -0.0000255400000000, -0.0000075900000000, 0.0005070500000000 ] - [ 0.0007694800000000, -0.0213525000000000, 0.0012337400000000 ] - [ 0.0007760200000000, 0.0026486800000000, 0.0016919200000000 ] - [ 0.0003256600000000, -0.0000729900000000, 0.0002449100000000 ] - [ 0.0012960700000000, 0.0108365500000000, 0.0021269000000000 ] - [ 0.0000496700000000, 0.0000113900000000, 0.0007919400000000 ] - [ -0.0020442800000000, -0.0001357300000000, 0.0032813700000000 ] - [ 0.0000459300000000, 0.0000628400000000, 0.0006280400000000 ] - [ -0.0001659900000000, 0.0002526700000000, 0.0006968400000000 ] - [ 0.0000251400000000, 0.0000649900000000, 0.0002867800000000 ] - [ -0.0000891600000000, 0.0000000300000000, -0.0000535500000000 ] - [ -0.0000064000000000, -0.0000480600000000, 0.0002489700000000 ] - [ -0.0003895000000000, 0.0000001100000000, -0.0003477000000000 ] - [ -0.0001058900000000, -0.0001247200000000, -0.0001733000000000 ] - [ -0.0002120300000000, 0.0000000500000000, 0.0001878500000000 ] - [ -0.0002365400000000, -0.0000002400000000, 0.0001946400000000 ] - [ -0.0000823300000000, -0.0000034600000000, 0.0000239600000000 ] - [ -0.0004492600000000, -0.0000001200000000, -0.0001914300000000 ] - [ -0.0001057900000000, 0.0001247700000000, -0.0001733500000000 ] - [ -0.0000856100000000, 0.0000000700000000, -0.0000383400000000 ] - [ -0.0000823400000000, 0.0000035300000000, 0.0000239200000000 ] - [ 0.0001486700000000, 0.0000447000000000, 0.0000990000000000 ] - [ 0.0002443900000000, 0.0000001200000000, 0.0000595700000000 ] - [ 0.0002732400000000, -0.0000000300000000, 0.0003101800000000 ] - [ 0.0001532100000000, -0.0000533900000000, 0.0001061400000000 ] - [ -0.0000625600000000, -0.0001098700000000, 0.0001663300000000 ] - [ -0.0014779800000000, -0.0000244000000000, 0.0019245100000000 ] - [ -0.0004305100000000, 0.0000005500000000, 0.0000218300000000 ] - [ 0.0000095200000000, 0.0001260100000000, 0.0002328100000000 ] - [ 0.0019867400000000, -0.0031340500000000, -0.0002700400000000 ] - [ 0.0005371200000000, -0.0000445000000000, -0.0002260100000000 ] - [ 0.0001957300000000, -0.0000132400000000, 0.0000213600000000 ] - [ 0.0002350200000000, -0.0002567600000000, -0.0007094700000000 ] - [ -0.0034036900000000, -0.0244336100000000, 0.0094310200000000 ] - [ 0.0005078900000000, -0.0208141400000000, 0.0007409900000000 ] - [ 0.0002213100000000, 0.0002527900000000, -0.0007167400000000 ] - [ 0.0004999000000000, -0.0001375700000000, -0.0004616200000000 ] - [ 0.0002832300000000, 0.0004037200000000, 0.0001337300000000 ] - [ 0.0011499400000000, -0.0002343200000000, -0.0000924000000000 ] - [ 0.0008313900000000, -0.0000354700000000, -0.0003425800000000 ] - [ 0.0001577000000000, -0.0000008400000000, 0.0001197300000000 ] - [ 0.0009451000000000, 0.0042469300000000, -0.0002259600000000 ] - [ 0.0002907100000000, -0.0004097800000000, 0.0001406900000000 ] - [ 0.0017281900000000, -0.0000235900000000, -0.0016606300000000 ] - [ 0.0008922900000000, -0.0041045900000000, -0.0002153100000000 ] - [ -0.0003870100000000, 0.0000029500000000, 0.0007981700000000 ] - [ 0.0004177200000000, -0.0002316000000000, 0.0007736100000000 ] - [ -0.0001635600000000, -0.0002573600000000, 0.0007015100000000 ] - [ 0.0000378600000000, -0.0000834300000000, 0.0006142200000000 ]- atom: 17 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001104400000000, -0.0000142600000000, 0.0033299600000000 ] - [ -0.0000912400000000, 0.0000103400000000, 0.0025321300000000 ] - [ -0.0000570800000000, 0.0000217400000000, 0.0030739100000000 ] - [ -0.0001834000000000, -0.0000022300000000, 0.0026377500000000 ] - [ 0.0002776600000000, -0.0000302100000000, 0.0029956900000000 ] - [ 0.0001177000000000, 0.0000080000000000, 0.0035659600000000 ] - [ 0.0000526300000000, 0.0000024000000000, 0.0034653100000000 ] - [ 0.0001001800000000, -0.0000074700000000, 0.0035493600000000 ] - [ -0.0002470500000000, -0.0000020600000000, 0.0032704700000000 ] - [ 0.0006762800000000, 0.0000590400000000, 0.0037089300000000 ] - [ 0.0013332700000000, 0.0003085200000000, 0.0031031200000000 ] - [ -0.0008468000000000, 0.0109166600000000, -0.0297653700000000 ] - [ 0.0002446000000000, -0.0000221600000000, 0.0025383000000000 ] - [ -0.0009572100000000, 0.0006715200000000, -0.0040084500000000 ] - [ 0.0032016600000000, -0.0004071700000000, 0.0047511900000000 ] - [ 0.0024171700000000, 0.0000914800000000, 0.0012908100000000 ] - [ -0.0365247300000000, -0.0160977300000000, -0.1882613200000000 ] - [ -0.0028038500000000, 0.0015872600000000, 0.0052294800000000 ] - [ -0.0014216300000000, 0.0004728600000000, 0.0023548200000000 ] - [ 0.0097776100000000, 0.0206582400000000, 0.0211838800000000 ] - [ 0.0123363100000000, 0.0000382200000000, -0.0460820800000000 ] - [ 0.0010955100000000, 0.0000936800000000, 0.0038868100000000 ] - [ -0.0146596100000000, -0.0001199800000000, -0.0015880500000000 ] - [ -0.0006672100000000, -0.0002466300000000, 0.0039548200000000 ] - [ 0.0001396500000000, -0.0000336500000000, 0.0044204900000000 ] - [ -0.0001079300000000, 0.0000117100000000, 0.0028022400000000 ] - [ 0.0002901500000000, 0.0000301700000000, 0.0030060500000000 ] - [ -0.0001686900000000, -0.0000016100000000, 0.0027317800000000 ] - [ -0.0000693800000000, -0.0000214600000000, 0.0030519900000000 ] - [ 0.0003890800000000, 0.0000400100000000, 0.0036064400000000 ] - [ 0.0000344100000000, 0.0000026100000000, 0.0034836500000000 ] - [ 0.0003730000000000, -0.0000399700000000, 0.0035958300000000 ] - [ -0.0002133200000000, -0.0000020500000000, 0.0033811200000000 ] - [ -0.0003811300000000, 0.0001325200000000, 0.0034491300000000 ] - [ -0.0013737800000000, -0.0004009500000000, 0.0012903300000000 ] - [ 0.0014673100000000, 0.0117392100000000, -0.0326706600000000 ] - [ 0.0001989100000000, -0.0000401300000000, 0.0037042800000000 ] - [ 0.0100138300000000, 0.0215420900000000, 0.0229445200000000 ] - [ -0.0011187000000000, 0.0004082300000000, 0.0014037800000000 ] - [ -0.0026278400000000, 0.0017046200000000, 0.0048917600000000 ] - [ -0.0003192700000000, 0.0000124500000000, -0.0123191500000000 ] - [ 0.0018866500000000, 0.0001236000000000, 0.0019476800000000 ] - [ 0.0028793500000000, -0.0002453700000000, 0.0055082900000000 ] - [ -0.0007041000000000, 0.0007796600000000, -0.0024338300000000 ] - [ 0.0026171600000000, 0.0000088400000000, -0.0117083600000000 ] - [ -0.0017000500000000, -0.0004601000000000, 0.0022034900000000 ] - [ 0.0129508800000000, -0.0131694500000000, 0.0014916400000000 ] - [ 0.0006053900000000, -0.0000663500000000, 0.0030630500000000 ] - [ -0.0006013700000000, -0.0001193500000000, 0.0023598700000000 ] - [ 0.0095098400000000, -0.0074765500000000, 0.0007404700000000 ] - [ -0.0040728800000000, -0.0041157900000000, 0.0092792900000000 ] - [ -0.0049636800000000, -0.0048026900000000, 0.0085963000000000 ] - [ 0.0002271100000000, -0.0000285500000000, 0.0018052100000000 ] - [ -0.0097485700000000, 0.0007649900000000, -0.0014040600000000 ] - [ 0.0023851800000000, 0.0005465200000000, -0.0002326200000000 ] - [ 0.0025679400000000, 0.0005743000000000, -0.0012171200000000 ] - [ -0.0000891400000000, -0.0003202600000000, -0.0017173000000000 ] - [ -0.0000780300000000, -0.0000017300000000, -0.0027147500000000 ] - [ -0.0003486100000000, 0.0003968800000000, -0.0019959900000000 ] - [ -0.0000399100000000, -0.0000050900000000, -0.0023471200000000 ] - [ -0.0004048900000000, 0.0000503400000000, -0.0023320800000000 ] - [ -0.0001316900000000, 0.0000018700000000, -0.0021450600000000 ] - [ -0.0003380300000000, 0.0000098500000000, -0.0025816300000000 ] - [ -0.0001169800000000, 0.0001241700000000, -0.0023086000000000 ] - [ -0.0001852800000000, 0.0000089600000000, -0.0025973000000000 ] - [ -0.0004045000000000, -0.0000502500000000, -0.0023336900000000 ] - [ 0.0000751000000000, 0.0000019200000000, -0.0023908800000000 ] - [ -0.0001194700000000, -0.0001247200000000, -0.0023046300000000 ] - [ 0.0006743500000000, -0.0000879600000000, -0.0020624700000000 ] - [ 0.0004961000000000, -0.0000124400000000, -0.0024374500000000 ] - [ 0.0005904800000000, -0.0000018000000000, -0.0022666900000000 ] - [ 0.0010732600000000, -0.0000337100000000, -0.0024688900000000 ] - [ -0.0005400200000000, -0.0003010500000000, -0.0022123000000000 ] - [ -0.0023380700000000, 0.0009665600000000, -0.0023938100000000 ] - [ -0.0007189100000000, 0.0002562100000000, -0.0031748800000000 ] - [ -0.0001751900000000, 0.0003700900000000, -0.0019258800000000 ] - [ -0.0040118000000000, -0.0034071500000000, 0.0140118600000000 ] - [ 0.0022458300000000, 0.0001238700000000, -0.0006409500000000 ] - [ 0.0003438700000000, 0.0000075200000000, -0.0016965400000000 ] - [ -0.0006122900000000, -0.0007299800000000, -0.0034377000000000 ] - [ -0.0038551400000000, -0.0018969500000000, 0.0068583400000000 ] - [ 0.0039786900000000, -0.0000683100000000, 0.0059145100000000 ] - [ -0.0000507100000000, -0.0010872800000000, -0.0087551900000000 ] - [ -0.0055150100000000, 0.0120754600000000, 0.0378893500000000 ] - [ -0.0000629500000000, -0.0010953700000000, -0.0077516100000000 ] - [ 0.0033988200000000, -0.0000947300000000, 0.0247248600000000 ] - [ 0.0000711400000000, -0.0106678600000000, 0.0373240400000000 ] - [ -0.0005001700000000, -0.0004235500000000, -0.0035654300000000 ] - [ 0.0016424100000000, -0.0020578500000000, 0.0255450900000000 ] - [ -0.0006961800000000, -0.0009355400000000, -0.0026286400000000 ] - [ -0.0021786300000000, -0.0019413800000000, -0.0020024600000000 ] - [ -0.0023772900000000, -0.0000256200000000, 0.0131146300000000 ] - [ 0.0002449700000000, 0.0004043900000000, -0.0023005300000000 ] - [ 0.0028959600000000, -0.0001119200000000, -0.0015365600000000 ] - [ -0.0012155900000000, 0.0004687900000000, -0.0014486500000000 ] - [ 0.0004935400000000, -0.0005704200000000, -0.0012396900000000 ] - [ -0.0003562500000000, -0.0004053300000000, -0.0020330100000000 ] - [ -0.0001994700000000, -0.0000031900000000, -0.0027898500000000 ] - [ -0.0001051400000000, 0.0003162000000000, -0.0016908400000000 ] - [ 0.0002406700000000, -0.0000085000000000, -0.0026052600000000 ] - [ -0.0004130800000000, 0.0000442400000000, -0.0022966100000000 ] - [ -0.0000157400000000, 0.0000013200000000, -0.0020960100000000 ] - [ -0.0001101100000000, 0.0000174100000000, -0.0028311600000000 ] - [ -0.0001000500000000, 0.0001223600000000, -0.0023977700000000 ] - [ -0.0004028800000000, 0.0000049900000000, -0.0024839300000000 ] - [ -0.0004116500000000, -0.0000443400000000, -0.0022985900000000 ] - [ -0.0000019500000000, 0.0000016900000000, -0.0024453200000000 ] - [ -0.0001016400000000, -0.0001224700000000, -0.0023935500000000 ] - [ -0.0008043900000000, -0.0000070600000000, -0.0020368200000000 ] - [ 0.0001249200000000, -0.0000066300000000, -0.0022345000000000 ] - [ 0.0005329800000000, -0.0000020200000000, -0.0023281500000000 ] - [ -0.0008545100000000, -0.0000105300000000, -0.0022043500000000 ] - [ -0.0002029900000000, -0.0003556200000000, -0.0018694100000000 ] - [ 0.0023076500000000, -0.0002622700000000, -0.0015540200000000 ] - [ 0.0003345100000000, -0.0000304200000000, -0.0018533500000000 ] - [ -0.0005559900000000, 0.0003018800000000, -0.0022625600000000 ] - [ 0.0019339600000000, -0.0004681400000000, 0.0083593700000000 ] - [ -0.0021756100000000, -0.0017767400000000, -0.0029379900000000 ] - [ -0.0002691600000000, -0.0004689300000000, -0.0041085800000000 ] - [ -0.0004321300000000, -0.0000314500000000, 0.0002974400000000 ] - [ -0.0003001600000000, -0.0103379100000000, 0.0398332100000000 ] - [ 0.0215277000000000, -0.0031943000000000, 0.0418501400000000 ] - [ -0.0001941500000000, -0.0000004000000000, 0.0001469300000000 ] - [ -0.0028634200000000, 0.0009070300000000, 0.0052295100000000 ] - [ 0.0000145500000000, 0.0002410600000000, 0.0006714500000000 ] - [ -0.0038982000000000, 0.0015190100000000, 0.0054386200000000 ] - [ -0.0046515400000000, -0.0020338400000000, 0.0067428900000000 ] - [ 0.0002276800000000, 0.0000118700000000, -0.0013113500000000 ] - [ 0.0048455700000000, -0.0005387200000000, 0.0062249700000000 ] - [ -0.0002398100000000, -0.0002952900000000, 0.0008775600000000 ] - [ 0.0020769600000000, 0.0000663900000000, -0.0000487000000000 ] - [ 0.0022928900000000, 0.0003600500000000, 0.0087446800000000 ] - [ 0.0007257000000000, -0.0000061100000000, -0.0009834500000000 ] - [ -0.0021213800000000, 0.0015950400000000, -0.0025492600000000 ] - [ 0.0009404000000000, 0.0007155600000000, -0.0016984900000000 ] - [ -0.0011111400000000, -0.0004173800000000, -0.0012315500000000 ]- atom: 17 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001784000000000, 0.0000142000000000, -0.0027225000000000 ] - [ -0.0000322300000000, -0.0000100200000000, -0.0032976900000000 ] - [ 0.0002154600000000, 0.0000575800000000, -0.0031326500000000 ] - [ -0.0000465700000000, 0.0000024400000000, -0.0033513500000000 ] - [ -0.0001167200000000, -0.0000487200000000, -0.0030552100000000 ] - [ -0.0001552800000000, 0.0000006400000000, -0.0035649500000000 ] - [ -0.0002512000000000, -0.0000022600000000, -0.0032991400000000 ] - [ -0.0001375000000000, -0.0000008300000000, -0.0035481000000000 ] - [ 0.0000499800000000, 0.0000022100000000, -0.0031455700000000 ] - [ -0.0006859000000000, -0.0000594200000000, -0.0037737900000000 ] - [ -0.0011432600000000, -0.0004573300000000, -0.0038437200000000 ] - [ 0.0008375100000000, -0.0109578000000000, 0.0292777600000000 ] - [ 0.0003623200000000, 0.0000227400000000, -0.0027786700000000 ] - [ 0.0010097000000000, -0.0006693300000000, 0.0033714200000000 ] - [ -0.0030456200000000, 0.0005593000000000, -0.0055128100000000 ] - [ -0.0017159200000000, -0.0000922300000000, -0.0016180200000000 ] - [ 0.0373744100000000, 0.0168170400000000, 0.1884951000000000 ] - [ 0.0025322300000000, -0.0015579100000000, -0.0046236400000000 ] - [ 0.0012030000000000, -0.0002388400000000, -0.0014088800000000 ] - [ -0.0092441400000000, -0.0203683200000000, -0.0198846100000000 ] - [ -0.0122124800000000, -0.0000960500000000, 0.0460769000000000 ] - [ -0.0013064700000000, -0.0003263400000000, -0.0029365000000000 ] - [ 0.0150675900000000, 0.0001482900000000, 0.0023037700000000 ] - [ 0.0007263100000000, 0.0002429500000000, -0.0041824600000000 ] - [ 0.0001493200000000, 0.0000331000000000, -0.0038051800000000 ] - [ -0.0000155700000000, -0.0000113100000000, -0.0035658400000000 ] - [ -0.0001289400000000, 0.0000491100000000, -0.0030655600000000 ] - [ -0.0000610700000000, 0.0000018400000000, -0.0034455300000000 ] - [ 0.0002275700000000, -0.0000575100000000, -0.0031109900000000 ] - [ -0.0004287500000000, -0.0000314800000000, -0.0036054500000000 ] - [ -0.0002338000000000, -0.0000024300000000, -0.0033170600000000 ] - [ -0.0004124200000000, 0.0000318000000000, -0.0035947100000000 ] - [ 0.0000162800000000, 0.0000021600000000, -0.0032557900000000 ] - [ 0.0003795300000000, -0.0001345800000000, -0.0035126500000000 ] - [ 0.0015768100000000, 0.0002535700000000, -0.0020252200000000 ] - [ -0.0012553200000000, -0.0116733300000000, 0.0323040700000000 ] - [ 0.0004083100000000, 0.0000411300000000, -0.0039537600000000 ] - [ -0.0101003900000000, -0.0218618500000000, -0.0238439300000000 ] - [ 0.0013172300000000, -0.0002604900000000, -0.0021400500000000 ] - [ 0.0033676200000000, -0.0017356400000000, -0.0052401400000000 ] - [ 0.0004388100000000, 0.0000764800000000, 0.0123217400000000 ] - [ -0.0021227600000000, -0.0001227300000000, -0.0013595600000000 ] - [ -0.0030586600000000, 0.0004751700000000, -0.0045370700000000 ] - [ 0.0011244100000000, -0.0007813200000000, 0.0035022400000000 ] - [ -0.0024961500000000, -0.0000975500000000, 0.0117103400000000 ] - [ 0.0014769900000000, 0.0002268400000000, -0.0012593600000000 ] - [ -0.0124811500000000, 0.0131620700000000, -0.0007468000000000 ] - [ -0.0005374300000000, 0.0000665100000000, -0.0032962400000000 ] - [ 0.0004364200000000, 0.0001154100000000, -0.0027910200000000 ] - [ -0.0095117600000000, 0.0074826800000000, -0.0006989700000000 ] - [ 0.0042760800000000, 0.0040256100000000, -0.0082110900000000 ] - [ 0.0050094800000000, 0.0049037900000000, -0.0091622600000000 ] - [ -0.0003973600000000, 0.0000227800000000, -0.0022327300000000 ] - [ 0.0098075800000000, -0.0007919600000000, 0.0014655000000000 ] - [ -0.0021193000000000, -0.0005568900000000, 0.0012493700000000 ] - [ -0.0025897300000000, -0.0005618700000000, 0.0007114200000000 ] - [ 0.0000735000000000, 0.0003930200000000, 0.0019306400000000 ] - [ -0.0001260900000000, 0.0000020100000000, 0.0021960000000000 ] - [ 0.0003310200000000, -0.0004688300000000, 0.0022075400000000 ] - [ -0.0006439500000000, 0.0000051900000000, 0.0013210400000000 ] - [ 0.0001413300000000, -0.0002769000000000, 0.0016636100000000 ] - [ -0.0002566500000000, -0.0000016800000000, 0.0021640100000000 ] - [ -0.0001018100000000, -0.0000096900000000, 0.0024505700000000 ] - [ -0.0000523100000000, -0.0001064600000000, 0.0019792800000000 ] - [ -0.0007328500000000, -0.0000089700000000, 0.0018599700000000 ] - [ 0.0001409300000000, 0.0002771700000000, 0.0016652700000000 ] - [ -0.0002357300000000, -0.0000016400000000, 0.0019275300000000 ] - [ -0.0000497700000000, 0.0001073300000000, 0.0019752900000000 ] - [ -0.0007300200000000, 0.0001694400000000, 0.0019442200000000 ] - [ -0.0001036000000000, 0.0000127700000000, 0.0022736200000000 ] - [ -0.0000084000000000, 0.0000020300000000, 0.0024880300000000 ] - [ -0.0011356300000000, -0.0000452200000000, 0.0023570400000000 ] - [ 0.0004406900000000, 0.0000049200000000, 0.0022554000000000 ] - [ 0.0022502800000000, -0.0009687500000000, 0.0025297900000000 ] - [ 0.0003645600000000, -0.0002610900000000, 0.0024947500000000 ] - [ 0.0000732000000000, -0.0000743000000000, 0.0019675500000000 ] - [ 0.0039590900000000, 0.0033277100000000, -0.0137255400000000 ] - [ -0.0019887300000000, -0.0001286900000000, 0.0001470400000000 ] - [ -0.0000027800000000, -0.0000075100000000, 0.0012561300000000 ] - [ 0.0004260800000000, 0.0006739500000000, 0.0024075700000000 ] - [ 0.0040728500000000, 0.0018993500000000, -0.0065403700000000 ] - [ -0.0040005900000000, 0.0001633300000000, -0.0056160800000000 ] - [ -0.0001201300000000, 0.0011782500000000, 0.0078124800000000 ] - [ 0.0055612500000000, -0.0129310600000000, -0.0388535200000000 ] - [ 0.0000968400000000, 0.0013906200000000, 0.0080866100000000 ] - [ -0.0028554400000000, 0.0005948500000000, -0.0239535000000000 ] - [ 0.0003381600000000, 0.0111319600000000, -0.0378224300000000 ] - [ 0.0004064300000000, 0.0004150200000000, 0.0042999200000000 ] - [ -0.0004448400000000, 0.0024614400000000, -0.0236918400000000 ] - [ 0.0007464700000000, 0.0006043200000000, 0.0030490500000000 ] - [ 0.0022986900000000, 0.0019372300000000, 0.0031184900000000 ] - [ 0.0023725800000000, -0.0003477500000000, -0.0121903300000000 ] - [ -0.0001332400000000, -0.0003960800000000, 0.0029754000000000 ] - [ -0.0024889900000000, 0.0001031800000000, 0.0016364500000000 ] - [ 0.0010727600000000, -0.0002202500000000, 0.0024187000000000 ] - [ -0.0006274900000000, 0.0003223200000000, 0.0022117000000000 ] - [ 0.0003385600000000, 0.0004773900000000, 0.0022439400000000 ] - [ -0.0000056300000000, 0.0000033500000000, 0.0022706600000000 ] - [ 0.0000891600000000, -0.0003887100000000, 0.0019044900000000 ] - [ -0.0009224600000000, 0.0000084400000000, 0.0015772800000000 ] - [ 0.0001498800000000, -0.0002704900000000, 0.0016279000000000 ] - [ -0.0003717200000000, -0.0000010500000000, 0.0021151500000000 ] - [ -0.0003280200000000, -0.0000168700000000, 0.0026983900000000 ] - [ -0.0000687600000000, -0.0001044600000000, 0.0020679200000000 ] - [ -0.0005137200000000, -0.0000048200000000, 0.0017455200000000 ] - [ 0.0001485900000000, 0.0002710100000000, 0.0016299100000000 ] - [ -0.0001580100000000, -0.0000015200000000, 0.0019819200000000 ] - [ -0.0000672200000000, 0.0001050800000000, 0.0020637100000000 ] - [ 0.0007573000000000, 0.0000879300000000, 0.0019198200000000 ] - [ 0.0002702900000000, 0.0000068600000000, 0.0020691200000000 ] - [ 0.0000493700000000, 0.0000022600000000, 0.0025494800000000 ] - [ 0.0008072400000000, -0.0000702000000000, 0.0020873800000000 ] - [ 0.0001014300000000, 0.0000598800000000, 0.0019101900000000 ] - [ -0.0024198900000000, 0.0002697400000000, 0.0016817100000000 ] - [ -0.0006960600000000, 0.0000310700000000, 0.0011637300000000 ] - [ 0.0004570500000000, -0.0000054300000000, 0.0023064200000000 ] - [ -0.0019671200000000, 0.0003739700000000, -0.0080614300000000 ] - [ 0.0024563200000000, 0.0017807300000000, 0.0024432800000000 ] - [ 0.0006163400000000, 0.0004786000000000, 0.0036864000000000 ] - [ 0.0002564100000000, -0.0000321700000000, -0.0013185200000000 ] - [ 0.0001273100000000, 0.0096804600000000, -0.0390902100000000 ] - [ -0.0235935800000000, 0.0031263900000000, -0.0428252700000000 ] - [ 0.0000197100000000, 0.0000642600000000, -0.0011675500000000 ] - [ 0.0024835900000000, -0.0009046800000000, -0.0056339300000000 ] - [ 0.0000219500000000, 0.0000814200000000, -0.0002629200000000 ] - [ 0.0047067100000000, -0.0015211200000000, -0.0051455100000000 ] - [ 0.0047710900000000, 0.0020272100000000, -0.0070323000000000 ] - [ -0.0003158100000000, -0.0000113800000000, 0.0020622400000000 ] - [ -0.0048790300000000, 0.0009072500000000, -0.0053157400000000 ] - [ 0.0002767400000000, -0.0000269400000000, -0.0004687800000000 ] - [ -0.0019372100000000, -0.0000609900000000, 0.0011682500000000 ] - [ -0.0023128300000000, -0.0007302000000000, -0.0078335000000000 ] - [ -0.0006119200000000, 0.0000061600000000, 0.0016677800000000 ] - [ 0.0025099700000000, -0.0015961500000000, 0.0026385900000000 ] - [ -0.0010668300000000, -0.0004649300000000, 0.0026636900000000 ] - [ 0.0009676400000000, 0.0001690600000000, 0.0022012500000000 ]- atom: 18 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0047186200000000, 0.0000000000000000, -0.0039203700000000 ] - [ 0.0022573500000000, 0.0000000000000000, -0.0027872000000000 ] - [ -0.0019380000000000, -0.0013922200000000, -0.0027191000000000 ] - [ -0.0001213100000000, 0.0000000000000000, -0.0009143500000000 ] - [ 0.0035711600000000, 0.0000600100000000, 0.0011271500000000 ] - [ 0.0001909900000000, -0.0000086000000000, -0.0000329200000000 ] - [ 0.0007343200000000, 0.0000000000000000, 0.0001107400000000 ] - [ 0.0001909900000000, 0.0000086000000000, -0.0000329200000000 ] - [ 0.0006765900000000, 0.0000000000000000, -0.0007303400000000 ] - [ -0.0000718800000000, 0.0000000000000000, -0.0000099500000000 ] - [ -0.0000838000000000, -0.0000794400000000, -0.0003866200000000 ] - [ 0.0029672400000000, 0.0000000000000000, -0.0027256200000000 ] - [ 0.0003092200000000, 0.0000000000000000, -0.0001348400000000 ] - [ 0.0008250000000000, 0.0000000000000000, -0.0001489700000000 ] - [ -0.0000838000000000, 0.0000794400000000, -0.0003866200000000 ] - [ 0.0002638100000000, 0.0000000000000000, -0.0000242400000000 ] - [ -0.0018245100000000, 0.0005970600000000, -0.0024156700000000 ] - [ -0.2338599700000000, 0.0000000000000000, 0.0309771100000000 ] - [ 0.0322679200000000, -0.0233591200000000, -0.0037579300000000 ] - [ 0.0080284600000000, 0.0000000000000000, -0.0259629300000000 ] - [ -0.0018245100000000, -0.0005970600000000, -0.0024156700000000 ] - [ 0.0315544700000000, 0.0243505200000000, -0.0034949000000000 ] - [ -0.0063520200000000, 0.0000000000000000, 0.0222149500000000 ] - [ -0.0249326700000000, 0.0000000000000000, -0.0039486800000000 ] - [ -0.0040412200000000, 0.0000000000000000, 0.0241016400000000 ] - [ -0.0047528100000000, 0.0000000000000000, 0.0016596700000000 ] - [ 0.0035711600000000, -0.0000600100000000, 0.0011271500000000 ] - [ -0.0001041800000000, 0.0000000000000000, 0.0004654400000000 ] - [ -0.0019380000000000, 0.0013922200000000, -0.0027191000000000 ] - [ -0.0002040800000000, -0.0000158800000000, 0.0000109800000000 ] - [ -0.0008488900000000, 0.0000000000000000, -0.0001479000000000 ] - [ -0.0002040800000000, 0.0000158800000000, 0.0000109800000000 ] - [ -0.0009918900000000, 0.0000000000000000, 0.0009233200000000 ] - [ 0.0000664100000000, 0.0000000000000000, -0.0000692300000000 ] - [ 0.0002956600000000, -0.0000598800000000, -0.0003842500000000 ] - [ -0.0047420500000000, 0.0000000000000000, 0.0024797500000000 ] - [ 0.0002968200000000, 0.0000000000000000, -0.0001090600000000 ] - [ -0.0006629100000000, 0.0000000000000000, -0.0006679200000000 ] - [ 0.0002956600000000, 0.0000598800000000, -0.0003842500000000 ] - [ 0.0004254600000000, 0.0000000000000000, -0.0003260300000000 ] - [ 0.0032431400000000, 0.0004483900000000, 0.0015661300000000 ] - [ 0.0113796500000000, 0.0000000000000000, -0.0018233500000000 ] - [ 0.0315544700000000, -0.0243505200000000, -0.0034949000000000 ] - [ 0.0060288900000000, 0.0000000000000000, 0.0050119000000000 ] - [ 0.0032431400000000, -0.0004483900000000, 0.0015661300000000 ] - [ 0.0322679200000000, 0.0233591200000000, -0.0037579300000000 ] - [ 0.0065637100000000, 0.0000000000000000, -0.0035994000000000 ] - [ 0.0134043400000000, 0.0000000000000000, -0.0009653600000000 ] - [ -0.0000665000000000, 0.0000000000000000, -0.0002396600000000 ] - [ -0.0006874600000000, 0.0000000000000000, 0.0005104200000000 ] - [ -0.0168625300000000, 0.0000000000000000, 0.0042494700000000 ] - [ 0.0000314800000000, 0.0000000000000000, -0.0007034300000000 ] - [ -0.0001014700000000, 0.0000000000000000, -0.0001993200000000 ] - [ 0.0006581500000000, 0.0000000000000000, -0.0004753400000000 ] - [ 0.0098999600000000, 0.0000000000000000, 0.0006179700000000 ] - [ -0.0000632700000000, 0.0000000000000000, 0.0003074900000000 ] - [ -0.0008566600000000, 0.0005489800000000, 0.0030057700000000 ] - [ 0.0007117400000000, 0.0000000000000000, 0.0005496300000000 ] - [ -0.0011456100000000, 0.0027597200000000, -0.0053208800000000 ] - [ -0.0030906400000000, 0.0000000000000000, 0.0000486100000000 ] - [ -0.0004241600000000, -0.0001522400000000, -0.0005372200000000 ] - [ -0.0010527800000000, 0.0000000000000000, -0.0010325900000000 ] - [ -0.0033468200000000, 0.0000000000000000, 0.0002281100000000 ] - [ -0.0011116800000000, 0.0000923500000000, 0.0002455900000000 ] - [ -0.0005126300000000, 0.0000000000000000, -0.0003833900000000 ] - [ -0.0004241600000000, 0.0001522400000000, -0.0005372200000000 ] - [ -0.0002549700000000, 0.0000000000000000, -0.0000770900000000 ] - [ -0.0011116800000000, -0.0000923500000000, 0.0002455900000000 ] - [ -0.0000656000000000, 0.0000439600000000, -0.0000082700000000 ] - [ 0.0001363100000000, 0.0000000000000000, -0.0000750600000000 ] - [ 0.0001046300000000, 0.0000000000000000, 0.0003104100000000 ] - [ -0.0000656000000000, -0.0000439600000000, -0.0000082700000000 ] - [ -0.0000222500000000, -0.0001564400000000, 0.0000083200000000 ] - [ 0.0001076800000000, 0.0000000000000000, 0.0000004600000000 ] - [ -0.0001219700000000, 0.0000000000000000, -0.0003158100000000 ] - [ -0.0000795200000000, 0.0001426000000000, 0.0000587100000000 ] - [ 0.0012974900000000, 0.0001114300000000, 0.0003367800000000 ] - [ -0.0000548200000000, 0.0000000000000000, -0.0001409300000000 ] - [ 0.0001201900000000, 0.0000000000000000, -0.0002620500000000 ] - [ 0.0000581600000000, -0.0000265100000000, -0.0002902700000000 ] - [ -0.0031548300000000, 0.0000000000000000, 0.0000629800000000 ] - [ -0.0011933700000000, 0.0000522500000000, 0.0004258900000000 ] - [ 0.0000581600000000, 0.0000265100000000, -0.0002902700000000 ] - [ 0.0003863600000000, 0.0000000000000000, 0.0009238400000000 ] - [ 0.0233929600000000, -0.0015524900000000, 0.0001598900000000 ] - [ 0.0078121100000000, 0.0000000000000000, 0.0015262800000000 ] - [ 0.0007169700000000, 0.0000000000000000, 0.0009047200000000 ] - [ 0.0309195200000000, 0.0000000000000000, 0.0067704700000000 ] - [ -0.0016064100000000, 0.0002659800000000, 0.0048195100000000 ] - [ 0.0233929600000000, 0.0015524900000000, 0.0001598900000000 ] - [ -0.0096435600000000, 0.0000000000000000, 0.0062158900000000 ] - [ -0.0016064100000000, -0.0002659800000000, 0.0048195100000000 ] - [ 0.0071086600000000, 0.0000000000000000, -0.0039746500000000 ] - [ 0.0108481300000000, 0.0000000000000000, -0.0097465600000000 ] - [ -0.0098500400000000, -0.0017409900000000, -0.0000222400000000 ] - [ 0.0378284700000000, -0.0208917500000000, -0.0101255400000000 ] - [ -0.0011456100000000, -0.0027597200000000, -0.0053208800000000 ] - [ -0.0010356300000000, 0.0000000000000000, -0.0020384000000000 ] - [ -0.0008566600000000, -0.0005489800000000, 0.0030057700000000 ] - [ 0.0055244800000000, 0.0000000000000000, -0.0021780500000000 ] - [ 0.0001059100000000, -0.0001085200000000, -0.0001511900000000 ] - [ 0.0002430800000000, 0.0000000000000000, 0.0011604400000000 ] - [ 0.0043174300000000, 0.0000000000000000, 0.0049277900000000 ] - [ 0.0012216600000000, -0.0004043000000000, -0.0001242900000000 ] - [ -0.0003915400000000, 0.0000000000000000, -0.0003590800000000 ] - [ 0.0001059100000000, 0.0001085200000000, -0.0001511900000000 ] - [ 0.0001444300000000, 0.0000000000000000, -0.0003756300000000 ] - [ 0.0012216600000000, 0.0004043000000000, -0.0001242900000000 ] - [ 0.0000187800000000, 0.0000422600000000, -0.0000840000000000 ] - [ 0.0002495500000000, 0.0000000000000000, -0.0000653400000000 ] - [ 0.0004575800000000, 0.0000000000000000, 0.0000061600000000 ] - [ 0.0000187800000000, -0.0000422600000000, -0.0000840000000000 ] - [ -0.0000795200000000, -0.0001426000000000, 0.0000587100000000 ] - [ -0.0002054200000000, 0.0000000000000000, 0.0001759700000000 ] - [ -0.0002463900000000, 0.0000000000000000, -0.0003503300000000 ] - [ -0.0000222500000000, 0.0001564400000000, 0.0000083200000000 ] - [ -0.0011933700000000, -0.0000522500000000, 0.0004258900000000 ] - [ 0.0003468400000000, 0.0000000000000000, -0.0003067000000000 ] - [ 0.0002191000000000, 0.0000000000000000, -0.0001650800000000 ] - [ -0.0002624200000000, -0.0000175600000000, -0.0007221100000000 ] - [ 0.0042902100000000, 0.0000000000000000, 0.0031002000000000 ] - [ 0.0012974900000000, -0.0001114300000000, 0.0003367800000000 ] - [ -0.0002624200000000, 0.0000175600000000, -0.0007221100000000 ] - [ -0.0010816400000000, 0.0000000000000000, -0.0012052500000000 ] - [ -0.0083110800000000, 0.0022205600000000, -0.0001218000000000 ] - [ -0.0032075700000000, 0.0000000000000000, -0.0003513800000000 ] - [ -0.0007790700000000, 0.0000000000000000, -0.0020860400000000 ] - [ -0.0060146100000000, 0.0000000000000000, 0.0021056400000000 ] - [ -0.0011710600000000, 0.0026805700000000, -0.0054604600000000 ] - [ -0.0083110800000000, -0.0022205600000000, -0.0001218000000000 ] - [ -0.0013392500000000, 0.0000000000000000, -0.0042879200000000 ] - [ -0.0011710600000000, -0.0026805700000000, -0.0054604600000000 ] - [ -0.0127926700000000, 0.0000000000000000, 0.0057974000000000 ] - [ -0.0065036100000000, 0.0000000000000000, 0.0007558200000000 ] - [ 0.0378284700000000, 0.0208917500000000, -0.0101255400000000 ] - [ -0.0098500400000000, 0.0017409900000000, -0.0000222400000000 ]- atom: 18 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0044065200000000, 0.0000000000000000, 0.0045153600000000 ] - [ -0.0023726900000000, 0.0000000000000000, 0.0020184400000000 ] - [ 0.0021089100000000, 0.0014706600000000, 0.0026337600000000 ] - [ -0.0001071800000000, 0.0000000000000000, 0.0002001100000000 ] - [ -0.0034132700000000, -0.0001402500000000, -0.0011912100000000 ] - [ -0.0002283000000000, 0.0000169800000000, 0.0000461700000000 ] - [ -0.0009320700000000, 0.0000000000000000, 0.0000560500000000 ] - [ -0.0002283000000000, -0.0000169800000000, 0.0000461700000000 ] - [ -0.0008702800000000, 0.0000000000000000, 0.0008522800000000 ] - [ 0.0000657700000000, 0.0000000000000000, -0.0000378100000000 ] - [ 0.0002806500000000, -0.0000680900000000, -0.0003540100000000 ] - [ -0.0028823000000000, 0.0000000000000000, 0.0023053400000000 ] - [ 0.0002977300000000, 0.0000000000000000, -0.0000906200000000 ] - [ -0.0007693200000000, 0.0000000000000000, -0.0005116200000000 ] - [ 0.0002806500000000, 0.0000680900000000, -0.0003540100000000 ] - [ 0.0004454600000000, 0.0000000000000000, -0.0003068200000000 ] - [ 0.0019407500000000, -0.0005146600000000, 0.0024288100000000 ] - [ 0.2322460000000000, 0.0000000000000000, -0.0309015700000000 ] - [ -0.0327921800000000, 0.0239912600000000, 0.0047309200000000 ] - [ -0.0076687600000000, 0.0000000000000000, 0.0269031400000000 ] - [ 0.0019407500000000, 0.0005146600000000, 0.0024288100000000 ] - [ -0.0314687500000000, -0.0242659500000000, 0.0044146400000000 ] - [ 0.0067511800000000, 0.0000000000000000, -0.0214912800000000 ] - [ 0.0249079600000000, 0.0000000000000000, 0.0036450800000000 ] - [ 0.0043169300000000, 0.0000000000000000, -0.0234721300000000 ] - [ 0.0046117700000000, 0.0000000000000000, -0.0024355700000000 ] - [ -0.0034132700000000, 0.0001402500000000, -0.0011912100000000 ] - [ -0.0001271500000000, 0.0000000000000000, -0.0011764400000000 ] - [ 0.0021089100000000, -0.0014706600000000, 0.0026337600000000 ] - [ 0.0001661900000000, 0.0000242300000000, 0.0000011700000000 ] - [ 0.0006517200000000, 0.0000000000000000, 0.0003095800000000 ] - [ 0.0001661900000000, -0.0000242300000000, 0.0000011700000000 ] - [ 0.0007890400000000, 0.0000000000000000, -0.0008040200000000 ] - [ -0.0000724500000000, 0.0000000000000000, 0.0000216800000000 ] - [ -0.0000993300000000, -0.0000878100000000, -0.0003568000000000 ] - [ 0.0048458600000000, 0.0000000000000000, -0.0029010700000000 ] - [ 0.0003095000000000, 0.0000000000000000, -0.0001161000000000 ] - [ 0.0007199300000000, 0.0000000000000000, 0.0000099200000000 ] - [ -0.0000993300000000, 0.0000878100000000, -0.0003568000000000 ] - [ 0.0002829400000000, 0.0000000000000000, -0.0000041900000000 ] - [ -0.0031276800000000, -0.0003643400000000, -0.0015660100000000 ] - [ -0.0116225000000000, 0.0000000000000000, 0.0024085600000000 ] - [ -0.0314687500000000, 0.0242659500000000, 0.0044146400000000 ] - [ -0.0056099100000000, 0.0000000000000000, -0.0039375800000000 ] - [ -0.0031276800000000, 0.0003643400000000, -0.0015660100000000 ] - [ -0.0327921800000000, -0.0239912600000000, 0.0047309200000000 ] - [ -0.0061986200000000, 0.0000000000000000, 0.0043577500000000 ] - [ -0.0133898500000000, 0.0000000000000000, 0.0007549500000000 ] - [ -0.0001015300000000, 0.0000000000000000, -0.0001854100000000 ] - [ 0.0007470500000000, 0.0000000000000000, -0.0004768200000000 ] - [ 0.0171523900000000, 0.0000000000000000, -0.0031709700000000 ] - [ -0.0000537000000000, 0.0000000000000000, 0.0001823400000000 ] - [ -0.0000663300000000, 0.0000000000000000, -0.0002263400000000 ] - [ -0.0006022300000000, 0.0000000000000000, 0.0005095400000000 ] - [ -0.0096206700000000, 0.0000000000000000, 0.0003862600000000 ] - [ 0.0000421900000000, 0.0000000000000000, -0.0008304900000000 ] - [ 0.0008275500000000, -0.0004685500000000, -0.0027936700000000 ] - [ -0.0009192300000000, 0.0000000000000000, -0.0010705600000000 ] - [ 0.0011320800000000, -0.0028349200000000, 0.0055278500000000 ] - [ 0.0024033000000000, 0.0000000000000000, -0.0010792300000000 ] - [ 0.0001644300000000, -0.0000736000000000, -0.0001331600000000 ] - [ 0.0006662900000000, 0.0000000000000000, 0.0010474200000000 ] - [ 0.0029107700000000, 0.0000000000000000, -0.0003751900000000 ] - [ 0.0009398700000000, -0.0000757700000000, -0.0005789300000000 ] - [ -0.0003896700000000, 0.0000000000000000, -0.0003591800000000 ] - [ 0.0001644300000000, 0.0000736000000000, -0.0001331600000000 ] - [ 0.0000894000000000, 0.0000000000000000, -0.0003813500000000 ] - [ 0.0009398700000000, 0.0000757700000000, -0.0005789300000000 ] - [ 0.0000169400000000, 0.0000405700000000, -0.0001048900000000 ] - [ 0.0002577800000000, 0.0000000000000000, -0.0000869800000000 ] - [ 0.0004721700000000, 0.0000000000000000, -0.0000915200000000 ] - [ 0.0000169400000000, -0.0000405700000000, -0.0001048900000000 ] - [ -0.0000824700000000, -0.0001402300000000, 0.0000385500000000 ] - [ -0.0002121300000000, 0.0000000000000000, 0.0001279500000000 ] - [ -0.0002428100000000, 0.0000000000000000, -0.0003670400000000 ] - [ -0.0000255700000000, 0.0001539100000000, -0.0000120000000000 ] - [ -0.0013413100000000, -0.0001983000000000, -0.0000353700000000 ] - [ 0.0003218500000000, 0.0000000000000000, -0.0003438400000000 ] - [ 0.0002211100000000, 0.0000000000000000, -0.0001769600000000 ] - [ -0.0002368700000000, -0.0000343400000000, -0.0007258400000000 ] - [ 0.0033737200000000, 0.0000000000000000, 0.0002560500000000 ] - [ 0.0011549400000000, 0.0000341500000000, -0.0001217600000000 ] - [ -0.0002368700000000, 0.0000343400000000, -0.0007258400000000 ] - [ -0.0007743400000000, 0.0000000000000000, -0.0013211000000000 ] - [ -0.0229978800000000, 0.0014914300000000, -0.0001373500000000 ] - [ -0.0070089600000000, 0.0000000000000000, -0.0012359400000000 ] - [ -0.0005890300000000, 0.0000000000000000, -0.0011763100000000 ] - [ -0.0285103300000000, 0.0000000000000000, -0.0044817300000000 ] - [ 0.0016121300000000, 0.0001135800000000, -0.0039183600000000 ] - [ -0.0229978800000000, -0.0014914300000000, -0.0001373500000000 ] - [ 0.0097676300000000, 0.0000000000000000, -0.0050631800000000 ] - [ 0.0016121300000000, -0.0001135800000000, -0.0039183600000000 ] - [ -0.0069571600000000, 0.0000000000000000, 0.0046572900000000 ] - [ -0.0118941500000000, 0.0000000000000000, 0.0089029700000000 ] - [ 0.0097177800000000, 0.0019836800000000, 0.0009783300000000 ] - [ -0.0381338600000000, 0.0213495600000000, 0.0114852500000000 ] - [ 0.0011320800000000, 0.0028349200000000, 0.0055278500000000 ] - [ 0.0008337300000000, 0.0000000000000000, 0.0015120100000000 ] - [ 0.0008275500000000, 0.0004685500000000, -0.0027936700000000 ] - [ -0.0062047100000000, 0.0000000000000000, 0.0011681000000000 ] - [ -0.0003657600000000, -0.0001174700000000, -0.0005174600000000 ] - [ -0.0006361800000000, 0.0000000000000000, -0.0011404900000000 ] - [ -0.0047455500000000, 0.0000000000000000, -0.0050339300000000 ] - [ -0.0013870700000000, 0.0004200800000000, -0.0002014800000000 ] - [ -0.0005107900000000, 0.0000000000000000, -0.0003828400000000 ] - [ -0.0003657600000000, 0.0001174700000000, -0.0005174600000000 ] - [ -0.0003075900000000, 0.0000000000000000, -0.0000818800000000 ] - [ -0.0013870700000000, -0.0004200800000000, -0.0002014800000000 ] - [ -0.0000677400000000, 0.0000423000000000, -0.0000289900000000 ] - [ 0.0001445500000000, 0.0000000000000000, -0.0000958700000000 ] - [ 0.0001204000000000, 0.0000000000000000, 0.0002135700000000 ] - [ -0.0000677400000000, -0.0000423000000000, -0.0000289900000000 ] - [ -0.0000255700000000, -0.0001539100000000, -0.0000120000000000 ] - [ 0.0001018700000000, 0.0000000000000000, -0.0000475000000000 ] - [ -0.0001181000000000, 0.0000000000000000, -0.0003322800000000 ] - [ -0.0000824700000000, 0.0001402300000000, 0.0000385500000000 ] - [ 0.0011549400000000, -0.0000341500000000, -0.0001217600000000 ] - [ -0.0000808200000000, 0.0000000000000000, -0.0001782800000000 ] - [ 0.0001221500000000, 0.0000000000000000, -0.0002739500000000 ] - [ 0.0000839900000000, -0.0000434400000000, -0.0002929800000000 ] - [ -0.0040791100000000, 0.0000000000000000, -0.0027997900000000 ] - [ -0.0013413100000000, 0.0001983000000000, -0.0000353700000000 ] - [ 0.0000839900000000, 0.0000434400000000, -0.0002929800000000 ] - [ 0.0006930700000000, 0.0000000000000000, 0.0008124200000000 ] - [ 0.0083534400000000, -0.0019037800000000, 0.0005387300000000 ] - [ 0.0040259900000000, 0.0000000000000000, 0.0006497900000000 ] - [ 0.0009064700000000, 0.0000000000000000, 0.0018196400000000 ] - [ 0.0058919900000000, 0.0000000000000000, -0.0013743600000000 ] - [ 0.0011603000000000, -0.0023070000000000, 0.0063783500000000 ] - [ 0.0083534400000000, 0.0019037800000000, 0.0005387300000000 ] - [ 0.0014408300000000, 0.0000000000000000, 0.0053767600000000 ] - [ 0.0011603000000000, 0.0023070000000000, 0.0063783500000000 ] - [ 0.0129836400000000, 0.0000000000000000, -0.0051596700000000 ] - [ 0.0069387300000000, 0.0000000000000000, -0.0006570600000000 ] - [ -0.0381338600000000, -0.0213495600000000, 0.0114852500000000 ] - [ 0.0097177800000000, -0.0019836800000000, 0.0009783300000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001528000000000, 0.0026397600000000, 0.0002918900000000 ] - [ -0.0000613000000000, -0.0014282100000000, -0.0003882600000000 ] - [ -0.0007448300000000, 0.0000450500000000, -0.0019684400000000 ] - [ -0.0001147700000000, 0.0000292300000000, -0.0003565300000000 ] - [ 0.0002155000000000, -0.0000291100000000, 0.0000360400000000 ] - [ -0.0000282300000000, 0.0000043700000000, -0.0000014500000000 ] - [ -0.0000988800000000, -0.0001293200000000, 0.0000826900000000 ] - [ -0.0000093700000000, -0.0000041400000000, 0.0000158700000000 ] - [ -0.0000988300000000, 0.0002323000000000, 0.0000609100000000 ] - [ -0.0000028400000000, -0.0000034400000000, -0.0000231900000000 ] - [ 0.0001059200000000, -0.0000735400000000, -0.0003627000000000 ] - [ 0.0000458400000000, -0.0017909200000000, -0.0002091600000000 ] - [ 0.0003030300000000, 0.0000030500000000, -0.0001122300000000 ] - [ 0.0000282000000000, -0.0001735800000000, -0.0003294100000000 ] - [ 0.0000905900000000, 0.0000742500000000, -0.0003771600000000 ] - [ 0.0003544900000000, -0.0000158200000000, -0.0001648900000000 ] - [ 0.0010240700000000, 0.0000227700000000, 0.0014530100000000 ] - [ 0.0011737500000000, -0.2215709000000000, -0.0008423700000000 ] - [ -0.0266260000000000, 0.0036230300000000, -0.0073135300000000 ] - [ 0.0001730700000000, -0.0242670300000000, 0.0005827000000000 ] - [ -0.0009047100000000, -0.0000644500000000, -0.0014460600000000 ] - [ 0.0239557000000000, 0.0041482300000000, 0.0078802800000000 ] - [ 0.0001994400000000, -0.0017261500000000, 0.0004056000000000 ] - [ -0.0000452800000000, 0.0451090200000000, 0.0000204300000000 ] - [ 0.0001356000000000, -0.0020435700000000, 0.0002644300000000 ] - [ -0.0000601600000000, -0.0002197500000000, -0.0003837200000000 ] - [ -0.0000555300000000, 0.0000494700000000, -0.0001069000000000 ] - [ -0.0001147100000000, 0.0000199200000000, -0.0003559700000000 ] - [ 0.0009027500000000, -0.0000431000000000, 0.0018977100000000 ] - [ -0.0000288900000000, 0.0000041800000000, -0.0000020700000000 ] - [ -0.0000989100000000, -0.0001120400000000, 0.0000827900000000 ] - [ -0.0000087900000000, -0.0000043200000000, 0.0000165500000000 ] - [ -0.0000990800000000, 0.0001452500000000, 0.0000606600000000 ] - [ -0.0000028400000000, -0.0000036200000000, -0.0000231800000000 ] - [ 0.0001075000000000, -0.0000736000000000, -0.0003608800000000 ] - [ 0.0000447100000000, -0.0002821200000000, -0.0002104600000000 ] - [ 0.0003030500000000, 0.0000037800000000, -0.0001123100000000 ] - [ 0.0000282800000000, -0.0001124300000000, -0.0003296800000000 ] - [ 0.0000890000000000, 0.0000741600000000, -0.0003789200000000 ] - [ 0.0003545700000000, -0.0000118200000000, -0.0001648600000000 ] - [ 0.0002718000000000, 0.0000472400000000, 0.0000968000000000 ] - [ -0.0001173500000000, -0.0009755700000000, 0.0002940600000000 ] - [ -0.0240116000000000, 0.0045029000000000, -0.0069541500000000 ] - [ 0.0001918700000000, -0.0008175600000000, 0.0005303000000000 ] - [ -0.0001538600000000, -0.0000371200000000, -0.0000905300000000 ] - [ 0.0262809900000000, 0.0034725500000000, 0.0082710900000000 ] - [ 0.0001872000000000, 0.0031563100000000, 0.0003802600000000 ] - [ 0.0000281100000000, 0.0006226600000000, -0.0001218400000000 ] - [ -0.0000839800000000, -0.0000017200000000, -0.0002121800000000 ] - [ 0.0000288500000000, 0.0000690300000000, 0.0000166200000000 ] - [ 0.0001567000000000, 0.0265353100000000, 0.0004007100000000 ] - [ -0.0000108000000000, 0.0000154600000000, -0.0002606700000000 ] - [ -0.0000839600000000, -0.0000010800000000, -0.0002121800000000 ] - [ 0.0000288500000000, 0.0001708700000000, 0.0000167100000000 ] - [ 0.0001371800000000, 0.0003421600000000, 0.0005095800000000 ] - [ -0.0000108000000000, 0.0000172200000000, -0.0002607200000000 ] - [ -0.0011699500000000, 0.0003345800000000, 0.0020341800000000 ] - [ -0.0001026700000000, 0.0002963000000000, -0.0002598200000000 ] - [ 0.0000777800000000, 0.0001290800000000, -0.0002133900000000 ] - [ -0.0003432500000000, -0.0001758900000000, -0.0005125800000000 ] - [ -0.0001468400000000, -0.0001212700000000, -0.0003029600000000 ] - [ -0.0001948300000000, 0.0000131700000000, 0.0000091400000000 ] - [ -0.0002200900000000, 0.0001196500000000, -0.0000653600000000 ] - [ -0.0003191200000000, 0.0000598100000000, 0.0000794700000000 ] - [ -0.0004507800000000, 0.0000031900000000, -0.0003716200000000 ] - [ -0.0001132000000000, 0.0001048100000000, -0.0003671500000000 ] - [ -0.0000824100000000, 0.0000161300000000, -0.0002293200000000 ] - [ 0.0001492500000000, 0.0000439200000000, -0.0004097800000000 ] - [ -0.0000236000000000, 0.0000430800000000, -0.0000595700000000 ] - [ 0.0001969800000000, -0.0000016000000000, -0.0000821900000000 ] - [ 0.0002887100000000, -0.0000171800000000, 0.0001088900000000 ] - [ -0.0000252000000000, -0.0000415000000000, -0.0000547900000000 ] - [ -0.0000526700000000, -0.0001483400000000, 0.0000244700000000 ] - [ -0.0000518900000000, -0.0000081700000000, 0.0000638800000000 ] - [ -0.0001821900000000, -0.0000008300000000, -0.0003423500000000 ] - [ -0.0000521300000000, 0.0001487500000000, 0.0000210400000000 ] - [ -0.0000842200000000, -0.0000059900000000, -0.0000887200000000 ] - [ 0.0001329700000000, 0.0000233200000000, -0.0002426100000000 ] - [ 0.0001707400000000, 0.0000035600000000, -0.0002198900000000 ] - [ -0.0000852800000000, -0.0000257200000000, -0.0005304400000000 ] - [ 0.0001091200000000, 0.0002136800000000, 0.0001560400000000 ] - [ -0.0002722400000000, 0.0001259700000000, 0.0004372100000000 ] - [ -0.0000932400000000, 0.0000354700000000, -0.0004854400000000 ] - [ -0.0001940800000000, -0.0001998500000000, -0.0001978700000000 ] - [ 0.0016910800000000, 0.0216209700000000, 0.0014807000000000 ] - [ 0.0004141200000000, 0.0037525200000000, 0.0001473300000000 ] - [ 0.0000639300000000, 0.0004426000000000, -0.0001359900000000 ] - [ -0.0001549500000000, 0.0196009400000000, 0.0003025300000000 ] - [ 0.0022613200000000, 0.0004232900000000, -0.0030995700000000 ] - [ -0.0010104300000000, 0.0222401900000000, -0.0018969000000000 ] - [ 0.0000503500000000, 0.0080197800000000, 0.0005451800000000 ] - [ -0.0022679700000000, 0.0000448200000000, 0.0040046700000000 ] - [ 0.0000084600000000, -0.0131612100000000, 0.0003399900000000 ] - [ 0.0002566200000000, 0.0183274100000000, 0.0000908500000000 ] - [ 0.0002311700000000, 0.0003299300000000, 0.0004491500000000 ] - [ -0.0215947600000000, 0.0477086500000000, 0.0268968700000000 ] - [ -0.0000934000000000, 0.0002166100000000, 0.0004316600000000 ] - [ -0.0001017200000000, 0.0000302400000000, -0.0002610300000000 ] - [ 0.0011537300000000, 0.0002561600000000, -0.0018176600000000 ] - [ -0.0003480500000000, 0.0027925900000000, -0.0005054600000000 ] - [ -0.0001347900000000, -0.0001184700000000, -0.0003061000000000 ] - [ -0.0001936800000000, -0.0002020700000000, 0.0000087600000000 ] - [ -0.0002083800000000, -0.0041642000000000, -0.0000693300000000 ] - [ 0.0000219100000000, -0.0000024100000000, 0.0001274600000000 ] - [ -0.0004507800000000, 0.0000031700000000, -0.0003715700000000 ] - [ -0.0001249800000000, 0.0001073700000000, -0.0003638900000000 ] - [ -0.0000821500000000, 0.0000234500000000, -0.0002294600000000 ] - [ -0.0001911900000000, -0.0000201100000000, -0.0004579400000000 ] - [ -0.0000228200000000, 0.0000433700000000, -0.0000602500000000 ] - [ 0.0001970200000000, -0.0000013000000000, -0.0000819800000000 ] - [ 0.0002887000000000, -0.0000251000000000, 0.0001089200000000 ] - [ -0.0000260400000000, -0.0000412300000000, -0.0000540900000000 ] - [ -0.0000527900000000, -0.0001482500000000, 0.0000238000000000 ] - [ -0.0000519500000000, -0.0000102600000000, 0.0000637300000000 ] - [ -0.0001821200000000, -0.0000014800000000, -0.0003423500000000 ] - [ -0.0000522000000000, 0.0001487600000000, 0.0000204100000000 ] - [ 0.0002305000000000, 0.0000377900000000, -0.0001356600000000 ] - [ 0.0001330400000000, 0.0000206300000000, -0.0002424600000000 ] - [ 0.0001707000000000, 0.0000025900000000, -0.0002196700000000 ] - [ -0.0000752000000000, -0.0000224400000000, -0.0005393200000000 ] - [ 0.0001042000000000, -0.0021673700000000, 0.0001577400000000 ] - [ 0.0000423800000000, 0.0000814600000000, 0.0003911200000000 ] - [ -0.0001031200000000, 0.0000389000000000, -0.0004767700000000 ] - [ -0.0001930500000000, 0.0000154200000000, -0.0001983000000000 ] - [ -0.0004128900000000, 0.0004200400000000, 0.0003782300000000 ] - [ 0.0004064300000000, -0.0001418200000000, 0.0001477100000000 ] - [ 0.0000636500000000, 0.0000680600000000, -0.0001355700000000 ] - [ -0.0000578500000000, -0.0046321000000000, 0.0003618500000000 ] - [ -0.0000556100000000, 0.0003760700000000, -0.0001150500000000 ] - [ 0.0004609400000000, 0.0000785000000000, 0.0000277400000000 ] - [ 0.0001003200000000, -0.0085153800000000, 0.0005697400000000 ] - [ 0.0000433200000000, -0.0000111600000000, 0.0010235500000000 ] - [ 0.0000618500000000, 0.0042233100000000, 0.0003450100000000 ] - [ 0.0002064500000000, -0.0034104300000000, 0.0000563500000000 ] - [ 0.0196679900000000, 0.0451045300000000, -0.0240231800000000 ] - [ -0.0003760800000000, 0.0000650300000000, 0.0005089500000000 ]- atom: 18 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0026259500000000, 0.0000000000000000, -0.0020648600000000 ] - [ -0.0021501200000000, 0.0000000000000000, 0.0008158600000000 ] - [ -0.0031759300000000, -0.0027331600000000, 0.0052674600000000 ] - [ -0.0004862100000000, 0.0000000000000000, 0.0030168500000000 ] - [ 0.0024325600000000, 0.0001761100000000, 0.0011190000000000 ] - [ 0.0002117700000000, -0.0000149300000000, 0.0034783400000000 ] - [ 0.0002999700000000, 0.0000000000000000, 0.0029029300000000 ] - [ 0.0002117700000000, 0.0000149300000000, 0.0034783400000000 ] - [ -0.0009139600000000, 0.0000000000000000, 0.0027459900000000 ] - [ 0.0001519200000000, 0.0000000000000000, 0.0036883600000000 ] - [ 0.0002514700000000, 0.0001292400000000, 0.0028644600000000 ] - [ -0.0017747200000000, 0.0000000000000000, 0.0018308200000000 ] - [ 0.0001628400000000, 0.0000000000000000, 0.0031456400000000 ] - [ 0.0001069300000000, 0.0000000000000000, 0.0031902900000000 ] - [ 0.0002514700000000, -0.0001292400000000, 0.0028644600000000 ] - [ 0.0002800300000000, 0.0000000000000000, 0.0028848600000000 ] - [ -0.0016767500000000, 0.0016094600000000, 0.0047912200000000 ] - [ -0.0032534900000000, 0.0000000000000000, -0.1604029400000000 ] - [ -0.0015875600000000, -0.0110825200000000, -0.0287966800000000 ] - [ -0.0236984600000000, 0.0000000000000000, 0.0185819300000000 ] - [ -0.0016767500000000, -0.0016094600000000, 0.0047912200000000 ] - [ 0.0017582200000000, 0.0101210900000000, -0.0320029000000000 ] - [ 0.0088643300000000, 0.0000000000000000, 0.0180904700000000 ] - [ 0.0049632700000000, 0.0000000000000000, 0.0018827900000000 ] - [ 0.0119108600000000, 0.0000000000000000, 0.0186153800000000 ] - [ 0.0011664200000000, 0.0000000000000000, 0.0025899700000000 ] - [ 0.0024325600000000, -0.0001761100000000, 0.0011190000000000 ] - [ 0.0002053800000000, 0.0000000000000000, 0.0025808400000000 ] - [ -0.0031759300000000, 0.0027331600000000, 0.0052674600000000 ] - [ 0.0002682500000000, 0.0000159900000000, 0.0037853700000000 ] - [ -0.0004700700000000, 0.0000000000000000, 0.0040247500000000 ] - [ 0.0002682500000000, -0.0000159900000000, 0.0037853700000000 ] - [ 0.0008667200000000, 0.0000000000000000, 0.0041794200000000 ] - [ 0.0000682400000000, 0.0000000000000000, 0.0035901000000000 ] - [ 0.0001692500000000, 0.0000848900000000, 0.0026711500000000 ] - [ 0.0011291600000000, 0.0000000000000000, 0.0029027900000000 ] - [ 0.0003055900000000, 0.0000000000000000, 0.0031663900000000 ] - [ -0.0002033600000000, 0.0000000000000000, 0.0040776600000000 ] - [ 0.0001692500000000, -0.0000848900000000, 0.0026711500000000 ] - [ 0.0000107500000000, 0.0000000000000000, 0.0029868600000000 ] - [ 0.0014972900000000, 0.0002542000000000, 0.0017391100000000 ] - [ -0.0005671400000000, 0.0000000000000000, -0.0121664000000000 ] - [ 0.0017582200000000, -0.0101210900000000, -0.0320029000000000 ] - [ 0.0026144800000000, 0.0000000000000000, -0.0028125500000000 ] - [ 0.0014972900000000, -0.0002542000000000, 0.0017391100000000 ] - [ -0.0015875600000000, 0.0110825200000000, -0.0287966800000000 ] - [ -0.0036730400000000, 0.0000000000000000, -0.0003739300000000 ] - [ 0.0030161500000000, 0.0000000000000000, -0.0047422500000000 ] - [ -0.0001775900000000, 0.0000000000000000, 0.0020929000000000 ] - [ 0.0005475300000000, 0.0000000000000000, 0.0026835600000000 ] - [ 0.0040943800000000, 0.0000000000000000, -0.0039945900000000 ] - [ -0.0001768100000000, 0.0000000000000000, 0.0024123000000000 ] - [ -0.0001455600000000, 0.0000000000000000, 0.0021283700000000 ] - [ -0.0003587700000000, 0.0000000000000000, 0.0022179500000000 ] - [ 0.0019978000000000, 0.0000000000000000, -0.0034305800000000 ] - [ 0.0001694100000000, 0.0000000000000000, 0.0021363100000000 ] - [ 0.0025251000000000, 0.0004149000000000, -0.0001870400000000 ] - [ 0.0015074600000000, 0.0000000000000000, -0.0034435400000000 ] - [ -0.0028906900000000, 0.0017389000000000, -0.0025328900000000 ] - [ -0.0008513000000000, 0.0000000000000000, 0.0001497000000000 ] - [ -0.0005199400000000, 0.0000015200000000, -0.0021775500000000 ] - [ -0.0010181800000000, 0.0000000000000000, -0.0016941900000000 ] - [ -0.0009170200000000, 0.0000000000000000, 0.0012787900000000 ] - [ 0.0002436200000000, 0.0000699400000000, -0.0014165500000000 ] - [ -0.0002717200000000, 0.0000000000000000, -0.0025131000000000 ] - [ -0.0005199400000000, -0.0000015200000000, -0.0021775500000000 ] - [ 0.0002758500000000, 0.0000000000000000, -0.0023097100000000 ] - [ 0.0002436200000000, -0.0000699400000000, -0.0014165500000000 ] - [ 0.0000300400000000, 0.0000145900000000, -0.0022259700000000 ] - [ 0.0003063600000000, 0.0000000000000000, -0.0023008700000000 ] - [ 0.0006292300000000, 0.0000000000000000, -0.0021322500000000 ] - [ 0.0000300400000000, -0.0000145900000000, -0.0022259700000000 ] - [ -0.0004247600000000, -0.0003313700000000, -0.0021215400000000 ] - [ -0.0001800600000000, 0.0000000000000000, -0.0022468600000000 ] - [ -0.0001700700000000, 0.0000000000000000, -0.0025318000000000 ] - [ -0.0003145500000000, 0.0003477600000000, -0.0020347700000000 ] - [ -0.0003891400000000, 0.0001590700000000, -0.0028210700000000 ] - [ 0.0002584600000000, 0.0000000000000000, -0.0023985700000000 ] - [ 0.0001503800000000, 0.0000000000000000, -0.0028161500000000 ] - [ -0.0000377900000000, 0.0000045900000000, -0.0029041700000000 ] - [ -0.0001180900000000, 0.0000000000000000, -0.0000067000000000 ] - [ 0.0003218600000000, 0.0000553300000000, -0.0014928400000000 ] - [ -0.0000377900000000, -0.0000045900000000, -0.0029041700000000 ] - [ 0.0003049300000000, 0.0000000000000000, -0.0025842000000000 ] - [ 0.0046286200000000, 0.0028319700000000, 0.0298197300000000 ] - [ 0.0020864900000000, 0.0000000000000000, -0.0066078500000000 ] - [ 0.0011971500000000, 0.0000000000000000, -0.0028941700000000 ] - [ 0.0077559600000000, 0.0000000000000000, 0.0357970100000000 ] - [ 0.0027147000000000, -0.0000153700000000, -0.0009678900000000 ] - [ 0.0046286200000000, -0.0028319700000000, 0.0298197300000000 ] - [ 0.0061589100000000, 0.0000000000000000, 0.0109454700000000 ] - [ 0.0027147000000000, 0.0000153700000000, -0.0009678900000000 ] - [ -0.0061727000000000, 0.0000000000000000, 0.0138904900000000 ] - [ -0.0051042200000000, 0.0000000000000000, 0.0226285500000000 ] - [ -0.0033524700000000, -0.0027628900000000, 0.0064438900000000 ] - [ -0.0045916200000000, 0.0241301600000000, 0.0372355400000000 ] - [ -0.0028906900000000, -0.0017389000000000, -0.0025328900000000 ] - [ -0.0011028600000000, 0.0000000000000000, -0.0026052000000000 ] - [ 0.0025251000000000, -0.0004149000000000, -0.0001870400000000 ] - [ 0.0019109900000000, 0.0000000000000000, -0.0093937800000000 ] - [ -0.0002903000000000, 0.0000635000000000, -0.0024785800000000 ] - [ 0.0007448300000000, 0.0000000000000000, -0.0019786200000000 ] - [ -0.0002487800000000, 0.0000000000000000, -0.0026865100000000 ] - [ -0.0005693400000000, -0.0004930000000000, -0.0033917800000000 ] - [ -0.0002736500000000, 0.0000000000000000, -0.0026384900000000 ] - [ -0.0002903000000000, -0.0000635000000000, -0.0024785800000000 ] - [ -0.0001876700000000, 0.0000000000000000, -0.0026591300000000 ] - [ -0.0005693400000000, 0.0004930000000000, -0.0033917800000000 ] - [ -0.0000638400000000, 0.0000163500000000, -0.0022833900000000 ] - [ 0.0003094500000000, 0.0000000000000000, -0.0024166900000000 ] - [ 0.0004614300000000, 0.0000000000000000, -0.0024637100000000 ] - [ -0.0000638400000000, -0.0000163500000000, -0.0022833900000000 ] - [ -0.0003145500000000, -0.0003477600000000, -0.0020347700000000 ] - [ 0.0000355500000000, 0.0000000000000000, -0.0020892700000000 ] - [ -0.0001296800000000, 0.0000000000000000, -0.0024531000000000 ] - [ -0.0004247600000000, 0.0003313700000000, -0.0021215400000000 ] - [ 0.0003218600000000, -0.0000553300000000, -0.0014928400000000 ] - [ 0.0000660100000000, 0.0000000000000000, -0.0026767700000000 ] - [ 0.0001316500000000, 0.0000000000000000, -0.0029320200000000 ] - [ -0.0001425500000000, -0.0000010700000000, -0.0026469200000000 ] - [ -0.0003981400000000, 0.0000000000000000, -0.0032097600000000 ] - [ -0.0003891400000000, -0.0001590700000000, -0.0028210700000000 ] - [ -0.0001425500000000, 0.0000010700000000, -0.0026469200000000 ] - [ -0.0006462500000000, 0.0000000000000000, -0.0019885500000000 ] - [ -0.0032800300000000, 0.0020439800000000, 0.0059266000000000 ] - [ 0.0001294300000000, 0.0000000000000000, 0.0007230000000000 ] - [ -0.0006981200000000, 0.0000000000000000, -0.0021690600000000 ] - [ 0.0045457500000000, 0.0000000000000000, 0.0071079700000000 ] - [ -0.0023530900000000, 0.0024373900000000, -0.0013690000000000 ] - [ -0.0032800300000000, -0.0020439800000000, 0.0059266000000000 ] - [ -0.0004921500000000, 0.0000000000000000, 0.0136658700000000 ] - [ -0.0023530900000000, -0.0024373900000000, -0.0013690000000000 ] - [ -0.0002766300000000, 0.0000000000000000, 0.0091656400000000 ] - [ 0.0052493000000000, 0.0000000000000000, 0.0077331900000000 ] - [ -0.0045916200000000, -0.0241301600000000, 0.0372355400000000 ] - [ -0.0033524700000000, 0.0027628900000000, 0.0064438900000000 ]- atom: 18 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0029211100000000, 0.0000000000000000, 0.0026069900000000 ] - [ 0.0020102100000000, 0.0000000000000000, -0.0016047100000000 ] - [ 0.0032975900000000, 0.0027565200000000, -0.0053167900000000 ] - [ 0.0002539600000000, 0.0000000000000000, -0.0037187200000000 ] - [ -0.0022640200000000, -0.0002542000000000, -0.0012019800000000 ] - [ -0.0002498200000000, 0.0000229900000000, -0.0034592000000000 ] - [ -0.0004975400000000, 0.0000000000000000, -0.0027375600000000 ] - [ -0.0002498200000000, -0.0000229900000000, -0.0034592000000000 ] - [ 0.0007111700000000, 0.0000000000000000, -0.0026254200000000 ] - [ -0.0001574000000000, 0.0000000000000000, -0.0037284500000000 ] - [ -0.0000545000000000, -0.0002765200000000, -0.0036002500000000 ] - [ 0.0018707600000000, 0.0000000000000000, -0.0022355600000000 ] - [ 0.0004427400000000, 0.0000000000000000, -0.0033635000000000 ] - [ -0.0000506300000000, 0.0000000000000000, -0.0038395600000000 ] - [ -0.0000545000000000, 0.0002765200000000, -0.0036002500000000 ] - [ 0.0004273400000000, 0.0000000000000000, -0.0032097400000000 ] - [ 0.0018111500000000, -0.0015463800000000, -0.0047870700000000 ] - [ 0.0020796100000000, 0.0000000000000000, 0.1622994000000000 ] - [ 0.0014922800000000, 0.0112828200000000, 0.0298201400000000 ] - [ 0.0243887300000000, 0.0000000000000000, -0.0176091400000000 ] - [ 0.0018111500000000, 0.0015463800000000, -0.0047870700000000 ] - [ -0.0020743400000000, -0.0104055700000000, 0.0329157200000000 ] - [ -0.0086320900000000, 0.0000000000000000, -0.0174362800000000 ] - [ -0.0049800900000000, 0.0000000000000000, -0.0022623000000000 ] - [ -0.0113933100000000, 0.0000000000000000, -0.0179379700000000 ] - [ -0.0012789000000000, 0.0000000000000000, -0.0033756700000000 ] - [ -0.0022640200000000, 0.0002542000000000, -0.0012019800000000 ] - [ -0.0004315500000000, 0.0000000000000000, -0.0032914100000000 ] - [ 0.0032975900000000, -0.0027565200000000, -0.0053167900000000 ] - [ -0.0003052300000000, -0.0000074900000000, -0.0037635200000000 ] - [ 0.0002662800000000, 0.0000000000000000, -0.0038496100000000 ] - [ -0.0003052300000000, 0.0000074900000000, -0.0037635200000000 ] - [ -0.0010506200000000, 0.0000000000000000, -0.0040446500000000 ] - [ -0.0000740800000000, 0.0000000000000000, -0.0036305300000000 ] - [ 0.0000278200000000, -0.0002320200000000, -0.0034060900000000 ] - [ -0.0010423900000000, 0.0000000000000000, -0.0033129900000000 ] - [ 0.0003015300000000, 0.0000000000000000, -0.0033851100000000 ] - [ 0.0002625200000000, 0.0000000000000000, -0.0047313100000000 ] - [ 0.0000278200000000, 0.0002320200000000, -0.0034060900000000 ] - [ 0.0006983900000000, 0.0000000000000000, -0.0033123700000000 ] - [ -0.0013836400000000, -0.0001701400000000, -0.0017233000000000 ] - [ 0.0003270400000000, 0.0000000000000000, 0.0127549100000000 ] - [ -0.0020743400000000, 0.0104055700000000, 0.0329157200000000 ] - [ -0.0022084700000000, 0.0000000000000000, 0.0039142300000000 ] - [ -0.0013836400000000, 0.0001701400000000, -0.0017233000000000 ] - [ 0.0014922800000000, -0.0112828200000000, 0.0298201400000000 ] - [ 0.0040493500000000, 0.0000000000000000, 0.0011570600000000 ] - [ -0.0029628200000000, 0.0000000000000000, 0.0044646700000000 ] - [ 0.0000094800000000, 0.0000000000000000, -0.0025120200000000 ] - [ -0.0004929900000000, 0.0000000000000000, -0.0026477800000000 ] - [ -0.0037916300000000, 0.0000000000000000, 0.0050693900000000 ] - [ 0.0001557000000000, 0.0000000000000000, -0.0029320700000000 ] - [ -0.0000230700000000, 0.0000000000000000, -0.0025471800000000 ] - [ 0.0004178800000000, 0.0000000000000000, -0.0021782400000000 ] - [ -0.0017281200000000, 0.0000000000000000, 0.0044603900000000 ] - [ -0.0001922500000000, 0.0000000000000000, -0.0026539400000000 ] - [ -0.0025235700000000, -0.0003263900000000, 0.0004175700000000 ] - [ -0.0016897400000000, 0.0000000000000000, 0.0029065300000000 ] - [ 0.0028537300000000, -0.0018146500000000, 0.0027574900000000 ] - [ 0.0001614800000000, 0.0000000000000000, -0.0011637700000000 ] - [ 0.0002576200000000, -0.0002282400000000, 0.0015078300000000 ] - [ 0.0006217200000000, 0.0000000000000000, 0.0017146300000000 ] - [ 0.0004773600000000, 0.0000000000000000, -0.0013966700000000 ] - [ -0.0004093400000000, -0.0000554900000000, 0.0010899700000000 ] - [ -0.0006312900000000, 0.0000000000000000, 0.0017682900000000 ] - [ 0.0002576200000000, 0.0002282400000000, 0.0015078300000000 ] - [ -0.0004343900000000, 0.0000000000000000, 0.0018485000000000 ] - [ -0.0004093400000000, 0.0000554900000000, 0.0010899700000000 ] - [ -0.0000792800000000, 0.0000697200000000, 0.0021085900000000 ] - [ 0.0000876800000000, 0.0000000000000000, 0.0021364000000000 ] - [ -0.0000502100000000, 0.0000000000000000, 0.0023486600000000 ] - [ -0.0000792800000000, -0.0000697200000000, 0.0021085900000000 ] - [ 0.0003188800000000, 0.0000335500000000, 0.0021641400000000 ] - [ 0.0000766900000000, 0.0000000000000000, 0.0023705000000000 ] - [ -0.0001941700000000, 0.0000000000000000, 0.0018442500000000 ] - [ 0.0002095900000000, -0.0000499100000000, 0.0020777800000000 ] - [ 0.0003494800000000, -0.0002495100000000, 0.0031229100000000 ] - [ 0.0000062700000000, 0.0000000000000000, 0.0019083400000000 ] - [ 0.0001913600000000, 0.0000000000000000, 0.0023706500000000 ] - [ -0.0001405600000000, -0.0000668500000000, 0.0018842500000000 ] - [ 0.0003373600000000, 0.0000000000000000, 0.0003115000000000 ] - [ -0.0003636600000000, 0.0000310800000000, 0.0017877400000000 ] - [ -0.0001405600000000, 0.0000668500000000, 0.0018842500000000 ] - [ -0.0006967100000000, 0.0000000000000000, 0.0021820400000000 ] - [ -0.0041603500000000, -0.0030672100000000, -0.0300136900000000 ] - [ -0.0012943500000000, 0.0000000000000000, 0.0069322400000000 ] - [ -0.0010808800000000, 0.0000000000000000, 0.0026242700000000 ] - [ -0.0064165700000000, 0.0000000000000000, -0.0341352500000000 ] - [ -0.0027264400000000, 0.0003975500000000, 0.0018551600000000 ] - [ -0.0041603500000000, 0.0030672100000000, -0.0300136900000000 ] - [ -0.0060304700000000, 0.0000000000000000, -0.0098274000000000 ] - [ -0.0027264400000000, -0.0003975500000000, 0.0018551600000000 ] - [ 0.0063057400000000, 0.0000000000000000, -0.0132060800000000 ] - [ 0.0044931300000000, 0.0000000000000000, -0.0235053700000000 ] - [ 0.0032185900000000, 0.0030155500000000, -0.0054763300000000 ] - [ 0.0041331100000000, -0.0238318900000000, -0.0362016800000000 ] - [ 0.0028537300000000, 0.0018146500000000, 0.0027574900000000 ] - [ 0.0008939100000000, 0.0000000000000000, 0.0020865800000000 ] - [ -0.0025235700000000, 0.0003263900000000, 0.0004175700000000 ] - [ -0.0025812600000000, 0.0000000000000000, 0.0082509400000000 ] - [ 0.0000292800000000, -0.0002900200000000, 0.0018053700000000 ] - [ -0.0011296700000000, 0.0000000000000000, 0.0019978300000000 ] - [ -0.0001787200000000, 0.0000000000000000, 0.0025848100000000 ] - [ 0.0003939800000000, 0.0004940600000000, 0.0030482500000000 ] - [ -0.0006294400000000, 0.0000000000000000, 0.0018924600000000 ] - [ 0.0000292800000000, 0.0002900200000000, 0.0018053700000000 ] - [ 0.0000239000000000, 0.0000000000000000, 0.0021953600000000 ] - [ 0.0003939800000000, -0.0004940600000000, 0.0030482500000000 ] - [ 0.0000148800000000, 0.0000680100000000, 0.0021659500000000 ] - [ 0.0000848900000000, 0.0000000000000000, 0.0022512700000000 ] - [ 0.0001157300000000, 0.0000000000000000, 0.0026776500000000 ] - [ 0.0000148800000000, -0.0000680100000000, 0.0021659500000000 ] - [ 0.0002095900000000, 0.0000499100000000, 0.0020777800000000 ] - [ -0.0001398500000000, 0.0000000000000000, 0.0022120800000000 ] - [ -0.0002343300000000, 0.0000000000000000, 0.0017652900000000 ] - [ 0.0003188800000000, -0.0000335500000000, 0.0021641400000000 ] - [ -0.0003636600000000, -0.0000310800000000, 0.0017877400000000 ] - [ 0.0001997100000000, 0.0000000000000000, 0.0021879800000000 ] - [ 0.0002097400000000, 0.0000000000000000, 0.0024874500000000 ] - [ -0.0000349700000000, -0.0000611000000000, 0.0016255700000000 ] - [ 0.0006074300000000, 0.0000000000000000, 0.0035103800000000 ] - [ 0.0003494800000000, 0.0002495100000000, 0.0031229100000000 ] - [ -0.0000349700000000, 0.0000611000000000, 0.0016255700000000 ] - [ 0.0002603300000000, 0.0000000000000000, 0.0015861200000000 ] - [ 0.0033226400000000, -0.0017170700000000, -0.0055253200000000 ] - [ 0.0006875100000000, 0.0000000000000000, -0.0004376400000000 ] - [ 0.0008280900000000, 0.0000000000000000, 0.0018921000000000 ] - [ -0.0046732700000000, 0.0000000000000000, -0.0063546800000000 ] - [ 0.0023521000000000, -0.0020613500000000, 0.0022686200000000 ] - [ 0.0033226400000000, 0.0017170700000000, -0.0055253200000000 ] - [ 0.0006269000000000, 0.0000000000000000, -0.0125876000000000 ] - [ 0.0023521000000000, 0.0020613500000000, 0.0022686200000000 ] - [ 0.0003812600000000, 0.0000000000000000, -0.0084934700000000 ] - [ -0.0048247800000000, 0.0000000000000000, -0.0076460500000000 ] - [ 0.0041331100000000, 0.0238318900000000, -0.0362016800000000 ] - [ 0.0032185900000000, -0.0030155500000000, -0.0054763300000000 ]- atom: 19 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0048473300000000, 0.0008337400000000, -0.0127988800000000 ] - [ -0.0019684500000000, -0.0008348100000000, -0.0030438400000000 ] - [ -0.0045153400000000, 0.0004159700000000, 0.0023900300000000 ] - [ -0.0005564000000000, 0.0000167600000000, -0.0003016900000000 ] - [ 0.0030482700000000, 0.0000212800000000, -0.0019979500000000 ] - [ -0.0000359600000000, -0.0000036300000000, -0.0001808400000000 ] - [ 0.0002756800000000, -0.0000816400000000, -0.0006032500000000 ] - [ -0.0000239700000000, 0.0000035500000000, -0.0001700800000000 ] - [ -0.0010163500000000, 0.0001438300000000, -0.0006781900000000 ] - [ 0.0000016000000000, -0.0000019600000000, -0.0000160200000000 ] - [ 0.0000750400000000, -0.0001042200000000, -0.0004844100000000 ] - [ 0.0027466400000000, -0.0001928800000000, 0.0006038700000000 ] - [ 0.0001955500000000, 0.0000018200000000, -0.0000692400000000 ] - [ -0.0003459800000000, -0.0000720400000000, 0.0003322900000000 ] - [ 0.0000652800000000, 0.0001043900000000, -0.0004947400000000 ] - [ 0.0001525200000000, -0.0000079000000000, -0.0000830200000000 ] - [ 0.0019470000000000, -0.0001625600000000, -0.0015998600000000 ] - [ 0.0325700500000000, -0.0266220100000000, -0.0059645700000000 ] - [ -0.2368354500000000, -0.0005300400000000, -0.0164336800000000 ] - [ 0.0070807700000000, -0.0018044200000000, -0.0027548200000000 ] - [ 0.0016762000000000, 0.0001603900000000, -0.0018411700000000 ] - [ 0.0162721700000000, -0.0001667600000000, 0.0010235500000000 ] - [ -0.0048017800000000, 0.0014197100000000, -0.0110416100000000 ] - [ 0.0156413000000000, 0.0175294400000000, 0.0143532400000000 ] - [ 0.0056875500000000, -0.0007306500000000, 0.0037117100000000 ] - [ 0.0032985400000000, -0.0001404200000000, 0.0013364200000000 ] - [ 0.0028487900000000, -0.0000112700000000, -0.0022823200000000 ] - [ 0.0003410600000000, 0.0000119700000000, -0.0005453800000000 ] - [ -0.0035839600000000, -0.0004075900000000, 0.0044379000000000 ] - [ -0.0000338200000000, 0.0000199800000000, 0.0001835100000000 ] - [ -0.0006398500000000, -0.0000599300000000, 0.0008708800000000 ] - [ -0.0000229600000000, -0.0000200000000000, 0.0001933200000000 ] - [ 0.0010620700000000, 0.0000774100000000, 0.0007855100000000 ] - [ -0.0000092400000000, -0.0000021100000000, -0.0000448500000000 ] - [ 0.0001111200000000, -0.0000446000000000, -0.0002346100000000 ] - [ -0.0014209400000000, -0.0010170400000000, -0.0019292600000000 ] - [ 0.0004128600000000, 0.0000021500000000, -0.0001829200000000 ] - [ 0.0002142200000000, -0.0000986000000000, -0.0009243300000000 ] - [ 0.0001016100000000, 0.0000448400000000, -0.0002433900000000 ] - [ 0.0005787100000000, -0.0000091000000000, -0.0002536600000000 ] - [ -0.0024435900000000, 0.0003304600000000, 0.0033628300000000 ] - [ 0.0312356700000000, -0.0237991000000000, -0.0023191800000000 ] - [ 0.0105765400000000, 0.0001817300000000, -0.0014110200000000 ] - [ -0.0220100400000000, -0.0150309500000000, 0.0147124800000000 ] - [ -0.0035806500000000, -0.0003474500000000, 0.0017410500000000 ] - [ -0.0365810700000000, 0.0012106900000000, 0.0172638100000000 ] - [ 0.0063727300000000, -0.0007832400000000, 0.0029238400000000 ] - [ 0.0157445200000000, 0.0076111900000000, -0.0120763300000000 ] - [ -0.0000296100000000, -0.0000020600000000, -0.0002448900000000 ] - [ -0.0004692900000000, 0.0000960800000000, -0.0003246700000000 ] - [ 0.0089772300000000, 0.0059804600000000, -0.0095024900000000 ] - [ 0.0002573400000000, 0.0000095200000000, -0.0004246100000000 ] - [ -0.0001375800000000, -0.0000020400000000, -0.0001743400000000 ] - [ 0.0006889900000000, 0.0000432600000000, 0.0003378900000000 ] - [ 0.0096103300000000, 0.0091031900000000, 0.0087193500000000 ] - [ -0.0002603700000000, 0.0000125800000000, -0.0001636600000000 ] - [ 0.0044488800000000, 0.0007272700000000, 0.0038127800000000 ] - [ 0.0013076800000000, 0.0001904800000000, -0.0001622900000000 ] - [ -0.0027964800000000, 0.0000095200000000, -0.0005878000000000 ] - [ -0.0023711300000000, 0.0000561200000000, 0.0029154800000000 ] - [ -0.0002863000000000, -0.0001712300000000, -0.0001364700000000 ] - [ -0.0014194300000000, 0.0000095900000000, 0.0004598700000000 ] - [ -0.0018962700000000, -0.0001821300000000, 0.0043099700000000 ] - [ 0.0001975400000000, -0.0000264400000000, 0.0010575600000000 ] - [ -0.0004865300000000, 0.0000018800000000, -0.0002907000000000 ] - [ -0.0002650800000000, 0.0001608800000000, -0.0001747300000000 ] - [ 0.0001382900000000, 0.0000109500000000, -0.0000221300000000 ] - [ 0.0004486200000000, 0.0000846000000000, 0.0007406300000000 ] - [ -0.0000848800000000, 0.0000419600000000, -0.0000746100000000 ] - [ 0.0001629400000000, -0.0000009200000000, -0.0000192800000000 ] - [ 0.0003964800000000, -0.0000115500000000, 0.0002921400000000 ] - [ -0.0000867500000000, -0.0000406300000000, -0.0000710200000000 ] - [ -0.0001020000000000, -0.0001378200000000, -0.0000168800000000 ] - [ 0.0000812900000000, -0.0000059200000000, 0.0001735900000000 ] - [ -0.0001871000000000, -0.0000007000000000, -0.0003032400000000 ] - [ 0.0000019700000000, 0.0001557700000000, 0.0000390100000000 ] - [ 0.0004754200000000, -0.0000014200000000, 0.0007956700000000 ] - [ 0.0000205800000000, 0.0000131700000000, -0.0004634700000000 ] - [ 0.0002024200000000, 0.0000019600000000, -0.0002886600000000 ] - [ -0.0001673800000000, -0.0000268900000000, -0.0003451700000000 ] - [ -0.0004941900000000, -0.0012327700000000, -0.0038101000000000 ] - [ -0.0004795300000000, 0.0000550300000000, -0.0008728900000000 ] - [ -0.0001832000000000, 0.0000358400000000, -0.0003114900000000 ] - [ -0.0009061700000000, 0.0000109100000000, 0.0003287500000000 ] - [ -0.0053282800000000, 0.0008025300000000, 0.0018528700000000 ] - [ -0.0012636000000000, 0.0000815400000000, 0.0034162500000000 ] - [ -0.0009347900000000, 0.0000220100000000, 0.0003358100000000 ] - [ -0.0092209200000000, 0.0019382800000000, -0.0002101700000000 ] - [ -0.0024829200000000, 0.0005831400000000, 0.0003979700000000 ] - [ -0.0104329100000000, 0.0008530300000000, 0.0057617900000000 ] - [ -0.0079191200000000, -0.0004486600000000, 0.0001375100000000 ] - [ -0.0029272400000000, -0.0005646100000000, 0.0009074500000000 ] - [ -0.0106710100000000, -0.0026432400000000, 0.0018375600000000 ] - [ 0.0206354200000000, 0.0031019800000000, 0.0051630100000000 ] - [ -0.0122634000000000, -0.0004760200000000, 0.0024640200000000 ] - [ 0.0701580700000000, -0.0029281500000000, 0.0307293500000000 ] - [ -0.0030946200000000, 0.0000386200000000, -0.0003940100000000 ] - [ -0.0012989900000000, 0.0000030100000000, 0.0001253000000000 ] - [ 0.0055167700000000, -0.0003045100000000, 0.0013501800000000 ] - [ 0.0000349700000000, 0.0013725900000000, -0.0046221500000000 ] - [ 0.0000579000000000, -0.0000542800000000, -0.0004774700000000 ] - [ 0.0012940100000000, -0.0001221900000000, -0.0001946100000000 ] - [ -0.0011005100000000, -0.0022221600000000, -0.0070947100000000 ] - [ -0.0006384600000000, 0.0001715100000000, -0.0014551100000000 ] - [ -0.0004434200000000, 0.0000019000000000, -0.0004486200000000 ] - [ 0.0000621500000000, 0.0000485100000000, -0.0005108400000000 ] - [ -0.0003292900000000, 0.0000118300000000, -0.0004785900000000 ] - [ -0.0007337800000000, -0.0001899800000000, -0.0017627400000000 ] - [ 0.0000327600000000, 0.0000386700000000, -0.0000575000000000 ] - [ 0.0002353100000000, -0.0000007700000000, -0.0001618500000000 ] - [ 0.0001861300000000, -0.0000131000000000, -0.0001157300000000 ] - [ 0.0000316700000000, -0.0000376500000000, -0.0000546100000000 ] - [ 0.0000017200000000, -0.0001555300000000, 0.0000406900000000 ] - [ -0.0001956700000000, -0.0000053000000000, -0.0000433900000000 ] - [ -0.0001680600000000, -0.0000007500000000, -0.0003890500000000 ] - [ -0.0001015400000000, 0.0001381000000000, -0.0000192100000000 ] - [ -0.0005398300000000, 0.0000041700000000, -0.0011760500000000 ] - [ 0.0002300400000000, 0.0000137200000000, -0.0000561800000000 ] - [ 0.0001416900000000, 0.0000018100000000, -0.0001405600000000 ] - [ 0.0000295900000000, -0.0000287000000000, -0.0006755400000000 ] - [ -0.0004761400000000, -0.0000328700000000, 0.0026940600000000 ] - [ 0.0002211500000000, 0.0000917000000000, 0.0011245800000000 ] - [ 0.0000247300000000, 0.0000347000000000, -0.0006455400000000 ] - [ 0.0007946900000000, -0.0001282600000000, -0.0004966500000000 ] - [ 0.0254574200000000, 0.0032539500000000, 0.0004904300000000 ] - [ -0.0003267000000000, 0.0023664800000000, -0.0059793400000000 ] - [ 0.0014021500000000, 0.0002798500000000, -0.0001911300000000 ] - [ 0.0259382900000000, -0.0049889400000000, -0.0022270900000000 ] - [ 0.0060926900000000, -0.0003181700000000, 0.0000764900000000 ] - [ 0.0073679100000000, 0.0035194400000000, -0.0057543400000000 ] - [ 0.0289842700000000, 0.0028632700000000, -0.0004740000000000 ] - [ 0.0045429900000000, 0.0005641900000000, 0.0043435600000000 ] - [ 0.0349278000000000, 0.0206177400000000, -0.0170317800000000 ] - [ -0.0080445200000000, 0.0017710900000000, -0.0005007100000000 ] - [ 0.0040391100000000, -0.0005374800000000, -0.0020870600000000 ] - [ -0.0068733300000000, -0.0004109200000000, 0.0002591700000000 ]- atom: 19 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0051574700000000, -0.0008357700000000, 0.0133581100000000 ] - [ 0.0018534600000000, 0.0008377300000000, 0.0022664900000000 ] - [ 0.0046601900000000, -0.0003357900000000, -0.0024448600000000 ] - [ 0.0003270100000000, -0.0000166500000000, -0.0004125700000000 ] - [ -0.0028804000000000, -0.0001014400000000, 0.0019409900000000 ] - [ -0.0000017900000000, 0.0000121600000000, 0.0001835600000000 ] - [ -0.0004720700000000, 0.0000821700000000, 0.0007699600000000 ] - [ -0.0000138600000000, -0.0000117100000000, 0.0001727800000000 ] - [ 0.0008206800000000, -0.0001443200000000, 0.0008024100000000 ] - [ -0.0000062600000000, 0.0000021600000000, -0.0000459300000000 ] - [ 0.0001193100000000, -0.0000458400000000, -0.0002595100000000 ] - [ -0.0026536100000000, 0.0001922900000000, -0.0010330000000000 ] - [ 0.0004101800000000, -0.0000016200000000, -0.0001744400000000 ] - [ 0.0004044500000000, 0.0000717800000000, -0.0009966200000000 ] - [ 0.0001293000000000, 0.0000459600000000, -0.0002490500000000 ] - [ 0.0005600200000000, 0.0000079800000000, -0.0002506600000000 ] - [ -0.0018346400000000, 0.0002507300000000, 0.0016011000000000 ] - [ -0.0324869700000000, 0.0262902700000000, 0.0065494200000000 ] - [ 0.2338180100000000, 0.0010316200000000, 0.0155630600000000 ] - [ -0.0066707200000000, 0.0017826400000000, 0.0038089500000000 ] - [ -0.0015645600000000, -0.0002484300000000, 0.0018400900000000 ] - [ -0.0165100400000000, -0.0000623500000000, -0.0000792800000000 ] - [ 0.0051825900000000, -0.0014271400000000, 0.0118393600000000 ] - [ -0.0154807600000000, -0.0174890300000000, -0.0144664900000000 ] - [ -0.0054059400000000, 0.0007355300000000, -0.0030826800000000 ] - [ -0.0034212300000000, 0.0001412200000000, -0.0020922200000000 ] - [ -0.0026792800000000, 0.0000916200000000, 0.0022298300000000 ] - [ -0.0005687900000000, -0.0000117900000000, -0.0001654800000000 ] - [ 0.0037264300000000, 0.0003277800000000, -0.0044939500000000 ] - [ -0.0000048900000000, -0.0000113200000000, -0.0001800200000000 ] - [ 0.0004379100000000, 0.0000602900000000, -0.0007025200000000 ] - [ -0.0000157700000000, 0.0000117300000000, -0.0001898300000000 ] - [ -0.0012588000000000, -0.0000773900000000, -0.0006547100000000 ] - [ 0.0000045800000000, 0.0000023000000000, -0.0000174900000000 ] - [ 0.0000841400000000, -0.0001054400000000, -0.0005094400000000 ] - [ 0.0015036100000000, 0.0010195500000000, 0.0015174500000000 ] - [ 0.0001932100000000, -0.0000019600000000, -0.0000609200000000 ] - [ -0.0001596100000000, 0.0000990400000000, 0.0002600500000000 ] - [ 0.0000934200000000, 0.0001056100000000, -0.0005008100000000 ] - [ 0.0001338900000000, 0.0000094700000000, -0.0000803800000000 ] - [ 0.0025706100000000, -0.0002405600000000, -0.0033589500000000 ] - [ -0.0317837800000000, 0.0241737700000000, 0.0029171400000000 ] - [ -0.0107891600000000, 0.0000506200000000, 0.0023642000000000 ] - [ 0.0225383100000000, 0.0150139100000000, -0.0135915300000000 ] - [ 0.0037098700000000, 0.0002577400000000, -0.0017370800000000 ] - [ 0.0363453100000000, -0.0014421700000000, -0.0163103700000000 ] - [ -0.0059617100000000, 0.0007771200000000, -0.0021800600000000 ] - [ -0.0156707500000000, -0.0077521600000000, 0.0119572400000000 ] - [ -0.0001387500000000, -0.0000037900000000, -0.0001811800000000 ] - [ 0.0005259600000000, -0.0001026700000000, 0.0003490900000000 ] - [ -0.0086999300000000, -0.0059004900000000, 0.0104412000000000 ] - [ -0.0002786200000000, -0.0000026900000000, -0.0000997500000000 ] - [ -0.0000306300000000, -0.0000037600000000, -0.0002518700000000 ] - [ -0.0006303400000000, -0.0000498000000000, -0.0003163900000000 ] - [ -0.0093818800000000, -0.0091489000000000, -0.0077638300000000 ] - [ 0.0002395000000000, -0.0000052600000000, -0.0003586000000000 ] - [ -0.0044533600000000, -0.0006521500000000, -0.0035842200000000 ] - [ -0.0015072700000000, -0.0001910900000000, -0.0003533400000000 ] - [ 0.0027760000000000, -0.0000809300000000, 0.0007960900000000 ] - [ 0.0016716000000000, -0.0000622800000000, -0.0039331000000000 ] - [ 0.0000226400000000, -0.0000547400000000, -0.0005339100000000 ] - [ 0.0010297600000000, -0.0000094500000000, -0.0004424900000000 ] - [ 0.0014398400000000, 0.0001898900000000, -0.0044396000000000 ] - [ -0.0003703200000000, 0.0000456500000000, -0.0013871700000000 ] - [ -0.0004313700000000, -0.0000017400000000, -0.0004504600000000 ] - [ 0.0000013700000000, 0.0000654800000000, -0.0004954500000000 ] - [ -0.0003001600000000, -0.0000107400000000, -0.0004417000000000 ] - [ -0.0006217400000000, -0.0001036200000000, -0.0010685600000000 ] - [ 0.0000343900000000, 0.0000398700000000, -0.0000415500000000 ] - [ 0.0002309600000000, 0.0000010700000000, -0.0001504200000000 ] - [ 0.0001855000000000, 0.0000118200000000, -0.0000710400000000 ] - [ 0.0000361300000000, -0.0000407300000000, -0.0000449200000000 ] - [ 0.0000006300000000, -0.0001576400000000, 0.0000550000000000 ] - [ -0.0001845200000000, 0.0000060000000000, -0.0000331400000000 ] - [ -0.0001741100000000, 0.0000009000000000, -0.0003831300000000 ] - [ -0.0001031900000000, 0.0001399400000000, -0.0000005400000000 ] - [ -0.0005167600000000, -0.0000883800000000, -0.0004922900000000 ] - [ 0.0002429700000000, -0.0000129700000000, -0.0000145400000000 ] - [ 0.0001383500000000, -0.0000016500000000, -0.0001434000000000 ] - [ -0.0000100400000000, -0.0000352400000000, -0.0006639900000000 ] - [ 0.0007081100000000, 0.0012313500000000, 0.0041256200000000 ] - [ 0.0004331400000000, 0.0000350500000000, 0.0011788600000000 ] - [ 0.0000062300000000, 0.0000265600000000, -0.0006973400000000 ] - [ 0.0005249400000000, -0.0000108700000000, -0.0007226100000000 ] - [ 0.0053878300000000, -0.0004707100000000, -0.0014377200000000 ] - [ 0.0020960300000000, -0.0000745700000000, -0.0031354400000000 ] - [ 0.0010653100000000, -0.0000216200000000, -0.0006224700000000 ] - [ 0.0091440800000000, -0.0019378300000000, 0.0009400300000000 ] - [ 0.0024742100000000, -0.0002107900000000, 0.0005150900000000 ] - [ 0.0104312300000000, -0.0011627100000000, -0.0053257300000000 ] - [ 0.0080517400000000, 0.0004636000000000, 0.0009805400000000 ] - [ 0.0029139800000000, 0.0001928100000000, 0.0000085600000000 ] - [ 0.0107941700000000, 0.0026425000000000, -0.0011708900000000 ] - [ -0.0200168700000000, -0.0032762200000000, -0.0052302400000000 ] - [ 0.0121893000000000, 0.0007348700000000, -0.0015060200000000 ] - [ -0.0656530100000000, 0.0027208700000000, -0.0271258000000000 ] - [ 0.0030784700000000, 0.0000325500000000, 0.0005994100000000 ] - [ 0.0010912900000000, -0.0000028200000000, -0.0006477400000000 ] - [ -0.0055215000000000, 0.0002276500000000, -0.0011148300000000 ] - [ -0.0007137400000000, -0.0013744800000000, 0.0035897700000000 ] - [ -0.0003196800000000, -0.0001712100000000, -0.0001923100000000 ] - [ -0.0016758100000000, 0.0001229500000000, 0.0002168100000000 ] - [ 0.0006610500000000, 0.0022251800000000, 0.0069535200000000 ] - [ 0.0004703600000000, -0.0001525400000000, 0.0011210000000000 ] - [ -0.0004743000000000, -0.0000016400000000, -0.0002930200000000 ] - [ -0.0003236700000000, 0.0001774800000000, -0.0001589500000000 ] - [ 0.0001678300000000, -0.0000116300000000, 0.0000131300000000 ] - [ 0.0005655400000000, 0.0001712100000000, 0.0014294300000000 ] - [ -0.0000833400000000, 0.0000431700000000, -0.0000589400000000 ] - [ 0.0001591200000000, 0.0000009700000000, -0.0000078700000000 ] - [ 0.0003963900000000, 0.0000133100000000, 0.0003352800000000 ] - [ -0.0000822000000000, -0.0000438400000000, -0.0000617300000000 ] - [ -0.0001029700000000, -0.0001398500000000, -0.0000021200000000 ] - [ 0.0000919200000000, 0.0000055000000000, 0.0001846300000000 ] - [ -0.0001931800000000, 0.0000009200000000, -0.0002972200000000 ] - [ 0.0000000700000000, 0.0001576200000000, 0.0000572800000000 ] - [ 0.0004936400000000, -0.0000935300000000, 0.0014807600000000 ] - [ 0.0000343900000000, -0.0000132200000000, -0.0004226200000000 ] - [ 0.0001992100000000, -0.0000016600000000, -0.0002910300000000 ] - [ -0.0002077300000000, -0.0000336400000000, -0.0003343700000000 ] - [ 0.0007072300000000, 0.0000291200000000, -0.0023848000000000 ] - [ -0.0002623500000000, -0.0000014800000000, -0.0008215600000000 ] - [ -0.0002026200000000, 0.0000275700000000, -0.0003641000000000 ] - [ -0.0011814500000000, 0.0001288900000000, 0.0000987400000000 ] - [ -0.0272890700000000, -0.0027139200000000, -0.0014850600000000 ] - [ 0.0011340500000000, -0.0023585600000000, 0.0062577100000000 ] - [ -0.0012763300000000, -0.0002803900000000, -0.0001019400000000 ] - [ -0.0262403200000000, 0.0053524000000000, 0.0032439300000000 ] - [ -0.0061193100000000, 0.0006903800000000, 0.0008203400000000 ] - [ -0.0073545200000000, -0.0038705400000000, 0.0061397600000000 ] - [ -0.0287717400000000, -0.0027560200000000, 0.0014903600000000 ] - [ -0.0045673300000000, -0.0009335400000000, -0.0034596700000000 ] - [ -0.0350549200000000, -0.0214030800000000, 0.0181996200000000 ] - [ 0.0084371200000000, -0.0017751100000000, 0.0006016000000000 ] - [ -0.0041495000000000, 0.0007813600000000, 0.0030753400000000 ] - [ 0.0066983900000000, 0.0001603100000000, 0.0006949200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000799000000000, 0.0004607200000000, 0.0172680500000000 ] - [ -0.0015129900000000, 0.0000379800000000, -0.0024611500000000 ] - [ 0.0005164000000000, -0.0000545700000000, -0.0001045000000000 ] - [ -0.0001083500000000, -0.0000006600000000, -0.0002248100000000 ] - [ -0.0000635900000000, 0.0020602600000000, -0.0002736100000000 ] - [ -0.0000334700000000, -0.0000137000000000, -0.0000040300000000 ] - [ -0.0002787000000000, 0.0000020400000000, -0.0000441100000000 ] - [ -0.0000337400000000, 0.0000140800000000, -0.0000042600000000 ] - [ -0.0000429400000000, -0.0000049100000000, 0.0002320400000000 ] - [ 0.0000009800000000, 0.0000002200000000, -0.0000407400000000 ] - [ 0.0001129300000000, -0.0000617400000000, -0.0003761900000000 ] - [ -0.0004912800000000, -0.0000030700000000, -0.0002328100000000 ] - [ 0.0003059700000000, 0.0000002300000000, -0.0001218600000000 ] - [ -0.0000951900000000, 0.0000039300000000, -0.0004323200000000 ] - [ 0.0001133200000000, 0.0000623700000000, -0.0003757700000000 ] - [ 0.0003644100000000, 0.0000006400000000, -0.0001977100000000 ] - [ 0.0000423400000000, 0.0016605500000000, 0.0003651800000000 ] - [ -0.0237121900000000, 0.0036128900000000, -0.0075869100000000 ] - [ 0.0001580100000000, -0.2176362400000000, 0.0259923900000000 ] - [ -0.0018242100000000, -0.0000827500000000, 0.0007106600000000 ] - [ 0.0000400600000000, -0.0016692100000000, 0.0003533000000000 ] - [ -0.0000571700000000, 0.0005208800000000, 0.0005813700000000 ] - [ 0.0013375600000000, 0.0001619900000000, 0.0156507700000000 ] - [ 0.0080895700000000, 0.0013680900000000, 0.0034135900000000 ] - [ 0.0004764600000000, -0.0000335300000000, 0.0003193600000000 ] - [ -0.0001377900000000, 0.0000077500000000, -0.0006288000000000 ] - [ -0.0000515900000000, -0.0020577000000000, -0.0002717400000000 ] - [ -0.0000875900000000, -0.0000006000000000, -0.0002666400000000 ] - [ 0.0004689600000000, 0.0000441800000000, -0.0001428600000000 ] - [ 0.0000020100000000, -0.0000204200000000, -0.0000090800000000 ] - [ -0.0000719300000000, 0.0000021100000000, 0.0000291000000000 ] - [ 0.0000016100000000, 0.0000220600000000, -0.0000094100000000 ] - [ 0.0000811000000000, -0.0000024200000000, -0.0000290900000000 ] - [ -0.0000122700000000, 0.0000004500000000, -0.0000363800000000 ] - [ 0.0000786700000000, -0.0000628300000000, -0.0003844000000000 ] - [ -0.0004166000000000, 0.0000452300000000, -0.0016980700000000 ] - [ 0.0003047700000000, 0.0000002800000000, -0.0001217700000000 ] - [ -0.0000182700000000, 0.0000043800000000, -0.0003666200000000 ] - [ 0.0000790400000000, 0.0000649100000000, -0.0003839100000000 ] - [ 0.0003364900000000, 0.0000005200000000, -0.0001687800000000 ] - [ -0.0000630700000000, 0.0003078000000000, -0.0003409000000000 ] - [ -0.0244846300000000, 0.0042812600000000, -0.0065658100000000 ] - [ -0.0000383100000000, -0.0005111900000000, 0.0005265500000000 ] - [ -0.0145711000000000, 0.0041293800000000, -0.0188201700000000 ] - [ -0.0000127700000000, -0.0003222100000000, -0.0001994500000000 ] - [ -0.0014656600000000, 0.0902192100000000, 0.0007903500000000 ] - [ -0.0003306300000000, 0.0001406100000000, 0.0006403100000000 ] - [ 0.0172158700000000, 0.0010575100000000, -0.0075675300000000 ] - [ -0.0000859100000000, -0.0000029600000000, -0.0002167500000000 ] - [ 0.0001987700000000, -0.0000068200000000, 0.0000124100000000 ] - [ 0.0091490200000000, 0.0008548800000000, -0.0018000000000000 ] - [ -0.0000081600000000, 0.0000032700000000, -0.0001444700000000 ] - [ -0.0000797900000000, -0.0000027700000000, -0.0002207700000000 ] - [ 0.0000061300000000, -0.0000054300000000, 0.0000234700000000 ] - [ 0.0062695400000000, 0.0002829000000000, 0.0063525500000000 ] - [ 0.0000011100000000, 0.0000030500000000, -0.0002693300000000 ] - [ -0.0003060800000000, -0.0031565000000000, -0.0011480200000000 ] - [ -0.0003316700000000, -0.0000081300000000, -0.0007141800000000 ] - [ -0.0000483000000000, -0.0003265300000000, 0.0002944400000000 ] - [ 0.0021451300000000, 0.0000989700000000, -0.0038121700000000 ] - [ -0.0001140200000000, -0.0001394400000000, -0.0003152800000000 ] - [ -0.0004944600000000, -0.0000001500000000, 0.0005180600000000 ] - [ -0.0023691400000000, 0.0000429300000000, 0.0040486300000000 ] - [ 0.0000904600000000, -0.0004074400000000, -0.0001190100000000 ] - [ -0.0004453200000000, 0.0000000700000000, -0.0003702500000000 ] - [ -0.0001143500000000, 0.0001399500000000, -0.0003143600000000 ] - [ -0.0000618600000000, 0.0000000500000000, -0.0002607500000000 ] - [ 0.0000823200000000, 0.0004065300000000, -0.0001127300000000 ] - [ -0.0000184400000000, 0.0000440900000000, -0.0000514400000000 ] - [ 0.0002000400000000, 0.0000001100000000, -0.0000699600000000 ] - [ 0.0002975300000000, 0.0000003600000000, 0.0001321900000000 ] - [ -0.0000183700000000, -0.0000439000000000, -0.0000515000000000 ] - [ -0.0000534800000000, -0.0001500300000000, 0.0000320500000000 ] - [ -0.0000718600000000, 0.0000003200000000, 0.0000874300000000 ] - [ -0.0001878300000000, 0.0000001600000000, -0.0003348700000000 ] - [ -0.0000486300000000, 0.0001508000000000, 0.0000281500000000 ] - [ -0.0001237000000000, 0.0002151200000000, 0.0002121000000000 ] - [ 0.0001715300000000, -0.0000006900000000, -0.0002536800000000 ] - [ 0.0001764800000000, 0.0000001900000000, -0.0002073500000000 ] - [ -0.0000958800000000, -0.0000136500000000, -0.0005147500000000 ] - [ 0.0003548700000000, 0.0002130700000000, 0.0005802000000000 ] - [ 0.0001207300000000, 0.0000293500000000, 0.0002026300000000 ] - [ -0.0000948900000000, 0.0000134000000000, -0.0005158600000000 ] - [ -0.0004243000000000, -0.0000027800000000, 0.0000917800000000 ] - [ 0.0017860100000000, -0.0022170300000000, 0.0004435600000000 ] - [ 0.0029109900000000, 0.0001819600000000, -0.0032223100000000 ] - [ 0.0004832600000000, 0.0000000900000000, -0.0006924200000000 ] - [ -0.0007855500000000, 0.0002740300000000, 0.0006500100000000 ] - [ 0.0003153600000000, -0.0000832300000000, 0.0002703900000000 ] - [ 0.0013913000000000, 0.0021383300000000, 0.0004215100000000 ] - [ 0.0004103600000000, 0.0001725600000000, 0.0003327500000000 ] - [ 0.0003303500000000, 0.0000925000000000, 0.0003027600000000 ] - [ 0.0003162200000000, 0.0002447500000000, 0.0004093900000000 ] - [ 0.0047253900000000, 0.0060331100000000, -0.0076984400000000 ] - [ -0.0010516100000000, 0.0049878500000000, -0.0002734100000000 ] - [ -0.0007852700000000, 0.0202314200000000, 0.0036544600000000 ] - [ -0.0000434700000000, 0.0003276300000000, 0.0002883700000000 ] - [ 0.0003193800000000, -0.0000021000000000, -0.0006404000000000 ] - [ -0.0002048400000000, 0.0032600600000000, -0.0010283600000000 ] - [ -0.0003829400000000, 0.0000460900000000, -0.0005156300000000 ] - [ -0.0001623200000000, -0.0001327700000000, -0.0003492400000000 ] - [ -0.0001802500000000, 0.0000123100000000, 0.0001345500000000 ] - [ -0.0004629100000000, 0.0001001600000000, 0.0003625700000000 ] - [ -0.0001365100000000, 0.0000267800000000, -0.0000978600000000 ] - [ -0.0004548300000000, 0.0000000900000000, -0.0003747300000000 ] - [ -0.0001620000000000, 0.0001334000000000, -0.0003478600000000 ] - [ -0.0000656900000000, 0.0000000500000000, -0.0002420400000000 ] - [ -0.0001352800000000, -0.0000181200000000, -0.0000919100000000 ] - [ -0.0000299000000000, 0.0000440300000000, -0.0000465100000000 ] - [ 0.0001869300000000, 0.0000001700000000, -0.0000675700000000 ] - [ 0.0002464400000000, 0.0000005500000000, 0.0001733500000000 ] - [ -0.0000297700000000, -0.0000438200000000, -0.0000465000000000 ] - [ -0.0000485400000000, -0.0001504000000000, 0.0000280500000000 ] - [ -0.0000427500000000, 0.0000006900000000, 0.0000831000000000 ] - [ -0.0001772100000000, 0.0000001700000000, -0.0003281000000000 ] - [ -0.0000535700000000, 0.0001502500000000, 0.0000320600000000 ] - [ 0.0001338600000000, -0.0000214000000000, 0.0002273900000000 ] - [ 0.0001192000000000, -0.0000000300000000, -0.0002529100000000 ] - [ 0.0001685300000000, 0.0000000800000000, -0.0002195900000000 ] - [ -0.0000749800000000, -0.0000166500000000, -0.0004673300000000 ] - [ -0.0013876800000000, 0.0000169700000000, 0.0021826300000000 ] - [ -0.0001081500000000, -0.0002154700000000, 0.0001985600000000 ] - [ -0.0000742600000000, 0.0000162600000000, -0.0004681700000000 ] - [ -0.0000353400000000, -0.0000037800000000, 0.0001750900000000 ] - [ 0.0014428600000000, 0.0199624300000000, 0.0006672200000000 ] - [ 0.0006341200000000, -0.0001184000000000, 0.0001472600000000 ] - [ -0.0000564900000000, -0.0000129100000000, -0.0003660100000000 ] - [ -0.0031572400000000, 0.0212614200000000, 0.0064829900000000 ] - [ -0.0004320700000000, 0.0042529500000000, 0.0013783100000000 ] - [ 0.0033570400000000, -0.0109768000000000, 0.0007051000000000 ] - [ 0.0029718900000000, 0.0163894600000000, -0.0007551500000000 ] - [ -0.0003110700000000, -0.0045576400000000, 0.0013288800000000 ] - [ 0.0160292300000000, 0.0487412700000000, -0.0213548100000000 ] - [ 0.0007015800000000, -0.0000964500000000, -0.0005315400000000 ] - [ -0.0004431500000000, -0.0113431800000000, 0.0022187000000000 ] - [ -0.0012025300000000, -0.0050787700000000, 0.0000003700000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003559500000000, -0.0004572300000000, -0.0166610100000000 ] - [ 0.0013881800000000, -0.0000307500000000, 0.0016847900000000 ] - [ -0.0003530200000000, 0.0001327300000000, 0.0000404200000000 ] - [ -0.0001203800000000, 0.0000007800000000, -0.0004879400000000 ] - [ 0.0002235200000000, -0.0021385700000000, 0.0002011200000000 ] - [ -0.0000043800000000, 0.0000227500000000, 0.0000170900000000 ] - [ 0.0000804200000000, -0.0000010800000000, 0.0002086600000000 ] - [ -0.0000042500000000, -0.0000229600000000, 0.0000172400000000 ] - [ -0.0001539300000000, 0.0000036200000000, -0.0001107300000000 ] - [ -0.0000066300000000, -0.0000000100000000, -0.0000070100000000 ] - [ 0.0000835500000000, -0.0000858600000000, -0.0003638300000000 ] - [ 0.0005850700000000, 0.0000040000000000, -0.0001851900000000 ] - [ 0.0002998600000000, -0.0000000400000000, -0.0001041300000000 ] - [ 0.0001515000000000, -0.0000040200000000, -0.0002264300000000 ] - [ 0.0000832300000000, 0.0000855500000000, -0.0003642500000000 ] - [ 0.0003446500000000, -0.0000004400000000, -0.0001321800000000 ] - [ 0.0000753200000000, -0.0015769400000000, -0.0003599800000000 ] - [ 0.0236327200000000, -0.0034825200000000, 0.0081706200000000 ] - [ 0.0017482700000000, 0.2186938900000000, -0.0260176500000000 ] - [ 0.0022422800000000, 0.0000893500000000, 0.0003802500000000 ] - [ 0.0000789200000000, 0.0015856000000000, -0.0003476700000000 ] - [ -0.0001644600000000, -0.0007552100000000, 0.0003670900000000 ] - [ -0.0009351900000000, -0.0001841600000000, -0.0149078200000000 ] - [ -0.0079811900000000, -0.0014972400000000, -0.0036287800000000 ] - [ -0.0001879900000000, 0.0000419200000000, 0.0002724900000000 ] - [ 0.0000129200000000, -0.0000076100000000, -0.0001483700000000 ] - [ 0.0002117900000000, 0.0021360900000000, 0.0002002500000000 ] - [ -0.0001411400000000, 0.0000007200000000, -0.0004456900000000 ] - [ -0.0003136400000000, -0.0001219100000000, 0.0000624500000000 ] - [ -0.0000399500000000, 0.0000295400000000, 0.0000221800000000 ] - [ -0.0001267100000000, -0.0000015700000000, 0.0001353000000000 ] - [ -0.0000396200000000, -0.0000307900000000, 0.0000224800000000 ] - [ -0.0002784000000000, 0.0000021900000000, 0.0001507300000000 ] - [ 0.0000066200000000, -0.0000002700000000, -0.0000113300000000 ] - [ 0.0001178800000000, -0.0000847800000000, -0.0003554800000000 ] - [ 0.0005105200000000, -0.0000448900000000, 0.0012778200000000 ] - [ 0.0003011000000000, -0.0000002100000000, -0.0001043500000000 ] - [ 0.0000750300000000, -0.0000042400000000, -0.0002928900000000 ] - [ 0.0001174200000000, 0.0000831000000000, -0.0003560100000000 ] - [ 0.0003728100000000, -0.0000003200000000, -0.0001610700000000 ] - [ 0.0001771100000000, -0.0002221900000000, 0.0003510500000000 ] - [ 0.0241268600000000, -0.0043695900000000, 0.0071508600000000 ] - [ -0.0001723100000000, 0.0007450600000000, 0.0004236000000000 ] - [ 0.0149445000000000, -0.0042214500000000, 0.0198001600000000 ] - [ 0.0001277600000000, 0.0002367800000000, 0.0002033200000000 ] - [ 0.0011848000000000, -0.0904798700000000, 0.0001553500000000 ] - [ 0.0007298400000000, -0.0001503300000000, 0.0001221100000000 ] - [ -0.0171631900000000, -0.0010894700000000, 0.0073435900000000 ] - [ -0.0000820600000000, -0.0000028800000000, -0.0002080000000000 ] - [ -0.0001413800000000, 0.0000002700000000, 0.0000207900000000 ] - [ -0.0088799100000000, -0.0008717700000000, 0.0028145100000000 ] - [ -0.0000134300000000, 0.0000037200000000, -0.0003774300000000 ] - [ -0.0000881400000000, -0.0000030100000000, -0.0002042600000000 ] - [ 0.0000518800000000, -0.0000010800000000, 0.0000102700000000 ] - [ -0.0060380900000000, -0.0002322200000000, -0.0053502200000000 ] - [ -0.0000227400000000, 0.0000040300000000, -0.0002523200000000 ] - [ 0.0003043100000000, 0.0032296700000000, 0.0013609000000000 ] - [ 0.0001281800000000, 0.0000070000000000, 0.0001930000000000 ] - [ 0.0000326700000000, 0.0002525800000000, -0.0000791000000000 ] - [ -0.0028295700000000, -0.0001047800000000, 0.0027869000000000 ] - [ -0.0001473100000000, -0.0000869400000000, -0.0003539300000000 ] - [ 0.0001056200000000, -0.0000000800000000, -0.0004974600000000 ] - [ 0.0019298500000000, -0.0000366400000000, -0.0041781700000000 ] - [ -0.0002590500000000, 0.0004233700000000, -0.0002116500000000 ] - [ -0.0004568300000000, 0.0000000400000000, -0.0003740100000000 ] - [ -0.0001471200000000, 0.0000868600000000, -0.0003544300000000 ] - [ -0.0001027800000000, 0.0000000600000000, -0.0001965600000000 ] - [ -0.0002530500000000, -0.0004227500000000, -0.0002145600000000 ] - [ -0.0000301800000000, 0.0000405600000000, -0.0000639600000000 ] - [ 0.0001943300000000, 0.0000000200000000, -0.0000950900000000 ] - [ 0.0002804200000000, -0.0000002000000000, 0.0000854400000000 ] - [ -0.0000302400000000, -0.0000404200000000, -0.0000636100000000 ] - [ -0.0000513000000000, -0.0001475400000000, 0.0000111500000000 ] - [ -0.0000318200000000, -0.0000002300000000, 0.0000400300000000 ] - [ -0.0001765400000000, 0.0000000000000000, -0.0003507800000000 ] - [ -0.0000563100000000, 0.0001471500000000, 0.0000151400000000 ] - [ 0.0000825400000000, -0.0003017100000000, 0.0000907000000000 ] - [ 0.0000942200000000, 0.0000008500000000, -0.0002315800000000 ] - [ 0.0001650100000000, 0.0000000500000000, -0.0002315300000000 ] - [ -0.0000827300000000, -0.0000475100000000, -0.0005012300000000 ] - [ -0.0001357700000000, -0.0002202300000000, -0.0002704700000000 ] - [ -0.0001626400000000, 0.0000578300000000, 0.0001000600000000 ] - [ -0.0000833800000000, 0.0000479900000000, -0.0004996400000000 ] - [ 0.0000358900000000, 0.0000031100000000, -0.0004878600000000 ] - [ -0.0017536300000000, 0.0025413000000000, -0.0000231400000000 ] - [ -0.0020997800000000, -0.0001757000000000, 0.0035177000000000 ] - [ -0.0003561500000000, -0.0000002600000000, 0.0004230100000000 ] - [ 0.0006961400000000, -0.0002922600000000, 0.0000925900000000 ] - [ -0.0003287900000000, 0.0004566800000000, 0.0006417400000000 ] - [ -0.0013470900000000, -0.0024732500000000, -0.0000382700000000 ] - [ -0.0002786600000000, -0.0001794900000000, 0.0007746200000000 ] - [ -0.0003428300000000, -0.0004656500000000, 0.0006058900000000 ] - [ -0.0002003900000000, -0.0002207200000000, 0.0002652600000000 ] - [ -0.0038985300000000, -0.0069670400000000, 0.0071609000000000 ] - [ 0.0009213200000000, -0.0047451100000000, 0.0012522900000000 ] - [ 0.0001481000000000, -0.0204726100000000, -0.0029538300000000 ] - [ 0.0000285700000000, -0.0002533300000000, -0.0000715000000000 ] - [ -0.0005230400000000, 0.0000027700000000, 0.0001186200000000 ] - [ 0.0001816400000000, -0.0033348100000000, 0.0012524300000000 ] - [ -0.0003029900000000, -0.0000564900000000, -0.0005075000000000 ] - [ -0.0000988700000000, -0.0000934900000000, -0.0003197000000000 ] - [ -0.0002083600000000, -0.0000111000000000, -0.0001133000000000 ] - [ 0.0000237900000000, -0.0000833200000000, -0.0004895700000000 ] - [ -0.0000332100000000, -0.0000106000000000, -0.0002322200000000 ] - [ -0.0004472300000000, 0.0000001100000000, -0.0003695000000000 ] - [ -0.0000990700000000, 0.0000933000000000, -0.0003209700000000 ] - [ -0.0000985900000000, 0.0000001000000000, -0.0002154700000000 ] - [ -0.0000333800000000, 0.0000025400000000, -0.0002362600000000 ] - [ -0.0000188100000000, 0.0000404500000000, -0.0000689600000000 ] - [ 0.0002074700000000, 0.0000000000000000, -0.0000971800000000 ] - [ 0.0003316100000000, -0.0000003100000000, 0.0000441000000000 ] - [ -0.0000188600000000, -0.0000404900000000, -0.0000686200000000 ] - [ -0.0000563100000000, -0.0001470800000000, 0.0000151800000000 ] - [ -0.0000610500000000, -0.0000004200000000, 0.0000440600000000 ] - [ -0.0001870900000000, 0.0000000800000000, -0.0003575200000000 ] - [ -0.0000513700000000, 0.0001476000000000, 0.0000111500000000 ] - [ -0.0001762200000000, -0.0000652200000000, 0.0000735500000000 ] - [ 0.0001468100000000, 0.0000005400000000, -0.0002318800000000 ] - [ 0.0001727600000000, 0.0000001500000000, -0.0002188100000000 ] - [ -0.0001034700000000, -0.0000446200000000, -0.0005487900000000 ] - [ 0.0016057700000000, -0.0000203500000000, -0.0018710000000000 ] - [ 0.0000660900000000, 0.0003029300000000, 0.0001044000000000 ] - [ -0.0001037700000000, 0.0000452100000000, -0.0005478200000000 ] - [ -0.0003515200000000, 0.0000048300000000, -0.0005715900000000 ] - [ -0.0012229900000000, -0.0196376300000000, -0.0001216500000000 ] - [ 0.0001802600000000, 0.0001342500000000, 0.0001368900000000 ] - [ 0.0001856600000000, 0.0000118600000000, 0.0000959100000000 ] - [ 0.0022017600000000, -0.0197131200000000, -0.0046502800000000 ] - [ 0.0004372700000000, -0.0038765300000000, -0.0004582300000000 ] - [ -0.0032577800000000, 0.0106799400000000, -0.0002619700000000 ] - [ -0.0022760200000000, -0.0149545700000000, 0.0007676100000000 ] - [ 0.0002795100000000, 0.0041887200000000, -0.0004278100000000 ] - [ -0.0177307500000000, -0.0514733400000000, 0.0238386400000000 ] - [ -0.0003045700000000, 0.0001102400000000, 0.0006122500000000 ] - [ 0.0002031300000000, 0.0116060900000000, -0.0012826100000000 ] - [ 0.0010469300000000, 0.0048269200000000, 0.0009448900000000 ]- atom: 19 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0068195700000000, 0.0081859500000000, 0.0141751200000000 ] - [ -0.0032829700000000, -0.0024168300000000, 0.0049158400000000 ] - [ 0.0020150900000000, -0.0000207000000000, 0.0027623200000000 ] - [ -0.0001197500000000, 0.0000416200000000, 0.0033306600000000 ] - [ -0.0015080500000000, 0.0002782700000000, 0.0016680900000000 ] - [ 0.0000909800000000, 0.0000183000000000, 0.0036444400000000 ] - [ -0.0005761100000000, -0.0001824600000000, 0.0034536700000000 ] - [ 0.0001167600000000, -0.0000185500000000, 0.0036693200000000 ] - [ -0.0008912400000000, 0.0003420800000000, 0.0041246100000000 ] - [ 0.0001095600000000, -0.0000026900000000, 0.0036318900000000 ] - [ 0.0000993400000000, 0.0000947600000000, 0.0027731500000000 ] - [ 0.0018937700000000, -0.0001148800000000, 0.0010667600000000 ] - [ 0.0002497400000000, 0.0000026200000000, 0.0031967400000000 ] - [ 0.0005890800000000, -0.0000592200000000, 0.0037639400000000 ] - [ 0.0000875300000000, -0.0000944400000000, 0.0027609200000000 ] - [ 0.0001175900000000, -0.0000079900000000, 0.0030408400000000 ] - [ -0.0013773300000000, 0.0000915100000000, 0.0019043900000000 ] - [ 0.0002851600000000, -0.0114562000000000, -0.0293195000000000 ] - [ -0.0496443300000000, 0.0253056700000000, -0.1677344400000000 ] - [ -0.0014191800000000, -0.0008983200000000, -0.0036281300000000 ] - [ -0.0016055400000000, -0.0000969000000000, 0.0017477100000000 ] - [ 0.0027770100000000, -0.0002296000000000, -0.0103198600000000 ] - [ -0.0060293100000000, 0.0050415400000000, 0.0150449100000000 ] - [ 0.0138267100000000, 0.0127134300000000, 0.0009573100000000 ] - [ 0.0027636500000000, -0.0004497700000000, -0.0019375500000000 ] - [ 0.0015328200000000, -0.0000986600000000, 0.0008049500000000 ] - [ -0.0018647700000000, -0.0002728700000000, 0.0014613100000000 ] - [ -0.0002525700000000, 0.0000341600000000, 0.0022048200000000 ] - [ 0.0045660500000000, -0.0000062700000000, 0.0053223900000000 ] - [ 0.0003924300000000, 0.0000208500000000, 0.0035873500000000 ] - [ 0.0007704200000000, -0.0000657800000000, 0.0035070800000000 ] - [ 0.0004125400000000, -0.0000208700000000, 0.0035991600000000 ] - [ 0.0002599700000000, 0.0000472800000000, 0.0027211500000000 ] - [ 0.0001187300000000, -0.0000025800000000, 0.0036425500000000 ] - [ 0.0003450900000000, 0.0001020100000000, 0.0027641600000000 ] - [ -0.0028048800000000, -0.0013056500000000, 0.0050245900000000 ] - [ 0.0002077700000000, 0.0000036400000000, 0.0031074200000000 ] - [ -0.0004762000000000, -0.0001116700000000, 0.0035281300000000 ] - [ 0.0003354000000000, -0.0001015800000000, 0.0027566300000000 ] - [ 0.0001700200000000, -0.0000105500000000, 0.0028445400000000 ] - [ 0.0030740500000000, 0.0004095100000000, 0.0050097900000000 ] - [ 0.0005256900000000, -0.0107925600000000, -0.0319436700000000 ] - [ -0.0004482900000000, 0.0001768300000000, -0.0112475200000000 ] - [ 0.0112740900000000, -0.0219103200000000, 0.0241539800000000 ] - [ 0.0016549600000000, -0.0004040200000000, 0.0033582200000000 ] - [ 0.0112826600000000, -0.0002381800000000, -0.0464320700000000 ] - [ 0.0041959400000000, -0.0008158100000000, -0.0013420200000000 ] - [ -0.0138725200000000, -0.0007497600000000, -0.0027611900000000 ] - [ -0.0001724800000000, -0.0000018300000000, 0.0020863200000000 ] - [ -0.0004093100000000, 0.0001113900000000, 0.0028021400000000 ] - [ -0.0100817500000000, 0.0002667500000000, -0.0052835300000000 ] - [ -0.0000142700000000, 0.0000117200000000, 0.0019146500000000 ] - [ -0.0001528300000000, -0.0000019000000000, 0.0021288600000000 ] - [ 0.0004157600000000, 0.0000295200000000, 0.0020891500000000 ] - [ 0.0096524600000000, 0.0079461900000000, -0.0029013900000000 ] - [ -0.0000181700000000, 0.0000142200000000, 0.0026003500000000 ] - [ -0.0003863200000000, -0.0006496000000000, -0.0025034600000000 ] - [ -0.0009708800000000, 0.0006525300000000, -0.0039675600000000 ] - [ -0.0001203100000000, -0.0001826200000000, 0.0005398700000000 ] - [ 0.0026364800000000, -0.0003886200000000, -0.0023026800000000 ] - [ -0.0002133300000000, 0.0000596700000000, -0.0021679600000000 ] - [ 0.0004290700000000, 0.0000354400000000, -0.0013479600000000 ] - [ 0.0023614400000000, 0.0003219800000000, -0.0006711400000000 ] - [ 0.0006049500000000, 0.0000451400000000, -0.0022491800000000 ] - [ -0.0002327400000000, 0.0000044800000000, -0.0025617800000000 ] - [ -0.0001672300000000, -0.0000836500000000, -0.0022553200000000 ] - [ 0.0001828500000000, 0.0000213700000000, -0.0025673200000000 ] - [ 0.0012659500000000, 0.0001055400000000, -0.0028952200000000 ] - [ -0.0000263600000000, 0.0000140800000000, -0.0022315200000000 ] - [ 0.0003514700000000, -0.0000024700000000, -0.0023541800000000 ] - [ 0.0006843200000000, -0.0000237200000000, -0.0024510400000000 ] - [ -0.0000285500000000, -0.0000128600000000, -0.0022282100000000 ] - [ -0.0003676000000000, -0.0003375800000000, -0.0020462600000000 ] - [ 0.0000240000000000, -0.0000065100000000, -0.0022392100000000 ] - [ -0.0001068900000000, -0.0000007700000000, -0.0024758400000000 ] - [ -0.0003711900000000, 0.0003377800000000, -0.0021091000000000 ] - [ 0.0009767500000000, 0.0000138700000000, -0.0024114000000000 ] - [ 0.0000288200000000, 0.0000098000000000, -0.0024369200000000 ] - [ 0.0000977700000000, 0.0000019700000000, -0.0029103700000000 ] - [ 0.0000315300000000, -0.0000054000000000, -0.0026708500000000 ] - [ -0.0022456100000000, -0.0010535300000000, -0.0023087900000000 ] - [ -0.0007855000000000, 0.0000831700000000, -0.0018477300000000 ] - [ 0.0000133100000000, 0.0000155300000000, -0.0026330400000000 ] - [ 0.0003782900000000, 0.0000232600000000, -0.0018412900000000 ] - [ 0.0037380100000000, -0.0001569200000000, 0.0067436900000000 ] - [ 0.0039595600000000, 0.0000389400000000, -0.0008711900000000 ] - [ 0.0005032700000000, 0.0000007000000000, -0.0014121100000000 ] - [ -0.0035646000000000, 0.0015766400000000, 0.0061761000000000 ] - [ -0.0002021100000000, 0.0002849600000000, 0.0014085200000000 ] - [ 0.0005248900000000, 0.0008962100000000, 0.0099806400000000 ] - [ -0.0017179100000000, -0.0005852500000000, 0.0061203100000000 ] - [ -0.0005068800000000, -0.0002800500000000, 0.0016767200000000 ] - [ -0.0055953200000000, -0.0021673100000000, 0.0058159200000000 ] - [ 0.0073232800000000, -0.0023851800000000, 0.0251875900000000 ] - [ 0.0024442400000000, -0.0020042500000000, 0.0097791400000000 ] - [ 0.0365641700000000, 0.0027518500000000, 0.0432126900000000 ] - [ -0.0002882900000000, 0.0002105300000000, 0.0006351200000000 ] - [ 0.0003811200000000, -0.0000128000000000, -0.0018587600000000 ] - [ -0.0001701300000000, 0.0012147900000000, -0.0082624800000000 ] - [ -0.0026226200000000, 0.0010555500000000, -0.0014016100000000 ] - [ -0.0006435700000000, 0.0000182000000000, -0.0024586300000000 ] - [ -0.0009533200000000, -0.0004764700000000, -0.0030272400000000 ] - [ -0.0027964200000000, -0.0014861200000000, -0.0018704300000000 ] - [ -0.0008299300000000, 0.0001675400000000, -0.0018921300000000 ] - [ -0.0003242100000000, 0.0000042500000000, -0.0025830500000000 ] - [ -0.0006670000000000, -0.0000269700000000, -0.0025232100000000 ] - [ -0.0000977600000000, 0.0000062800000000, -0.0022779000000000 ] - [ -0.0008834400000000, -0.0001751000000000, -0.0020655400000000 ] - [ -0.0000054000000000, 0.0000152000000000, -0.0022815100000000 ] - [ 0.0002646000000000, -0.0000019800000000, -0.0023798600000000 ] - [ 0.0004312800000000, -0.0000087800000000, -0.0021650000000000 ] - [ -0.0000061600000000, -0.0000141200000000, -0.0022790200000000 ] - [ -0.0003712400000000, -0.0003375000000000, -0.0021059500000000 ] - [ -0.0001568400000000, -0.0000035900000000, -0.0021011600000000 ] - [ -0.0001935500000000, -0.0000006000000000, -0.0025151700000000 ] - [ -0.0003656400000000, 0.0003384800000000, -0.0020497000000000 ] - [ -0.0008414700000000, -0.0000472900000000, -0.0020649800000000 ] - [ 0.0002851600000000, 0.0000150200000000, -0.0025870300000000 ] - [ 0.0001796400000000, 0.0000020900000000, -0.0028328800000000 ] - [ -0.0002219500000000, -0.0000002800000000, -0.0029358000000000 ] - [ 0.0027081800000000, 0.0001127800000000, -0.0015093800000000 ] - [ 0.0006703600000000, 0.0000938500000000, -0.0020501300000000 ] - [ -0.0002222600000000, 0.0000060500000000, -0.0029061400000000 ] - [ -0.0008497200000000, -0.0001735700000000, -0.0031957700000000 ] - [ 0.0041977600000000, 0.0025272200000000, 0.0298245200000000 ] - [ -0.0024532500000000, 0.0018282500000000, -0.0022582700000000 ] - [ -0.0005306100000000, 0.0003930600000000, -0.0034452400000000 ] - [ 0.0019434200000000, 0.0047032200000000, 0.0345811800000000 ] - [ 0.0003095300000000, 0.0008117200000000, -0.0068603600000000 ] - [ -0.0044919500000000, 0.0056977100000000, 0.0136981800000000 ] - [ 0.0014648500000000, -0.0016236400000000, 0.0299264300000000 ] - [ -0.0010861400000000, -0.0002007000000000, -0.0031569800000000 ] - [ -0.0106254900000000, -0.0201322300000000, 0.0367947000000000 ] - [ -0.0045713200000000, 0.0017958400000000, 0.0067684900000000 ] - [ -0.0009078800000000, -0.0028534200000000, 0.0132464300000000 ] - [ 0.0054591600000000, 0.0012584800000000, 0.0069523100000000 ]- atom: 19 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0069872900000000, -0.0080192000000000, -0.0135667400000000 ] - [ 0.0031160700000000, 0.0023645900000000, -0.0056683100000000 ] - [ -0.0018431800000000, 0.0000972500000000, -0.0028388200000000 ] - [ -0.0001088700000000, -0.0000405800000000, -0.0040300900000000 ] - [ 0.0016630300000000, -0.0003574700000000, -0.0017528300000000 ] - [ -0.0001302300000000, -0.0000095200000000, -0.0036241900000000 ] - [ 0.0003717800000000, 0.0001788200000000, -0.0032838300000000 ] - [ -0.0001554900000000, 0.0000099300000000, -0.0036485400000000 ] - [ 0.0006849800000000, -0.0003349600000000, -0.0039896500000000 ] - [ -0.0001144600000000, 0.0000028900000000, -0.0036729000000000 ] - [ 0.0000978700000000, -0.0002418700000000, -0.0035078500000000 ] - [ -0.0018073400000000, 0.0001160700000000, -0.0014761500000000 ] - [ 0.0003554900000000, -0.0000023900000000, -0.0034157400000000 ] - [ -0.0005352000000000, 0.0000596600000000, -0.0044160800000000 ] - [ 0.0001099100000000, 0.0002418700000000, -0.0034954800000000 ] - [ 0.0005913200000000, 0.0000082600000000, -0.0033659100000000 ] - [ 0.0014944200000000, -0.0000043500000000, -0.0018867200000000 ] - [ -0.0006266200000000, 0.0115344200000000, 0.0298741200000000 ] - [ 0.0492259500000000, -0.0259324600000000, 0.1702769600000000 ] - [ 0.0018281200000000, 0.0008976900000000, 0.0047331400000000 ] - [ 0.0017264800000000, 0.0000098000000000, -0.0017290300000000 ] - [ -0.0029987800000000, -0.0000016600000000, 0.0112702100000000 ] - [ 0.0065081900000000, -0.0051640100000000, -0.0143277700000000 ] - [ -0.0136718300000000, -0.0127111100000000, -0.0012705500000000 ] - [ -0.0024634300000000, 0.0004553000000000, 0.0024924100000000 ] - [ -0.0016454500000000, 0.0000977300000000, -0.0015929600000000 ] - [ 0.0020126700000000, 0.0003526000000000, -0.0015477100000000 ] - [ 0.0000230600000000, -0.0000331800000000, -0.0029170900000000 ] - [ -0.0043395600000000, -0.0000707600000000, -0.0053637600000000 ] - [ -0.0004281500000000, -0.0000119700000000, -0.0035674500000000 ] - [ -0.0009606600000000, 0.0000651000000000, -0.0033357800000000 ] - [ -0.0004478900000000, 0.0000123700000000, -0.0035790400000000 ] - [ -0.0004522000000000, -0.0000470000000000, -0.0025993100000000 ] - [ -0.0001243300000000, 0.0000027400000000, -0.0036831300000000 ] - [ -0.0001489600000000, -0.0002491700000000, -0.0034986700000000 ] - [ 0.0029139900000000, 0.0013294900000000, -0.0054455500000000 ] - [ 0.0003973700000000, -0.0000034100000000, -0.0033271300000000 ] - [ 0.0005346200000000, 0.0001136900000000, -0.0041792800000000 ] - [ -0.0001392300000000, 0.0002491200000000, -0.0034911500000000 ] - [ 0.0005384400000000, 0.0000109200000000, -0.0031687100000000 ] - [ -0.0029831100000000, -0.0003233300000000, -0.0050098500000000 ] - [ -0.0006693500000000, 0.0107489900000000, 0.0325938200000000 ] - [ 0.0002358200000000, 0.0000552600000000, 0.0121979600000000 ] - [ -0.0110035200000000, 0.0222320200000000, -0.0233187500000000 ] - [ -0.0015386000000000, 0.0003171000000000, -0.0033422600000000 ] - [ -0.0115251700000000, 0.0000119800000000, 0.0474055800000000 ] - [ -0.0037991300000000, 0.0008083200000000, 0.0021194900000000 ] - [ 0.0139469600000000, 0.0007191300000000, 0.0024286100000000 ] - [ 0.0000040900000000, -0.0000040300000000, -0.0025061900000000 ] - [ 0.0004690600000000, -0.0001197900000000, -0.0027654500000000 ] - [ 0.0103412000000000, -0.0002612600000000, 0.0063356000000000 ] - [ -0.0000075000000000, -0.0000048100000000, -0.0024313900000000 ] - [ -0.0000153400000000, -0.0000038900000000, -0.0025491100000000 ] - [ -0.0003593100000000, -0.0000362000000000, -0.0020498200000000 ] - [ -0.0094427500000000, -0.0079671900000000, 0.0039442000000000 ] - [ -0.0000034000000000, -0.0000073300000000, -0.0031201800000000 ] - [ 0.0003881400000000, 0.0007302700000000, 0.0027398900000000 ] - [ 0.0007576400000000, -0.0006378600000000, 0.0034292000000000 ] - [ 0.0001020100000000, 0.0001067500000000, -0.0003115500000000 ] - [ -0.0033138200000000, 0.0003758900000000, 0.0013017000000000 ] - [ -0.0000472100000000, -0.0002861600000000, 0.0014978900000000 ] - [ -0.0008164400000000, -0.0000345100000000, 0.0013738300000000 ] - [ -0.0027888200000000, -0.0003118000000000, 0.0005680200000000 ] - [ -0.0007670200000000, -0.0000291600000000, 0.0019224400000000 ] - [ -0.0006693100000000, -0.0000042500000000, 0.0018146500000000 ] - [ -0.0000922900000000, 0.0003099900000000, 0.0015835000000000 ] - [ -0.0003442100000000, -0.0000206900000000, 0.0021047900000000 ] - [ -0.0014142100000000, -0.0001179600000000, 0.0025559900000000 ] - [ -0.0000227000000000, 0.0000701100000000, 0.0021112000000000 ] - [ 0.0000438400000000, 0.0000025400000000, 0.0021847500000000 ] - [ -0.0001044500000000, 0.0000232700000000, 0.0026631000000000 ] - [ -0.0000204600000000, -0.0000710400000000, 0.0021081500000000 ] - [ 0.0002629200000000, 0.0000396400000000, 0.0020866700000000 ] - [ -0.0001281600000000, 0.0000067300000000, 0.0023622100000000 ] - [ -0.0002569700000000, 0.0000009500000000, 0.0017856700000000 ] - [ 0.0002667000000000, -0.0000395300000000, 0.0021488800000000 ] - [ -0.0010248700000000, -0.0001012700000000, 0.0027112800000000 ] - [ 0.0002359500000000, -0.0000096500000000, 0.0019460600000000 ] - [ 0.0002440800000000, -0.0000017500000000, 0.0024643900000000 ] - [ -0.0002097600000000, -0.0000574500000000, 0.0016494600000000 ] - [ 0.0024744800000000, 0.0010547900000000, 0.0026176600000000 ] - [ 0.0007459100000000, 0.0000038100000000, 0.0021438800000000 ] - [ -0.0001909000000000, 0.0000473500000000, 0.0016115000000000 ] - [ -0.0007671200000000, -0.0000235200000000, 0.0014368400000000 ] - [ -0.0036895200000000, 0.0004813700000000, -0.0063387100000000 ] - [ -0.0031432400000000, -0.0000312400000000, 0.0011434300000000 ] - [ -0.0003744400000000, -0.0000003700000000, 0.0011332200000000 ] - [ 0.0034863200000000, -0.0015887900000000, -0.0054165700000000 ] - [ 0.0001926300000000, 0.0000876100000000, -0.0005050100000000 ] - [ -0.0004819500000000, -0.0012187300000000, -0.0095813200000000 ] - [ 0.0018531500000000, 0.0005847000000000, -0.0050178700000000 ] - [ 0.0004966900000000, -0.0000922600000000, -0.0007746300000000 ] - [ 0.0057197300000000, 0.0021824500000000, -0.0051339500000000 ] - [ -0.0066753000000000, 0.0019528300000000, -0.0256461700000000 ] - [ -0.0025960200000000, 0.0022577400000000, -0.0088195500000000 ] - [ -0.0347554300000000, -0.0029414900000000, -0.0415824900000000 ] - [ 0.0002714800000000, -0.0001345200000000, -0.0004064000000000 ] - [ -0.0005843700000000, 0.0000128100000000, 0.0013441800000000 ] - [ 0.0001628200000000, -0.0012853700000000, 0.0083673500000000 ] - [ 0.0019118600000000, -0.0010497700000000, 0.0003894600000000 ] - [ 0.0003790500000000, -0.0002448500000000, 0.0017851400000000 ] - [ 0.0005525900000000, 0.0004661500000000, 0.0030344500000000 ] - [ 0.0023344900000000, 0.0014829900000000, 0.0017572000000000 ] - [ 0.0006544800000000, -0.0001521900000000, 0.0015641200000000 ] - [ -0.0005789300000000, -0.0000039600000000, 0.0018356800000000 ] - [ 0.0004019300000000, 0.0002539100000000, 0.0018485000000000 ] - [ -0.0000670000000000, -0.0000060800000000, 0.0018181600000000 ] - [ 0.0007082400000000, 0.0001602300000000, 0.0017377000000000 ] - [ -0.0000441100000000, 0.0000688400000000, 0.0021614700000000 ] - [ 0.0001298300000000, 0.0000021100000000, 0.0022105200000000 ] - [ 0.0001457100000000, 0.0000089100000000, 0.0023797500000000 ] - [ -0.0000432700000000, -0.0000697200000000, 0.0021591900000000 ] - [ 0.0002667700000000, 0.0000396000000000, 0.0021458800000000 ] - [ 0.0000535100000000, 0.0000038700000000, 0.0022234900000000 ] - [ -0.0001699000000000, 0.0000008800000000, 0.0018250700000000 ] - [ 0.0002608300000000, -0.0000402500000000, 0.0020900300000000 ] - [ 0.0008020400000000, -0.0000390100000000, 0.0023605100000000 ] - [ -0.0000213500000000, -0.0000147700000000, 0.0020970600000000 ] - [ 0.0001619200000000, -0.0000019100000000, 0.0023872200000000 ] - [ 0.0000448800000000, -0.0000626800000000, 0.0019153700000000 ] - [ -0.0024937000000000, -0.0001187600000000, 0.0018103800000000 ] - [ -0.0007144400000000, -0.0000072400000000, 0.0023442300000000 ] - [ 0.0000455600000000, 0.0000571600000000, 0.0018855100000000 ] - [ 0.0004655700000000, 0.0001775700000000, 0.0027969700000000 ] - [ -0.0056052200000000, -0.0020195200000000, -0.0306066400000000 ] - [ 0.0032784100000000, -0.0018233400000000, 0.0025295800000000 ] - [ 0.0006631900000000, -0.0004014300000000, 0.0031748700000000 ] - [ -0.0023434100000000, -0.0041703700000000, -0.0334268500000000 ] - [ -0.0003247100000000, -0.0004485800000000, 0.0078066700000000 ] - [ 0.0045302000000000, -0.0060451100000000, -0.0133083300000000 ] - [ -0.0010483300000000, 0.0023026900000000, -0.0294448900000000 ] - [ 0.0010565300000000, -0.0001740800000000, 0.0040384900000000 ] - [ 0.0103807600000000, 0.0196319300000000, -0.0360684700000000 ] - [ 0.0049694500000000, -0.0017900600000000, -0.0066901800000000 ] - [ 0.0007707800000000, 0.0031053800000000, -0.0122710600000000 ] - [ -0.0056288800000000, -0.0015109800000000, -0.0059890100000000 ]- atom: 20 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0016445400000000, 0.0000000000000000, 0.0005693200000000 ] - [ 0.0007413700000000, 0.0000000000000000, -0.0002986600000000 ] - [ 0.0004197900000000, -0.0001408300000000, -0.0006518200000000 ] - [ -0.0000151100000000, 0.0000000000000000, -0.0004415100000000 ] - [ -0.0004373100000000, -0.0000665200000000, 0.0006891400000000 ] - [ -0.0000330400000000, 0.0000020700000000, 0.0000085900000000 ] - [ -0.0001456600000000, 0.0000000000000000, 0.0002207300000000 ] - [ -0.0000330400000000, -0.0000020700000000, 0.0000085900000000 ] - [ 0.0001839700000000, 0.0000000000000000, 0.0001192700000000 ] - [ -0.0000061900000000, 0.0000000000000000, 0.0001039600000000 ] - [ -0.0002109800000000, 0.0001043100000000, 0.0002179500000000 ] - [ 0.0071087800000000, 0.0000000000000000, -0.0248598400000000 ] - [ 0.0003916500000000, 0.0000000000000000, -0.0002385400000000 ] - [ 0.0015883300000000, 0.0000000000000000, -0.0023853500000000 ] - [ -0.0002109800000000, -0.0001043100000000, 0.0002179500000000 ] - [ 0.0011390700000000, 0.0000000000000000, -0.0002730000000000 ] - [ -0.0223327600000000, 0.0139243600000000, 0.0128664100000000 ] - [ 0.0077631400000000, 0.0000000000000000, -0.0250357500000000 ] - [ 0.0067660600000000, -0.0019024600000000, -0.0021409600000000 ] - [ -0.2072909600000000, 0.0000000000000000, -0.0012539900000000 ] - [ -0.0223327600000000, -0.0139243600000000, 0.0128664100000000 ] - [ -0.0224332900000000, 0.0146390100000000, 0.0149442500000000 ] - [ 0.0279542600000000, 0.0000000000000000, 0.0005761300000000 ] - [ -0.0000069300000000, 0.0000000000000000, -0.0038044300000000 ] - [ -0.0007237400000000, 0.0000000000000000, 0.0000208000000000 ] - [ -0.0007771200000000, 0.0000000000000000, -0.0007213800000000 ] - [ -0.0004373100000000, 0.0000665200000000, 0.0006891400000000 ] - [ -0.0002063900000000, 0.0000000000000000, -0.0002776600000000 ] - [ 0.0004197900000000, 0.0001408300000000, -0.0006518200000000 ] - [ -0.0000107400000000, 0.0000017400000000, -0.0000010700000000 ] - [ -0.0000844400000000, 0.0000000000000000, -0.0000634100000000 ] - [ -0.0000107400000000, -0.0000017400000000, -0.0000010700000000 ] - [ -0.0003322800000000, 0.0000000000000000, -0.0000008800000000 ] - [ -0.0000312000000000, 0.0000000000000000, -0.0001593500000000 ] - [ 0.0002323600000000, -0.0000996200000000, -0.0008900400000000 ] - [ 0.0050201400000000, 0.0000000000000000, 0.0022773600000000 ] - [ 0.0002221400000000, 0.0000000000000000, 0.0000056500000000 ] - [ -0.0039604400000000, 0.0000000000000000, 0.0017070800000000 ] - [ 0.0002323600000000, 0.0000996200000000, -0.0008900400000000 ] - [ -0.0003369300000000, 0.0000000000000000, -0.0002196400000000 ] - [ 0.0071646600000000, 0.0019944800000000, -0.0019614700000000 ] - [ 0.0056903100000000, 0.0000000000000000, 0.0019015900000000 ] - [ -0.0224332900000000, -0.0146390100000000, 0.0149442500000000 ] - [ 0.0083073100000000, 0.0000000000000000, -0.0008585300000000 ] - [ 0.0071646600000000, -0.0019944800000000, -0.0019614700000000 ] - [ 0.0067660600000000, 0.0019024600000000, -0.0021409600000000 ] - [ 0.0074563800000000, 0.0000000000000000, 0.0003614300000000 ] - [ 0.0040980200000000, 0.0000000000000000, 0.0036050300000000 ] - [ -0.0002312900000000, 0.0000000000000000, -0.0002314800000000 ] - [ 0.0024050400000000, 0.0000000000000000, 0.0028483700000000 ] - [ 0.0035450100000000, 0.0000000000000000, -0.0021002500000000 ] - [ -0.0008993800000000, 0.0000000000000000, -0.0004264700000000 ] - [ 0.0000868800000000, 0.0000000000000000, -0.0001963800000000 ] - [ -0.0001185500000000, 0.0000000000000000, -0.0027505800000000 ] - [ 0.0187137800000000, 0.0000000000000000, 0.0033247000000000 ] - [ 0.0011770300000000, 0.0000000000000000, -0.0000924700000000 ] - [ -0.0006376200000000, 0.0000872300000000, 0.0002704100000000 ] - [ -0.0002359900000000, 0.0000000000000000, -0.0001385900000000 ] - [ 0.0007572400000000, 0.0000581500000000, 0.0001867300000000 ] - [ -0.0005025600000000, 0.0000000000000000, -0.0013128400000000 ] - [ -0.0001061100000000, -0.0001029500000000, -0.0003744500000000 ] - [ 0.0000147800000000, 0.0000000000000000, -0.0001018000000000 ] - [ -0.0006361300000000, 0.0000000000000000, -0.0012935100000000 ] - [ -0.0002810100000000, 0.0000372900000000, -0.0003942300000000 ] - [ -0.0004225000000000, 0.0000000000000000, -0.0003744700000000 ] - [ -0.0001061100000000, 0.0001029500000000, -0.0003744500000000 ] - [ -0.0001374300000000, 0.0000000000000000, -0.0002502200000000 ] - [ -0.0002810100000000, -0.0000372900000000, -0.0003942300000000 ] - [ 0.0001670700000000, 0.0000512900000000, 0.0001061300000000 ] - [ 0.0002613100000000, 0.0000000000000000, -0.0000816600000000 ] - [ 0.0002574800000000, 0.0000000000000000, 0.0000998300000000 ] - [ 0.0001670700000000, -0.0000512900000000, 0.0001061300000000 ] - [ -0.0000461000000000, -0.0001542500000000, -0.0000224900000000 ] - [ -0.0004076100000000, 0.0000000000000000, -0.0006098800000000 ] - [ -0.0000733000000000, 0.0000000000000000, -0.0004755100000000 ] - [ -0.0000541400000000, 0.0001411700000000, 0.0000757700000000 ] - [ -0.0001895600000000, 0.0024311100000000, -0.0051769900000000 ] - [ 0.0002916100000000, 0.0000000000000000, 0.0005022700000000 ] - [ 0.0000520300000000, 0.0000000000000000, 0.0000102500000000 ] - [ 0.0007523300000000, 0.0000833100000000, -0.0006595800000000 ] - [ -0.0079436200000000, 0.0000000000000000, 0.0049705700000000 ] - [ -0.0014482400000000, 0.0000040400000000, 0.0033105500000000 ] - [ 0.0007523300000000, -0.0000833100000000, -0.0006595800000000 ] - [ 0.0059662500000000, 0.0000000000000000, 0.0033165400000000 ] - [ 0.0386234800000000, 0.0231491400000000, -0.0154599000000000 ] - [ 0.0167081200000000, 0.0000000000000000, -0.0079931900000000 ] - [ 0.0094233200000000, 0.0000000000000000, 0.0002404300000000 ] - [ 0.0087937200000000, 0.0000000000000000, 0.0004334500000000 ] - [ 0.0213638800000000, 0.0007078600000000, 0.0048571400000000 ] - [ 0.0386234800000000, -0.0231491400000000, -0.0154599000000000 ] - [ 0.0790810600000000, 0.0000000000000000, 0.0343097800000000 ] - [ 0.0213638800000000, -0.0007078600000000, 0.0048571400000000 ] - [ 0.0051101200000000, 0.0000000000000000, 0.0043084300000000 ] - [ -0.0078764300000000, 0.0000000000000000, 0.0055515000000000 ] - [ -0.0030634500000000, -0.0018371100000000, -0.0048617300000000 ] - [ -0.0012753500000000, 0.0009130100000000, 0.0031944200000000 ] - [ 0.0007572400000000, -0.0000581500000000, 0.0001867300000000 ] - [ 0.0001004100000000, 0.0000000000000000, -0.0003793700000000 ] - [ -0.0006376200000000, -0.0000872300000000, 0.0002704100000000 ] - [ -0.0001280200000000, 0.0000000000000000, -0.0001814800000000 ] - [ -0.0001485000000000, -0.0001253600000000, -0.0002879200000000 ] - [ -0.0003854400000000, 0.0000000000000000, 0.0001932000000000 ] - [ -0.0000967800000000, 0.0000000000000000, 0.0011691500000000 ] - [ 0.0000840400000000, -0.0000488800000000, 0.0000346100000000 ] - [ -0.0004785300000000, 0.0000000000000000, -0.0003645700000000 ] - [ -0.0001485000000000, 0.0001253600000000, -0.0002879200000000 ] - [ -0.0000286800000000, 0.0000000000000000, -0.0002115400000000 ] - [ 0.0000840400000000, 0.0000488800000000, 0.0000346100000000 ] - [ -0.0002349600000000, 0.0000586000000000, -0.0002436500000000 ] - [ 0.0001330200000000, 0.0000000000000000, -0.0000850900000000 ] - [ 0.0003168800000000, 0.0000000000000000, 0.0001233700000000 ] - [ -0.0002349600000000, -0.0000586000000000, -0.0002436500000000 ] - [ -0.0000541400000000, -0.0001411700000000, 0.0000757700000000 ] - [ 0.0001857200000000, 0.0000000000000000, 0.0007403400000000 ] - [ -0.0002661100000000, 0.0000000000000000, -0.0001480800000000 ] - [ -0.0000461000000000, 0.0001542500000000, -0.0000224900000000 ] - [ -0.0014482400000000, -0.0000040400000000, 0.0033105500000000 ] - [ 0.0000106300000000, 0.0000000000000000, -0.0015686000000000 ] - [ 0.0003500500000000, 0.0000000000000000, -0.0004429500000000 ] - [ -0.0006845900000000, -0.0000177600000000, -0.0000538100000000 ] - [ 0.0048497700000000, 0.0000000000000000, -0.0046102500000000 ] - [ -0.0001895600000000, -0.0024311100000000, -0.0051769900000000 ] - [ -0.0006845900000000, 0.0000177600000000, -0.0000538100000000 ] - [ -0.0037046300000000, 0.0000000000000000, 0.0007076200000000 ] - [ -0.0061964700000000, -0.0005640600000000, -0.0003874800000000 ] - [ -0.0060945500000000, 0.0000000000000000, 0.0014057100000000 ] - [ -0.0030200600000000, 0.0000000000000000, -0.0005312100000000 ] - [ -0.0030454200000000, 0.0000000000000000, 0.0002965700000000 ] - [ -0.0072485300000000, 0.0024364000000000, -0.0004064800000000 ] - [ -0.0061964700000000, 0.0005640600000000, -0.0003874800000000 ] - [ -0.0051341800000000, 0.0000000000000000, 0.0021006900000000 ] - [ -0.0072485300000000, -0.0024364000000000, -0.0004064800000000 ] - [ -0.0040858300000000, 0.0000000000000000, 0.0016523300000000 ] - [ 0.0042105800000000, 0.0000000000000000, -0.0055051100000000 ] - [ -0.0012753500000000, -0.0009130100000000, 0.0031944200000000 ] - [ -0.0030634500000000, 0.0018371100000000, -0.0048617300000000 ]- atom: 20 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0013572600000000, 0.0000000000000000, 0.0000290300000000 ] - [ -0.0008664300000000, 0.0000000000000000, -0.0004769200000000 ] - [ -0.0002575100000000, 0.0002196600000000, 0.0005789700000000 ] - [ -0.0002129100000000, 0.0000000000000000, -0.0002708300000000 ] - [ 0.0005940900000000, -0.0000128900000000, -0.0007626500000000 ] - [ -0.0000052000000000, 0.0000066800000000, 0.0000045500000000 ] - [ -0.0000536300000000, 0.0000000000000000, -0.0000562700000000 ] - [ -0.0000052000000000, -0.0000066800000000, 0.0000045500000000 ] - [ -0.0003813900000000, 0.0000000000000000, 0.0000026900000000 ] - [ 0.0000011900000000, 0.0000000000000000, -0.0001524800000000 ] - [ 0.0004092100000000, -0.0002521700000000, -0.0009588300000000 ] - [ -0.0070787600000000, 0.0000000000000000, 0.0242988600000000 ] - [ 0.0002132900000000, 0.0000000000000000, 0.0000118000000000 ] - [ -0.0015399000000000, 0.0000000000000000, 0.0017227200000000 ] - [ 0.0004092100000000, 0.0002521700000000, -0.0009588300000000 ] - [ -0.0004295800000000, 0.0000000000000000, -0.0000590600000000 ] - [ 0.0225562800000000, -0.0138424600000000, -0.0128438100000000 ] - [ -0.0079343100000000, 0.0000000000000000, 0.0258117900000000 ] - [ -0.0069846900000000, 0.0021638900000000, 0.0031279200000000 ] - [ 0.2055011900000000, 0.0000000000000000, -0.0002947600000000 ] - [ 0.0225562800000000, 0.0138424600000000, -0.0128438100000000 ] - [ 0.0221163100000000, -0.0148822300000000, -0.0140080600000000 ] - [ -0.0277561000000000, 0.0000000000000000, 0.0000588100000000 ] - [ 0.0000919700000000, 0.0000000000000000, 0.0035360500000000 ] - [ 0.0010158600000000, 0.0000000000000000, 0.0005641500000000 ] - [ 0.0006543200000000, 0.0000000000000000, -0.0000596600000000 ] - [ 0.0005940900000000, 0.0000128900000000, -0.0007626500000000 ] - [ -0.0000218300000000, 0.0000000000000000, -0.0004354300000000 ] - [ -0.0002575100000000, -0.0002196600000000, 0.0005789700000000 ] - [ -0.0000271300000000, 0.0000070800000000, 0.0000140200000000 ] - [ -0.0001136300000000, 0.0000000000000000, 0.0002274200000000 ] - [ -0.0000271300000000, -0.0000070800000000, 0.0000140200000000 ] - [ 0.0001353700000000, 0.0000000000000000, 0.0001214200000000 ] - [ 0.0000254700000000, 0.0000000000000000, 0.0001113200000000 ] - [ -0.0000376500000000, -0.0000484700000000, 0.0001496500000000 ] - [ -0.0049224100000000, 0.0000000000000000, -0.0027138600000000 ] - [ 0.0003830000000000, 0.0000000000000000, -0.0002322900000000 ] - [ 0.0040261400000000, 0.0000000000000000, -0.0023672500000000 ] - [ -0.0000376500000000, 0.0000484700000000, 0.0001496500000000 ] - [ 0.0010460200000000, 0.0000000000000000, -0.0001094800000000 ] - [ -0.0070512800000000, -0.0018822900000000, 0.0019417100000000 ] - [ -0.0059499800000000, 0.0000000000000000, -0.0012885800000000 ] - [ 0.0221163100000000, 0.0148822300000000, -0.0140080600000000 ] - [ -0.0078988800000000, 0.0000000000000000, 0.0019444600000000 ] - [ -0.0070512800000000, 0.0018822900000000, 0.0019417100000000 ] - [ -0.0069846900000000, -0.0021638900000000, 0.0031279200000000 ] - [ -0.0071487400000000, 0.0000000000000000, 0.0003256900000000 ] - [ -0.0040525100000000, 0.0000000000000000, -0.0038599500000000 ] - [ 0.0000631800000000, 0.0000000000000000, -0.0001928000000000 ] - [ -0.0023412400000000, 0.0000000000000000, -0.0028133100000000 ] - [ -0.0032176600000000, 0.0000000000000000, 0.0031584600000000 ] - [ 0.0008771600000000, 0.0000000000000000, -0.0000926100000000 ] - [ -0.0002549200000000, 0.0000000000000000, -0.0002284800000000 ] - [ 0.0001693200000000, 0.0000000000000000, 0.0027993300000000 ] - [ -0.0183157200000000, 0.0000000000000000, -0.0022132100000000 ] - [ -0.0011991800000000, 0.0000000000000000, -0.0004334100000000 ] - [ 0.0006207600000000, -0.0000133500000000, -0.0000551900000000 ] - [ 0.0000314300000000, 0.0000000000000000, -0.0003834400000000 ] - [ -0.0007711500000000, -0.0001324900000000, 0.0000346100000000 ] - [ -0.0001799700000000, 0.0000000000000000, 0.0002911600000000 ] - [ -0.0001547000000000, -0.0001237200000000, -0.0002944300000000 ] - [ -0.0004025700000000, 0.0000000000000000, 0.0001238700000000 ] - [ 0.0001996300000000, 0.0000000000000000, 0.0011634100000000 ] - [ 0.0001120600000000, -0.0000210700000000, 0.0000652200000000 ] - [ -0.0004780800000000, 0.0000000000000000, -0.0003693700000000 ] - [ -0.0001547000000000, 0.0001237200000000, -0.0002944300000000 ] - [ -0.0000275400000000, 0.0000000000000000, -0.0002066700000000 ] - [ 0.0001120600000000, 0.0000210700000000, 0.0000652200000000 ] - [ -0.0002154500000000, 0.0000334800000000, -0.0002218600000000 ] - [ 0.0001338800000000, 0.0000000000000000, -0.0000849200000000 ] - [ 0.0003200300000000, 0.0000000000000000, 0.0001175000000000 ] - [ -0.0002154500000000, -0.0000334800000000, -0.0002218600000000 ] - [ -0.0000588100000000, -0.0001436700000000, 0.0000664800000000 ] - [ 0.0003024700000000, 0.0000000000000000, 0.0007382600000000 ] - [ -0.0002922700000000, 0.0000000000000000, -0.0002105400000000 ] - [ -0.0000506200000000, 0.0001567500000000, -0.0000318500000000 ] - [ 0.0001437800000000, -0.0025152400000000, 0.0054839000000000 ] - [ -0.0000247900000000, 0.0000000000000000, -0.0009880700000000 ] - [ 0.0002899400000000, 0.0000000000000000, -0.0004480000000000 ] - [ -0.0009324500000000, -0.0001451800000000, -0.0003581800000000 ] - [ 0.0081325700000000, 0.0000000000000000, -0.0046049200000000 ] - [ 0.0014273300000000, 0.0000733500000000, -0.0030100100000000 ] - [ -0.0009324500000000, 0.0001451800000000, -0.0003581800000000 ] - [ -0.0063723900000000, 0.0000000000000000, -0.0037251800000000 ] - [ -0.0386005400000000, -0.0233140300000000, 0.0163271000000000 ] - [ -0.0173837300000000, 0.0000000000000000, 0.0072990300000000 ] - [ -0.0093264400000000, 0.0000000000000000, -0.0005141900000000 ] - [ -0.0088626200000000, 0.0000000000000000, 0.0003098300000000 ] - [ -0.0211621700000000, -0.0005370400000000, -0.0041303300000000 ] - [ -0.0386005400000000, 0.0233140300000000, 0.0163271000000000 ] - [ -0.0755968200000000, 0.0000000000000000, -0.0301555900000000 ] - [ -0.0211621700000000, 0.0005370400000000, -0.0041303300000000 ] - [ -0.0049810700000000, 0.0000000000000000, -0.0036044400000000 ] - [ 0.0083109900000000, 0.0000000000000000, -0.0055302300000000 ] - [ 0.0029378500000000, 0.0021022300000000, 0.0058330200000000 ] - [ 0.0011079100000000, -0.0011708200000000, -0.0022334900000000 ] - [ -0.0007711500000000, 0.0001324900000000, 0.0000346100000000 ] - [ -0.0003035000000000, 0.0000000000000000, -0.0001410000000000 ] - [ 0.0006207600000000, 0.0000133500000000, -0.0000551900000000 ] - [ -0.0005595800000000, 0.0000000000000000, -0.0008387600000000 ] - [ -0.0001126500000000, -0.0001012900000000, -0.0003810700000000 ] - [ -0.0000042800000000, 0.0000000000000000, -0.0001721700000000 ] - [ -0.0003458500000000, 0.0000000000000000, -0.0012957900000000 ] - [ -0.0002540900000000, 0.0000649400000000, -0.0003625800000000 ] - [ -0.0004222100000000, 0.0000000000000000, -0.0003790000000000 ] - [ -0.0001126500000000, 0.0001012900000000, -0.0003810700000000 ] - [ -0.0001363300000000, 0.0000000000000000, -0.0002450700000000 ] - [ -0.0002540900000000, -0.0000649400000000, -0.0003625800000000 ] - [ 0.0001861200000000, 0.0000262800000000, 0.0001288200000000 ] - [ 0.0002621900000000, 0.0000000000000000, -0.0000809500000000 ] - [ 0.0002604100000000, 0.0000000000000000, 0.0000942800000000 ] - [ 0.0001861200000000, -0.0000262800000000, 0.0001288200000000 ] - [ -0.0000506200000000, -0.0001567500000000, -0.0000318500000000 ] - [ -0.0002882400000000, 0.0000000000000000, -0.0006146300000000 ] - [ -0.0000981000000000, 0.0000000000000000, -0.0005377400000000 ] - [ -0.0000588100000000, 0.0001436700000000, 0.0000664800000000 ] - [ 0.0014273300000000, -0.0000733500000000, -0.0030100100000000 ] - [ 0.0002530600000000, 0.0000000000000000, 0.0010850200000000 ] - [ -0.0000091300000000, 0.0000000000000000, 0.0000049800000000 ] - [ 0.0005083800000000, -0.0000437100000000, -0.0009606200000000 ] - [ -0.0046587000000000, 0.0000000000000000, 0.0049250100000000 ] - [ 0.0001437800000000, 0.0025152400000000, 0.0054839000000000 ] - [ 0.0005083800000000, 0.0000437100000000, -0.0009606200000000 ] - [ 0.0033138000000000, 0.0000000000000000, -0.0010849700000000 ] - [ 0.0062413000000000, 0.0008813400000000, 0.0007785300000000 ] - [ 0.0069414500000000, 0.0000000000000000, -0.0011044000000000 ] - [ 0.0031515200000000, 0.0000000000000000, 0.0002680500000000 ] - [ 0.0029576600000000, 0.0000000000000000, 0.0004358000000000 ] - [ 0.0072354900000000, -0.0020674400000000, 0.0013316300000000 ] - [ 0.0062413000000000, -0.0008813400000000, 0.0007785300000000 ] - [ 0.0052549300000000, 0.0000000000000000, -0.0010041000000000 ] - [ 0.0072354900000000, 0.0020674400000000, 0.0013316300000000 ] - [ 0.0042147400000000, 0.0000000000000000, -0.0009953800000000 ] - [ -0.0037745300000000, 0.0000000000000000, 0.0055836800000000 ] - [ 0.0011079100000000, 0.0011708200000000, -0.0022334900000000 ] - [ 0.0029378500000000, -0.0021022300000000, 0.0058330200000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001457400000000, 0.0002174700000000, 0.0002955300000000 ] - [ -0.0000614000000000, -0.0001351500000000, -0.0003889400000000 ] - [ -0.0000027700000000, 0.0000385500000000, -0.0001863900000000 ] - [ -0.0001143900000000, 0.0000041900000000, -0.0003567000000000 ] - [ 0.0001511800000000, -0.0000379100000000, 0.0000205700000000 ] - [ -0.0000215600000000, 0.0000044400000000, 0.0000039700000000 ] - [ -0.0000991600000000, -0.0000149500000000, 0.0000819800000000 ] - [ -0.0000162000000000, -0.0000039300000000, 0.0000086300000000 ] - [ -0.0000984100000000, 0.0000245500000000, 0.0000604300000000 ] - [ -0.0000028100000000, -0.0000169000000000, -0.0000241400000000 ] - [ 0.0001599700000000, -0.0000717600000000, -0.0003293600000000 ] - [ 0.0000328600000000, -0.0235413400000000, -0.0001818000000000 ] - [ 0.0003028000000000, 0.0000043000000000, -0.0001131100000000 ] - [ 0.0000287000000000, -0.0018363300000000, -0.0003294200000000 ] - [ 0.0000361500000000, 0.0000759800000000, -0.0004118300000000 ] - [ 0.0003543400000000, -0.0001688700000000, -0.0001653400000000 ] - [ 0.0141364700000000, 0.0031270300000000, 0.0186351500000000 ] - [ -0.0001005800000000, -0.0242670000000000, 0.0002590600000000 ] - [ -0.0018977700000000, 0.0000288800000000, -0.0001710100000000 ] - [ 0.0013308900000000, -0.1957238700000000, -0.0007857400000000 ] - [ -0.0140579500000000, 0.0029496800000000, -0.0187409900000000 ] - [ 0.0149209800000000, 0.0040102300000000, 0.0206763900000000 ] - [ 0.0002312000000000, -0.0020481600000000, 0.0003753700000000 ] - [ 0.0000304800000000, 0.0035291300000000, -0.0001339000000000 ] - [ 0.0001423600000000, 0.0004151400000000, 0.0002951600000000 ] - [ -0.0000628400000000, -0.0001300500000000, -0.0003888600000000 ] - [ 0.0000083800000000, 0.0000411500000000, -0.0000923300000000 ] - [ -0.0001144700000000, 0.0000058200000000, -0.0003564400000000 ] - [ 0.0001628600000000, -0.0000405900000000, 0.0001123100000000 ] - [ -0.0000216500000000, 0.0000045000000000, 0.0000039100000000 ] - [ -0.0000992000000000, -0.0000150500000000, 0.0000817500000000 ] - [ -0.0000162200000000, -0.0000039200000000, 0.0000086100000000 ] - [ -0.0000988700000000, 0.0000247100000000, 0.0000603900000000 ] - [ -0.0000027400000000, -0.0000135200000000, -0.0000240800000000 ] - [ 0.0001909200000000, -0.0000719600000000, -0.0002776600000000 ] - [ 0.0000237900000000, -0.0008865200000000, -0.0002208500000000 ] - [ 0.0003028300000000, 0.0000056500000000, -0.0001132800000000 ] - [ 0.0000275500000000, -0.0005938500000000, -0.0003313900000000 ] - [ 0.0000056200000000, 0.0000756700000000, -0.0004629000000000 ] - [ 0.0003549000000000, -0.0000950100000000, -0.0001656100000000 ] - [ 0.0018009100000000, 0.0000395300000000, 0.0005403100000000 ] - [ -0.0000970000000000, -0.0008175200000000, 0.0003125900000000 ] - [ -0.0151181100000000, 0.0043407900000000, -0.0195814800000000 ] - [ 0.0002081700000000, -0.0003889100000000, 0.0005445300000000 ] - [ -0.0016826200000000, -0.0000439900000000, -0.0005333900000000 ] - [ 0.0016888400000000, -0.0002006100000000, 0.0011254900000000 ] - [ 0.0003004700000000, 0.0369554500000000, 0.0002828100000000 ] - [ 0.0000328300000000, 0.0004826500000000, -0.0001285400000000 ] - [ -0.0000839300000000, 0.0000071900000000, -0.0002127100000000 ] - [ 0.0000291200000000, 0.0002319400000000, 0.0000206600000000 ] - [ 0.0000501800000000, 0.0235323900000000, 0.0005769800000000 ] - [ -0.0000101300000000, 0.0001369200000000, -0.0002614900000000 ] - [ -0.0000839800000000, 0.0000109300000000, -0.0002123800000000 ] - [ 0.0000288900000000, 0.0019797400000000, 0.0000222300000000 ] - [ 0.0001168000000000, -0.0015626500000000, 0.0005094200000000 ] - [ -0.0000110300000000, 0.0001673600000000, -0.0002609300000000 ] - [ -0.0001190500000000, 0.0000673200000000, 0.0002937800000000 ] - [ -0.0001020900000000, 0.0000291200000000, -0.0002604300000000 ] - [ -0.0000723900000000, 0.0000150700000000, -0.0001193200000000 ] - [ -0.0003429500000000, 0.0000409800000000, -0.0005115700000000 ] - [ -0.0001308800000000, -0.0001139200000000, -0.0003299700000000 ] - [ -0.0001943800000000, -0.0000227600000000, 0.0000102200000000 ] - [ -0.0002203600000000, -0.0000633200000000, -0.0000655100000000 ] - [ -0.0001051300000000, 0.0000132200000000, -0.0001373100000000 ] - [ -0.0004507300000000, -0.0000003600000000, -0.0003714900000000 ] - [ -0.0001294300000000, 0.0001123200000000, -0.0003394400000000 ] - [ -0.0000825300000000, 0.0000018800000000, -0.0002288200000000 ] - [ -0.0000647200000000, -0.0000030600000000, -0.0001920800000000 ] - [ -0.0000201200000000, 0.0000478000000000, -0.0000797000000000 ] - [ 0.0001971900000000, 0.0000014300000000, -0.0000827200000000 ] - [ 0.0002887200000000, -0.0000016900000000, 0.0001090800000000 ] - [ -0.0000290400000000, -0.0000369300000000, -0.0000345000000000 ] - [ -0.0000511600000000, -0.0001493400000000, 0.0000180700000000 ] - [ -0.0000515600000000, -0.0000159200000000, 0.0000644000000000 ] - [ -0.0001822500000000, -0.0000122800000000, -0.0003424300000000 ] - [ -0.0000525500000000, 0.0001482700000000, 0.0000258900000000 ] - [ -0.0002063400000000, 0.0002583600000000, -0.0006155500000000 ] - [ 0.0001326400000000, 0.0002444600000000, -0.0002425000000000 ] - [ 0.0001707600000000, 0.0000364100000000, -0.0002190900000000 ] - [ -0.0001164000000000, -0.0000083700000000, -0.0007029700000000 ] - [ 0.0001053100000000, 0.0037494900000000, 0.0001500200000000 ] - [ -0.0026968400000000, 0.0010035200000000, 0.0031757700000000 ] - [ -0.0000620700000000, 0.0000533200000000, -0.0003114400000000 ] - [ -0.0002047200000000, -0.0035744900000000, -0.0001977200000000 ] - [ 0.0219200700000000, 0.0574964700000000, -0.0270957800000000 ] - [ 0.0004561600000000, 0.0188550300000000, 0.0001842200000000 ] - [ 0.0000792400000000, 0.0064313800000000, -0.0001301000000000 ] - [ -0.0000544700000000, 0.0061505500000000, 0.0003648600000000 ] - [ 0.0031294600000000, 0.0103446100000000, -0.0063641000000000 ] - [ -0.0232584800000000, 0.0591167100000000, 0.0296485800000000 ] - [ -0.0002016900000000, 0.0212746100000000, 0.0003572200000000 ] - [ -0.0026941300000000, 0.0109402500000000, 0.0066096900000000 ] - [ 0.0000757000000000, -0.0061877200000000, 0.0003405000000000 ] - [ 0.0002013100000000, 0.0038441900000000, 0.0000457600000000 ] - [ 0.0002977100000000, 0.0004043500000000, 0.0014776100000000 ] - [ 0.0032686400000000, -0.0011807500000000, -0.0030790000000000 ] - [ 0.0000581700000000, 0.0000892100000000, 0.0003352800000000 ] - [ -0.0001019600000000, 0.0000405800000000, -0.0002608800000000 ] - [ 0.0001024700000000, -0.0000072200000000, -0.0000767400000000 ] - [ -0.0003427800000000, 0.0001206300000000, -0.0005103800000000 ] - [ -0.0001311100000000, -0.0001137800000000, -0.0003306800000000 ] - [ -0.0001945500000000, -0.0000185700000000, 0.0000105300000000 ] - [ -0.0002190400000000, -0.0002421700000000, -0.0000635300000000 ] - [ -0.0000921400000000, 0.0000091100000000, -0.0001332900000000 ] - [ -0.0004507400000000, -0.0000006300000000, -0.0003714600000000 ] - [ -0.0001290400000000, 0.0001123800000000, -0.0003385800000000 ] - [ -0.0000823700000000, 0.0000020100000000, -0.0002288400000000 ] - [ -0.0000768500000000, -0.0000069400000000, -0.0001955200000000 ] - [ -0.0000030000000000, 0.0000500900000000, -0.0000839400000000 ] - [ 0.0001973000000000, 0.0000017900000000, -0.0000825900000000 ] - [ 0.0002887700000000, -0.0000020500000000, 0.0001091100000000 ] - [ -0.0000459100000000, -0.0000347000000000, -0.0000301800000000 ] - [ -0.0000519600000000, -0.0001489200000000, 0.0000189600000000 ] - [ -0.0000521900000000, -0.0001115900000000, 0.0000640300000000 ] - [ -0.0001822600000000, -0.0000188900000000, -0.0003425100000000 ] - [ -0.0000532500000000, 0.0001479300000000, 0.0000268600000000 ] - [ 0.0026535500000000, 0.0009207800000000, -0.0028732100000000 ] - [ 0.0001328500000000, 0.0000749600000000, -0.0002421800000000 ] - [ 0.0001707300000000, 0.0000256400000000, -0.0002186600000000 ] - [ 0.0000612900000000, 0.0000508000000000, -0.0008219200000000 ] - [ 0.0001396500000000, -0.0071790200000000, 0.0001904100000000 ] - [ 0.0001682400000000, 0.0003258700000000, 0.0009249600000000 ] - [ -0.0002395600000000, 0.0001125000000000, -0.0001937600000000 ] - [ -0.0001932200000000, 0.0004655400000000, -0.0001993000000000 ] - [ -0.0000176900000000, 0.0002109800000000, 0.0001258800000000 ] - [ 0.0004102000000000, -0.0031246700000000, 0.0001536000000000 ] - [ 0.0000639900000000, -0.0001382600000000, -0.0001352700000000 ] - [ -0.0000458700000000, -0.0002969300000000, 0.0003704100000000 ] - [ -0.0001587600000000, 0.0003436700000000, 0.0006095300000000 ] - [ 0.0000509300000000, -0.0001248500000000, 0.0002764500000000 ] - [ 0.0000670500000000, -0.0019297400000000, 0.0005480600000000 ] - [ 0.0001442900000000, -0.0000442900000000, 0.0003002000000000 ] - [ 0.0000541300000000, 0.0002138800000000, 0.0003386900000000 ] - [ 0.0001715700000000, -0.0080289500000000, 0.0000016800000000 ] - [ -0.0034215000000000, -0.0009285200000000, 0.0040552500000000 ] - [ -0.0004372700000000, 0.0001304900000000, -0.0005197900000000 ]- atom: 20 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0004205300000000, 0.0000000000000000, 0.0021492500000000 ] - [ 0.0000962300000000, 0.0000000000000000, 0.0025549700000000 ] - [ -0.0006562900000000, -0.0001519300000000, 0.0035231800000000 ] - [ -0.0002362700000000, 0.0000000000000000, 0.0031418400000000 ] - [ 0.0009506000000000, -0.0000039200000000, 0.0035770100000000 ] - [ 0.0002946200000000, 0.0000197200000000, 0.0042229700000000 ] - [ 0.0002378900000000, 0.0000000000000000, 0.0040278600000000 ] - [ 0.0002946200000000, -0.0000197200000000, 0.0042229700000000 ] - [ -0.0002241100000000, 0.0000000000000000, 0.0037069300000000 ] - [ 0.0002514500000000, 0.0000000000000000, 0.0042480200000000 ] - [ 0.0007566900000000, 0.0002123500000000, 0.0034206400000000 ] - [ -0.0220774400000000, 0.0000000000000000, 0.0155755900000000 ] - [ 0.0001948000000000, 0.0000000000000000, 0.0036077500000000 ] - [ -0.0015563500000000, 0.0000000000000000, 0.0029491600000000 ] - [ 0.0007566900000000, -0.0002123500000000, 0.0034206400000000 ] - [ 0.0004422400000000, 0.0000000000000000, 0.0030014300000000 ] - [ 0.0087977200000000, 0.0184557500000000, 0.0205373400000000 ] - [ -0.0252906100000000, 0.0000000000000000, 0.0185882600000000 ] - [ -0.0023729800000000, -0.0000096200000000, -0.0036189200000000 ] - [ -0.0301168400000000, 0.0000000000000000, -0.2817456600000000 ] - [ 0.0087977200000000, -0.0184557500000000, 0.0205373400000000 ] - [ 0.0107743800000000, 0.0212568500000000, 0.0243814500000000 ] - [ 0.0150952000000000, 0.0000000000000000, -0.0208644100000000 ] - [ -0.0034091900000000, 0.0000000000000000, 0.0052863400000000 ] - [ -0.0000595000000000, 0.0000000000000000, 0.0080684200000000 ] - [ -0.0004852800000000, 0.0000000000000000, 0.0037494500000000 ] - [ 0.0009506000000000, 0.0000039200000000, 0.0035770100000000 ] - [ -0.0001351100000000, 0.0000000000000000, 0.0033517600000000 ] - [ -0.0006562900000000, 0.0001519300000000, 0.0035231800000000 ] - [ 0.0002847100000000, 0.0000274600000000, 0.0042566300000000 ] - [ -0.0001050000000000, 0.0000000000000000, 0.0041302700000000 ] - [ 0.0002847100000000, -0.0000274600000000, 0.0042566300000000 ] - [ -0.0002738900000000, 0.0000000000000000, 0.0041259900000000 ] - [ 0.0000079100000000, 0.0000000000000000, 0.0042621200000000 ] - [ -0.0002662000000000, 0.0001511600000000, 0.0031638300000000 ] - [ 0.0050479100000000, 0.0000000000000000, -0.0031257600000000 ] - [ 0.0002457600000000, 0.0000000000000000, 0.0038173700000000 ] - [ 0.0012581100000000, 0.0000000000000000, 0.0050695100000000 ] - [ -0.0002662000000000, -0.0001511600000000, 0.0031638300000000 ] - [ -0.0003059700000000, 0.0000000000000000, 0.0038916400000000 ] - [ -0.0015819800000000, 0.0003013300000000, -0.0028537800000000 ] - [ 0.0051456300000000, 0.0000000000000000, -0.0034869900000000 ] - [ 0.0107743800000000, -0.0212568500000000, 0.0243814500000000 ] - [ -0.0000195500000000, 0.0000000000000000, -0.0158991100000000 ] - [ -0.0015819800000000, -0.0003013300000000, -0.0028537800000000 ] - [ -0.0023729800000000, 0.0000096200000000, -0.0036189200000000 ] - [ -0.0095235300000000, 0.0000000000000000, -0.0314400900000000 ] - [ 0.0040594400000000, 0.0000000000000000, 0.0038042800000000 ] - [ -0.0002191900000000, 0.0000000000000000, 0.0025819400000000 ] - [ 0.0024128600000000, 0.0000000000000000, 0.0028583000000000 ] - [ -0.0057252100000000, 0.0000000000000000, -0.0165406900000000 ] - [ -0.0002939800000000, 0.0000000000000000, 0.0047502400000000 ] - [ -0.0001283100000000, 0.0000000000000000, 0.0024262200000000 ] - [ -0.0020233000000000, 0.0000000000000000, 0.0037842300000000 ] - [ 0.0092656800000000, 0.0000000000000000, -0.0110683800000000 ] - [ 0.0003090800000000, 0.0000000000000000, 0.0013522400000000 ] - [ 0.0001485800000000, -0.0002364000000000, -0.0014577800000000 ] - [ 0.0001389700000000, 0.0000000000000000, -0.0030512200000000 ] - [ -0.0007435000000000, 0.0007918700000000, -0.0031057000000000 ] - [ -0.0005678800000000, 0.0000000000000000, -0.0024038000000000 ] - [ -0.0005164700000000, 0.0000662800000000, -0.0026928500000000 ] - [ -0.0003199400000000, 0.0000000000000000, -0.0026337200000000 ] - [ -0.0009013900000000, 0.0000000000000000, -0.0027146000000000 ] - [ -0.0002403400000000, 0.0001446500000000, -0.0025802200000000 ] - [ -0.0002429500000000, 0.0000000000000000, -0.0029517800000000 ] - [ -0.0005164700000000, -0.0000662800000000, -0.0026928500000000 ] - [ 0.0000582500000000, 0.0000000000000000, -0.0027594000000000 ] - [ -0.0002403400000000, -0.0001446500000000, -0.0025802200000000 ] - [ 0.0001273100000000, 0.0000207900000000, -0.0026925400000000 ] - [ 0.0003416500000000, 0.0000000000000000, -0.0027733000000000 ] - [ 0.0005940900000000, 0.0000000000000000, -0.0026845100000000 ] - [ 0.0001273100000000, -0.0000207900000000, -0.0026925400000000 ] - [ -0.0004673000000000, -0.0003592600000000, -0.0024623700000000 ] - [ -0.0005773000000000, 0.0000000000000000, -0.0023708400000000 ] - [ -0.0003145800000000, 0.0000000000000000, -0.0029558100000000 ] - [ -0.0003792400000000, 0.0003768400000000, -0.0023987900000000 ] - [ -0.0027891800000000, 0.0019652700000000, -0.0024344900000000 ] - [ 0.0009056700000000, 0.0000000000000000, -0.0030280700000000 ] - [ 0.0002735000000000, 0.0000000000000000, -0.0031317400000000 ] - [ -0.0004365400000000, 0.0001400600000000, -0.0038613400000000 ] - [ 0.0040366600000000, 0.0000000000000000, 0.0067500800000000 ] - [ 0.0035254400000000, -0.0000823700000000, -0.0012702900000000 ] - [ -0.0004365400000000, -0.0001400600000000, -0.0038613400000000 ] - [ -0.0019911900000000, 0.0000000000000000, -0.0038495200000000 ] - [ -0.0112772900000000, -0.0276803100000000, 0.0480762200000000 ] - [ -0.0040763100000000, 0.0000000000000000, 0.0224404600000000 ] - [ 0.0013402200000000, 0.0000000000000000, -0.0084357200000000 ] - [ 0.0010698500000000, 0.0000000000000000, -0.0094728400000000 ] - [ 0.0065938000000000, -0.0027189400000000, 0.0242106700000000 ] - [ -0.0112772900000000, 0.0276803100000000, 0.0480762200000000 ] - [ 0.0460840900000000, 0.0000000000000000, 0.0564094000000000 ] - [ 0.0065938000000000, 0.0027189400000000, 0.0242106700000000 ] - [ -0.0003656600000000, 0.0000000000000000, -0.0036365300000000 ] - [ 0.0045433400000000, 0.0000000000000000, 0.0103198700000000 ] - [ -0.0045481600000000, -0.0021326600000000, -0.0021730400000000 ] - [ 0.0045525400000000, -0.0006009000000000, -0.0006834100000000 ] - [ -0.0007435000000000, -0.0007918700000000, -0.0031057000000000 ] - [ -0.0004154700000000, 0.0000000000000000, -0.0034411400000000 ] - [ 0.0001485800000000, 0.0002364000000000, -0.0014577800000000 ] - [ 0.0011199000000000, 0.0000000000000000, -0.0035206400000000 ] - [ -0.0003968300000000, 0.0000839800000000, -0.0026543600000000 ] - [ 0.0001759400000000, 0.0000000000000000, -0.0023465500000000 ] - [ 0.0003921900000000, 0.0000000000000000, -0.0032208100000000 ] - [ 0.0000300900000000, 0.0000955600000000, -0.0028977000000000 ] - [ -0.0002560200000000, 0.0000000000000000, -0.0029255800000000 ] - [ -0.0003968300000000, -0.0000839800000000, -0.0026543600000000 ] - [ 0.0000583800000000, 0.0000000000000000, -0.0028542800000000 ] - [ 0.0000300900000000, -0.0000955600000000, -0.0028977000000000 ] - [ -0.0001515400000000, 0.0000168600000000, -0.0025465600000000 ] - [ 0.0003157600000000, 0.0000000000000000, -0.0027231200000000 ] - [ 0.0006160100000000, 0.0000000000000000, -0.0027764900000000 ] - [ -0.0001515400000000, -0.0000168600000000, -0.0025465600000000 ] - [ -0.0003792400000000, -0.0003768400000000, -0.0023987900000000 ] - [ 0.0004160100000000, 0.0000000000000000, -0.0025665200000000 ] - [ 0.0000120300000000, 0.0000000000000000, -0.0027348200000000 ] - [ -0.0004673000000000, 0.0003592600000000, -0.0024623700000000 ] - [ 0.0035254400000000, 0.0000823700000000, -0.0012702900000000 ] - [ -0.0004629700000000, 0.0000000000000000, -0.0029008800000000 ] - [ 0.0000037300000000, 0.0000000000000000, -0.0035535300000000 ] - [ 0.0002195100000000, -0.0000231400000000, -0.0024678900000000 ] - [ -0.0042990600000000, 0.0000000000000000, 0.0072428000000000 ] - [ -0.0027891800000000, -0.0019652700000000, -0.0024344900000000 ] - [ 0.0002195100000000, 0.0000231400000000, -0.0024678900000000 ] - [ -0.0000498800000000, 0.0000000000000000, 0.0003964500000000 ] - [ -0.0024859600000000, -0.0006221500000000, 0.0060695200000000 ] - [ 0.0053497400000000, 0.0000000000000000, 0.0067802900000000 ] - [ -0.0002889300000000, 0.0000000000000000, 0.0009853000000000 ] - [ -0.0003079800000000, 0.0000000000000000, 0.0016582700000000 ] - [ -0.0036933700000000, 0.0018171000000000, 0.0064776100000000 ] - [ -0.0024859600000000, 0.0006221500000000, 0.0060695200000000 ] - [ 0.0028570900000000, 0.0000000000000000, 0.0068777100000000 ] - [ -0.0036933700000000, -0.0018171000000000, 0.0064776100000000 ] - [ -0.0009558200000000, 0.0000000000000000, 0.0016518700000000 ] - [ -0.0046974400000000, 0.0000000000000000, 0.0120848300000000 ] - [ 0.0045525400000000, 0.0006009000000000, -0.0006834100000000 ] - [ -0.0045481600000000, 0.0021326600000000, -0.0021730400000000 ]- atom: 20 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0001301100000000, 0.0000000000000000, -0.0015661800000000 ] - [ -0.0002192900000000, 0.0000000000000000, -0.0033328200000000 ] - [ 0.0008125500000000, 0.0002289200000000, -0.0035944700000000 ] - [ 0.0000055800000000, 0.0000000000000000, -0.0038539800000000 ] - [ -0.0007863000000000, -0.0000753600000000, -0.0036476600000000 ] - [ -0.0003322400000000, -0.0000111900000000, -0.0042086300000000 ] - [ -0.0004353400000000, 0.0000000000000000, -0.0038617300000000 ] - [ -0.0003322400000000, 0.0000111900000000, -0.0042086300000000 ] - [ 0.0000270500000000, 0.0000000000000000, -0.0035865000000000 ] - [ -0.0002584000000000, 0.0000000000000000, -0.0042931000000000 ] - [ -0.0005627000000000, -0.0003596700000000, -0.0041601400000000 ] - [ 0.0223906300000000, 0.0000000000000000, -0.0160758900000000 ] - [ 0.0004119700000000, 0.0000000000000000, -0.0038295700000000 ] - [ 0.0016175100000000, 0.0000000000000000, -0.0035935200000000 ] - [ -0.0005627000000000, 0.0003596700000000, -0.0041601400000000 ] - [ 0.0002643700000000, 0.0000000000000000, -0.0033281300000000 ] - [ -0.0087831000000000, -0.0186340400000000, -0.0207409300000000 ] - [ 0.0247920200000000, 0.0000000000000000, -0.0178930000000000 ] - [ 0.0021577100000000, 0.0002436900000000, 0.0045550300000000 ] - [ 0.0297394100000000, 0.0000000000000000, 0.2812592100000000 ] - [ -0.0087831000000000, 0.0186340400000000, -0.0207409300000000 ] - [ -0.0108598000000000, -0.0211891300000000, -0.0231860200000000 ] - [ -0.0146804800000000, 0.0000000000000000, 0.0216342700000000 ] - [ 0.0034650300000000, 0.0000000000000000, -0.0055524400000000 ] - [ 0.0003475400000000, 0.0000000000000000, -0.0074460900000000 ] - [ 0.0003580900000000, 0.0000000000000000, -0.0045232800000000 ] - [ -0.0007863000000000, 0.0000753600000000, -0.0036476600000000 ] - [ -0.0000951600000000, 0.0000000000000000, -0.0040628500000000 ] - [ 0.0008125500000000, -0.0002289200000000, -0.0035944700000000 ] - [ -0.0003228300000000, -0.0000188700000000, -0.0042420100000000 ] - [ -0.0000942400000000, 0.0000000000000000, -0.0039636800000000 ] - [ -0.0003228300000000, 0.0000188700000000, -0.0042420100000000 ] - [ 0.0000765100000000, 0.0000000000000000, -0.0040035100000000 ] - [ -0.0000135400000000, 0.0000000000000000, -0.0043074100000000 ] - [ 0.0004656200000000, -0.0002992500000000, -0.0039021500000000 ] - [ -0.0049627800000000, 0.0000000000000000, 0.0027172900000000 ] - [ 0.0003610100000000, 0.0000000000000000, -0.0040402800000000 ] - [ -0.0012039500000000, 0.0000000000000000, -0.0057195300000000 ] - [ 0.0004656200000000, 0.0002992500000000, -0.0039021500000000 ] - [ 0.0010170300000000, 0.0000000000000000, -0.0042221500000000 ] - [ 0.0016927200000000, -0.0002187700000000, 0.0028715100000000 ] - [ -0.0053802800000000, 0.0000000000000000, 0.0040616700000000 ] - [ -0.0108598000000000, 0.0211891300000000, -0.0231860200000000 ] - [ 0.0004320700000000, 0.0000000000000000, 0.0169823500000000 ] - [ 0.0016927200000000, 0.0002187700000000, 0.0028715100000000 ] - [ 0.0021577100000000, -0.0002436900000000, 0.0045550300000000 ] - [ 0.0098508600000000, 0.0000000000000000, 0.0321850200000000 ] - [ -0.0039856400000000, 0.0000000000000000, -0.0040637700000000 ] - [ 0.0000512900000000, 0.0000000000000000, -0.0030044400000000 ] - [ -0.0023615800000000, 0.0000000000000000, -0.0028132800000000 ] - [ 0.0060304900000000, 0.0000000000000000, 0.0175457800000000 ] - [ 0.0002731000000000, 0.0000000000000000, -0.0052945600000000 ] - [ -0.0000399900000000, 0.0000000000000000, -0.0028481600000000 ] - [ 0.0020856900000000, 0.0000000000000000, -0.0037317400000000 ] - [ -0.0090202700000000, 0.0000000000000000, 0.0120691800000000 ] - [ -0.0003326400000000, 0.0000000000000000, -0.0018691300000000 ] - [ -0.0001632900000000, 0.0003109800000000, 0.0016694000000000 ] - [ -0.0003417900000000, 0.0000000000000000, 0.0025311200000000 ] - [ 0.0007252900000000, -0.0008618100000000, 0.0033090100000000 ] - [ -0.0001191900000000, 0.0000000000000000, 0.0013764100000000 ] - [ 0.0002536000000000, -0.0002936700000000, 0.0020249000000000 ] - [ -0.0000747100000000, 0.0000000000000000, 0.0026508100000000 ] - [ 0.0004591000000000, 0.0000000000000000, 0.0025768600000000 ] - [ 0.0000727000000000, -0.0001323200000000, 0.0022504500000000 ] - [ -0.0006629100000000, 0.0000000000000000, 0.0022114500000000 ] - [ 0.0002536000000000, 0.0002936700000000, 0.0020249000000000 ] - [ -0.0002176300000000, 0.0000000000000000, 0.0023021600000000 ] - [ 0.0000727000000000, 0.0001323200000000, 0.0022504500000000 ] - [ -0.0001776100000000, 0.0000622100000000, 0.0025770300000000 ] - [ 0.0000520400000000, 0.0000000000000000, 0.0026137100000000 ] - [ -0.0000155700000000, 0.0000000000000000, 0.0029027400000000 ] - [ -0.0001776100000000, -0.0000622100000000, 0.0025770300000000 ] - [ 0.0003634800000000, 0.0000612500000000, 0.0025092200000000 ] - [ 0.0004759500000000, 0.0000000000000000, 0.0024938000000000 ] - [ -0.0000471600000000, 0.0000000000000000, 0.0022699900000000 ] - [ 0.0002750300000000, -0.0000790500000000, 0.0024455400000000 ] - [ 0.0027590800000000, -0.0020515800000000, 0.0027265400000000 ] - [ -0.0006473400000000, 0.0000000000000000, 0.0025403100000000 ] - [ 0.0000680100000000, 0.0000000000000000, 0.0026867600000000 ] - [ 0.0002615900000000, -0.0002068800000000, 0.0028444300000000 ] - [ -0.0038092500000000, 0.0000000000000000, -0.0064438600000000 ] - [ -0.0035690100000000, 0.0001606600000000, 0.0015536200000000 ] - [ 0.0002615900000000, 0.0002068800000000, 0.0028444300000000 ] - [ 0.0015867600000000, 0.0000000000000000, 0.0034293100000000 ] - [ 0.0105401700000000, 0.0267384300000000, -0.0468213700000000 ] - [ 0.0037391000000000, 0.0000000000000000, -0.0231783200000000 ] - [ -0.0012276700000000, 0.0000000000000000, 0.0082140500000000 ] - [ -0.0011451800000000, 0.0000000000000000, 0.0101918900000000 ] - [ -0.0063162100000000, 0.0025847400000000, -0.0238743600000000 ] - [ 0.0105401700000000, -0.0267384300000000, -0.0468213700000000 ] - [ -0.0430252700000000, 0.0000000000000000, -0.0533642600000000 ] - [ -0.0063162100000000, -0.0025847400000000, -0.0238743600000000 ] - [ 0.0004947300000000, 0.0000000000000000, 0.0043317600000000 ] - [ -0.0041452300000000, 0.0000000000000000, -0.0102171900000000 ] - [ 0.0043954300000000, 0.0023831900000000, 0.0031455900000000 ] - [ -0.0046889100000000, 0.0003470700000000, 0.0016626500000000 ] - [ 0.0007252900000000, 0.0008618100000000, 0.0033090100000000 ] - [ 0.0002096600000000, 0.0000000000000000, 0.0029189800000000 ] - [ -0.0001632900000000, -0.0003109800000000, 0.0016694000000000 ] - [ -0.0017980000000000, 0.0000000000000000, 0.0024858800000000 ] - [ 0.0001346500000000, -0.0003111500000000, 0.0019864900000000 ] - [ -0.0005686200000000, 0.0000000000000000, 0.0023652000000000 ] - [ -0.0008291800000000, 0.0000000000000000, 0.0030840200000000 ] - [ -0.0001961800000000, -0.0000838200000000, 0.0025663600000000 ] - [ -0.0006495500000000, 0.0000000000000000, 0.0021850900000000 ] - [ 0.0001346500000000, 0.0003111500000000, 0.0019864900000000 ] - [ -0.0002174600000000, 0.0000000000000000, 0.0023965900000000 ] - [ -0.0001961800000000, 0.0000838200000000, 0.0025663600000000 ] - [ 0.0001025500000000, 0.0000664200000000, 0.0024302200000000 ] - [ 0.0000784200000000, 0.0000000000000000, 0.0025633200000000 ] - [ -0.0000373000000000, 0.0000000000000000, 0.0029943000000000 ] - [ 0.0001025500000000, -0.0000664200000000, 0.0024302200000000 ] - [ 0.0002750300000000, 0.0000790500000000, 0.0024455400000000 ] - [ -0.0005220600000000, 0.0000000000000000, 0.0026887800000000 ] - [ -0.0003752600000000, 0.0000000000000000, 0.0020480200000000 ] - [ 0.0003634800000000, -0.0000612500000000, 0.0025092200000000 ] - [ -0.0035690100000000, -0.0001606600000000, 0.0015536200000000 ] - [ 0.0007296400000000, 0.0000000000000000, 0.0024100000000000 ] - [ 0.0003394200000000, 0.0000000000000000, 0.0031108500000000 ] - [ -0.0003972900000000, -0.0000401200000000, 0.0014443200000000 ] - [ 0.0045132200000000, 0.0000000000000000, -0.0069452000000000 ] - [ 0.0027590800000000, 0.0020515800000000, 0.0027265400000000 ] - [ -0.0003972900000000, 0.0000401200000000, 0.0014443200000000 ] - [ -0.0003363800000000, 0.0000000000000000, -0.0008025600000000 ] - [ 0.0025223800000000, 0.0009448000000000, -0.0056542700000000 ] - [ -0.0045231100000000, 0.0000000000000000, -0.0064874100000000 ] - [ 0.0004202400000000, 0.0000000000000000, -0.0012647400000000 ] - [ 0.0002171700000000, 0.0000000000000000, -0.0009059300000000 ] - [ 0.0036848600000000, -0.0014422200000000, -0.0055650400000000 ] - [ 0.0025223800000000, -0.0009448000000000, -0.0056542700000000 ] - [ -0.0027270200000000, 0.0000000000000000, -0.0057586900000000 ] - [ 0.0036848600000000, 0.0014422200000000, -0.0055650400000000 ] - [ 0.0010647700000000, 0.0000000000000000, -0.0009708000000000 ] - [ 0.0051031600000000, 0.0000000000000000, -0.0119597900000000 ] - [ -0.0046889100000000, -0.0003470700000000, 0.0016626500000000 ] - [ 0.0043954300000000, -0.0023831900000000, 0.0031455900000000 ]- atom: 23 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001020200000000, 0.0000000000000000, -0.0012298100000000 ] - [ -0.0000293300000000, 0.0000000000000000, -0.0007205000000000 ] - [ -0.0004039800000000, 0.0000275700000000, 0.0000519300000000 ] - [ -0.0001554900000000, 0.0000000000000000, -0.0003808800000000 ] - [ 0.0005878900000000, -0.0000686500000000, -0.0001406400000000 ] - [ 0.0000586500000000, 0.0000118400000000, -0.0000024500000000 ] - [ 0.0000121500000000, 0.0000000000000000, 0.0000305200000000 ] - [ 0.0000586500000000, -0.0000118400000000, -0.0000024500000000 ] - [ -0.0001232700000000, 0.0000000000000000, -0.0000524600000000 ] - [ -0.0002266900000000, 0.0000000000000000, -0.0000544600000000 ] - [ -0.0006442400000000, -0.0003507600000000, -0.0009403000000000 ] - [ 0.0139076500000000, 0.0000000000000000, 0.0000921600000000 ] - [ 0.0002869600000000, 0.0000000000000000, 0.0001453300000000 ] - [ 0.0037516000000000, 0.0000000000000000, 0.0030655700000000 ] - [ -0.0006442400000000, 0.0003507600000000, -0.0009403000000000 ] - [ -0.0007761000000000, 0.0000000000000000, 0.0008547800000000 ] - [ 0.0118024400000000, -0.0153002100000000, -0.0167502400000000 ] - [ -0.0067369900000000, 0.0000000000000000, 0.0100990400000000 ] - [ -0.0050489200000000, 0.0012353300000000, -0.0051675800000000 ] - [ 0.0281557700000000, 0.0000000000000000, 0.0115449100000000 ] - [ 0.0118024400000000, 0.0153002100000000, -0.0167502400000000 ] - [ 0.0060682300000000, 0.0004146100000000, 0.0036383300000000 ] - [ -0.2044449700000000, 0.0000000000000000, 0.0037276500000000 ] - [ -0.0021756300000000, 0.0000000000000000, 0.0012440200000000 ] - [ 0.0001783800000000, 0.0000000000000000, 0.0018407000000000 ] - [ -0.0001103900000000, 0.0000000000000000, 0.0000038700000000 ] - [ 0.0005878900000000, 0.0000686500000000, -0.0001406400000000 ] - [ -0.0000768700000000, 0.0000000000000000, -0.0003227200000000 ] - [ -0.0004039800000000, -0.0000275700000000, 0.0000519300000000 ] - [ -0.0000927400000000, -0.0000004600000000, 0.0000247300000000 ] - [ -0.0002030200000000, 0.0000000000000000, 0.0001438400000000 ] - [ -0.0000927400000000, 0.0000004600000000, 0.0000247300000000 ] - [ -0.0000828300000000, 0.0000000000000000, 0.0001828700000000 ] - [ 0.0002683800000000, 0.0000000000000000, 0.0000185400000000 ] - [ 0.0010957700000000, -0.0000185300000000, 0.0001006600000000 ] - [ -0.0253104200000000, 0.0000000000000000, 0.0113348400000000 ] - [ 0.0003097600000000, 0.0000000000000000, -0.0003604500000000 ] - [ -0.0000825400000000, 0.0000000000000000, -0.0036987400000000 ] - [ 0.0010957700000000, 0.0000185300000000, 0.0001006600000000 ] - [ 0.0013505900000000, 0.0000000000000000, -0.0009507700000000 ] - [ 0.0131535400000000, -0.0058507400000000, 0.0109220800000000 ] - [ 0.0062548200000000, 0.0000000000000000, -0.0045075500000000 ] - [ 0.0060682300000000, -0.0004146100000000, 0.0036383300000000 ] - [ 0.0075910100000000, 0.0000000000000000, -0.0103582900000000 ] - [ 0.0131535400000000, 0.0058507400000000, 0.0109220800000000 ] - [ -0.0050489200000000, -0.0012353300000000, -0.0051675800000000 ] - [ 0.0106724400000000, 0.0000000000000000, 0.0008357000000000 ] - [ 0.0013777300000000, 0.0000000000000000, -0.0014763800000000 ] - [ 0.0000749600000000, 0.0000000000000000, -0.0003495000000000 ] - [ -0.0068088400000000, 0.0000000000000000, 0.0002195900000000 ] - [ -0.0033900000000000, 0.0000000000000000, 0.0069670000000000 ] - [ 0.0008928100000000, 0.0000000000000000, -0.0027938600000000 ] - [ -0.0002769100000000, 0.0000000000000000, -0.0000704000000000 ] - [ 0.0034745500000000, 0.0000000000000000, -0.0002692200000000 ] - [ 0.0135945300000000, 0.0000000000000000, -0.0061691900000000 ] - [ -0.0013546300000000, 0.0000000000000000, 0.0022642300000000 ] - [ 0.0003219400000000, 0.0001711900000000, 0.0005225400000000 ] - [ 0.0000651700000000, 0.0000000000000000, -0.0001816700000000 ] - [ -0.0003824800000000, 0.0000690300000000, -0.0003386100000000 ] - [ -0.0007365600000000, 0.0000000000000000, -0.0001227400000000 ] - [ -0.0001708400000000, -0.0001213500000000, -0.0003297200000000 ] - [ -0.0003587100000000, 0.0000000000000000, -0.0000533400000000 ] - [ -0.0004714900000000, 0.0000000000000000, 0.0002538600000000 ] - [ -0.0001316200000000, 0.0000150100000000, -0.0000470500000000 ] - [ -0.0005034900000000, 0.0000000000000000, -0.0003406000000000 ] - [ -0.0001708400000000, 0.0001213500000000, -0.0003297200000000 ] - [ -0.0000948200000000, 0.0000000000000000, -0.0002076300000000 ] - [ -0.0001316200000000, -0.0000150100000000, -0.0000470500000000 ] - [ -0.0003820100000000, 0.0000333700000000, 0.0000196900000000 ] - [ 0.0001130600000000, 0.0000000000000000, -0.0000255700000000 ] - [ 0.0002712000000000, 0.0000000000000000, 0.0001268200000000 ] - [ -0.0003820100000000, -0.0000333700000000, 0.0000196900000000 ] - [ 0.0000225100000000, -0.0001637200000000, 0.0000825000000000 ] - [ 0.0011604300000000, 0.0000000000000000, 0.0001215500000000 ] - [ 0.0000744500000000, 0.0000000000000000, -0.0001000500000000 ] - [ -0.0001344800000000, 0.0001362200000000, -0.0000485600000000 ] - [ 0.0066694500000000, -0.0029977900000000, 0.0041478500000000 ] - [ -0.0011480600000000, 0.0000000000000000, -0.0002932900000000 ] - [ -0.0000368500000000, 0.0000000000000000, -0.0007440400000000 ] - [ 0.0000110200000000, -0.0001291600000000, 0.0008059500000000 ] - [ -0.0122517700000000, 0.0000000000000000, -0.0037885200000000 ] - [ -0.0047364000000000, 0.0005497300000000, -0.0015354600000000 ] - [ 0.0000110200000000, 0.0001291600000000, 0.0008059500000000 ] - [ -0.0015218400000000, 0.0000000000000000, 0.0024325000000000 ] - [ -0.0047152400000000, 0.0024692300000000, -0.0084755200000000 ] - [ 0.0792112900000000, 0.0000000000000000, -0.0206446200000000 ] - [ -0.0075499800000000, 0.0000000000000000, 0.0075889300000000 ] - [ -0.0011298600000000, 0.0000000000000000, -0.0027954500000000 ] - [ -0.0108607100000000, 0.0035231200000000, 0.0008130600000000 ] - [ -0.0047152400000000, -0.0024692300000000, -0.0084755200000000 ] - [ -0.0056112900000000, 0.0000000000000000, 0.0000233700000000 ] - [ -0.0108607100000000, -0.0035231200000000, 0.0008130600000000 ] - [ -0.0006610800000000, 0.0000000000000000, -0.0020604900000000 ] - [ 0.0215565000000000, 0.0000000000000000, -0.0000270000000000 ] - [ -0.0026090600000000, -0.0002608100000000, 0.0010231800000000 ] - [ 0.0027269500000000, -0.0000011400000000, 0.0007937200000000 ] - [ -0.0003824800000000, -0.0000690300000000, -0.0003386100000000 ] - [ -0.0002749200000000, 0.0000000000000000, -0.0003496700000000 ] - [ 0.0003219400000000, -0.0001711900000000, 0.0005225400000000 ] - [ 0.0000613900000000, 0.0000000000000000, -0.0008626000000000 ] - [ -0.0000911700000000, -0.0001040600000000, -0.0003452900000000 ] - [ -0.0000306200000000, 0.0000000000000000, 0.0000512100000000 ] - [ 0.0001562400000000, 0.0000000000000000, -0.0003862700000000 ] - [ -0.0000357500000000, 0.0000023800000000, -0.0002817100000000 ] - [ -0.0003971900000000, 0.0000000000000000, -0.0004090800000000 ] - [ -0.0000911700000000, 0.0001040600000000, -0.0003452900000000 ] - [ -0.0000701000000000, 0.0000000000000000, -0.0002563800000000 ] - [ -0.0000357500000000, -0.0000023800000000, -0.0002817100000000 ] - [ 0.0003602100000000, 0.0000145300000000, -0.0001000800000000 ] - [ 0.0002817200000000, 0.0000000000000000, -0.0001341300000000 ] - [ 0.0003067200000000, 0.0000000000000000, 0.0000852600000000 ] - [ 0.0003602100000000, -0.0000145300000000, -0.0001000800000000 ] - [ -0.0001344800000000, -0.0001362200000000, -0.0000485600000000 ] - [ -0.0011000500000000, 0.0000000000000000, 0.0000020500000000 ] - [ -0.0004760100000000, 0.0000000000000000, -0.0006719500000000 ] - [ 0.0000225100000000, 0.0001637200000000, 0.0000825000000000 ] - [ -0.0047364000000000, -0.0005497300000000, -0.0015354600000000 ] - [ 0.0013563700000000, 0.0000000000000000, 0.0006365600000000 ] - [ 0.0002900300000000, 0.0000000000000000, 0.0002972700000000 ] - [ -0.0005468200000000, -0.0001120600000000, -0.0022524300000000 ] - [ 0.0063323500000000, 0.0000000000000000, 0.0039847000000000 ] - [ 0.0066694500000000, 0.0029977900000000, 0.0041478500000000 ] - [ -0.0005468200000000, 0.0001120600000000, -0.0022524300000000 ] - [ -0.0027316400000000, 0.0000000000000000, -0.0075285900000000 ] - [ -0.0028517900000000, 0.0027958400000000, 0.0069566700000000 ] - [ -0.0075065800000000, 0.0000000000000000, -0.0004672400000000 ] - [ -0.0016785400000000, 0.0000000000000000, -0.0078599100000000 ] - [ 0.0009625000000000, 0.0000000000000000, 0.0034960500000000 ] - [ 0.0364305900000000, -0.0255126500000000, 0.0094898300000000 ] - [ -0.0028517900000000, -0.0027958400000000, 0.0069566700000000 ] - [ 0.0065484900000000, 0.0000000000000000, 0.0046245600000000 ] - [ 0.0364305900000000, 0.0255126500000000, 0.0094898300000000 ] - [ 0.0017982300000000, 0.0000000000000000, 0.0010534800000000 ] - [ -0.0050377600000000, 0.0000000000000000, -0.0005914700000000 ] - [ 0.0027269500000000, 0.0000011400000000, 0.0007937200000000 ] - [ -0.0026090600000000, 0.0002608100000000, 0.0010231800000000 ]- atom: 23 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001925000000000, 0.0000000000000000, 0.0018248000000000 ] - [ -0.0000918000000000, 0.0000000000000000, -0.0000547900000000 ] - [ 0.0005635500000000, 0.0000506900000000, -0.0001241000000000 ] - [ -0.0000730900000000, 0.0000000000000000, -0.0003289900000000 ] - [ -0.0004263300000000, -0.0000101200000000, 0.0000745600000000 ] - [ -0.0000962500000000, -0.0000030300000000, 0.0000195000000000 ] - [ -0.0002099700000000, 0.0000000000000000, 0.0001382800000000 ] - [ -0.0000962500000000, 0.0000030300000000, 0.0000195000000000 ] - [ -0.0000729900000000, 0.0000000000000000, 0.0001773100000000 ] - [ 0.0002211000000000, 0.0000000000000000, 0.0000112800000000 ] - [ 0.0008393900000000, 0.0002037900000000, 0.0002058200000000 ] - [ -0.0138793800000000, 0.0000000000000000, -0.0005708100000000 ] - [ 0.0003190600000000, 0.0000000000000000, -0.0003679000000000 ] - [ -0.0036849800000000, 0.0000000000000000, -0.0037361000000000 ] - [ 0.0008393900000000, -0.0002037900000000, 0.0002058200000000 ] - [ 0.0014873200000000, 0.0000000000000000, -0.0011811600000000 ] - [ -0.0116410300000000, 0.0153717200000000, 0.0166744900000000 ] - [ 0.0063625600000000, 0.0000000000000000, -0.0094768000000000 ] - [ 0.0049383000000000, -0.0010432100000000, 0.0060516200000000 ] - [ -0.0275506600000000, 0.0000000000000000, -0.0104834900000000 ] - [ -0.0116410300000000, -0.0153717200000000, 0.0166744900000000 ] - [ -0.0062657400000000, -0.0006453900000000, -0.0026570200000000 ] - [ 0.1992489700000000, 0.0000000000000000, 0.0012923100000000 ] - [ 0.0022074400000000, 0.0000000000000000, -0.0014940400000000 ] - [ 0.0001027700000000, 0.0000000000000000, -0.0012354300000000 ] - [ -0.0000191100000000, 0.0000000000000000, -0.0007755100000000 ] - [ -0.0004263300000000, 0.0000101200000000, 0.0000745600000000 ] - [ -0.0001521800000000, 0.0000000000000000, -0.0003855600000000 ] - [ 0.0005635500000000, -0.0000506900000000, -0.0001241000000000 ] - [ 0.0000550800000000, 0.0000092500000000, -0.0000074300000000 ] - [ 0.0000042700000000, 0.0000000000000000, 0.0000240900000000 ] - [ 0.0000550800000000, -0.0000092500000000, -0.0000074300000000 ] - [ -0.0001159500000000, 0.0000000000000000, -0.0000571500000000 ] - [ -0.0002735600000000, 0.0000000000000000, -0.0000628800000000 ] - [ -0.0008972400000000, -0.0001289000000000, -0.0008400000000000 ] - [ 0.0252934100000000, 0.0000000000000000, -0.0116655000000000 ] - [ 0.0002953200000000, 0.0000000000000000, 0.0001384300000000 ] - [ 0.0001279000000000, 0.0000000000000000, 0.0030482800000000 ] - [ -0.0008972400000000, 0.0001289000000000, -0.0008400000000000 ] - [ -0.0006450400000000, 0.0000000000000000, 0.0006234500000000 ] - [ -0.0129662700000000, 0.0060567900000000, -0.0109997000000000 ] - [ -0.0065084300000000, 0.0000000000000000, 0.0051395800000000 ] - [ -0.0062657400000000, 0.0006453900000000, -0.0026570200000000 ] - [ -0.0070170700000000, 0.0000000000000000, 0.0113387200000000 ] - [ -0.0129662700000000, -0.0060567900000000, -0.0109997000000000 ] - [ 0.0049383000000000, 0.0010432100000000, 0.0060516200000000 ] - [ -0.0102683000000000, 0.0000000000000000, -0.0000978500000000 ] - [ -0.0012955200000000, 0.0000000000000000, 0.0012387800000000 ] - [ -0.0002437200000000, 0.0000000000000000, -0.0000735000000000 ] - [ 0.0068659100000000, 0.0000000000000000, -0.0001302500000000 ] - [ 0.0035595300000000, 0.0000000000000000, -0.0059386100000000 ] - [ -0.0009183500000000, 0.0000000000000000, 0.0022726900000000 ] - [ 0.0001095400000000, 0.0000000000000000, -0.0003523800000000 ] - [ -0.0034188100000000, 0.0000000000000000, 0.0002972600000000 ] - [ -0.0134456900000000, 0.0000000000000000, 0.0072788400000000 ] - [ 0.0013369700000000, 0.0000000000000000, -0.0027711500000000 ] - [ -0.0003396700000000, -0.0000974400000000, -0.0003064600000000 ] - [ -0.0002691400000000, 0.0000000000000000, -0.0003412900000000 ] - [ 0.0003677500000000, -0.0001418600000000, 0.0005487300000000 ] - [ 0.0000492200000000, 0.0000000000000000, -0.0009032000000000 ] - [ -0.0000905900000000, -0.0001052000000000, -0.0003419300000000 ] - [ -0.0000306000000000, 0.0000000000000000, 0.0000708000000000 ] - [ 0.0000279600000000, 0.0000000000000000, -0.0003879600000000 ] - [ -0.0000388800000000, 0.0000010500000000, -0.0002845500000000 ] - [ -0.0003977900000000, 0.0000000000000000, -0.0004057700000000 ] - [ -0.0000905900000000, 0.0001052000000000, -0.0003419300000000 ] - [ -0.0000699800000000, 0.0000000000000000, -0.0002520300000000 ] - [ -0.0000388800000000, -0.0000010500000000, -0.0002845500000000 ] - [ 0.0003339800000000, 0.0000512000000000, -0.0001365300000000 ] - [ 0.0002817800000000, 0.0000000000000000, -0.0001424400000000 ] - [ 0.0003063400000000, 0.0000000000000000, 0.0000880000000000 ] - [ 0.0003339800000000, -0.0000512000000000, -0.0001365300000000 ] - [ -0.0001275400000000, -0.0001342500000000, -0.0000412400000000 ] - [ -0.0012649800000000, 0.0000000000000000, 0.0000000800000000 ] - [ -0.0004383700000000, 0.0000000000000000, -0.0005887000000000 ] - [ 0.0000293100000000, 0.0001615900000000, 0.0000902300000000 ] - [ -0.0066762200000000, 0.0029103000000000, -0.0038473900000000 ] - [ 0.0014141200000000, 0.0000000000000000, -0.0001903100000000 ] - [ 0.0003773500000000, 0.0000000000000000, 0.0003019300000000 ] - [ -0.0001856300000000, 0.0000682100000000, -0.0018256400000000 ] - [ 0.0125702000000000, 0.0000000000000000, 0.0041940600000000 ] - [ 0.0046894100000000, -0.0004764900000000, 0.0018666300000000 ] - [ -0.0001856300000000, -0.0000682100000000, -0.0018256400000000 ] - [ 0.0011478100000000, 0.0000000000000000, -0.0028173000000000 ] - [ 0.0047372400000000, -0.0021243300000000, 0.0088161000000000 ] - [ -0.0726265700000000, 0.0000000000000000, 0.0186002000000000 ] - [ 0.0077028400000000, 0.0000000000000000, -0.0078848100000000 ] - [ 0.0010496100000000, 0.0000000000000000, 0.0035145000000000 ] - [ 0.0108712500000000, -0.0031557700000000, 0.0001206100000000 ] - [ 0.0047372400000000, 0.0021243300000000, 0.0088161000000000 ] - [ 0.0057397300000000, 0.0000000000000000, 0.0010768500000000 ] - [ 0.0108712500000000, 0.0031557700000000, 0.0001206100000000 ] - [ 0.0007878400000000, 0.0000000000000000, 0.0027135500000000 ] - [ -0.0211280100000000, 0.0000000000000000, -0.0005946600000000 ] - [ 0.0024647100000000, 0.0005134300000000, -0.0000720100000000 ] - [ -0.0028301400000000, -0.0002246700000000, 0.0002056200000000 ] - [ 0.0003677500000000, 0.0001418600000000, 0.0005487300000000 ] - [ 0.0000706300000000, 0.0000000000000000, -0.0001759300000000 ] - [ -0.0003396700000000, 0.0000974400000000, -0.0003064600000000 ] - [ -0.0007427100000000, 0.0000000000000000, -0.0001606500000000 ] - [ -0.0001699300000000, -0.0001223800000000, -0.0003258200000000 ] - [ -0.0003584800000000, 0.0000000000000000, -0.0000315500000000 ] - [ -0.0005906400000000, 0.0000000000000000, 0.0002602900000000 ] - [ -0.0001321300000000, 0.0000132000000000, -0.0000491400000000 ] - [ -0.0005042600000000, 0.0000000000000000, -0.0003372300000000 ] - [ -0.0001699300000000, 0.0001223800000000, -0.0003258200000000 ] - [ -0.0000939300000000, 0.0000000000000000, -0.0002035500000000 ] - [ -0.0001321300000000, -0.0000132000000000, -0.0000491400000000 ] - [ -0.0004098200000000, 0.0000699900000000, -0.0000185900000000 ] - [ 0.0001127200000000, 0.0000000000000000, -0.0000337400000000 ] - [ 0.0002712000000000, 0.0000000000000000, 0.0001293600000000 ] - [ -0.0004098200000000, -0.0000699900000000, -0.0000185900000000 ] - [ 0.0000293100000000, -0.0001615900000000, 0.0000902300000000 ] - [ 0.0009970100000000, 0.0000000000000000, 0.0001266100000000 ] - [ 0.0001109100000000, 0.0000000000000000, -0.0000154100000000 ] - [ -0.0001275400000000, 0.0001342500000000, -0.0000412400000000 ] - [ 0.0046894100000000, 0.0004764900000000, 0.0018666300000000 ] - [ -0.0010888000000000, 0.0000000000000000, -0.0011286000000000 ] - [ 0.0000521100000000, 0.0000000000000000, -0.0007401700000000 ] - [ 0.0003643100000000, 0.0000522200000000, 0.0012340000000000 ] - [ -0.0060708400000000, 0.0000000000000000, -0.0036456500000000 ] - [ -0.0066762200000000, -0.0029103000000000, -0.0038473900000000 ] - [ 0.0003643100000000, -0.0000522200000000, 0.0012340000000000 ] - [ 0.0023075300000000, 0.0000000000000000, 0.0071451900000000 ] - [ 0.0028664400000000, -0.0025143400000000, -0.0065973300000000 ] - [ 0.0082597500000000, 0.0000000000000000, 0.0007811100000000 ] - [ 0.0017609900000000, 0.0000000000000000, 0.0075172900000000 ] - [ -0.0010768500000000, 0.0000000000000000, -0.0027617400000000 ] - [ -0.0367047700000000, 0.0269732500000000, -0.0090474500000000 ] - [ 0.0028664400000000, 0.0025143400000000, -0.0065973300000000 ] - [ -0.0064509600000000, 0.0000000000000000, -0.0034648200000000 ] - [ -0.0367047700000000, -0.0269732500000000, -0.0090474500000000 ] - [ -0.0017257900000000, 0.0000000000000000, -0.0003600400000000 ] - [ 0.0054359500000000, 0.0000000000000000, 0.0006724000000000 ] - [ -0.0028301400000000, 0.0002246700000000, 0.0002056200000000 ] - [ 0.0024647100000000, -0.0005134300000000, -0.0000720100000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001454100000000, -0.0000413800000000, 0.0003006900000000 ] - [ -0.0000627500000000, 0.0000209800000000, -0.0003874300000000 ] - [ 0.0000924500000000, 0.0000385300000000, -0.0000106700000000 ] - [ -0.0001151100000000, -0.0000018600000000, -0.0003546100000000 ] - [ 0.0000733300000000, -0.0000386100000000, -0.0000548300000000 ] - [ -0.0000166900000000, 0.0000042600000000, 0.0000105400000000 ] - [ -0.0000990600000000, 0.0000026600000000, 0.0000842200000000 ] - [ -0.0000205600000000, -0.0000041700000000, 0.0000068200000000 ] - [ -0.0000986700000000, -0.0000041100000000, 0.0000621700000000 ] - [ -0.0000032800000000, 0.0000194600000000, -0.0000216200000000 ] - [ -0.0000550400000000, -0.0000751800000000, -0.0005255100000000 ] - [ 0.0000471600000000, 0.0006867100000000, -0.0002130600000000 ] - [ 0.0003033600000000, -0.0000051900000000, -0.0001100100000000 ] - [ 0.0000307800000000, 0.0004233200000000, -0.0003239900000000 ] - [ 0.0002498100000000, 0.0000723900000000, -0.0002138400000000 ] - [ 0.0003522300000000, 0.0001043900000000, -0.0001622900000000 ] - [ -0.0059406800000000, 0.0004749600000000, 0.0007214000000000 ] - [ -0.0001579500000000, -0.0017261400000000, 0.0002568500000000 ] - [ 0.0013064200000000, 0.0002121600000000, 0.0054437300000000 ] - [ 0.0001619200000000, -0.0020480900000000, 0.0005116100000000 ] - [ 0.0060935400000000, 0.0002365200000000, -0.0007465400000000 ] - [ 0.0006736200000000, 0.0000297600000000, 0.0011824200000000 ] - [ 0.0028961700000000, -0.1894557200000000, 0.0025017700000000 ] - [ 0.0000354100000000, -0.0002877900000000, -0.0001180500000000 ] - [ 0.0001449000000000, 0.0000363600000000, 0.0002961000000000 ] - [ -0.0000623200000000, 0.0000122700000000, -0.0003869700000000 ] - [ 0.0000865300000000, 0.0000384700000000, -0.0000139000000000 ] - [ -0.0001150800000000, -0.0000008100000000, -0.0003546200000000 ] - [ 0.0000676100000000, -0.0000396300000000, -0.0000578500000000 ] - [ -0.0000170700000000, 0.0000045700000000, 0.0000100400000000 ] - [ -0.0000990100000000, 0.0000037400000000, 0.0000842300000000 ] - [ -0.0000205100000000, -0.0000038500000000, 0.0000073300000000 ] - [ -0.0000986200000000, -0.0000038900000000, 0.0000620600000000 ] - [ -0.0000025000000000, 0.0000278900000000, -0.0000213500000000 ] - [ 0.0000288300000000, -0.0000764700000000, -0.0004049100000000 ] - [ -0.0000321600000000, 0.0362685500000000, -0.0003152200000000 ] - [ 0.0003034000000000, -0.0000063200000000, -0.0001109000000000 ] - [ 0.0000256100000000, 0.0031738600000000, -0.0003358400000000 ] - [ 0.0001705900000000, 0.0000695300000000, -0.0003306800000000 ] - [ 0.0003556400000000, 0.0002789300000000, -0.0001649300000000 ] - [ -0.0151257900000000, 0.0001647000000000, -0.0111049900000000 ] - [ -0.0001296700000000, 0.0031563100000000, 0.0002943900000000 ] - [ -0.0008865500000000, 0.0002611800000000, -0.0002331500000000 ] - [ 0.0000788300000000, 0.0369549200000000, 0.0005000300000000 ] - [ 0.0152494500000000, 0.0000539900000000, 0.0111099100000000 ] - [ -0.0015394700000000, 0.0001337800000000, -0.0044556700000000 ] - [ 0.0002082000000000, -0.0006243300000000, 0.0003708500000000 ] - [ 0.0000364800000000, -0.0005615100000000, -0.0001235800000000 ] - [ -0.0000838600000000, -0.0000240600000000, -0.0002109100000000 ] - [ 0.0000243700000000, -0.0033431400000000, 0.0000388800000000 ] - [ 0.0002128100000000, 0.0133778400000000, 0.0005720300000000 ] - [ -0.0000085600000000, -0.0003096000000000, -0.0002582700000000 ] - [ -0.0000844200000000, -0.0000157100000000, -0.0002108500000000 ] - [ 0.0000348400000000, -0.0000449900000000, 0.0000181800000000 ] - [ 0.0001546600000000, -0.0035063900000000, 0.0004976900000000 ] - [ -0.0000129500000000, -0.0001220400000000, -0.0002554600000000 ] - [ -0.0000050700000000, 0.0000284400000000, 0.0000751700000000 ] - [ -0.0001017800000000, -0.0000048500000000, -0.0002636800000000 ] - [ -0.0000350400000000, -0.0000380800000000, 0.0001137600000000 ] - [ -0.0003420300000000, -0.0000221800000000, -0.0005152200000000 ] - [ -0.0001295900000000, -0.0001127900000000, -0.0003362600000000 ] - [ -0.0001945300000000, 0.0000001400000000, 0.0000076900000000 ] - [ -0.0002206100000000, 0.0000415200000000, -0.0000662600000000 ] - [ -0.0000830700000000, 0.0000076000000000, -0.0001727600000000 ] - [ -0.0004509800000000, 0.0000017800000000, -0.0003723100000000 ] - [ -0.0001300800000000, 0.0001130200000000, -0.0003356900000000 ] - [ -0.0000822400000000, 0.0000001000000000, -0.0002303400000000 ] - [ -0.0000859200000000, -0.0000081900000000, -0.0001614500000000 ] - [ -0.0000626700000000, 0.0000312800000000, -0.0000186600000000 ] - [ 0.0001971400000000, -0.0000026200000000, -0.0000818300000000 ] - [ 0.0002885600000000, -0.0000000600000000, 0.0001084000000000 ] - [ 0.0000128700000000, -0.0000535900000000, -0.0000957300000000 ] - [ -0.0000528400000000, -0.0001477600000000, 0.0000280000000000 ] - [ -0.0000502200000000, 0.0002004600000000, 0.0000638300000000 ] - [ -0.0001820900000000, 0.0000328200000000, -0.0003415700000000 ] - [ -0.0000511200000000, 0.0001496700000000, 0.0000157200000000 ] - [ -0.0034329900000000, -0.0019705300000000, 0.0041628600000000 ] - [ 0.0001325100000000, -0.0000062300000000, -0.0002447000000000 ] - [ 0.0001703600000000, -0.0000294600000000, -0.0002216400000000 ] - [ -0.0003263300000000, -0.0001640100000000, 0.0000013700000000 ] - [ 0.0001079400000000, 0.0048410300000000, 0.0001551900000000 ] - [ -0.0000206700000000, 0.0000602600000000, 0.0001289100000000 ] - [ 0.0001468700000000, -0.0001046700000000, -0.0010140800000000 ] - [ -0.0002066100000000, -0.0006714900000000, -0.0001803400000000 ] - [ 0.0025035200000000, 0.0007310200000000, 0.0020413500000000 ] - [ 0.0002115000000000, 0.0193351100000000, 0.0002100000000000 ] - [ 0.0000762800000000, -0.0000461800000000, -0.0001524700000000 ] - [ -0.0000450000000000, 0.0004904000000000, 0.0003696600000000 ] - [ -0.0008283500000000, 0.0005795900000000, 0.0001194600000000 ] - [ -0.0024677000000000, 0.0004396800000000, -0.0016389900000000 ] - [ 0.0000630700000000, 0.0009559100000000, 0.0005581200000000 ] - [ 0.0008182300000000, 0.0002378700000000, 0.0007973700000000 ] - [ 0.0000566900000000, -0.0004931200000000, 0.0003373400000000 ] - [ 0.0001928400000000, 0.0168467600000000, -0.0003139100000000 ] - [ 0.0004222400000000, 0.0002939400000000, -0.0000217500000000 ] - [ 0.0009015800000000, 0.0005058700000000, 0.0014255200000000 ] - [ 0.0000197000000000, 0.0000365200000000, 0.0000973900000000 ] - [ -0.0001016700000000, -0.0000002000000000, -0.0002637100000000 ] - [ -0.0000103500000000, -0.0000445200000000, 0.0001352300000000 ] - [ -0.0003430300000000, -0.0000384800000000, -0.0005144000000000 ] - [ -0.0001296800000000, -0.0001127000000000, -0.0003364300000000 ] - [ -0.0001944800000000, 0.0000023900000000, 0.0000075200000000 ] - [ -0.0002196000000000, 0.0000844300000000, -0.0000670500000000 ] - [ -0.0000848200000000, 0.0000084300000000, -0.0001748200000000 ] - [ -0.0004508500000000, 0.0000014700000000, -0.0003723200000000 ] - [ -0.0001298800000000, 0.0001129700000000, -0.0003355400000000 ] - [ -0.0000820600000000, -0.0000002500000000, -0.0002303500000000 ] - [ -0.0000842600000000, -0.0000074500000000, -0.0001594800000000 ] - [ -0.0000237500000000, 0.0000347400000000, -0.0000249900000000 ] - [ 0.0001973800000000, -0.0000023300000000, -0.0000818300000000 ] - [ 0.0002885700000000, 0.0000002600000000, 0.0001084600000000 ] - [ -0.0000237800000000, -0.0000500500000000, -0.0000895200000000 ] - [ -0.0000548200000000, -0.0001469400000000, 0.0000292900000000 ] - [ -0.0000538400000000, -0.0000225400000000, 0.0000636300000000 ] - [ -0.0001828100000000, 0.0000127900000000, -0.0003424100000000 ] - [ -0.0000526300000000, 0.0001490000000000, 0.0000174700000000 ] - [ -0.0000263500000000, -0.0000267000000000, 0.0001724600000000 ] - [ 0.0001352900000000, -0.0004519600000000, -0.0002427100000000 ] - [ 0.0001706600000000, -0.0000597400000000, -0.0002197800000000 ] - [ -0.0000276300000000, -0.0000499400000000, -0.0002949600000000 ] - [ 0.0000465300000000, -0.0107306700000000, 0.0002163100000000 ] - [ 0.0033946200000000, -0.0019171400000000, -0.0038302300000000 ] - [ -0.0001516700000000, 0.0000100000000000, -0.0007272700000000 ] - [ -0.0001969100000000, 0.0047187800000000, -0.0001965300000000 ] - [ 0.0025161100000000, -0.0023300900000000, -0.0046380500000000 ] - [ 0.0003799200000000, -0.0067283300000000, 0.0001560300000000 ] - [ 0.0000611900000000, -0.0093918400000000, -0.0001740100000000 ] - [ -0.0000341200000000, -0.0005380700000000, 0.0003553600000000 ] - [ -0.0232481100000000, 0.0543798500000000, -0.0168239800000000 ] - [ -0.0024409500000000, -0.0026889800000000, 0.0050397500000000 ] - [ 0.0001074100000000, -0.0113363100000000, 0.0004689200000000 ] - [ 0.0209194200000000, 0.0505424200000000, 0.0160639800000000 ] - [ 0.0000412200000000, 0.0004237200000000, 0.0003522000000000 ] - [ 0.0002020900000000, -0.0006213600000000, 0.0000442700000000 ] - [ -0.0010436400000000, 0.0007159900000000, -0.0004600300000000 ] - [ -0.0005590800000000, 0.0000423800000000, 0.0009806300000000 ]- atom: 23 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0009310000000000, 0.0000000000000000, 0.0038292400000000 ] - [ -0.0005975300000000, 0.0000000000000000, 0.0031310900000000 ] - [ 0.0001195600000000, 0.0001472100000000, 0.0037370800000000 ] - [ -0.0001995500000000, 0.0000000000000000, 0.0029606200000000 ] - [ -0.0000188300000000, -0.0001150300000000, 0.0027792400000000 ] - [ 0.0002222700000000, 0.0000247700000000, 0.0037751400000000 ] - [ -0.0000134500000000, 0.0000000000000000, 0.0036154900000000 ] - [ 0.0002222700000000, -0.0000247700000000, 0.0037751400000000 ] - [ -0.0004273500000000, 0.0000000000000000, 0.0035507800000000 ] - [ 0.0000714000000000, 0.0000000000000000, 0.0039724600000000 ] - [ -0.0002905300000000, 0.0000839700000000, 0.0033423300000000 ] - [ 0.0022306900000000, 0.0000000000000000, -0.0037883300000000 ] - [ 0.0002900400000000, 0.0000000000000000, 0.0032831100000000 ] - [ 0.0042233600000000, 0.0000000000000000, 0.0038199600000000 ] - [ -0.0002905300000000, -0.0000839700000000, 0.0033423300000000 ] - [ 0.0006235700000000, 0.0000000000000000, 0.0034224800000000 ] - [ -0.0091669300000000, 0.0022601000000000, -0.0026891900000000 ] - [ 0.0205871300000000, 0.0000000000000000, 0.0164090600000000 ] - [ -0.0121652100000000, 0.0154093400000000, 0.0160477500000000 ] - [ 0.0044316100000000, 0.0000000000000000, -0.0192233500000000 ] - [ -0.0091669300000000, -0.0022601000000000, -0.0026891900000000 ] - [ 0.0033095100000000, -0.0002979900000000, -0.0011682900000000 ] - [ -0.0268818900000000, 0.0000000000000000, -0.2641948900000000 ] - [ 0.0036127100000000, 0.0000000000000000, 0.0041946800000000 ] - [ 0.0011960300000000, 0.0000000000000000, 0.0030396200000000 ] - [ 0.0006383100000000, 0.0000000000000000, 0.0026567000000000 ] - [ -0.0000188300000000, 0.0001150300000000, 0.0027792400000000 ] - [ -0.0001613200000000, 0.0000000000000000, 0.0027646900000000 ] - [ 0.0001195600000000, -0.0001472100000000, 0.0037370800000000 ] - [ 0.0002914900000000, 0.0000285300000000, 0.0038593800000000 ] - [ 0.0001191800000000, 0.0000000000000000, 0.0037743700000000 ] - [ 0.0002914900000000, -0.0000285300000000, 0.0038593800000000 ] - [ -0.0000511900000000, 0.0000000000000000, 0.0034811600000000 ] - [ 0.0001740800000000, 0.0000000000000000, 0.0037007300000000 ] - [ 0.0007340400000000, 0.0000341600000000, 0.0025098900000000 ] - [ -0.0038679900000000, 0.0000000000000000, 0.0042586600000000 ] - [ 0.0001622000000000, 0.0000000000000000, 0.0033506300000000 ] - [ -0.0035797100000000, 0.0000000000000000, 0.0054710500000000 ] - [ 0.0007340400000000, -0.0000341600000000, 0.0025098900000000 ] - [ -0.0003009800000000, 0.0000000000000000, 0.0028318000000000 ] - [ 0.0129704100000000, -0.0052500700000000, 0.0011496600000000 ] - [ -0.0031436600000000, 0.0000000000000000, -0.0005948900000000 ] - [ 0.0033095100000000, 0.0002979900000000, -0.0011682900000000 ] - [ 0.0012984800000000, 0.0000000000000000, -0.0328971900000000 ] - [ 0.0129704100000000, 0.0052500700000000, 0.0011496600000000 ] - [ -0.0121652100000000, -0.0154093400000000, 0.0160477500000000 ] - [ 0.0021643100000000, 0.0000000000000000, -0.0111169600000000 ] - [ -0.0037191800000000, 0.0000000000000000, 0.0022543000000000 ] - [ -0.0002812800000000, 0.0000000000000000, 0.0021589900000000 ] - [ -0.0007964200000000, 0.0000000000000000, 0.0118806600000000 ] - [ 0.0062191800000000, 0.0000000000000000, -0.0093931900000000 ] - [ -0.0008505400000000, 0.0000000000000000, 0.0010253400000000 ] - [ -0.0000576100000000, 0.0000000000000000, 0.0023011700000000 ] - [ 0.0002769700000000, 0.0000000000000000, 0.0006113200000000 ] - [ -0.0047938000000000, 0.0000000000000000, -0.0090053100000000 ] - [ 0.0007650900000000, 0.0000000000000000, 0.0025390100000000 ] - [ 0.0001009900000000, -0.0003159000000000, -0.0022637600000000 ] - [ -0.0001258600000000, 0.0000000000000000, -0.0030512700000000 ] - [ -0.0004748900000000, 0.0002682000000000, -0.0015048000000000 ] - [ 0.0003860400000000, 0.0000000000000000, -0.0022048800000000 ] - [ -0.0003901000000000, 0.0000596700000000, -0.0023947500000000 ] - [ -0.0000403900000000, 0.0000000000000000, -0.0021169900000000 ] - [ 0.0004661600000000, 0.0000000000000000, -0.0025997300000000 ] - [ 0.0000648600000000, 0.0001258300000000, -0.0024262900000000 ] - [ -0.0002452400000000, 0.0000000000000000, -0.0026532200000000 ] - [ -0.0003901000000000, -0.0000596700000000, -0.0023947500000000 ] - [ 0.0000839000000000, 0.0000000000000000, -0.0025363300000000 ] - [ 0.0000648600000000, -0.0001258300000000, -0.0024262900000000 ] - [ 0.0000813800000000, 0.0000133000000000, -0.0021632400000000 ] - [ 0.0003629000000000, 0.0000000000000000, -0.0024405300000000 ] - [ 0.0006038600000000, 0.0000000000000000, -0.0024421700000000 ] - [ 0.0000813800000000, -0.0000133000000000, -0.0021632400000000 ] - [ -0.0003743200000000, -0.0003561400000000, -0.0022220000000000 ] - [ 0.0000413600000000, 0.0000000000000000, -0.0031212200000000 ] - [ 0.0000475400000000, 0.0000000000000000, -0.0027096400000000 ] - [ -0.0003960500000000, 0.0003394500000000, -0.0021506000000000 ] - [ 0.0043854100000000, 0.0031723300000000, -0.0033665800000000 ] - [ -0.0002127100000000, 0.0000000000000000, -0.0017089000000000 ] - [ -0.0000690800000000, 0.0000000000000000, -0.0029085400000000 ] - [ 0.0007976100000000, -0.0000044800000000, -0.0027759400000000 ] - [ -0.0055774700000000, 0.0000000000000000, 0.0053128600000000 ] - [ -0.0023507100000000, 0.0005869200000000, 0.0008234400000000 ] - [ 0.0007976100000000, 0.0000044800000000, -0.0027759400000000 ] - [ 0.0026386300000000, 0.0000000000000000, 0.0011121300000000 ] - [ -0.0087884000000000, 0.0024695600000000, 0.0046027500000000 ] - [ -0.0078585900000000, 0.0000000000000000, 0.0307607600000000 ] - [ 0.0014557500000000, 0.0000000000000000, 0.0023372900000000 ] - [ -0.0022113200000000, 0.0000000000000000, -0.0001632100000000 ] - [ 0.0010767600000000, -0.0010210200000000, 0.0062524500000000 ] - [ -0.0087884000000000, -0.0024695600000000, 0.0046027500000000 ] - [ -0.0023779600000000, 0.0000000000000000, 0.0054627100000000 ] - [ 0.0010767600000000, 0.0010210200000000, 0.0062524500000000 ] - [ -0.0023740600000000, 0.0000000000000000, 0.0004556900000000 ] - [ 0.0026011300000000, 0.0000000000000000, 0.1414620300000000 ] - [ 0.0011348600000000, -0.0002576000000000, 0.0011093900000000 ] - [ -0.0037911800000000, -0.0049278400000000, -0.0061779900000000 ] - [ -0.0004748900000000, -0.0002682000000000, -0.0015048000000000 ] - [ -0.0001532500000000, 0.0000000000000000, -0.0026859800000000 ] - [ 0.0001009900000000, 0.0003159000000000, -0.0022637600000000 ] - [ -0.0003353700000000, 0.0000000000000000, -0.0028055700000000 ] - [ -0.0004502100000000, 0.0000591100000000, -0.0024831300000000 ] - [ -0.0000456900000000, 0.0000000000000000, -0.0024259000000000 ] - [ -0.0008994400000000, 0.0000000000000000, -0.0037924900000000 ] - [ -0.0003157800000000, 0.0001774200000000, -0.0025882100000000 ] - [ -0.0002912800000000, 0.0000000000000000, -0.0027125600000000 ] - [ -0.0004502100000000, -0.0000591100000000, -0.0024831300000000 ] - [ -0.0000045300000000, 0.0000000000000000, -0.0025572100000000 ] - [ -0.0003157800000000, -0.0001774200000000, -0.0025882100000000 ] - [ -0.0001136800000000, 0.0000016300000000, -0.0025861800000000 ] - [ 0.0002663100000000, 0.0000000000000000, -0.0025225800000000 ] - [ 0.0005458600000000, 0.0000000000000000, -0.0024659900000000 ] - [ -0.0001136800000000, -0.0000016300000000, -0.0025861800000000 ] - [ -0.0003960500000000, -0.0003394500000000, -0.0021506000000000 ] - [ -0.0001477300000000, 0.0000000000000000, -0.0015971600000000 ] - [ -0.0003444800000000, 0.0000000000000000, -0.0025339600000000 ] - [ -0.0003743200000000, 0.0003561400000000, -0.0022220000000000 ] - [ -0.0023507100000000, -0.0005869200000000, 0.0008234400000000 ] - [ 0.0002541000000000, 0.0000000000000000, -0.0034835700000000 ] - [ 0.0003309900000000, 0.0000000000000000, -0.0030546200000000 ] - [ -0.0009171700000000, -0.0002722900000000, -0.0031372800000000 ] - [ 0.0048791600000000, 0.0000000000000000, 0.0079844400000000 ] - [ 0.0043854100000000, -0.0031723300000000, -0.0033665800000000 ] - [ -0.0009171700000000, 0.0002722900000000, -0.0031372800000000 ] - [ -0.0073836600000000, 0.0000000000000000, -0.0054986900000000 ] - [ 0.0066512000000000, -0.0031611700000000, 0.0071415500000000 ] - [ -0.0066354100000000, 0.0000000000000000, 0.0064931100000000 ] - [ -0.0026561200000000, 0.0000000000000000, -0.0004918200000000 ] - [ 0.0020895200000000, 0.0000000000000000, -0.0005972400000000 ] - [ 0.0143756200000000, -0.0224817100000000, 0.0355237400000000 ] - [ 0.0066512000000000, 0.0031611700000000, 0.0071415500000000 ] - [ 0.0045353100000000, 0.0000000000000000, 0.0078212700000000 ] - [ 0.0143756200000000, 0.0224817100000000, 0.0355237400000000 ] - [ 0.0077672200000000, 0.0000000000000000, -0.0061899500000000 ] - [ -0.0004199500000000, 0.0000000000000000, 0.0056835000000000 ] - [ -0.0037911800000000, 0.0049278400000000, -0.0061779900000000 ] - [ 0.0011348600000000, 0.0002576000000000, 0.0011093900000000 ]- atom: 23 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0012190200000000, 0.0000000000000000, -0.0032459400000000 ] - [ 0.0004724500000000, 0.0000000000000000, -0.0039126000000000 ] - [ 0.0000392000000000, -0.0000683700000000, -0.0038122000000000 ] - [ -0.0000305300000000, 0.0000000000000000, -0.0036769000000000 ] - [ 0.0001798300000000, 0.0000363500000000, -0.0028554900000000 ] - [ -0.0002605100000000, -0.0000161500000000, -0.0037659900000000 ] - [ -0.0001848700000000, 0.0000000000000000, -0.0034547900000000 ] - [ -0.0002605100000000, 0.0000161500000000, -0.0037659900000000 ] - [ 0.0002300300000000, 0.0000000000000000, -0.0034343500000000 ] - [ -0.0000771100000000, 0.0000000000000000, -0.0040253700000000 ] - [ 0.0004919800000000, -0.0002303500000000, -0.0040903800000000 ] - [ -0.0021465500000000, 0.0000000000000000, 0.0034129000000000 ] - [ 0.0003158200000000, 0.0000000000000000, -0.0035107000000000 ] - [ -0.0042201700000000, 0.0000000000000000, -0.0044941400000000 ] - [ 0.0004919800000000, 0.0002303500000000, -0.0040903800000000 ] - [ 0.0000796900000000, 0.0000000000000000, -0.0037597400000000 ] - [ 0.0093023300000000, -0.0021497300000000, 0.0028270400000000 ] - [ -0.0207924900000000, 0.0000000000000000, -0.0156676400000000 ] - [ 0.0119129200000000, -0.0151604700000000, -0.0149940900000000 ] - [ -0.0040521500000000, 0.0000000000000000, 0.0201994800000000 ] - [ 0.0093023300000000, 0.0021497300000000, 0.0028270400000000 ] - [ -0.0035065000000000, 0.0000636400000000, 0.0021209500000000 ] - [ 0.0283791500000000, 0.0000000000000000, 0.2547690300000000 ] - [ -0.0035464600000000, 0.0000000000000000, -0.0044418700000000 ] - [ -0.0009062700000000, 0.0000000000000000, -0.0024518500000000 ] - [ -0.0007620100000000, 0.0000000000000000, -0.0034365500000000 ] - [ 0.0001798300000000, -0.0000363500000000, -0.0028554900000000 ] - [ -0.0000682100000000, 0.0000000000000000, -0.0034810300000000 ] - [ 0.0000392000000000, 0.0000683700000000, -0.0038122000000000 ] - [ -0.0003298000000000, -0.0000199100000000, -0.0038506000000000 ] - [ -0.0003178900000000, 0.0000000000000000, -0.0036134200000000 ] - [ -0.0003298000000000, 0.0000199100000000, -0.0038506000000000 ] - [ -0.0001455900000000, 0.0000000000000000, -0.0033644100000000 ] - [ -0.0001807000000000, 0.0000000000000000, -0.0037507800000000 ] - [ -0.0005423800000000, -0.0001807200000000, -0.0032498000000000 ] - [ 0.0039026300000000, 0.0000000000000000, -0.0044866700000000 ] - [ 0.0004449800000000, 0.0000000000000000, -0.0035793200000000 ] - [ 0.0036730900000000, 0.0000000000000000, -0.0061601800000000 ] - [ -0.0005423800000000, 0.0001807200000000, -0.0032498000000000 ] - [ 0.0010142200000000, 0.0000000000000000, -0.0031633700000000 ] - [ -0.0128901000000000, 0.0054191300000000, -0.0010292000000000 ] - [ 0.0029045000000000, 0.0000000000000000, 0.0011768500000000 ] - [ -0.0035065000000000, -0.0000636400000000, 0.0021209500000000 ] - [ -0.0008358400000000, 0.0000000000000000, 0.0338360200000000 ] - [ -0.0128901000000000, -0.0054191300000000, -0.0010292000000000 ] - [ 0.0119129200000000, 0.0151604700000000, -0.0149940900000000 ] - [ -0.0017584900000000, 0.0000000000000000, 0.0118488400000000 ] - [ 0.0037833700000000, 0.0000000000000000, -0.0025108500000000 ] - [ 0.0001144600000000, 0.0000000000000000, -0.0025844500000000 ] - [ 0.0008685200000000, 0.0000000000000000, -0.0119909100000000 ] - [ -0.0059688200000000, 0.0000000000000000, 0.0103354700000000 ] - [ 0.0008370300000000, 0.0000000000000000, -0.0015362200000000 ] - [ -0.0001114300000000, 0.0000000000000000, -0.0027281000000000 ] - [ -0.0002179700000000, 0.0000000000000000, -0.0005624100000000 ] - [ 0.0050969600000000, 0.0000000000000000, 0.0099835000000000 ] - [ -0.0007946300000000, 0.0000000000000000, -0.0030541900000000 ] - [ -0.0001149600000000, 0.0003905500000000, 0.0024776900000000 ] - [ -0.0000776700000000, 0.0000000000000000, 0.0025332700000000 ] - [ 0.0004586800000000, -0.0003426300000000, 0.0017177200000000 ] - [ -0.0010720700000000, 0.0000000000000000, 0.0011808000000000 ] - [ 0.0001284300000000, -0.0002868600000000, 0.0017291300000000 ] - [ -0.0003518500000000, 0.0000000000000000, 0.0021382000000000 ] - [ -0.0009067700000000, 0.0000000000000000, 0.0024701900000000 ] - [ -0.0002326400000000, -0.0001123500000000, 0.0020989100000000 ] - [ -0.0006588600000000, 0.0000000000000000, 0.0019146100000000 ] - [ 0.0001284300000000, 0.0002868600000000, 0.0017291300000000 ] - [ -0.0002452800000000, 0.0000000000000000, 0.0020819400000000 ] - [ -0.0002326400000000, 0.0001123500000000, 0.0020989100000000 ] - [ -0.0001315000000000, 0.0000708200000000, 0.0020499600000000 ] - [ 0.0000310100000000, 0.0000000000000000, 0.0022819900000000 ] - [ -0.0000260500000000, 0.0000000000000000, 0.0026637300000000 ] - [ -0.0001315000000000, -0.0000708200000000, 0.0020499600000000 ] - [ 0.0002700400000000, 0.0000589600000000, 0.0022715500000000 ] - [ -0.0001465400000000, 0.0000000000000000, 0.0032595500000000 ] - [ -0.0004135000000000, 0.0000000000000000, 0.0020291800000000 ] - [ 0.0002921100000000, -0.0000421800000000, 0.0021994900000000 ] - [ -0.0044725800000000, -0.0033115800000000, 0.0036676900000000 ] - [ 0.0004811300000000, 0.0000000000000000, 0.0012162800000000 ] - [ 0.0004127700000000, 0.0000000000000000, 0.0024696300000000 ] - [ -0.0009835100000000, -0.0000578100000000, 0.0017605200000000 ] - [ 0.0057769400000000, 0.0000000000000000, -0.0050429600000000 ] - [ 0.0023292900000000, -0.0005117200000000, -0.0005486900000000 ] - [ -0.0009835100000000, 0.0000578100000000, 0.0017605200000000 ] - [ -0.0030530700000000, 0.0000000000000000, -0.0015431400000000 ] - [ 0.0087785100000000, -0.0021301100000000, -0.0041811800000000 ] - [ 0.0086383500000000, 0.0000000000000000, -0.0302683100000000 ] - [ -0.0013240400000000, 0.0000000000000000, -0.0026578200000000 ] - [ 0.0021179600000000, 0.0000000000000000, 0.0009069900000000 ] - [ -0.0010566400000000, 0.0013770500000000, -0.0053426300000000 ] - [ 0.0087785100000000, 0.0021301100000000, -0.0041811800000000 ] - [ 0.0024975500000000, 0.0000000000000000, -0.0043392000000000 ] - [ -0.0010566400000000, -0.0013770500000000, -0.0053426300000000 ] - [ 0.0024847500000000, 0.0000000000000000, 0.0002163300000000 ] - [ -0.0024371000000000, 0.0000000000000000, -0.1318544000000000 ] - [ -0.0012772800000000, 0.0005051600000000, -0.0001431600000000 ] - [ 0.0036649100000000, 0.0046927100000000, 0.0071413800000000 ] - [ 0.0004586800000000, 0.0003426300000000, 0.0017177200000000 ] - [ -0.0000512300000000, 0.0000000000000000, 0.0021679200000000 ] - [ -0.0001149600000000, -0.0003905500000000, 0.0024776900000000 ] - [ -0.0003498500000000, 0.0000000000000000, 0.0017793700000000 ] - [ 0.0001889400000000, -0.0002861300000000, 0.0018175000000000 ] - [ -0.0003457300000000, 0.0000000000000000, 0.0024469700000000 ] - [ 0.0004605400000000, 0.0000000000000000, 0.0036606000000000 ] - [ 0.0001478500000000, -0.0001639600000000, 0.0022602100000000 ] - [ -0.0006125400000000, 0.0000000000000000, 0.0019744000000000 ] - [ 0.0001889400000000, 0.0002861300000000, 0.0018175000000000 ] - [ -0.0001568700000000, 0.0000000000000000, 0.0021029000000000 ] - [ 0.0001478500000000, 0.0001639600000000, 0.0022602100000000 ] - [ 0.0000654800000000, 0.0000827900000000, 0.0024770300000000 ] - [ 0.0001285400000000, 0.0000000000000000, 0.0023649200000000 ] - [ 0.0000318200000000, 0.0000000000000000, 0.0026877000000000 ] - [ 0.0000654800000000, -0.0000827900000000, 0.0024770300000000 ] - [ 0.0002921100000000, 0.0000421800000000, 0.0021994900000000 ] - [ 0.0000443700000000, 0.0000000000000000, 0.0017194700000000 ] - [ -0.0000174100000000, 0.0000000000000000, 0.0018516500000000 ] - [ 0.0002700400000000, -0.0000589600000000, 0.0022715500000000 ] - [ 0.0023292900000000, 0.0005117200000000, -0.0005486900000000 ] - [ 0.0000117900000000, 0.0000000000000000, 0.0030066700000000 ] - [ 0.0000091100000000, 0.0000000000000000, 0.0026176300000000 ] - [ 0.0007474600000000, 0.0002148700000000, 0.0021251800000000 ] - [ -0.0046304700000000, 0.0000000000000000, -0.0077283300000000 ] - [ -0.0044725800000000, 0.0033115800000000, 0.0036676900000000 ] - [ 0.0007474600000000, -0.0002148700000000, 0.0021251800000000 ] - [ 0.0071003400000000, 0.0000000000000000, 0.0051387200000000 ] - [ -0.0065936200000000, 0.0034756700000000, -0.0067022900000000 ] - [ 0.0073853600000000, 0.0000000000000000, -0.0062108200000000 ] - [ 0.0027858900000000, 0.0000000000000000, 0.0001425800000000 ] - [ -0.0021731300000000, 0.0000000000000000, 0.0013490100000000 ] - [ -0.0147695100000000, 0.0235717000000000, -0.0345918400000000 ] - [ -0.0065936200000000, -0.0034756700000000, -0.0067022900000000 ] - [ -0.0043790200000000, 0.0000000000000000, -0.0066765600000000 ] - [ -0.0147695100000000, -0.0235717000000000, -0.0345918400000000 ] - [ -0.0076731200000000, 0.0000000000000000, 0.0068779100000000 ] - [ 0.0008133500000000, 0.0000000000000000, -0.0055817200000000 ] - [ 0.0036649100000000, -0.0046927100000000, 0.0071413800000000 ] - [ -0.0012772800000000, -0.0005051600000000, -0.0001431600000000 ]- atom: 24 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0153028800000000, 0.0000000000000000, -0.0080689500000000 ] - [ 0.0048661000000000, 0.0000000000000000, -0.0043979200000000 ] - [ -0.0054745300000000, -0.0004073800000000, -0.0062902800000000 ] - [ -0.0002359300000000, 0.0000000000000000, -0.0016097400000000 ] - [ 0.0063071600000000, -0.0004131500000000, 0.0020254900000000 ] - [ 0.0003206200000000, 0.0000374300000000, -0.0000697100000000 ] - [ 0.0015944200000000, 0.0000000000000000, 0.0001121000000000 ] - [ 0.0003206200000000, -0.0000374300000000, -0.0000697100000000 ] - [ 0.0007362300000000, 0.0000000000000000, -0.0015508500000000 ] - [ -0.0000580400000000, 0.0000000000000000, 0.0000093400000000 ] - [ 0.0000354600000000, -0.0000767000000000, -0.0003576400000000 ] - [ 0.0010365200000000, 0.0000000000000000, -0.0011021300000000 ] - [ 0.0002802100000000, 0.0000000000000000, -0.0001796200000000 ] - [ 0.0003211800000000, 0.0000000000000000, -0.0002988700000000 ] - [ 0.0000354600000000, 0.0000767000000000, -0.0003576400000000 ] - [ 0.0003312600000000, 0.0000000000000000, -0.0001242200000000 ] - [ -0.0007968300000000, -0.0001578100000000, -0.0005735500000000 ] - [ -0.0251057500000000, 0.0000000000000000, 0.0089574400000000 ] - [ 0.0154796500000000, 0.0080805900000000, 0.0120540700000000 ] - [ 0.0001531200000000, 0.0000000000000000, -0.0029178200000000 ] - [ -0.0007968300000000, 0.0001578100000000, -0.0005735500000000 ] - [ 0.0156314500000000, -0.0173049800000000, -0.0159087800000000 ] - [ -0.0019928800000000, 0.0000000000000000, 0.0043249000000000 ] - [ -0.2608812500000000, 0.0000000000000000, 0.0040185700000000 ] - [ -0.0045042500000000, 0.0000000000000000, 0.0083828600000000 ] - [ -0.0046349100000000, 0.0000000000000000, 0.0121105500000000 ] - [ 0.0063071600000000, 0.0004131500000000, 0.0020254900000000 ] - [ 0.0000113300000000, 0.0000000000000000, 0.0009211900000000 ] - [ -0.0054745300000000, 0.0004073800000000, -0.0062902800000000 ] - [ -0.0003364400000000, -0.0000016300000000, 0.0000624100000000 ] - [ -0.0012252400000000, 0.0000000000000000, 0.0000659800000000 ] - [ -0.0003364400000000, 0.0000016300000000, 0.0000624100000000 ] - [ -0.0017457700000000, 0.0000000000000000, 0.0016625300000000 ] - [ 0.0000585400000000, 0.0000000000000000, -0.0000682100000000 ] - [ 0.0001641700000000, -0.0000751100000000, -0.0003932100000000 ] - [ -0.0011015800000000, 0.0000000000000000, 0.0009906900000000 ] - [ 0.0003163600000000, 0.0000000000000000, -0.0000592200000000 ] - [ -0.0002075200000000, 0.0000000000000000, -0.0003711300000000 ] - [ 0.0001641700000000, 0.0000751100000000, -0.0003932100000000 ] - [ 0.0003768700000000, 0.0000000000000000, -0.0002101400000000 ] - [ 0.0012220300000000, -0.0000280300000000, 0.0004140800000000 ] - [ 0.0132397800000000, 0.0000000000000000, 0.0013404600000000 ] - [ 0.0156314500000000, 0.0173049800000000, -0.0159087800000000 ] - [ 0.0042868900000000, 0.0000000000000000, 0.0040134400000000 ] - [ 0.0012220300000000, 0.0000280300000000, 0.0004140800000000 ] - [ 0.0154796500000000, -0.0080805900000000, 0.0120540700000000 ] - [ 0.0015328800000000, 0.0000000000000000, -0.0036022900000000 ] - [ 0.0091506100000000, 0.0000000000000000, 0.0005710400000000 ] - [ -0.0000634500000000, 0.0000000000000000, -0.0002182900000000 ] - [ -0.0001816400000000, 0.0000000000000000, 0.0001953600000000 ] - [ -0.0104433900000000, 0.0000000000000000, 0.0006893400000000 ] - [ -0.0000153800000000, 0.0000000000000000, -0.0004245300000000 ] - [ -0.0001043200000000, 0.0000000000000000, -0.0002152800000000 ] - [ 0.0001894800000000, 0.0000000000000000, -0.0001695300000000 ] - [ 0.0038345000000000, 0.0000000000000000, 0.0001305700000000 ] - [ -0.0000138000000000, 0.0000000000000000, -0.0001043300000000 ] - [ -0.0027413700000000, 0.0030107100000000, 0.0057911800000000 ] - [ 0.0013680300000000, 0.0000000000000000, 0.0021217400000000 ] - [ -0.0033155900000000, -0.0015296900000000, -0.0062204600000000 ] - [ -0.0053168200000000, 0.0000000000000000, 0.0004595600000000 ] - [ -0.0006770600000000, -0.0001571700000000, -0.0006436600000000 ] - [ -0.0019491800000000, 0.0000000000000000, -0.0023727500000000 ] - [ -0.0047922500000000, 0.0000000000000000, -0.0004585600000000 ] - [ -0.0021357900000000, 0.0001306200000000, 0.0008302000000000 ] - [ -0.0005565700000000, 0.0000000000000000, -0.0003814400000000 ] - [ -0.0006770600000000, 0.0001571700000000, -0.0006436600000000 ] - [ -0.0003874900000000, 0.0000000000000000, 0.0001298200000000 ] - [ -0.0021357900000000, -0.0001306200000000, 0.0008302000000000 ] - [ -0.0000453400000000, 0.0000436300000000, -0.0000366500000000 ] - [ 0.0001082600000000, 0.0000000000000000, -0.0001053100000000 ] - [ 0.0000727300000000, 0.0000000000000000, 0.0003748800000000 ] - [ -0.0000453400000000, -0.0000436300000000, -0.0000366500000000 ] - [ -0.0000318400000000, -0.0001561100000000, -0.0000308300000000 ] - [ -0.0000072600000000, 0.0000000000000000, 0.0000263100000000 ] - [ -0.0001646100000000, 0.0000000000000000, -0.0003506000000000 ] - [ -0.0000734500000000, 0.0001400900000000, 0.0000840800000000 ] - [ 0.0003723000000000, -0.0000674900000000, 0.0000892700000000 ] - [ 0.0000711000000000, 0.0000000000000000, -0.0001889100000000 ] - [ 0.0001593400000000, 0.0000000000000000, -0.0002140400000000 ] - [ -0.0000346900000000, -0.0000339700000000, -0.0004511400000000 ] - [ -0.0010216000000000, 0.0000000000000000, 0.0001010500000000 ] - [ -0.0003838800000000, 0.0000674700000000, 0.0002716400000000 ] - [ -0.0000346900000000, 0.0000339700000000, -0.0004511400000000 ] - [ 0.0001107400000000, 0.0000000000000000, 0.0000645700000000 ] - [ 0.0084928500000000, -0.0042517100000000, 0.0042067100000000 ] - [ 0.0023464400000000, 0.0000000000000000, 0.0010074500000000 ] - [ 0.0002902700000000, 0.0000000000000000, 0.0003440300000000 ] - [ 0.0059451800000000, 0.0000000000000000, 0.0030647600000000 ] - [ 0.0001570000000000, -0.0000275100000000, 0.0018861200000000 ] - [ 0.0084928500000000, 0.0042517100000000, 0.0042067100000000 ] - [ -0.0012012600000000, 0.0000000000000000, 0.0029246600000000 ] - [ 0.0001570000000000, 0.0000275100000000, 0.0018861200000000 ] - [ 0.1233196800000000, 0.0000000000000000, -0.0400503800000000 ] - [ -0.0012219800000000, 0.0000000000000000, -0.0078597300000000 ] - [ -0.0095974800000000, 0.0020919900000000, 0.0001516700000000 ] - [ 0.0488000600000000, 0.0425224200000000, 0.0193549000000000 ] - [ -0.0033155900000000, 0.0015296900000000, -0.0062204600000000 ] - [ -0.0015008600000000, 0.0000000000000000, -0.0026616900000000 ] - [ -0.0027413700000000, -0.0030107100000000, 0.0057911800000000 ] - [ 0.0061915600000000, 0.0000000000000000, -0.0003347100000000 ] - [ 0.0003061600000000, -0.0000206600000000, -0.0000398000000000 ] - [ 0.0020591100000000, 0.0000000000000000, 0.0005544900000000 ] - [ 0.0220228800000000, 0.0000000000000000, -0.0006577300000000 ] - [ 0.0018836800000000, -0.0005570500000000, -0.0001780800000000 ] - [ -0.0003490300000000, 0.0000000000000000, -0.0003554200000000 ] - [ 0.0003061600000000, 0.0000206600000000, -0.0000398000000000 ] - [ 0.0002535400000000, 0.0000000000000000, -0.0005165700000000 ] - [ 0.0018836800000000, 0.0005570500000000, -0.0001780800000000 ] - [ -0.0000038700000000, 0.0000409200000000, -0.0000736400000000 ] - [ 0.0002889500000000, 0.0000000000000000, -0.0000733900000000 ] - [ 0.0005884400000000, 0.0000000000000000, -0.0001581800000000 ] - [ -0.0000038700000000, -0.0000409200000000, -0.0000736400000000 ] - [ -0.0000734500000000, -0.0001400900000000, 0.0000840800000000 ] - [ -0.0000937300000000, 0.0000000000000000, 0.0001057200000000 ] - [ -0.0002005100000000, 0.0000000000000000, -0.0003313900000000 ] - [ -0.0000318400000000, 0.0001561100000000, -0.0000308300000000 ] - [ -0.0003838800000000, -0.0000674700000000, 0.0002716400000000 ] - [ 0.0001927500000000, 0.0000000000000000, -0.0002766800000000 ] - [ 0.0001817700000000, 0.0000000000000000, -0.0002178800000000 ] - [ -0.0001494800000000, -0.0000311100000000, -0.0005657300000000 ] - [ 0.0014693700000000, 0.0000000000000000, 0.0002180800000000 ] - [ 0.0003723000000000, 0.0000674900000000, 0.0000892700000000 ] - [ -0.0001494800000000, 0.0000311100000000, -0.0005657300000000 ] - [ -0.0005485600000000, 0.0000000000000000, -0.0005619700000000 ] - [ -0.0046144400000000, -0.0002714000000000, -0.0012786900000000 ] - [ -0.0014627600000000, 0.0000000000000000, 0.0004823300000000 ] - [ -0.0003037200000000, 0.0000000000000000, -0.0006067300000000 ] - [ -0.0112540800000000, 0.0000000000000000, -0.0024007200000000 ] - [ -0.0004684700000000, 0.0001738300000000, -0.0015645100000000 ] - [ -0.0046144400000000, 0.0002714000000000, -0.0012786900000000 ] - [ -0.0029865200000000, 0.0000000000000000, -0.0068935100000000 ] - [ -0.0004684700000000, -0.0001738300000000, -0.0015645100000000 ] - [ -0.0065965300000000, 0.0000000000000000, 0.0002179200000000 ] - [ -0.0068129600000000, 0.0000000000000000, 0.0079367200000000 ] - [ 0.0488000600000000, -0.0425224200000000, 0.0193549000000000 ] - [ -0.0095974800000000, -0.0020919900000000, 0.0001516700000000 ]- atom: 24 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0151389900000000, 0.0000000000000000, 0.0087635300000000 ] - [ -0.0050003600000000, 0.0000000000000000, 0.0036572200000000 ] - [ 0.0057588700000000, 0.0004389000000000, 0.0061575000000000 ] - [ 0.0000163100000000, 0.0000000000000000, 0.0009047800000000 ] - [ -0.0061348500000000, 0.0003351900000000, -0.0020726800000000 ] - [ -0.0003563500000000, -0.0000284100000000, 0.0000924900000000 ] - [ -0.0017922900000000, 0.0000000000000000, 0.0000716400000000 ] - [ -0.0003563500000000, 0.0000284100000000, 0.0000924900000000 ] - [ -0.0009160300000000, 0.0000000000000000, 0.0016919500000000 ] - [ 0.0000522100000000, 0.0000000000000000, -0.0000522700000000 ] - [ 0.0001609800000000, -0.0000707600000000, -0.0003769000000000 ] - [ -0.0009470800000000, 0.0000000000000000, 0.0006871200000000 ] - [ 0.0003264600000000, 0.0000000000000000, -0.0000422000000000 ] - [ -0.0002642500000000, 0.0000000000000000, -0.0003540700000000 ] - [ 0.0001609800000000, 0.0000707600000000, -0.0003769000000000 ] - [ 0.0003781600000000, 0.0000000000000000, -0.0002007700000000 ] - [ 0.0009122400000000, 0.0002436600000000, 0.0005867200000000 ] - [ 0.0247386100000000, 0.0000000000000000, -0.0082919300000000 ] - [ -0.0156424200000000, -0.0079922600000000, -0.0112339400000000 ] - [ 0.0002518000000000, 0.0000000000000000, 0.0040119000000000 ] - [ 0.0009122400000000, -0.0002436600000000, 0.0005867200000000 ] - [ -0.0157854000000000, 0.0170716000000000, 0.0167407600000000 ] - [ 0.0023910600000000, 0.0000000000000000, -0.0035427400000000 ] - [ 0.2537588300000000, 0.0000000000000000, 0.0015934100000000 ] - [ 0.0046658900000000, 0.0000000000000000, -0.0077928200000000 ] - [ 0.0043826200000000, 0.0000000000000000, -0.0128300300000000 ] - [ -0.0061348500000000, -0.0003351900000000, -0.0020726800000000 ] - [ -0.0002488000000000, 0.0000000000000000, -0.0016193000000000 ] - [ 0.0057588700000000, -0.0004389000000000, 0.0061575000000000 ] - [ 0.0002985000000000, 0.0000103100000000, -0.0000468800000000 ] - [ 0.0010347400000000, 0.0000000000000000, 0.0000849900000000 ] - [ 0.0002985000000000, -0.0000103100000000, -0.0000468800000000 ] - [ 0.0015183900000000, 0.0000000000000000, -0.0015361200000000 ] - [ -0.0000630700000000, 0.0000000000000000, 0.0000266300000000 ] - [ 0.0000326000000000, -0.0000724400000000, -0.0003413600000000 ] - [ 0.0011950600000000, 0.0000000000000000, -0.0014034200000000 ] - [ 0.0002864800000000, 0.0000000000000000, -0.0001615700000000 ] - [ 0.0002637000000000, 0.0000000000000000, -0.0002807300000000 ] - [ 0.0000326000000000, 0.0000724400000000, -0.0003413600000000 ] - [ 0.0003317800000000, 0.0000000000000000, -0.0001141300000000 ] - [ -0.0011018300000000, 0.0001142900000000, -0.0004052700000000 ] - [ -0.0135539200000000, 0.0000000000000000, -0.0008279900000000 ] - [ -0.0157854000000000, -0.0170716000000000, 0.0167407600000000 ] - [ -0.0038633400000000, 0.0000000000000000, -0.0029383100000000 ] - [ -0.0011018300000000, -0.0001142900000000, -0.0004052700000000 ] - [ -0.0156424200000000, 0.0079922600000000, -0.0112339400000000 ] - [ -0.0011412100000000, 0.0000000000000000, 0.0043645900000000 ] - [ -0.0090834400000000, 0.0000000000000000, -0.0008432600000000 ] - [ -0.0001048200000000, 0.0000000000000000, -0.0002029800000000 ] - [ 0.0002398500000000, 0.0000000000000000, -0.0001572800000000 ] - [ 0.0106988800000000, 0.0000000000000000, 0.0004264000000000 ] - [ -0.0000066300000000, 0.0000000000000000, -0.0000925400000000 ] - [ -0.0000633500000000, 0.0000000000000000, -0.0002072200000000 ] - [ -0.0001323200000000, 0.0000000000000000, 0.0002070400000000 ] - [ -0.0035720800000000, 0.0000000000000000, 0.0008810100000000 ] - [ -0.0000075700000000, 0.0000000000000000, -0.0004128000000000 ] - [ 0.0027139800000000, -0.0029814500000000, -0.0056318600000000 ] - [ -0.0016004800000000, 0.0000000000000000, -0.0026564500000000 ] - [ 0.0033020400000000, 0.0014352300000000, 0.0063891500000000 ] - [ 0.0046393000000000, 0.0000000000000000, -0.0014943300000000 ] - [ 0.0004154700000000, -0.0000687800000000, -0.0000347800000000 ] - [ 0.0015650500000000, 0.0000000000000000, 0.0023714400000000 ] - [ 0.0043535100000000, 0.0000000000000000, 0.0003304000000000 ] - [ 0.0019678400000000, -0.0001140700000000, -0.0011760700000000 ] - [ -0.0003440200000000, 0.0000000000000000, -0.0003697400000000 ] - [ 0.0004154700000000, 0.0000687800000000, -0.0000347800000000 ] - [ 0.0002191000000000, 0.0000000000000000, -0.0005932900000000 ] - [ 0.0019678400000000, 0.0001140700000000, -0.0011760700000000 ] - [ -0.0000032900000000, 0.0000407100000000, -0.0000841400000000 ] - [ 0.0002866900000000, 0.0000000000000000, -0.0000674500000000 ] - [ 0.0005019400000000, 0.0000000000000000, -0.0001647100000000 ] - [ -0.0000032900000000, -0.0000407100000000, -0.0000841400000000 ] - [ -0.0000725200000000, -0.0001431900000000, 0.0000697400000000 ] - [ -0.0000965500000000, 0.0000000000000000, 0.0000957000000000 ] - [ -0.0001993900000000, 0.0000000000000000, -0.0003405100000000 ] - [ -0.0000333900000000, 0.0001587700000000, -0.0000465600000000 ] - [ -0.0004147400000000, -0.0000203200000000, 0.0002074100000000 ] - [ 0.0001941200000000, 0.0000000000000000, -0.0003003700000000 ] - [ 0.0001817800000000, 0.0000000000000000, -0.0002299600000000 ] - [ -0.0001431200000000, -0.0000279500000000, -0.0005692000000000 ] - [ 0.0012402800000000, 0.0000000000000000, 0.0002115600000000 ] - [ 0.0003419100000000, 0.0000204000000000, 0.0000270100000000 ] - [ -0.0001431200000000, 0.0000279500000000, -0.0005692000000000 ] - [ -0.0004970700000000, 0.0000000000000000, -0.0004656800000000 ] - [ -0.0084189100000000, 0.0045651600000000, -0.0037921100000000 ] - [ -0.0015287700000000, 0.0000000000000000, -0.0007234900000000 ] - [ -0.0001610400000000, 0.0000000000000000, -0.0006183200000000 ] - [ -0.0059875300000000, 0.0000000000000000, -0.0022905000000000 ] - [ -0.0001658600000000, 0.0004015100000000, -0.0009786700000000 ] - [ -0.0084189100000000, -0.0045651600000000, -0.0037921100000000 ] - [ 0.0013485700000000, 0.0000000000000000, -0.0018016700000000 ] - [ -0.0001658600000000, -0.0004015100000000, -0.0009786700000000 ] - [ -0.1158182600000000, 0.0000000000000000, 0.0370749700000000 ] - [ 0.0015755800000000, 0.0000000000000000, 0.0078577900000000 ] - [ 0.0094782300000000, -0.0018443800000000, 0.0008422600000000 ] - [ -0.0490848100000000, -0.0441209300000000, -0.0190755100000000 ] - [ 0.0033020400000000, -0.0014352300000000, 0.0063891500000000 ] - [ 0.0013057400000000, 0.0000000000000000, 0.0021203100000000 ] - [ 0.0027139800000000, 0.0029814500000000, -0.0056318600000000 ] - [ -0.0068828600000000, 0.0000000000000000, -0.0006462400000000 ] - [ -0.0005720200000000, -0.0002082700000000, -0.0006297100000000 ] - [ -0.0024883900000000, 0.0000000000000000, -0.0005188000000000 ] - [ -0.0224356800000000, 0.0000000000000000, 0.0000008300000000 ] - [ -0.0020260200000000, 0.0005530300000000, -0.0001144800000000 ] - [ -0.0005516200000000, 0.0000000000000000, -0.0003923200000000 ] - [ -0.0005720200000000, 0.0002082700000000, -0.0006297100000000 ] - [ -0.0004117100000000, 0.0000000000000000, 0.0000609100000000 ] - [ -0.0020260200000000, -0.0005530300000000, -0.0001144800000000 ] - [ -0.0000448400000000, 0.0000434400000000, -0.0000465700000000 ] - [ 0.0001058800000000, 0.0000000000000000, -0.0000961600000000 ] - [ -0.0000075300000000, 0.0000000000000000, 0.0003748200000000 ] - [ -0.0000448400000000, -0.0000434400000000, -0.0000465700000000 ] - [ -0.0000333900000000, -0.0001587700000000, -0.0000465600000000 ] - [ -0.0000099800000000, 0.0000000000000000, 0.0000162500000000 ] - [ -0.0001639500000000, 0.0000000000000000, -0.0003596600000000 ] - [ -0.0000725200000000, 0.0001431900000000, 0.0000697400000000 ] - [ 0.0003419100000000, -0.0000204000000000, 0.0000270100000000 ] - [ 0.0000724000000000, 0.0000000000000000, -0.0002126900000000 ] - [ 0.0001600100000000, 0.0000000000000000, -0.0002256800000000 ] - [ -0.0000287000000000, -0.0000308800000000, -0.0004544800000000 ] - [ -0.0012512800000000, 0.0000000000000000, 0.0000869500000000 ] - [ -0.0004147400000000, 0.0000203200000000, 0.0002074100000000 ] - [ -0.0000287000000000, 0.0000308800000000, -0.0004544800000000 ] - [ 0.0001611900000000, 0.0000000000000000, 0.0001615300000000 ] - [ 0.0046499800000000, 0.0006060700000000, 0.0017141300000000 ] - [ 0.0022816100000000, 0.0000000000000000, -0.0001919200000000 ] - [ 0.0004308000000000, 0.0000000000000000, 0.0003321600000000 ] - [ 0.0112605800000000, 0.0000000000000000, 0.0032290700000000 ] - [ 0.0004510300000000, 0.0002036600000000, 0.0024705000000000 ] - [ 0.0046499800000000, -0.0006060700000000, 0.0017141300000000 ] - [ 0.0030800500000000, 0.0000000000000000, 0.0080076100000000 ] - [ 0.0004510300000000, -0.0002036600000000, 0.0024705000000000 ] - [ 0.0066700000000000, 0.0000000000000000, 0.0004896000000000 ] - [ 0.0072614100000000, 0.0000000000000000, -0.0079026600000000 ] - [ -0.0490848100000000, 0.0441209300000000, -0.0190755100000000 ] - [ 0.0094782300000000, 0.0018443800000000, 0.0008422600000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001699000000000, -0.0048730800000000, 0.0002747200000000 ] - [ -0.0000684800000000, 0.0029163100000000, -0.0003917500000000 ] - [ 0.0009485600000000, 0.0006000000000000, 0.0078759600000000 ] - [ -0.0001134900000000, -0.0000552900000000, -0.0003495200000000 ] - [ 0.0010244900000000, -0.0001126500000000, 0.0004951100000000 ] - [ -0.0000074900000000, 0.0000035100000000, 0.0000213600000000 ] - [ -0.0000982000000000, 0.0002256600000000, 0.0000848800000000 ] - [ -0.0000294100000000, -0.0000041100000000, -0.0000018300000000 ] - [ -0.0000941900000000, -0.0004803800000000, 0.0000624100000000 ] - [ -0.0000027000000000, 0.0000051400000000, -0.0000207300000000 ] - [ 0.0000966800000000, -0.0000734600000000, -0.0003687400000000 ] - [ 0.0000473600000000, 0.0003088500000000, -0.0002085600000000 ] - [ 0.0003025600000000, -0.0000050000000000, -0.0001102700000000 ] - [ 0.0000287300000000, 0.0000330200000000, -0.0003261300000000 ] - [ 0.0000998300000000, 0.0000740100000000, -0.0003657700000000 ] - [ 0.0003544200000000, 0.0000036200000000, -0.0001622600000000 ] - [ -0.0001136300000000, 0.0000424500000000, -0.0002177600000000 ] - [ -0.0002234000000000, 0.0451088400000000, 0.0001417200000000 ] - [ 0.0174117800000000, 0.0015293800000000, 0.0107791700000000 ] - [ 0.0002034400000000, 0.0035291300000000, 0.0005376200000000 ] - [ 0.0002279900000000, -0.0000434600000000, 0.0002273800000000 ] - [ -0.0077675000000000, 0.0010349900000000, 0.0022970700000000 ] - [ 0.0001935400000000, -0.0002878400000000, 0.0003912900000000 ] - [ 0.0035578600000000, -0.2488931300000000, 0.0028225700000000 ] - [ 0.0002442600000000, 0.0152846000000000, 0.0003658900000000 ] - [ -0.0001063900000000, -0.0024074300000000, -0.0004273900000000 ] - [ -0.0008468600000000, -0.0000358500000000, -0.0005659800000000 ] - [ -0.0001134300000000, 0.0000249000000000, -0.0003523000000000 ] - [ -0.0008260500000000, 0.0006822600000000, -0.0079009000000000 ] - [ 0.0000032500000000, 0.0000045000000000, 0.0000338400000000 ] - [ -0.0001051500000000, 0.0002912400000000, 0.0000820600000000 ] - [ -0.0000413800000000, -0.0000037200000000, -0.0000136100000000 ] - [ -0.0000957700000000, -0.0003487200000000, 0.0000725900000000 ] - [ -0.0000026100000000, 0.0000029900000000, -0.0000209000000000 ] - [ 0.0000964800000000, -0.0000737100000000, -0.0003692800000000 ] - [ 0.0000439000000000, 0.0001554700000000, -0.0002052300000000 ] - [ 0.0003027600000000, -0.0000053700000000, -0.0001102700000000 ] - [ 0.0000278000000000, 0.0000252000000000, -0.0003262900000000 ] - [ 0.0001003600000000, 0.0000738400000000, -0.0003653600000000 ] - [ 0.0003545100000000, 0.0000029200000000, -0.0001623600000000 ] - [ -0.0000392000000000, 0.0000397500000000, -0.0000462200000000 ] - [ -0.0001204100000000, 0.0006226000000000, 0.0002875500000000 ] - [ 0.0075955600000000, 0.0011118000000000, -0.0014068800000000 ] - [ 0.0002089000000000, 0.0004825400000000, 0.0005485400000000 ] - [ 0.0001604300000000, -0.0000469400000000, 0.0000590400000000 ] - [ -0.0176030800000000, 0.0013360800000000, -0.0098496500000000 ] - [ 0.0002002800000000, -0.0005614600000000, 0.0003836200000000 ] - [ 0.0000451300000000, -0.0004044700000000, -0.0001353800000000 ] - [ -0.0000840500000000, -0.0000034500000000, -0.0002108000000000 ] - [ 0.0000285700000000, -0.0000230000000000, 0.0000190200000000 ] - [ 0.0001307300000000, -0.0067765100000000, 0.0005494100000000 ] - [ -0.0000108500000000, 0.0000004800000000, -0.0002589300000000 ] - [ -0.0000840500000000, -0.0000036900000000, -0.0002106600000000 ] - [ 0.0000291600000000, -0.0000333300000000, 0.0000183800000000 ] - [ 0.0001386900000000, -0.0000514800000000, 0.0005115900000000 ] - [ -0.0000108200000000, -0.0000004500000000, -0.0002583400000000 ] - [ 0.0021937800000000, -0.0006750200000000, -0.0028230200000000 ] - [ -0.0000890000000000, -0.0004943000000000, -0.0002738500000000 ] - [ -0.0022767700000000, -0.0002567000000000, -0.0018638400000000 ] - [ -0.0003461200000000, 0.0007197300000000, -0.0005070200000000 ] - [ -0.0000774200000000, -0.0001007600000000, -0.0003702000000000 ] - [ -0.0001963600000000, -0.0005269800000000, 0.0000082900000000 ] - [ -0.0002234200000000, -0.0006339400000000, -0.0000600700000000 ] - [ 0.0003678100000000, -0.0000909100000000, -0.0006514100000000 ] - [ -0.0004503700000000, -0.0000016500000000, -0.0003746800000000 ] - [ -0.0001857100000000, 0.0001261100000000, -0.0003028400000000 ] - [ -0.0000814400000000, -0.0000313100000000, -0.0002310600000000 ] - [ -0.0005375000000000, -0.0001084500000000, 0.0003220800000000 ] - [ -0.0000243500000000, 0.0000419200000000, -0.0000601900000000 ] - [ 0.0001971700000000, 0.0000012200000000, -0.0000850900000000 ] - [ 0.0002879400000000, 0.0000345300000000, 0.0001078000000000 ] - [ -0.0000244700000000, -0.0000423300000000, -0.0000599800000000 ] - [ -0.0000533000000000, -0.0001490500000000, 0.0000123400000000 ] - [ -0.0000518000000000, 0.0000013900000000, 0.0000612800000000 ] - [ -0.0001821000000000, -0.0000004700000000, -0.0003453400000000 ] - [ -0.0000536400000000, 0.0001490100000000, 0.0000231100000000 ] - [ -0.0000243200000000, -0.0000529800000000, 0.0001930700000000 ] - [ 0.0001325000000000, -0.0000040100000000, -0.0002446100000000 ] - [ 0.0001707200000000, -0.0000004800000000, -0.0002222300000000 ] - [ -0.0000900800000000, -0.0000320300000000, -0.0005051600000000 ] - [ 0.0001070100000000, -0.0000256600000000, 0.0001550300000000 ] - [ 0.0000211700000000, 0.0000297600000000, 0.0001010500000000 ] - [ -0.0000877800000000, 0.0000298500000000, -0.0005147700000000 ] - [ -0.0001929300000000, 0.0000349800000000, -0.0001998600000000 ] - [ -0.0047851100000000, -0.0014637100000000, 0.0047060400000000 ] - [ 0.0004111200000000, -0.0004570300000000, 0.0001436500000000 ] - [ 0.0000645100000000, -0.0000791100000000, -0.0001362600000000 ] - [ -0.0001061500000000, -0.0102789300000000, 0.0004276900000000 ] - [ -0.0003679800000000, 0.0001628300000000, 0.0010657000000000 ] - [ 0.0048227900000000, -0.0018189900000000, -0.0042761200000000 ] - [ 0.0000581500000000, -0.0010653700000000, 0.0005693900000000 ] - [ 0.0003552900000000, -0.0002120100000000, -0.0001527800000000 ] - [ -0.0002998100000000, 0.0210526800000000, 0.0004731900000000 ] - [ 0.0001909200000000, -0.0085626900000000, -0.0000165600000000 ] - [ -0.0005499700000000, 0.0003654000000000, 0.0003405800000000 ] - [ 0.0392167100000000, 0.0858655700000000, 0.0320556800000000 ] - [ 0.0022400100000000, -0.0002228000000000, 0.0020623000000000 ] - [ -0.0001041400000000, 0.0005877000000000, -0.0002651400000000 ] - [ -0.0021986200000000, -0.0007824300000000, 0.0030443000000000 ] - [ -0.0003220400000000, -0.0092903800000000, -0.0005918000000000 ] - [ -0.0001101300000000, -0.0001057900000000, -0.0003881300000000 ] - [ -0.0002052600000000, 0.0001875200000000, 0.0000257300000000 ] - [ -0.0002268300000000, 0.0183995300000000, -0.0003313700000000 ] - [ -0.0009545800000000, 0.0004156300000000, -0.0013206600000000 ] - [ -0.0004502300000000, -0.0000051000000000, -0.0003745600000000 ] - [ -0.0001510200000000, 0.0001225400000000, -0.0002839000000000 ] - [ -0.0000824200000000, -0.0000858500000000, -0.0002317700000000 ] - [ 0.0007908900000000, 0.0004403900000000, 0.0009923100000000 ] - [ -0.0000244400000000, 0.0000418500000000, -0.0000603900000000 ] - [ 0.0001975500000000, 0.0000023400000000, -0.0000851200000000 ] - [ 0.0002892900000000, 0.0001023700000000, 0.0001065000000000 ] - [ -0.0000244200000000, -0.0000424400000000, -0.0000599500000000 ] - [ -0.0000517300000000, -0.0001496800000000, 0.0000155900000000 ] - [ -0.0000519600000000, 0.0000018100000000, 0.0000613400000000 ] - [ -0.0001821100000000, 0.0000000800000000, -0.0003452900000000 ] - [ -0.0000520800000000, 0.0001496400000000, 0.0000260100000000 ] - [ -0.0000648700000000, -0.0000581700000000, 0.0001971000000000 ] - [ 0.0001327200000000, -0.0000036100000000, -0.0002446800000000 ] - [ 0.0001707200000000, 0.0000001700000000, -0.0002219600000000 ] - [ -0.0000910800000000, -0.0000325700000000, -0.0005035100000000 ] - [ 0.0001112700000000, 0.0002602700000000, 0.0001549600000000 ] - [ -0.0000164700000000, 0.0000346100000000, 0.0001043900000000 ] - [ -0.0000871500000000, 0.0000294000000000, -0.0005170300000000 ] - [ -0.0001936900000000, 0.0000242200000000, -0.0002010300000000 ] - [ 0.0000386000000000, 0.0001979600000000, 0.0000914900000000 ] - [ 0.0004062300000000, 0.0000224200000000, 0.0001432600000000 ] - [ 0.0000635300000000, -0.0000625900000000, -0.0001380800000000 ] - [ -0.0000461100000000, 0.0051991400000000, 0.0003755500000000 ] - [ 0.0001340500000000, 0.0001618300000000, 0.0008734800000000 ] - [ -0.0000067400000000, -0.0001280800000000, 0.0003131700000000 ] - [ 0.0000731100000000, 0.0078090900000000, 0.0005682600000000 ] - [ -0.0001484700000000, -0.0002156900000000, 0.0000272500000000 ] - [ 0.0000368800000000, -0.0050969200000000, 0.0003500100000000 ] - [ 0.0002138300000000, 0.0000267800000000, 0.0000238500000000 ] - [ -0.0424624800000000, 0.0905231100000000, -0.0337410400000000 ] - [ 0.0004013900000000, 0.0001434900000000, 0.0006368300000000 ]- atom: 24 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0062332600000000, 0.0000000000000000, -0.0151988800000000 ] - [ -0.0035038500000000, 0.0000000000000000, -0.0022053800000000 ] - [ -0.0135681700000000, 0.0165109600000000, 0.0154750600000000 ] - [ -0.0015960000000000, 0.0000000000000000, 0.0029209000000000 ] - [ 0.0043688100000000, -0.0003381700000000, -0.0023197100000000 ] - [ 0.0000673400000000, 0.0001214700000000, 0.0036793700000000 ] - [ 0.0006620000000000, 0.0000000000000000, 0.0020519700000000 ] - [ 0.0000673400000000, -0.0001214700000000, 0.0036793700000000 ] - [ -0.0039023500000000, 0.0000000000000000, 0.0018706600000000 ] - [ 0.0002366600000000, 0.0000000000000000, 0.0043403800000000 ] - [ 0.0002669700000000, 0.0001355200000000, 0.0033081000000000 ] - [ -0.0006960800000000, 0.0000000000000000, 0.0029771000000000 ] - [ -0.0000619100000000, 0.0000000000000000, 0.0037341400000000 ] - [ 0.0001066000000000, 0.0000000000000000, 0.0041388000000000 ] - [ 0.0002669700000000, -0.0001355200000000, 0.0033081000000000 ] - [ 0.0001273900000000, 0.0000000000000000, 0.0034518700000000 ] - [ -0.0004048300000000, 0.0002648300000000, 0.0040255700000000 ] - [ -0.0074698400000000, 0.0000000000000000, 0.0042278200000000 ] - [ 0.0163552500000000, 0.0047119900000000, 0.0012439700000000 ] - [ -0.0034211000000000, 0.0000000000000000, 0.0059806700000000 ] - [ -0.0004048300000000, -0.0002648300000000, 0.0040255700000000 ] - [ -0.0097631700000000, 0.0048153400000000, -0.0026811100000000 ] - [ 0.0012331500000000, 0.0000000000000000, 0.0050667100000000 ] - [ -0.0347839200000000, 0.0000000000000000, -0.2747235800000000 ] - [ 0.0076398800000000, 0.0000000000000000, -0.0168878100000000 ] - [ 0.0226508200000000, 0.0000000000000000, 0.0166471000000000 ] - [ 0.0043688100000000, 0.0003381700000000, -0.0023197100000000 ] - [ 0.0011496200000000, 0.0000000000000000, 0.0021054900000000 ] - [ -0.0135681700000000, -0.0165109600000000, 0.0154750600000000 ] - [ 0.0003934500000000, 0.0001481700000000, 0.0047664300000000 ] - [ -0.0004158200000000, 0.0000000000000000, 0.0070412900000000 ] - [ 0.0003934500000000, -0.0001481700000000, 0.0047664300000000 ] - [ 0.0032024200000000, 0.0000000000000000, 0.0040114500000000 ] - [ 0.0000292800000000, 0.0000000000000000, 0.0041164500000000 ] - [ 0.0001969100000000, 0.0001139500000000, 0.0032128300000000 ] - [ 0.0001754100000000, 0.0000000000000000, 0.0038380900000000 ] - [ 0.0004967000000000, 0.0000000000000000, 0.0035867600000000 ] - [ -0.0000409100000000, 0.0000000000000000, 0.0044333700000000 ] - [ 0.0001969100000000, -0.0001139500000000, 0.0032128300000000 ] - [ 0.0001014800000000, 0.0000000000000000, 0.0034125800000000 ] - [ 0.0008584700000000, 0.0002894200000000, 0.0031399000000000 ] - [ 0.0009397500000000, 0.0000000000000000, -0.0040155700000000 ] - [ -0.0097631700000000, -0.0048153400000000, -0.0026811100000000 ] - [ 0.0044615400000000, 0.0000000000000000, 0.0044330500000000 ] - [ 0.0008584700000000, -0.0002894200000000, 0.0031399000000000 ] - [ 0.0163552500000000, -0.0047119900000000, 0.0012439700000000 ] - [ -0.0009524000000000, 0.0000000000000000, 0.0023916200000000 ] - [ 0.0020418200000000, 0.0000000000000000, -0.0130936600000000 ] - [ -0.0001500800000000, 0.0000000000000000, 0.0023778600000000 ] - [ 0.0001433200000000, 0.0000000000000000, 0.0029234800000000 ] - [ -0.0014058600000000, 0.0000000000000000, 0.0200910700000000 ] - [ -0.0000672800000000, 0.0000000000000000, 0.0026460000000000 ] - [ -0.0002013000000000, 0.0000000000000000, 0.0025602800000000 ] - [ -0.0000961400000000, 0.0000000000000000, 0.0027364000000000 ] - [ 0.0005608000000000, 0.0000000000000000, 0.0005632600000000 ] - [ 0.0000404100000000, 0.0000000000000000, 0.0026279900000000 ] - [ 0.0081526200000000, -0.0023208400000000, 0.0048427600000000 ] - [ 0.0021867200000000, 0.0000000000000000, -0.0014242200000000 ] - [ -0.0082013900000000, -0.0040089900000000, 0.0027678600000000 ] - [ -0.0020186000000000, 0.0000000000000000, 0.0039574200000000 ] - [ -0.0006763000000000, -0.0000812000000000, -0.0019283700000000 ] - [ -0.0025007900000000, 0.0000000000000000, -0.0006622100000000 ] - [ -0.0011091900000000, 0.0000000000000000, 0.0060217400000000 ] - [ 0.0008471600000000, -0.0000934600000000, 0.0001857400000000 ] - [ -0.0002579400000000, 0.0000000000000000, -0.0026218500000000 ] - [ -0.0006763000000000, 0.0000812000000000, -0.0019283700000000 ] - [ 0.0006718200000000, 0.0000000000000000, -0.0020766300000000 ] - [ 0.0008471600000000, 0.0000934600000000, 0.0001857400000000 ] - [ 0.0000111200000000, 0.0000109500000000, -0.0025450400000000 ] - [ 0.0003428300000000, 0.0000000000000000, -0.0025299300000000 ] - [ 0.0011679400000000, 0.0000000000000000, -0.0024914600000000 ] - [ 0.0000111200000000, -0.0000109500000000, -0.0025450400000000 ] - [ -0.0006114400000000, -0.0003251300000000, -0.0025272500000000 ] - [ -0.0001095400000000, 0.0000000000000000, -0.0025716000000000 ] - [ -0.0001911300000000, 0.0000000000000000, -0.0028536800000000 ] - [ -0.0002379900000000, 0.0003797900000000, -0.0023088900000000 ] - [ -0.0000903800000000, -0.0000620600000000, -0.0027508500000000 ] - [ 0.0001898600000000, 0.0000000000000000, -0.0028176000000000 ] - [ 0.0001792600000000, 0.0000000000000000, -0.0032765000000000 ] - [ -0.0000825300000000, -0.0000044200000000, -0.0031752700000000 ] - [ -0.0000297100000000, 0.0000000000000000, -0.0016856500000000 ] - [ 0.0000557500000000, 0.0000370800000000, -0.0022655100000000 ] - [ -0.0000825300000000, 0.0000044200000000, -0.0031752700000000 ] - [ 0.0000415500000000, 0.0000000000000000, -0.0029485300000000 ] - [ 0.0044886600000000, 0.0023532900000000, -0.0029058000000000 ] - [ 0.0006044900000000, 0.0000000000000000, -0.0032212000000000 ] - [ 0.0003229700000000, 0.0000000000000000, -0.0027068500000000 ] - [ 0.0047888900000000, 0.0000000000000000, 0.0121873300000000 ] - [ 0.0009022000000000, 0.0002182700000000, -0.0018360000000000 ] - [ 0.0044886600000000, -0.0023532900000000, -0.0029058000000000 ] - [ 0.0030629300000000, 0.0000000000000000, 0.0020078400000000 ] - [ 0.0009022000000000, -0.0002182700000000, -0.0018360000000000 ] - [ -0.0232552100000000, 0.0000000000000000, 0.0303029700000000 ] - [ -0.0026556900000000, 0.0000000000000000, -0.0026722000000000 ] - [ 0.0013820300000000, -0.0016955700000000, 0.0053255500000000 ] - [ 0.0266721800000000, 0.0433842000000000, 0.0387263000000000 ] - [ -0.0082013900000000, 0.0040089900000000, 0.0027678600000000 ] - [ -0.0024855000000000, 0.0000000000000000, -0.0008071400000000 ] - [ 0.0081526200000000, 0.0023208400000000, 0.0048427600000000 ] - [ 0.0002833700000000, 0.0000000000000000, 0.0027547400000000 ] - [ -0.0000114400000000, 0.0003910400000000, -0.0032383000000000 ] - [ 0.0061289200000000, 0.0000000000000000, -0.0063220600000000 ] - [ 0.0023007100000000, 0.0000000000000000, 0.1112625000000000 ] - [ -0.0031378700000000, 0.0037960300000000, -0.0075032000000000 ] - [ -0.0002474900000000, 0.0000000000000000, -0.0031256600000000 ] - [ -0.0000114400000000, -0.0003910400000000, -0.0032383000000000 ] - [ -0.0007688600000000, 0.0000000000000000, -0.0033018000000000 ] - [ -0.0031378700000000, -0.0037960300000000, -0.0075032000000000 ] - [ -0.0000411400000000, 0.0000112000000000, -0.0026572700000000 ] - [ 0.0003611200000000, 0.0000000000000000, -0.0029552700000000 ] - [ 0.0001673200000000, 0.0000000000000000, -0.0034299100000000 ] - [ -0.0000411400000000, -0.0000112000000000, -0.0026572700000000 ] - [ -0.0002379900000000, -0.0003797900000000, -0.0023088900000000 ] - [ -0.0000309300000000, 0.0000000000000000, -0.0024815300000000 ] - [ -0.0001018700000000, 0.0000000000000000, -0.0028125800000000 ] - [ -0.0006114400000000, 0.0003251300000000, -0.0025272500000000 ] - [ 0.0000557500000000, -0.0000370800000000, -0.0022655100000000 ] - [ 0.0001283400000000, 0.0000000000000000, -0.0029396100000000 ] - [ 0.0000896600000000, 0.0000000000000000, -0.0033140700000000 ] - [ -0.0001121300000000, -0.0000030800000000, -0.0031129500000000 ] - [ 0.0002839700000000, 0.0000000000000000, -0.0034269500000000 ] - [ -0.0000903800000000, 0.0000620600000000, -0.0027508500000000 ] - [ -0.0001121300000000, 0.0000030800000000, -0.0031129500000000 ] - [ -0.0004337400000000, 0.0000000000000000, -0.0027876000000000 ] - [ -0.0025793200000000, -0.0003453700000000, 0.0010997700000000 ] - [ 0.0002379700000000, 0.0000000000000000, -0.0014107200000000 ] - [ -0.0002189900000000, 0.0000000000000000, -0.0026645200000000 ] - [ -0.0055920100000000, 0.0000000000000000, 0.0087800700000000 ] - [ -0.0009656000000000, 0.0001256000000000, -0.0024398200000000 ] - [ -0.0025793200000000, 0.0003453700000000, 0.0010997700000000 ] - [ -0.0063914600000000, 0.0000000000000000, -0.0042805400000000 ] - [ -0.0009656000000000, -0.0001256000000000, -0.0024398200000000 ] - [ -0.0070731900000000, 0.0000000000000000, 0.0057066100000000 ] - [ 0.0018598700000000, 0.0000000000000000, 0.0012513700000000 ] - [ 0.0266721800000000, -0.0433842000000000, 0.0387263000000000 ] - [ 0.0013820300000000, 0.0016955700000000, 0.0053255500000000 ]- atom: 24 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0065648600000000, 0.0000000000000000, 0.0157241800000000 ] - [ 0.0033808100000000, 0.0000000000000000, 0.0014216200000000 ] - [ 0.0136740700000000, -0.0163897400000000, -0.0154331700000000 ] - [ 0.0013650900000000, 0.0000000000000000, -0.0036350600000000 ] - [ -0.0041841700000000, 0.0002563000000000, 0.0022479700000000 ] - [ -0.0001044900000000, -0.0001131700000000, -0.0036673600000000 ] - [ -0.0008555800000000, 0.0000000000000000, -0.0018879500000000 ] - [ -0.0001044900000000, 0.0001131700000000, -0.0036673600000000 ] - [ 0.0037062800000000, 0.0000000000000000, -0.0017523500000000 ] - [ -0.0002429400000000, 0.0000000000000000, -0.0043879600000000 ] - [ -0.0000700600000000, -0.0002827100000000, -0.0040482400000000 ] - [ 0.0007920500000000, 0.0000000000000000, -0.0033940300000000 ] - [ 0.0006678200000000, 0.0000000000000000, -0.0039591200000000 ] - [ -0.0000503900000000, 0.0000000000000000, -0.0047946600000000 ] - [ -0.0000700600000000, 0.0002827100000000, -0.0040482400000000 ] - [ 0.0005806100000000, 0.0000000000000000, -0.0037815600000000 ] - [ 0.0005261100000000, -0.0001779100000000, -0.0040230300000000 ] - [ 0.0071734100000000, 0.0000000000000000, -0.0034684700000000 ] - [ -0.0165993900000000, -0.0045581100000000, -0.0001922900000000 ] - [ 0.0038613900000000, 0.0000000000000000, -0.0049130200000000 ] - [ 0.0005261100000000, 0.0001779100000000, -0.0040230300000000 ] - [ 0.0095474500000000, -0.0050240200000000, 0.0037410100000000 ] - [ -0.0008471900000000, 0.0000000000000000, -0.0043006000000000 ] - [ 0.0363779600000000, 0.0000000000000000, 0.2659733100000000 ] - [ -0.0073697400000000, 0.0000000000000000, 0.0173582000000000 ] - [ -0.0226981700000000, 0.0000000000000000, -0.0172444900000000 ] - [ -0.0041841700000000, -0.0002563000000000, 0.0022479700000000 ] - [ -0.0013775300000000, 0.0000000000000000, -0.0028153600000000 ] - [ 0.0136740700000000, 0.0163897400000000, -0.0154331700000000 ] - [ -0.0004318500000000, -0.0001399100000000, -0.0047531400000000 ] - [ 0.0002115700000000, 0.0000000000000000, -0.0068779400000000 ] - [ -0.0004318500000000, 0.0001399100000000, -0.0047531400000000 ] - [ -0.0033990600000000, 0.0000000000000000, -0.0038813400000000 ] - [ -0.0000354700000000, 0.0000000000000000, -0.0041642900000000 ] - [ -0.0000000300000000, -0.0002611000000000, -0.0039525600000000 ] - [ -0.0000875900000000, 0.0000000000000000, -0.0042609600000000 ] - [ 0.0001098600000000, 0.0000000000000000, -0.0038117400000000 ] - [ 0.0000979800000000, 0.0000000000000000, -0.0050916000000000 ] - [ -0.0000000300000000, 0.0002611000000000, -0.0039525600000000 ] - [ 0.0006073400000000, 0.0000000000000000, -0.0037425200000000 ] - [ -0.0007453100000000, -0.0002041900000000, -0.0031310100000000 ] - [ -0.0011914300000000, 0.0000000000000000, 0.0046367700000000 ] - [ 0.0095474500000000, 0.0050240200000000, 0.0037410100000000 ] - [ -0.0040898300000000, 0.0000000000000000, -0.0033574700000000 ] - [ -0.0007453100000000, 0.0002041900000000, -0.0031310100000000 ] - [ -0.0165993900000000, 0.0045581100000000, -0.0001922900000000 ] - [ 0.0013548300000000, 0.0000000000000000, -0.0016197500000000 ] - [ -0.0019691600000000, 0.0000000000000000, 0.0128151000000000 ] - [ -0.0000178300000000, 0.0000000000000000, -0.0028023200000000 ] - [ -0.0000865200000000, 0.0000000000000000, -0.0028887000000000 ] - [ 0.0016954400000000, 0.0000000000000000, -0.0193624000000000 ] - [ 0.0000457400000000, 0.0000000000000000, -0.0031677400000000 ] - [ 0.0000331300000000, 0.0000000000000000, -0.0029844400000000 ] - [ 0.0001548400000000, 0.0000000000000000, -0.0027006800000000 ] - [ -0.0002960500000000, 0.0000000000000000, 0.0004756700000000 ] - [ -0.0000628000000000, 0.0000000000000000, -0.0031493000000000 ] - [ -0.0081447800000000, 0.0023913200000000, -0.0046085100000000 ] - [ -0.0023850500000000, 0.0000000000000000, 0.0009067200000000 ] - [ 0.0081437900000000, 0.0039089900000000, -0.0025507400000000 ] - [ 0.0013222000000000, 0.0000000000000000, -0.0049712400000000 ] - [ 0.0004128900000000, -0.0001464500000000, 0.0012593800000000 ] - [ 0.0021025700000000, 0.0000000000000000, 0.0006755400000000 ] - [ 0.0006589100000000, 0.0000000000000000, -0.0061395200000000 ] - [ -0.0010180600000000, 0.0001073700000000, -0.0005114300000000 ] - [ -0.0006461400000000, 0.0000000000000000, 0.0018804800000000 ] - [ 0.0004128900000000, 0.0001464500000000, 0.0012593800000000 ] - [ -0.0008330200000000, 0.0000000000000000, 0.0016213800000000 ] - [ -0.0010180600000000, -0.0001073700000000, -0.0005114300000000 ] - [ -0.0000604500000000, 0.0000729800000000, 0.0024301600000000 ] - [ 0.0000511400000000, 0.0000000000000000, 0.0023690800000000 ] - [ -0.0005916000000000, 0.0000000000000000, 0.0027122300000000 ] - [ -0.0000604500000000, -0.0000729800000000, 0.0024301600000000 ] - [ 0.0005066500000000, 0.0000271100000000, 0.0025733400000000 ] - [ 0.0000060400000000, 0.0000000000000000, 0.0026974700000000 ] - [ -0.0001724300000000, 0.0000000000000000, 0.0021685000000000 ] - [ 0.0001333800000000, -0.0000818800000000, 0.0023553700000000 ] - [ 0.0000503700000000, -0.0000225500000000, 0.0030545500000000 ] - [ 0.0000744800000000, 0.0000000000000000, 0.0023301500000000 ] - [ 0.0001626600000000, 0.0000000000000000, 0.0028340700000000 ] - [ -0.0000950200000000, -0.0000585100000000, 0.0021579300000000 ] - [ 0.0002484700000000, 0.0000000000000000, 0.0019948300000000 ] - [ -0.0000974300000000, 0.0000482900000000, 0.0025656800000000 ] - [ -0.0000950200000000, 0.0000585100000000, 0.0021579300000000 ] - [ -0.0004332900000000, 0.0000000000000000, 0.0025525200000000 ] - [ -0.0044815600000000, -0.0020593300000000, 0.0032927500000000 ] - [ 0.0002121700000000, 0.0000000000000000, 0.0035167200000000 ] - [ -0.0001962700000000, 0.0000000000000000, 0.0024354700000000 ] - [ -0.0048483800000000, 0.0000000000000000, -0.0114671100000000 ] - [ -0.0009201100000000, 0.0001552700000000, 0.0027467000000000 ] - [ -0.0044815600000000, 0.0020593300000000, 0.0032927500000000 ] - [ -0.0029485500000000, 0.0000000000000000, -0.0009213500000000 ] - [ -0.0009201100000000, -0.0001552700000000, 0.0027467000000000 ] - [ 0.0234041000000000, 0.0000000000000000, -0.0293219100000000 ] - [ 0.0030578400000000, 0.0000000000000000, 0.0026837300000000 ] - [ -0.0015000800000000, 0.0019343300000000, -0.0043650200000000 ] - [ -0.0274524200000000, -0.0448646700000000, -0.0378100900000000 ] - [ 0.0081437900000000, -0.0039089900000000, -0.0025507400000000 ] - [ 0.0022747200000000, 0.0000000000000000, 0.0002828400000000 ] - [ -0.0081447800000000, -0.0023913200000000, -0.0046085100000000 ] - [ -0.0009630200000000, 0.0000000000000000, -0.0037614700000000 ] - [ -0.0002485300000000, -0.0006181500000000, 0.0025695300000000 ] - [ -0.0065350300000000, 0.0000000000000000, 0.0063547400000000 ] - [ -0.0029502500000000, 0.0000000000000000, -0.1034877900000000 ] - [ 0.0029824400000000, -0.0037971700000000, 0.0071729600000000 ] - [ -0.0006561700000000, 0.0000000000000000, 0.0023840100000000 ] - [ -0.0002485300000000, 0.0006181500000000, 0.0025695300000000 ] - [ 0.0006077400000000, 0.0000000000000000, 0.0028437200000000 ] - [ 0.0029824400000000, 0.0037971700000000, 0.0071729600000000 ] - [ -0.0000080200000000, 0.0000727400000000, 0.0025423400000000 ] - [ 0.0000336400000000, 0.0000000000000000, 0.0027943700000000 ] - [ 0.0004109800000000, 0.0000000000000000, 0.0036489100000000 ] - [ -0.0000080200000000, -0.0000727400000000, 0.0025423400000000 ] - [ 0.0001333800000000, 0.0000818800000000, 0.0023553700000000 ] - [ -0.0000731100000000, 0.0000000000000000, 0.0026068500000000 ] - [ -0.0002616300000000, 0.0000000000000000, 0.0021274800000000 ] - [ 0.0005066500000000, -0.0000271100000000, 0.0025733400000000 ] - [ -0.0000974300000000, -0.0000482900000000, 0.0025656800000000 ] - [ 0.0001363500000000, 0.0000000000000000, 0.0024531100000000 ] - [ 0.0002519900000000, 0.0000000000000000, 0.0028721600000000 ] - [ -0.0000650300000000, -0.0000600600000000, 0.0020949100000000 ] - [ -0.0000672600000000, 0.0000000000000000, 0.0037511200000000 ] - [ 0.0000503700000000, 0.0000225500000000, 0.0030545500000000 ] - [ -0.0000650300000000, 0.0000600600000000, 0.0020949100000000 ] - [ 0.0000460400000000, 0.0000000000000000, 0.0023896600000000 ] - [ 0.0026364100000000, 0.0006791000000000, -0.0007136400000000 ] - [ 0.0005789100000000, 0.0000000000000000, 0.0016969500000000 ] - [ 0.0003488600000000, 0.0000000000000000, 0.0023921800000000 ] - [ 0.0054801400000000, 0.0000000000000000, -0.0080617700000000 ] - [ 0.0009591000000000, 0.0002529400000000, 0.0033531400000000 ] - [ 0.0026364100000000, -0.0006791000000000, -0.0007136400000000 ] - [ 0.0066000500000000, 0.0000000000000000, 0.0054020500000000 ] - [ 0.0009591000000000, -0.0002529400000000, 0.0033531400000000 ] - [ 0.0071461200000000, 0.0000000000000000, -0.0050357000000000 ] - [ -0.0014504000000000, 0.0000000000000000, -0.0012131600000000 ] - [ -0.0274524200000000, 0.0448646700000000, -0.0378100900000000 ] - [ -0.0015000800000000, -0.0019343300000000, -0.0043650200000000 ]- atom: 49 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001406700000000, 0.0000000000000000, 0.0001326400000000 ] - [ 0.0000042500000000, 0.0000000000000000, -0.0006967200000000 ] - [ 0.0003799300000000, 0.0000541200000000, -0.0001625000000000 ] - [ 0.0011843700000000, 0.0000000000000000, -0.0019493300000000 ] - [ -0.0002306400000000, -0.0000439500000000, -0.0000690200000000 ] - [ -0.0062596800000000, -0.0009181100000000, -0.0057134000000000 ] - [ -0.0013446000000000, 0.0000000000000000, -0.0001535800000000 ] - [ -0.0062596800000000, 0.0009181100000000, -0.0057134000000000 ] - [ -0.0001584000000000, 0.0000000000000000, -0.0010897600000000 ] - [ 0.0219986000000000, 0.0000000000000000, 0.0056782400000000 ] - [ 0.0074814800000000, -0.0085696400000000, -0.0108092400000000 ] - [ -0.0006183200000000, 0.0000000000000000, 0.0003844200000000 ] - [ 0.0185114600000000, 0.0000000000000000, -0.0058348400000000 ] - [ 0.0021821900000000, 0.0000000000000000, 0.0016705600000000 ] - [ 0.0074814800000000, 0.0085696400000000, -0.0108092400000000 ] - [ 0.0098105800000000, 0.0000000000000000, 0.0001960900000000 ] - [ -0.0004300000000000, -0.0001137500000000, -0.0004522700000000 ] - [ -0.0001042700000000, 0.0000000000000000, 0.0001961700000000 ] - [ -0.0000568200000000, 0.0001148800000000, 0.0003766200000000 ] - [ 0.0000561400000000, 0.0000000000000000, 0.0004297800000000 ] - [ -0.0004300000000000, 0.0001137500000000, -0.0004522700000000 ] - [ -0.0001637600000000, -0.0001210900000000, 0.0004120300000000 ] - [ 0.0003546900000000, 0.0000000000000000, 0.0001566600000000 ] - [ 0.0000504900000000, 0.0000000000000000, -0.0001967800000000 ] - [ 0.0001443000000000, 0.0000000000000000, 0.0002773600000000 ] - [ -0.0001147500000000, 0.0000000000000000, -0.0002177200000000 ] - [ -0.0002306400000000, 0.0000439500000000, -0.0000690200000000 ] - [ -0.0015495000000000, 0.0000000000000000, 0.0008829900000000 ] - [ 0.0003799300000000, -0.0000541200000000, -0.0001625000000000 ] - [ 0.0049449400000000, 0.0005647700000000, 0.0030189500000000 ] - [ 0.0012516500000000, 0.0000000000000000, 0.0001871700000000 ] - [ 0.0049449400000000, -0.0005647700000000, 0.0030189500000000 ] - [ -0.0000078100000000, 0.0000000000000000, 0.0009671900000000 ] - [ 0.0013465400000000, 0.0000000000000000, -0.0029545500000000 ] - [ 0.0075126400000000, -0.0044093000000000, 0.0078762200000000 ] - [ 0.0006610100000000, 0.0000000000000000, -0.0008133300000000 ] - [ -0.0029728400000000, 0.0000000000000000, 0.0057323900000000 ] - [ -0.0002016800000000, 0.0000000000000000, -0.0024921100000000 ] - [ 0.0075126400000000, 0.0044093000000000, 0.0078762200000000 ] - [ -0.0145059500000000, 0.0000000000000000, 0.0042179400000000 ] - [ 0.0006696200000000, 0.0000647100000000, 0.0002297000000000 ] - [ -0.0001407600000000, 0.0000000000000000, 0.0002344100000000 ] - [ -0.0001637600000000, 0.0001210900000000, 0.0004120300000000 ] - [ 0.0003783900000000, 0.0000000000000000, 0.0004763600000000 ] - [ 0.0006696200000000, -0.0000647100000000, 0.0002297000000000 ] - [ -0.0000568200000000, -0.0001148800000000, 0.0003766200000000 ] - [ 0.0000009300000000, 0.0000000000000000, 0.0004335700000000 ] - [ 0.0000086200000000, 0.0000000000000000, -0.0002415600000000 ] - [ -0.1057607800000000, 0.0000000000000000, 0.0015843900000000 ] - [ 0.0006926700000000, 0.0000000000000000, -0.0014861600000000 ] - [ 0.0001310100000000, 0.0000000000000000, 0.0003534500000000 ] - [ -0.0047039000000000, 0.0000000000000000, -0.0003006400000000 ] - [ 0.0057180700000000, 0.0000000000000000, -0.0001236200000000 ] - [ -0.0008582600000000, 0.0000000000000000, 0.0013621600000000 ] - [ 0.0001257900000000, 0.0000000000000000, 0.0005430700000000 ] - [ 0.0023730300000000, 0.0000000000000000, -0.0005168200000000 ] - [ -0.0000341200000000, 0.0000571700000000, 0.0002215700000000 ] - [ -0.0002922900000000, 0.0000000000000000, -0.0000377500000000 ] - [ 0.0000236500000000, -0.0000337300000000, 0.0000980500000000 ] - [ -0.0002593500000000, 0.0000000000000000, -0.0004339300000000 ] - [ 0.0012292700000000, 0.0002013100000000, -0.0002729900000000 ] - [ 0.0001305300000000, 0.0000000000000000, -0.0001481000000000 ] - [ -0.0001229800000000, 0.0000000000000000, 0.0000703100000000 ] - [ 0.0002088400000000, -0.0000606600000000, 0.0001909200000000 ] - [ 0.0036811800000000, 0.0000000000000000, -0.0032975900000000 ] - [ 0.0012292700000000, -0.0002013100000000, -0.0002729900000000 ] - [ 0.0014787100000000, 0.0000000000000000, 0.0004998300000000 ] - [ 0.0002088400000000, 0.0000606600000000, 0.0001909200000000 ] - [ 0.0191772600000000, 0.0196303600000000, 0.0099418000000000 ] - [ 0.0082036000000000, 0.0000000000000000, 0.0004313600000000 ] - [ 0.0011915300000000, 0.0000000000000000, 0.0022150800000000 ] - [ 0.0191772600000000, -0.0196303600000000, 0.0099418000000000 ] - [ -0.0052127700000000, -0.0026480600000000, -0.0054226600000000 ] - [ -0.0045520000000000, 0.0000000000000000, 0.0049879700000000 ] - [ 0.0433272900000000, 0.0000000000000000, -0.0167231000000000 ] - [ -0.0023953700000000, 0.0031403500000000, 0.0057368000000000 ] - [ 0.0000342900000000, 0.0000072000000000, 0.0010349000000000 ] - [ -0.0009239200000000, 0.0000000000000000, -0.0045738000000000 ] - [ -0.0078450700000000, 0.0000000000000000, -0.0035338300000000 ] - [ 0.0039096600000000, 0.0015807300000000, 0.0019561800000000 ] - [ -0.0000576700000000, 0.0000000000000000, -0.0000889900000000 ] - [ -0.0002595900000000, -0.0000186400000000, -0.0008552500000000 ] - [ 0.0039096600000000, -0.0015807300000000, 0.0019561800000000 ] - [ 0.0006140900000000, 0.0000000000000000, 0.0004253900000000 ] - [ 0.0000550400000000, 0.0001648600000000, 0.0002911000000000 ] - [ 0.0005378000000000, 0.0000000000000000, 0.0003623600000000 ] - [ 0.0007888800000000, 0.0000000000000000, -0.0000311400000000 ] - [ -0.0000343000000000, 0.0000000000000000, 0.0004280400000000 ] - [ 0.0002273000000000, 0.0001994400000000, 0.0004912200000000 ] - [ 0.0000550400000000, -0.0001648600000000, 0.0002911000000000 ] - [ 0.0001092900000000, 0.0000000000000000, 0.0005873200000000 ] - [ 0.0002273000000000, -0.0001994400000000, 0.0004912200000000 ] - [ 0.0000593800000000, 0.0000000000000000, 0.0003778300000000 ] - [ 0.0001668300000000, 0.0000000000000000, 0.0001341300000000 ] - [ -0.0000450900000000, 0.0001142600000000, 0.0005316400000000 ] - [ -0.0000847900000000, -0.0001127600000000, 0.0005349400000000 ] - [ 0.0000236500000000, 0.0000337300000000, 0.0000980500000000 ] - [ 0.0001393000000000, 0.0000000000000000, -0.0004014600000000 ] - [ -0.0000341200000000, -0.0000571700000000, 0.0002215700000000 ] - [ -0.0004444300000000, 0.0000000000000000, -0.0004933300000000 ] - [ -0.0015490400000000, -0.0004365900000000, -0.0001375500000000 ] - [ -0.0005345900000000, 0.0000000000000000, 0.0002970400000000 ] - [ -0.0003188000000000, 0.0000000000000000, -0.0000556600000000 ] - [ -0.0003987800000000, 0.0000371700000000, -0.0003937400000000 ] - [ -0.0047317900000000, 0.0000000000000000, -0.0006205700000000 ] - [ -0.0015490400000000, 0.0004365900000000, -0.0001375500000000 ] - [ -0.0010117400000000, 0.0000000000000000, -0.0017583100000000 ] - [ -0.0003987800000000, -0.0000371700000000, -0.0003937400000000 ] - [ -0.0075297400000000, -0.0014489900000000, 0.0006977200000000 ] - [ -0.0058227900000000, 0.0000000000000000, -0.0000696100000000 ] - [ -0.0004567800000000, 0.0000000000000000, -0.0016029100000000 ] - [ -0.0075297400000000, 0.0014489900000000, 0.0006977200000000 ] - [ -0.0023953700000000, -0.0031403500000000, 0.0057368000000000 ] - [ -0.0006625700000000, 0.0000000000000000, -0.0044675800000000 ] - [ -0.0040898000000000, 0.0000000000000000, -0.0022491400000000 ] - [ -0.0052127700000000, 0.0026480600000000, -0.0054226600000000 ] - [ -0.0002595900000000, 0.0000186400000000, -0.0008552500000000 ] - [ -0.0006613600000000, 0.0000000000000000, 0.0016228000000000 ] - [ 0.0034434000000000, 0.0000000000000000, 0.0025463100000000 ] - [ -0.0030704500000000, 0.0001783100000000, -0.0017083300000000 ] - [ 0.0002101200000000, 0.0000000000000000, 0.0005190400000000 ] - [ 0.0000342900000000, -0.0000072000000000, 0.0010349000000000 ] - [ -0.0030704500000000, -0.0001783100000000, -0.0017083300000000 ] - [ -0.0010181300000000, 0.0000000000000000, -0.0002299600000000 ] - [ -0.0000209200000000, 0.0001618700000000, 0.0002233700000000 ] - [ 0.0002529900000000, 0.0000000000000000, -0.0000025300000000 ] - [ -0.0005808600000000, 0.0000000000000000, -0.0001330600000000 ] - [ -0.0000576500000000, 0.0000000000000000, 0.0004579000000000 ] - [ -0.0002230500000000, 0.0001872900000000, 0.0005555800000000 ] - [ -0.0000209200000000, -0.0001618700000000, 0.0002233700000000 ] - [ 0.0000194800000000, 0.0000000000000000, 0.0006399200000000 ] - [ -0.0002230500000000, -0.0001872900000000, 0.0005555800000000 ] - [ 0.0000266500000000, 0.0000000000000000, 0.0003995900000000 ] - [ 0.0002356300000000, 0.0000000000000000, 0.0000759100000000 ] - [ -0.0000847900000000, 0.0001127600000000, 0.0005349400000000 ] - [ -0.0000450900000000, -0.0001142600000000, 0.0005316400000000 ]- atom: 49 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001447700000000, 0.0000000000000000, 0.0004577000000000 ] - [ -0.0001336900000000, 0.0000000000000000, -0.0000808600000000 ] - [ -0.0002245300000000, 0.0000257200000000, 0.0000852000000000 ] - [ -0.0014318900000000, 0.0000000000000000, 0.0012245100000000 ] - [ 0.0003891100000000, -0.0000356100000000, -0.0000027300000000 ] - [ 0.0061176200000000, 0.0009708400000000, 0.0057737000000000 ] - [ 0.0011417600000000, 0.0000000000000000, 0.0003404500000000 ] - [ 0.0061176200000000, -0.0009708400000000, 0.0057737000000000 ] - [ -0.0000488200000000, 0.0000000000000000, 0.0012109400000000 ] - [ -0.0221962900000000, 0.0000000000000000, -0.0056874900000000 ] - [ -0.0073031400000000, 0.0084155400000000, 0.0101207800000000 ] - [ 0.0007083400000000, 0.0000000000000000, -0.0008062500000000 ] - [ -0.0177381900000000, 0.0000000000000000, 0.0055217500000000 ] - [ -0.0021385200000000, 0.0000000000000000, -0.0023236400000000 ] - [ -0.0073031400000000, -0.0084155400000000, 0.0101207800000000 ] - [ -0.0090675700000000, 0.0000000000000000, -0.0004806000000000 ] - [ 0.0005461400000000, 0.0001977100000000, 0.0004546000000000 ] - [ -0.0001403200000000, 0.0000000000000000, 0.0003892900000000 ] - [ -0.0001629300000000, 0.0001196500000000, 0.0005699800000000 ] - [ 0.0003558400000000, 0.0000000000000000, 0.0006590500000000 ] - [ 0.0005461400000000, -0.0001977100000000, 0.0004546000000000 ] - [ -0.0000556000000000, -0.0001135200000000, 0.0005344300000000 ] - [ 0.0000378500000000, 0.0000000000000000, 0.0006001500000000 ] - [ 0.0000117900000000, 0.0000000000000000, -0.0000589800000000 ] - [ 0.0001437800000000, 0.0000000000000000, 0.0003116400000000 ] - [ -0.0000067000000000, 0.0000000000000000, -0.0005642700000000 ] - [ 0.0003891100000000, 0.0000356100000000, -0.0000027300000000 ] - [ 0.0013452700000000, 0.0000000000000000, -0.0015993700000000 ] - [ -0.0002245300000000, -0.0000257200000000, 0.0000852000000000 ] - [ -0.0049974900000000, -0.0005600100000000, -0.0030403600000000 ] - [ -0.0014547500000000, 0.0000000000000000, -0.0000364100000000 ] - [ -0.0049974900000000, 0.0005600100000000, -0.0030403600000000 ] - [ -0.0001835300000000, 0.0000000000000000, -0.0008568400000000 ] - [ -0.0014845500000000, 0.0000000000000000, 0.0030096700000000 ] - [ -0.0073747800000000, 0.0041792200000000, -0.0085524300000000 ] - [ -0.0005679800000000, 0.0000000000000000, 0.0003932100000000 ] - [ 0.0036872100000000, 0.0000000000000000, -0.0059573100000000 ] - [ 0.0002653800000000, 0.0000000000000000, 0.0018281400000000 ] - [ -0.0073747800000000, -0.0041792200000000, -0.0085524300000000 ] - [ 0.0152950500000000, 0.0000000000000000, -0.0046165300000000 ] - [ -0.0005570500000000, 0.0000195500000000, -0.0002240400000000 ] - [ -0.0001043000000000, 0.0000000000000000, 0.0003515500000000 ] - [ -0.0000556000000000, 0.0001135200000000, 0.0005344300000000 ] - [ 0.0000330600000000, 0.0000000000000000, 0.0006133500000000 ] - [ -0.0005570500000000, -0.0000195500000000, -0.0002240400000000 ] - [ -0.0001629300000000, -0.0001196500000000, 0.0005699800000000 ] - [ 0.0003902500000000, 0.0000000000000000, 0.0003227700000000 ] - [ 0.0000533600000000, 0.0000000000000000, -0.0000123400000000 ] - [ 0.1089230100000000, 0.0000000000000000, -0.0049625800000000 ] - [ -0.0006344400000000, 0.0000000000000000, 0.0015206200000000 ] - [ 0.0001306400000000, 0.0000000000000000, 0.0006684500000000 ] - [ 0.0046846700000000, 0.0000000000000000, -0.0002614600000000 ] - [ -0.0058941400000000, 0.0000000000000000, -0.0002814900000000 ] - [ 0.0009110200000000, 0.0000000000000000, -0.0013381400000000 ] - [ 0.0001354900000000, 0.0000000000000000, 0.0004789900000000 ] - [ -0.0023975300000000, 0.0000000000000000, 0.0000007300000000 ] - [ 0.0000172900000000, 0.0000168000000000, -0.0000012900000000 ] - [ 0.0000911900000000, 0.0000000000000000, -0.0004787800000000 ] - [ -0.0000430900000000, -0.0000400100000000, 0.0001215300000000 ] - [ -0.0004278800000000, 0.0000000000000000, -0.0005862100000000 ] - [ -0.0015087100000000, -0.0004410000000000, -0.0004192400000000 ] - [ -0.0005268700000000, 0.0000000000000000, 0.0001697000000000 ] - [ -0.0003189300000000, 0.0000000000000000, -0.0001974500000000 ] - [ -0.0003782500000000, 0.0000759000000000, -0.0005200200000000 ] - [ -0.0046246900000000, 0.0000000000000000, 0.0031367800000000 ] - [ -0.0015087100000000, 0.0004410000000000, -0.0004192400000000 ] - [ -0.0016100700000000, 0.0000000000000000, -0.0009769300000000 ] - [ -0.0003782500000000, -0.0000759000000000, -0.0005200200000000 ] - [ -0.0191920800000000, -0.0190573100000000, -0.0097721300000000 ] - [ -0.0077941200000000, 0.0000000000000000, -0.0006345300000000 ] - [ -0.0006001100000000, 0.0000000000000000, -0.0019927100000000 ] - [ -0.0191920800000000, 0.0190573100000000, -0.0097721300000000 ] - [ 0.0051286700000000, 0.0023823500000000, 0.0055006400000000 ] - [ 0.0044286100000000, 0.0000000000000000, -0.0048521100000000 ] - [ -0.0465233600000000, 0.0000000000000000, 0.0175427900000000 ] - [ 0.0023152400000000, -0.0027810800000000, -0.0056381600000000 ] - [ -0.0000811900000000, -0.0000944500000000, -0.0007317600000000 ] - [ 0.0012132700000000, 0.0000000000000000, 0.0040866500000000 ] - [ 0.0081282100000000, 0.0000000000000000, 0.0030298200000000 ] - [ -0.0041125900000000, -0.0016433100000000, -0.0029713700000000 ] - [ 0.0002745600000000, 0.0000000000000000, 0.0004025900000000 ] - [ 0.0002183100000000, 0.0001052900000000, 0.0011590000000000 ] - [ -0.0041125900000000, 0.0016433100000000, -0.0029713700000000 ] - [ -0.0010051600000000, 0.0000000000000000, -0.0008178200000000 ] - [ -0.0000169800000000, 0.0001604100000000, 0.0001145400000000 ] - [ 0.0002731800000000, 0.0000000000000000, -0.0000682200000000 ] - [ -0.0006631300000000, 0.0000000000000000, -0.0002348200000000 ] - [ -0.0000567400000000, 0.0000000000000000, 0.0003202000000000 ] - [ -0.0002409200000000, 0.0001736300000000, 0.0004228300000000 ] - [ -0.0000169800000000, -0.0001604100000000, 0.0001145400000000 ] - [ 0.0000220600000000, 0.0000000000000000, 0.0005219900000000 ] - [ -0.0002409200000000, -0.0001736300000000, 0.0004228300000000 ] - [ 0.0000517600000000, 0.0000000000000000, 0.0003016000000000 ] - [ 0.0002343500000000, 0.0000000000000000, -0.0000518700000000 ] - [ -0.0000959200000000, 0.0001338700000000, 0.0004356000000000 ] - [ -0.0000560000000000, -0.0001352000000000, 0.0004327000000000 ] - [ -0.0000430900000000, 0.0000400100000000, 0.0001215300000000 ] - [ -0.0003507900000000, 0.0000000000000000, -0.0001204300000000 ] - [ 0.0000172900000000, -0.0000168000000000, -0.0000012900000000 ] - [ -0.0002427700000000, 0.0000000000000000, -0.0005245900000000 ] - [ 0.0012902600000000, 0.0002102800000000, -0.0005195500000000 ] - [ 0.0001464700000000, 0.0000000000000000, -0.0002702700000000 ] - [ -0.0001225800000000, 0.0000000000000000, -0.0000682300000000 ] - [ 0.0002263900000000, -0.0000220500000000, 0.0000732500000000 ] - [ 0.0038370300000000, 0.0000000000000000, -0.0001176400000000 ] - [ 0.0012902600000000, -0.0002102800000000, -0.0005195500000000 ] - [ 0.0008381700000000, 0.0000000000000000, 0.0013185600000000 ] - [ 0.0002263900000000, 0.0000220500000000, 0.0000732500000000 ] - [ 0.0074628400000000, 0.0015284700000000, -0.0008387300000000 ] - [ 0.0062152100000000, 0.0000000000000000, -0.0000922500000000 ] - [ 0.0010270700000000, 0.0000000000000000, 0.0018372900000000 ] - [ 0.0074628400000000, -0.0015284700000000, -0.0008387300000000 ] - [ 0.0023152400000000, 0.0027810800000000, -0.0056381600000000 ] - [ 0.0005875400000000, 0.0000000000000000, 0.0046404700000000 ] - [ 0.0037707300000000, 0.0000000000000000, 0.0015374200000000 ] - [ 0.0051286700000000, -0.0023823500000000, 0.0055006400000000 ] - [ 0.0002183100000000, -0.0001052900000000, 0.0011590000000000 ] - [ 0.0009142900000000, 0.0000000000000000, -0.0021175500000000 ] - [ -0.0031418900000000, 0.0000000000000000, -0.0030083300000000 ] - [ 0.0028962900000000, -0.0002334200000000, 0.0006725100000000 ] - [ 0.0000052100000000, 0.0000000000000000, -0.0002048900000000 ] - [ -0.0000811900000000, 0.0000944500000000, -0.0007317600000000 ] - [ 0.0028962900000000, 0.0002334200000000, 0.0006725100000000 ] - [ 0.0006294700000000, 0.0000000000000000, -0.0001687100000000 ] - [ 0.0000592000000000, 0.0001634200000000, 0.0001818200000000 ] - [ 0.0005593300000000, 0.0000000000000000, 0.0002962200000000 ] - [ 0.0007066800000000, 0.0000000000000000, -0.0001379100000000 ] - [ -0.0000328900000000, 0.0000000000000000, 0.0002899300000000 ] - [ 0.0002088800000000, 0.0001853000000000, 0.0003570900000000 ] - [ 0.0000592000000000, -0.0001634200000000, 0.0001818200000000 ] - [ 0.0001117900000000, 0.0000000000000000, 0.0004692200000000 ] - [ 0.0002088800000000, -0.0001853000000000, 0.0003570900000000 ] - [ 0.0000849600000000, 0.0000000000000000, 0.0002796000000000 ] - [ 0.0001655800000000, 0.0000000000000000, 0.0000062100000000 ] - [ -0.0000560000000000, 0.0001352000000000, 0.0004327000000000 ] - [ -0.0000959200000000, -0.0001338700000000, 0.0004356000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001443500000000, -0.0000032500000000, 0.0002929300000000 ] - [ -0.0000618700000000, 0.0000111700000000, -0.0003898100000000 ] - [ 0.0000862000000000, 0.0000392600000000, -0.0000262400000000 ] - [ -0.0001183300000000, -0.0004267900000000, -0.0003576400000000 ] - [ 0.0000717100000000, -0.0000395300000000, -0.0000503000000000 ] - [ 0.0003146400000000, 0.0015036200000000, 0.0069414700000000 ] - [ -0.0000955800000000, 0.0001248400000000, 0.0000874600000000 ] - [ -0.0003226800000000, 0.0013677700000000, -0.0069877300000000 ] - [ -0.0000993600000000, -0.0000152000000000, 0.0000556400000000 ] - [ 0.0000366900000000, -0.0029887000000000, 0.0000024900000000 ] - [ -0.0038965400000000, 0.0003857900000000, 0.0008663200000000 ] - [ 0.0000475600000000, 0.0000614100000000, -0.0002116600000000 ] - [ 0.0002764800000000, -0.0058485900000000, -0.0000922200000000 ] - [ 0.0000262400000000, 0.0002411400000000, -0.0003328800000000 ] - [ 0.0040742400000000, 0.0006326700000000, -0.0015837000000000 ] - [ 0.0003535200000000, 0.0003216000000000, -0.0001623900000000 ] - [ -0.0000196000000000, 0.0000442400000000, -0.0001056200000000 ] - [ -0.0001212100000000, 0.0000015200000000, 0.0002923700000000 ] - [ -0.0001087400000000, 0.0001173200000000, 0.0004740100000000 ] - [ 0.0002069700000000, 0.0000100100000000, 0.0005441500000000 ] - [ 0.0001375000000000, -0.0000399400000000, 0.0001095400000000 ] - [ -0.0001092900000000, -0.0001163800000000, 0.0004723900000000 ] - [ 0.0001966600000000, -0.0000189600000000, 0.0003782200000000 ] - [ 0.0000319500000000, -0.0000007200000000, -0.0001272500000000 ] - [ 0.0001443200000000, -0.0000023500000000, 0.0002928400000000 ] - [ -0.0000621800000000, 0.0000131500000000, -0.0003902500000000 ] - [ 0.0000878600000000, 0.0000398300000000, -0.0000255000000000 ] - [ -0.0001174400000000, -0.0000020500000000, -0.0003632600000000 ] - [ 0.0000730500000000, -0.0000409000000000, -0.0000492800000000 ] - [ -0.0008429200000000, -0.0000413800000000, -0.0008977300000000 ] - [ -0.0000990200000000, 0.0001818800000000, 0.0000808300000000 ] - [ 0.0007989700000000, -0.0000510100000000, 0.0009050600000000 ] - [ -0.0000990000000000, -0.0000011400000000, 0.0000588100000000 ] - [ 0.0001053600000000, 0.0248430000000000, 0.0000067600000000 ] - [ -0.0083403900000000, 0.0002916000000000, -0.0062356700000000 ] - [ 0.0000459600000000, 0.0001432900000000, -0.0002100100000000 ] - [ 0.0002028900000000, 0.0147676900000000, -0.0001583400000000 ] - [ 0.0000307100000000, 0.0016791000000000, -0.0003270100000000 ] - [ 0.0085105900000000, 0.0004504800000000, 0.0054904900000000 ] - [ 0.0004145900000000, 0.0217126600000000, -0.0000943500000000 ] - [ 0.0000182200000000, 0.0000404400000000, -0.0000191600000000 ] - [ -0.0001212300000000, 0.0000005400000000, 0.0002923000000000 ] - [ -0.0001085200000000, 0.0001186800000000, 0.0004730900000000 ] - [ 0.0002065500000000, 0.0000152700000000, 0.0005440900000000 ] - [ 0.0000965100000000, -0.0000430100000000, 0.0000213600000000 ] - [ -0.0001092800000000, -0.0001176900000000, 0.0004715200000000 ] - [ 0.0001970600000000, -0.0000112100000000, 0.0003779300000000 ] - [ 0.0000319800000000, -0.0000015300000000, -0.0001271300000000 ] - [ -0.0014731300000000, -0.1142484300000000, -0.0017361700000000 ] - [ 0.0000275100000000, -0.0001823900000000, 0.0000146900000000 ] - [ 0.0001317200000000, -0.0000044300000000, 0.0005108900000000 ] - [ -0.0000093000000000, -0.0023045500000000, -0.0002774200000000 ] - [ -0.0000892800000000, 0.0002305400000000, -0.0002068100000000 ] - [ 0.0000298200000000, -0.0000452300000000, 0.0000132400000000 ] - [ 0.0001317500000000, -0.0000043000000000, 0.0005107700000000 ] - [ -0.0000144500000000, -0.0000228100000000, -0.0002617900000000 ] - [ -0.0000081200000000, 0.0000382500000000, 0.0001116700000000 ] - [ -0.0001012600000000, 0.0000224700000000, -0.0002619600000000 ] - [ -0.0000065400000000, -0.0000356400000000, 0.0001026100000000 ] - [ -0.0003433000000000, 0.0000027100000000, -0.0005112400000000 ] - [ 0.0002084000000000, 0.0000637700000000, 0.0000635600000000 ] - [ -0.0001943900000000, -0.0000304200000000, 0.0000110500000000 ] - [ -0.0002199600000000, -0.0000025000000000, -0.0000639200000000 ] - [ -0.0000851800000000, 0.0000010900000000, -0.0001406700000000 ] - [ -0.0004474100000000, 0.0049031200000000, -0.0000654600000000 ] - [ -0.0004728300000000, 0.0003110800000000, -0.0007305800000000 ] - [ -0.0000732000000000, 0.0001789500000000, -0.0002430000000000 ] - [ -0.0000849300000000, -0.0000135400000000, -0.0001881600000000 ] - [ 0.0169360900000000, 0.0352342500000000, 0.0194600500000000 ] - [ 0.0001717000000000, -0.0099578700000000, -0.0000096000000000 ] - [ 0.0002814300000000, -0.0003940700000000, 0.0001230500000000 ] - [ -0.0157778800000000, 0.0333468700000000, -0.0183468800000000 ] - [ -0.0028607200000000, -0.0003155400000000, -0.0014755000000000 ] - [ -0.0000603900000000, 0.0000452200000000, 0.0000739200000000 ] - [ -0.0000607600000000, 0.0077569300000000, -0.0003939600000000 ] - [ 0.0030229300000000, 0.0003676600000000, -0.0036923100000000 ] - [ 0.0001226200000000, -0.0000967100000000, -0.0001244700000000 ] - [ 0.0001341800000000, 0.0026761900000000, -0.0002440300000000 ] - [ 0.0001743800000000, 0.0027269700000000, -0.0002219900000000 ] - [ 0.0017359700000000, -0.0009111200000000, -0.0026817400000000 ] - [ 0.0001091700000000, -0.0000242600000000, 0.0001564600000000 ] - [ 0.0000191400000000, 0.0000316200000000, 0.0002977400000000 ] - [ -0.0019173500000000, -0.0008690200000000, 0.0016524100000000 ] - [ -0.0001957300000000, -0.0002405500000000, -0.0001971700000000 ] - [ 0.0000204800000000, 0.0001624600000000, 0.0002000900000000 ] - [ 0.0004066800000000, 0.0000181300000000, 0.0001462300000000 ] - [ 0.0000628200000000, 0.0000972200000000, -0.0001345900000000 ] - [ -0.0000444700000000, 0.0000004800000000, 0.0003728200000000 ] - [ -0.0000069700000000, 0.0001851100000000, 0.0004386400000000 ] - [ 0.0000199500000000, -0.0001636300000000, 0.0002046900000000 ] - [ 0.0000661900000000, -0.0000015600000000, 0.0005544500000000 ] - [ -0.0000057700000000, -0.0001881500000000, 0.0004739700000000 ] - [ 0.0000567200000000, 0.0000001400000000, 0.0003383800000000 ] - [ 0.0002015800000000, 0.0000014600000000, 0.0000406200000000 ] - [ -0.0000694700000000, 0.0001243600000000, 0.0004822100000000 ] - [ -0.0000695200000000, -0.0001239900000000, 0.0004822800000000 ] - [ -0.0000086600000000, 0.0000392600000000, 0.0001139800000000 ] - [ -0.0001024300000000, 0.0000384800000000, -0.0002611300000000 ] - [ -0.0000071700000000, -0.0000365400000000, 0.0001047500000000 ] - [ -0.0003431200000000, 0.0000019500000000, -0.0005113200000000 ] - [ -0.0003172000000000, -0.0001628100000000, -0.0001242300000000 ] - [ -0.0001955700000000, -0.0000248300000000, 0.0000113200000000 ] - [ -0.0002199800000000, -0.0000015400000000, -0.0000637800000000 ] - [ -0.0001150700000000, 0.0000029700000000, -0.0001404400000000 ] - [ -0.0004492200000000, -0.0011308500000000, -0.0003736000000000 ] - [ 0.0000578400000000, 0.0000620600000000, -0.0005443700000000 ] - [ -0.0000818200000000, -0.0002509100000000, -0.0002286800000000 ] - [ -0.0000544700000000, -0.0000132400000000, -0.0001884500000000 ] - [ 0.0004545800000000, 0.0002444900000000, 0.0002456300000000 ] - [ 0.0001991100000000, 0.0009441500000000, -0.0000853800000000 ] - [ 0.0002885100000000, 0.0003266700000000, 0.0001105900000000 ] - [ -0.0005085800000000, 0.0001802500000000, -0.0003675700000000 ] - [ -0.0031593400000000, 0.0001225600000000, 0.0037438600000000 ] - [ -0.0000475400000000, -0.0053921400000000, 0.0000877100000000 ] - [ -0.0001701100000000, -0.0050728000000000, -0.0003509600000000 ] - [ 0.0027795900000000, 0.0000150700000000, 0.0015220800000000 ] - [ -0.0000603200000000, -0.0000541900000000, 0.0000096700000000 ] - [ 0.0001383500000000, -0.0004164600000000, -0.0002527000000000 ] - [ 0.0002091200000000, -0.0070305000000000, -0.0002603300000000 ] - [ -0.0001231500000000, -0.0000441200000000, -0.0004948800000000 ] - [ 0.0001088400000000, -0.0000392400000000, 0.0001557100000000 ] - [ -0.0001640700000000, -0.0000113600000000, 0.0004263700000000 ] - [ -0.0000515400000000, 0.0000178800000000, -0.0005208200000000 ] - [ -0.0001938000000000, -0.0000039400000000, -0.0001966300000000 ] - [ 0.0000211700000000, 0.0001621600000000, 0.0001993200000000 ] - [ 0.0004070800000000, 0.0000104900000000, 0.0001467600000000 ] - [ 0.0000648700000000, -0.0000114800000000, -0.0001348500000000 ] - [ -0.0000444300000000, 0.0000001500000000, 0.0003728100000000 ] - [ 0.0000134800000000, 0.0001844700000000, 0.0004347200000000 ] - [ 0.0000194300000000, -0.0001639300000000, 0.0002055700000000 ] - [ 0.0000662600000000, -0.0000017900000000, 0.0005544000000000 ] - [ -0.0000248500000000, -0.0001883400000000, 0.0004775700000000 ] - [ 0.0000567400000000, 0.0000003700000000, 0.0003384000000000 ] - [ 0.0002015100000000, 0.0000012800000000, 0.0000405800000000 ] - [ -0.0000695000000000, 0.0001242800000000, 0.0004821000000000 ] - [ -0.0000695800000000, -0.0001239800000000, 0.0004822000000000 ]- atom: 49 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0000068500000000, 0.0000000000000000, 0.0029686400000000 ] - [ -0.0004588600000000, 0.0000000000000000, 0.0021491000000000 ] - [ -0.0001237700000000, 0.0001107000000000, 0.0019345500000000 ] - [ -0.0026505700000000, 0.0000000000000000, 0.0008945200000000 ] - [ 0.0002591000000000, -0.0000727300000000, 0.0025525700000000 ] - [ -0.0076472300000000, 0.0095642100000000, 0.0119077000000000 ] - [ 0.0001268600000000, 0.0000000000000000, 0.0052582900000000 ] - [ -0.0076472300000000, -0.0095642100000000, 0.0119077000000000 ] - [ -0.0011368000000000, 0.0000000000000000, 0.0027777900000000 ] - [ 0.0041057900000000, 0.0000000000000000, -0.0144405900000000 ] - [ -0.0064766100000000, 0.0024661600000000, -0.0016064000000000 ] - [ 0.0001073300000000, 0.0000000000000000, 0.0023145400000000 ] - [ -0.0051128700000000, 0.0000000000000000, -0.0107147600000000 ] - [ 0.0027423100000000, 0.0000000000000000, 0.0024182600000000 ] - [ -0.0064766100000000, -0.0024661600000000, -0.0016064000000000 ] - [ 0.0014040300000000, 0.0000000000000000, -0.0025953000000000 ] - [ -0.0001796500000000, 0.0002196700000000, 0.0025338600000000 ] - [ -0.0001464100000000, 0.0000000000000000, 0.0025791600000000 ] - [ -0.0001327300000000, 0.0001122600000000, 0.0027534000000000 ] - [ 0.0001662500000000, 0.0000000000000000, 0.0033176000000000 ] - [ -0.0001796500000000, -0.0002196700000000, 0.0025338600000000 ] - [ -0.0000779500000000, -0.0001085900000000, 0.0027924600000000 ] - [ 0.0000828100000000, 0.0000000000000000, 0.0027323100000000 ] - [ 0.0000274700000000, 0.0000000000000000, 0.0024435600000000 ] - [ 0.0002816800000000, 0.0000000000000000, 0.0028496200000000 ] - [ 0.0004208000000000, 0.0000000000000000, 0.0016115700000000 ] - [ 0.0002591000000000, 0.0000727300000000, 0.0025525700000000 ] - [ 0.0023624500000000, 0.0000000000000000, 0.0016139500000000 ] - [ -0.0001237700000000, -0.0001107000000000, 0.0019345500000000 ] - [ 0.0015130300000000, 0.0003283800000000, -0.0010046100000000 ] - [ -0.0000936400000000, 0.0000000000000000, 0.0011946300000000 ] - [ 0.0015130300000000, -0.0003283800000000, -0.0010046100000000 ] - [ 0.0006627500000000, 0.0000000000000000, 0.0015366900000000 ] - [ 0.0009580000000000, 0.0000000000000000, -0.0245087600000000 ] - [ 0.0102331400000000, -0.0034999100000000, 0.0008955500000000 ] - [ -0.0004353700000000, 0.0000000000000000, 0.0018337300000000 ] - [ 0.0065892800000000, 0.0000000000000000, -0.0112006600000000 ] - [ -0.0022926000000000, 0.0000000000000000, 0.0033096400000000 ] - [ 0.0102331400000000, 0.0034999100000000, 0.0008955500000000 ] - [ -0.0033348100000000, 0.0000000000000000, 0.0036974000000000 ] - [ 0.0005235200000000, 0.0001965700000000, 0.0019937500000000 ] - [ -0.0001108700000000, 0.0000000000000000, 0.0026113600000000 ] - [ -0.0000779500000000, 0.0001085900000000, 0.0027924600000000 ] - [ 0.0002477700000000, 0.0000000000000000, 0.0031639800000000 ] - [ 0.0005235200000000, -0.0001965700000000, 0.0019937500000000 ] - [ -0.0001327300000000, -0.0001122600000000, 0.0027534000000000 ] - [ 0.0003085100000000, 0.0000000000000000, 0.0028754700000000 ] - [ 0.0000249300000000, 0.0000000000000000, 0.0026223700000000 ] - [ -0.0127217400000000, 0.0000000000000000, -0.1921791100000000 ] - [ -0.0005336800000000, 0.0000000000000000, 0.0010511300000000 ] - [ 0.0001025300000000, 0.0000000000000000, 0.0023474400000000 ] - [ -0.0007770800000000, 0.0000000000000000, 0.0090722000000000 ] - [ 0.0008228200000000, 0.0000000000000000, -0.0062495300000000 ] - [ 0.0005596900000000, 0.0000000000000000, 0.0021247000000000 ] - [ 0.0001623500000000, 0.0000000000000000, 0.0023351600000000 ] - [ 0.0002606200000000, 0.0000000000000000, 0.0000750800000000 ] - [ 0.0000045300000000, -0.0002720500000000, -0.0013309200000000 ] - [ 0.0004617900000000, 0.0000000000000000, -0.0020407900000000 ] - [ -0.0003507300000000, 0.0002676700000000, -0.0013904300000000 ] - [ -0.0000123400000000, 0.0000000000000000, -0.0021087600000000 ] - [ -0.0018660400000000, -0.0015597500000000, -0.0040694400000000 ] - [ -0.0006321700000000, 0.0000000000000000, -0.0018082300000000 ] - [ -0.0002570800000000, 0.0000000000000000, -0.0021793800000000 ] - [ 0.0000715200000000, 0.0000390500000000, -0.0022578000000000 ] - [ -0.0010664000000000, 0.0000000000000000, 0.1150659400000000 ] - [ -0.0018660400000000, 0.0015597500000000, -0.0040694400000000 ] - [ 0.0034005400000000, 0.0000000000000000, -0.0049644900000000 ] - [ 0.0000715200000000, -0.0000390500000000, -0.0022578000000000 ] - [ 0.0110371000000000, 0.0213999000000000, 0.0237283100000000 ] - [ 0.0023999100000000, 0.0000000000000000, 0.0046913700000000 ] - [ 0.0014028800000000, 0.0000000000000000, -0.0011210700000000 ] - [ 0.0110371000000000, -0.0213999000000000, 0.0237283100000000 ] - [ -0.0043177000000000, -0.0004423200000000, 0.0033856400000000 ] - [ 0.0012733300000000, 0.0000000000000000, 0.0012029800000000 ] - [ -0.0094182000000000, 0.0000000000000000, 0.0178251400000000 ] - [ 0.0066920800000000, -0.0032738000000000, 0.0070983300000000 ] - [ 0.0005423300000000, -0.0000501700000000, -0.0014331200000000 ] - [ -0.0041422100000000, 0.0000000000000000, -0.0037440200000000 ] - [ -0.0036951100000000, 0.0000000000000000, 0.0050460200000000 ] - [ 0.0026477300000000, -0.0017669300000000, -0.0028690800000000 ] - [ -0.0000479600000000, 0.0000000000000000, -0.0014750600000000 ] - [ -0.0005568500000000, -0.0001033600000000, -0.0017196400000000 ] - [ 0.0026477300000000, 0.0017669300000000, -0.0028690800000000 ] - [ -0.0001151100000000, 0.0000000000000000, -0.0024111300000000 ] - [ 0.0000281900000000, 0.0001567200000000, -0.0014571500000000 ] - [ 0.0006398500000000, 0.0000000000000000, -0.0015459300000000 ] - [ 0.0001497100000000, 0.0000000000000000, -0.0022831100000000 ] - [ -0.0000685400000000, 0.0000000000000000, -0.0016646000000000 ] - [ -0.0001090300000000, 0.0002762700000000, -0.0013139300000000 ] - [ 0.0000281900000000, -0.0001567200000000, -0.0014571500000000 ] - [ 0.0000528500000000, 0.0000000000000000, -0.0011229100000000 ] - [ -0.0001090300000000, -0.0002762700000000, -0.0013139300000000 ] - [ 0.0003854900000000, 0.0000000000000000, -0.0010971000000000 ] - [ 0.0002319700000000, 0.0000000000000000, -0.0018087000000000 ] - [ -0.0002686400000000, 0.0004371200000000, -0.0009955700000000 ] - [ -0.0002179800000000, -0.0004237000000000, -0.0009342700000000 ] - [ -0.0003507300000000, -0.0002676700000000, -0.0013904300000000 ] - [ -0.0007277500000000, 0.0000000000000000, -0.0025716200000000 ] - [ 0.0000045300000000, 0.0002720500000000, -0.0013309200000000 ] - [ 0.0000134500000000, 0.0000000000000000, -0.0018649400000000 ] - [ 0.0004523900000000, 0.0000972200000000, -0.0003296100000000 ] - [ 0.0002882400000000, 0.0000000000000000, -0.0012357700000000 ] - [ -0.0001961300000000, 0.0000000000000000, -0.0018362000000000 ] - [ -0.0002184100000000, 0.0000521400000000, -0.0012509900000000 ] - [ -0.0014610100000000, 0.0000000000000000, 0.0015686700000000 ] - [ 0.0004523900000000, -0.0000972200000000, -0.0003296100000000 ] - [ -0.0012768900000000, 0.0000000000000000, -0.0002084700000000 ] - [ -0.0002184100000000, -0.0000521400000000, -0.0012509900000000 ] - [ 0.0011367900000000, 0.0009729200000000, 0.0037691500000000 ] - [ -0.0003465800000000, 0.0000000000000000, 0.0031830100000000 ] - [ -0.0004908900000000, 0.0000000000000000, 0.0002550400000000 ] - [ 0.0011367900000000, -0.0009729200000000, 0.0037691500000000 ] - [ 0.0066920800000000, 0.0032738000000000, 0.0070983300000000 ] - [ -0.0022157200000000, 0.0000000000000000, -0.0012108900000000 ] - [ -0.0054792300000000, 0.0000000000000000, 0.0042033800000000 ] - [ -0.0043177000000000, 0.0004423200000000, 0.0033856400000000 ] - [ -0.0005568500000000, 0.0001033600000000, -0.0017196400000000 ] - [ 0.0019066600000000, 0.0000000000000000, 0.0005246400000000 ] - [ 0.0035552800000000, 0.0000000000000000, 0.0065761500000000 ] - [ -0.0016688000000000, 0.0002167900000000, -0.0000826200000000 ] - [ 0.0002544600000000, 0.0000000000000000, -0.0015312900000000 ] - [ 0.0005423300000000, 0.0000501700000000, -0.0014331200000000 ] - [ -0.0016688000000000, -0.0002167900000000, -0.0000826200000000 ] - [ -0.0004035500000000, 0.0000000000000000, -0.0013070600000000 ] - [ 0.0000081500000000, 0.0001607700000000, -0.0014322900000000 ] - [ 0.0003456600000000, 0.0000000000000000, -0.0014629000000000 ] - [ -0.0000031600000000, 0.0000000000000000, -0.0013285100000000 ] - [ -0.0000232100000000, 0.0000000000000000, -0.0016678100000000 ] - [ 0.0000174600000000, 0.0002497300000000, -0.0010616200000000 ] - [ 0.0000081500000000, -0.0001607700000000, -0.0014322900000000 ] - [ 0.0000929200000000, 0.0000000000000000, -0.0010594500000000 ] - [ 0.0000174600000000, -0.0002497300000000, -0.0010616200000000 ] - [ 0.0004279700000000, 0.0000000000000000, -0.0011140700000000 ] - [ 0.0001715000000000, 0.0000000000000000, -0.0018709000000000 ] - [ -0.0002179800000000, 0.0004237000000000, -0.0009342700000000 ] - [ -0.0002686400000000, -0.0004371200000000, -0.0009955700000000 ]- atom: 49 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0002959400000000, 0.0000000000000000, -0.0023793100000000 ] - [ 0.0003357900000000, 0.0000000000000000, -0.0029291200000000 ] - [ 0.0002824200000000, -0.0000307600000000, -0.0020104200000000 ] - [ 0.0024172200000000, 0.0000000000000000, -0.0016098500000000 ] - [ -0.0000985400000000, -0.0000067900000000, -0.0026293700000000 ] - [ 0.0076519500000000, -0.0095679600000000, -0.0120056700000000 ] - [ -0.0003160900000000, 0.0000000000000000, -0.0050849400000000 ] - [ 0.0076519500000000, 0.0095679600000000, -0.0120056700000000 ] - [ 0.0009406700000000, 0.0000000000000000, -0.0026587100000000 ] - [ -0.0040875200000000, 0.0000000000000000, 0.0144608500000000 ] - [ 0.0066583700000000, -0.0026285600000000, 0.0007946500000000 ] - [ -0.0000112900000000, 0.0000000000000000, -0.0027337700000000 ] - [ 0.0056745900000000, 0.0000000000000000, 0.0105206300000000 ] - [ -0.0026586900000000, 0.0000000000000000, -0.0030741500000000 ] - [ 0.0066583700000000, 0.0026285600000000, 0.0007946500000000 ] - [ -0.0006864500000000, 0.0000000000000000, 0.0022405000000000 ] - [ 0.0002941800000000, -0.0001358500000000, -0.0025284300000000 ] - [ -0.0000966700000000, 0.0000000000000000, -0.0019945100000000 ] - [ -0.0000844500000000, 0.0001220500000000, -0.0018081400000000 ] - [ 0.0002475100000000, 0.0000000000000000, -0.0022275600000000 ] - [ 0.0002941800000000, 0.0001358500000000, -0.0025284300000000 ] - [ -0.0001391800000000, -0.0001257600000000, -0.0018470100000000 ] - [ 0.0003103500000000, 0.0000000000000000, -0.0019766100000000 ] - [ 0.0000367000000000, 0.0000000000000000, -0.0026994400000000 ] - [ 0.0000070400000000, 0.0000000000000000, -0.0022608600000000 ] - [ -0.0005449000000000, 0.0000000000000000, -0.0023933200000000 ] - [ -0.0000985400000000, 0.0000067900000000, -0.0026293700000000 ] - [ -0.0025916600000000, 0.0000000000000000, -0.0023364600000000 ] - [ 0.0002824200000000, 0.0000307600000000, -0.0020104200000000 ] - [ -0.0015616600000000, -0.0003201300000000, 0.0010092800000000 ] - [ -0.0001077900000000, 0.0000000000000000, -0.0010331900000000 ] - [ -0.0015616600000000, 0.0003201300000000, 0.0010092800000000 ] - [ -0.0008609800000000, 0.0000000000000000, -0.0014207600000000 ] - [ -0.0010007600000000, 0.0000000000000000, 0.0245309000000000 ] - [ -0.0100076800000000, 0.0032867000000000, -0.0016893300000000 ] - [ 0.0005262100000000, 0.0000000000000000, -0.0022567100000000 ] - [ -0.0059689600000000, 0.0000000000000000, 0.0110478000000000 ] - [ 0.0023312400000000, 0.0000000000000000, -0.0039605200000000 ] - [ -0.0100076800000000, -0.0032867000000000, -0.0016893300000000 ] - [ 0.0040842700000000, 0.0000000000000000, -0.0041243800000000 ] - [ -0.0004040800000000, -0.0001123700000000, -0.0019925600000000 ] - [ -0.0001317200000000, 0.0000000000000000, -0.0020268400000000 ] - [ -0.0001391800000000, 0.0001257600000000, -0.0018470100000000 ] - [ 0.0001665300000000, 0.0000000000000000, -0.0020752800000000 ] - [ -0.0004040800000000, 0.0001123700000000, -0.0019925600000000 ] - [ -0.0000844500000000, -0.0001220500000000, -0.0018081400000000 ] - [ 0.0000865000000000, 0.0000000000000000, -0.0021187300000000 ] - [ 0.0000395800000000, 0.0000000000000000, -0.0028779900000000 ] - [ 0.0114549900000000, 0.0000000000000000, 0.1990544700000000 ] - [ 0.0005872500000000, 0.0000000000000000, -0.0010271800000000 ] - [ 0.0001610000000000, 0.0000000000000000, -0.0013268200000000 ] - [ 0.0007444800000000, 0.0000000000000000, -0.0094812600000000 ] - [ -0.0009964500000000, 0.0000000000000000, 0.0058318200000000 ] - [ -0.0004973200000000, 0.0000000000000000, -0.0020987500000000 ] - [ 0.0001016600000000, 0.0000000000000000, -0.0013146500000000 ] - [ -0.0002829100000000, 0.0000000000000000, -0.0006104100000000 ] - [ -0.0000203800000000, 0.0003453700000000, 0.0015421400000000 ] - [ -0.0006632600000000, 0.0000000000000000, 0.0015096000000000 ] - [ 0.0003351100000000, -0.0003410400000000, 0.0016023700000000 ] - [ -0.0006724600000000, 0.0000000000000000, 0.0010816200000000 ] - [ 0.0015949200000000, 0.0013235100000000, 0.0033972100000000 ] - [ 0.0002423700000000, 0.0000000000000000, 0.0018250500000000 ] - [ -0.0001827600000000, 0.0000000000000000, 0.0020443100000000 ] - [ -0.0002424000000000, -0.0000237300000000, 0.0019230300000000 ] - [ 0.0005948500000000, 0.0000000000000000, -0.1223898100000000 ] - [ 0.0015949200000000, -0.0013235100000000, 0.0033972100000000 ] - [ -0.0035328400000000, 0.0000000000000000, 0.0044779600000000 ] - [ -0.0002424000000000, 0.0000237300000000, 0.0019230300000000 ] - [ -0.0107315400000000, -0.0206357500000000, -0.0237119600000000 ] - [ -0.0020162700000000, 0.0000000000000000, -0.0048920600000000 ] - [ -0.0008286800000000, 0.0000000000000000, 0.0013305300000000 ] - [ -0.0107315400000000, 0.0206357500000000, -0.0237119600000000 ] - [ 0.0042364400000000, 0.0001530200000000, -0.0033669700000000 ] - [ -0.0013815200000000, 0.0000000000000000, -0.0010552700000000 ] - [ 0.0089372700000000, 0.0000000000000000, -0.0185993800000000 ] - [ -0.0068265700000000, 0.0035821900000000, -0.0070975100000000 ] - [ -0.0005796100000000, -0.0000365200000000, 0.0017276000000000 ] - [ 0.0043556700000000, 0.0000000000000000, 0.0032310900000000 ] - [ 0.0040395600000000, 0.0000000000000000, -0.0054723700000000 ] - [ -0.0028024100000000, 0.0016791700000000, 0.0018465600000000 ] - [ 0.0002653000000000, 0.0000000000000000, 0.0017800300000000 ] - [ 0.0005110800000000, 0.0001873200000000, 0.0020124200000000 ] - [ -0.0028024100000000, -0.0016791700000000, 0.0018465600000000 ] - [ -0.0002740400000000, 0.0000000000000000, 0.0020035400000000 ] - [ 0.0000123600000000, 0.0001683300000000, 0.0018536100000000 ] - [ 0.0001756300000000, 0.0000000000000000, 0.0018294800000000 ] - [ -0.0000209200000000, 0.0000000000000000, 0.0020000000000000 ] - [ -0.0000199100000000, 0.0000000000000000, 0.0024029200000000 ] - [ 0.0000966200000000, 0.0000973400000000, 0.0022167000000000 ] - [ 0.0000123600000000, -0.0001683300000000, 0.0018536100000000 ] - [ 0.0000808200000000, 0.0000000000000000, 0.0022229500000000 ] - [ 0.0000966200000000, -0.0000973400000000, 0.0022167000000000 ] - [ -0.0002713700000000, 0.0000000000000000, 0.0017675200000000 ] - [ 0.0001716700000000, 0.0000000000000000, 0.0018822300000000 ] - [ 0.0001296000000000, -0.0001886600000000, 0.0019538600000000 ] - [ 0.0000792600000000, 0.0001753000000000, 0.0018926200000000 ] - [ 0.0003351100000000, 0.0003410400000000, 0.0016023700000000 ] - [ 0.0005230500000000, 0.0000000000000000, 0.0020436500000000 ] - [ -0.0000203800000000, -0.0003453700000000, 0.0015421400000000 ] - [ -0.0006972000000000, 0.0000000000000000, 0.0008375600000000 ] - [ -0.0007100700000000, -0.0003228500000000, -0.0003460700000000 ] - [ -0.0006769100000000, 0.0000000000000000, 0.0012508000000000 ] - [ -0.0002428700000000, 0.0000000000000000, 0.0017015800000000 ] - [ 0.0000502300000000, -0.0000365900000000, 0.0009169500000000 ] - [ 0.0005693800000000, 0.0000000000000000, -0.0023225800000000 ] - [ -0.0007100700000000, 0.0003228500000000, -0.0003460700000000 ] - [ 0.0011149500000000, 0.0000000000000000, -0.0002533000000000 ] - [ 0.0000502300000000, 0.0000365900000000, 0.0009169500000000 ] - [ -0.0012051400000000, -0.0008975600000000, -0.0038912500000000 ] - [ 0.0007493700000000, 0.0000000000000000, -0.0033616400000000 ] - [ 0.0010715100000000, 0.0000000000000000, -0.0000428700000000 ] - [ -0.0012051400000000, 0.0008975600000000, -0.0038912500000000 ] - [ -0.0068265700000000, -0.0035821900000000, -0.0070975100000000 ] - [ 0.0021150600000000, 0.0000000000000000, 0.0013789300000000 ] - [ 0.0051478600000000, 0.0000000000000000, -0.0048920600000000 ] - [ 0.0042364400000000, -0.0001530200000000, -0.0033669700000000 ] - [ 0.0005110800000000, -0.0001873200000000, 0.0020124200000000 ] - [ -0.0016290300000000, 0.0000000000000000, -0.0010004600000000 ] - [ -0.0032297500000000, 0.0000000000000000, -0.0069950800000000 ] - [ 0.0014801300000000, -0.0002728900000000, -0.0009284200000000 ] - [ -0.0000350800000000, 0.0000000000000000, 0.0018358200000000 ] - [ -0.0005796100000000, 0.0000365200000000, 0.0017276000000000 ] - [ 0.0014801300000000, 0.0002728900000000, -0.0009284200000000 ] - [ 0.0000142700000000, 0.0000000000000000, 0.0009067000000000 ] - [ 0.0000321200000000, 0.0001643200000000, 0.0018289000000000 ] - [ 0.0004674400000000, 0.0000000000000000, 0.0017475800000000 ] - [ 0.0001311400000000, 0.0000000000000000, 0.0010538500000000 ] - [ -0.0000653100000000, 0.0000000000000000, 0.0024060700000000 ] - [ -0.0000285600000000, 0.0001229400000000, 0.0019662400000000 ] - [ 0.0000321200000000, -0.0001643200000000, 0.0018289000000000 ] - [ 0.0000409100000000, 0.0000000000000000, 0.0021600100000000 ] - [ -0.0000285600000000, -0.0001229400000000, 0.0019662400000000 ] - [ -0.0003139500000000, 0.0000000000000000, 0.0017845800000000 ] - [ 0.0002316800000000, 0.0000000000000000, 0.0019438700000000 ] - [ 0.0000792600000000, -0.0001753000000000, 0.0018926200000000 ] - [ 0.0001296000000000, 0.0001886600000000, 0.0019538600000000 ]- atom: 50 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001372100000000, 0.0000000000000000, 0.0001343700000000 ] - [ -0.0000539300000000, 0.0000000000000000, -0.0004234200000000 ] - [ 0.0000189300000000, 0.0000395500000000, -0.0000187200000000 ] - [ -0.0001208000000000, 0.0000000000000000, -0.0002999200000000 ] - [ 0.0001419700000000, -0.0000409400000000, -0.0000579100000000 ] - [ 0.0002684100000000, 0.0000461700000000, 0.0000097300000000 ] - [ -0.0000400100000000, 0.0000000000000000, 0.0000510300000000 ] - [ 0.0002684100000000, -0.0000461700000000, 0.0000097300000000 ] - [ -0.0000853400000000, 0.0000000000000000, 0.0000648500000000 ] - [ -0.0009805500000000, 0.0000000000000000, -0.0001767000000000 ] - [ -0.0040376000000000, -0.0002273400000000, -0.0049036100000000 ] - [ 0.0096701600000000, 0.0000000000000000, -0.0002477700000000 ] - [ 0.0003031200000000, 0.0000000000000000, 0.0010556900000000 ] - [ 0.0194624800000000, 0.0000000000000000, 0.0057067100000000 ] - [ -0.0040376000000000, 0.0002273400000000, -0.0049036100000000 ] - [ -0.0038195900000000, 0.0000000000000000, 0.0083669700000000 ] - [ 0.0083946500000000, -0.0047676400000000, 0.0084358000000000 ] - [ -0.0008397300000000, 0.0000000000000000, 0.0009227600000000 ] - [ -0.0006052100000000, 0.0002874400000000, 0.0001010000000000 ] - [ 0.0025748500000000, 0.0000000000000000, 0.0026189100000000 ] - [ 0.0083946500000000, 0.0047676400000000, 0.0084358000000000 ] - [ 0.0005491400000000, -0.0000945100000000, 0.0007709900000000 ] - [ -0.0066429000000000, 0.0000000000000000, 0.0005031700000000 ] - [ -0.0001804600000000, 0.0000000000000000, 0.0000198500000000 ] - [ 0.0001476400000000, 0.0000000000000000, 0.0004546200000000 ] - [ -0.0000702600000000, 0.0000000000000000, -0.0003529600000000 ] - [ 0.0001419700000000, 0.0000409400000000, -0.0000579100000000 ] - [ -0.0001081900000000, 0.0000000000000000, -0.0004164100000000 ] - [ 0.0000189300000000, -0.0000395500000000, -0.0000187200000000 ] - [ -0.0002960900000000, -0.0000247700000000, -0.0000064900000000 ] - [ -0.0001562000000000, 0.0000000000000000, 0.0001100600000000 ] - [ -0.0002960900000000, 0.0000247700000000, -0.0000064900000000 ] - [ -0.0001134100000000, 0.0000000000000000, 0.0000534500000000 ] - [ 0.0012850600000000, 0.0000000000000000, 0.0001328400000000 ] - [ 0.0047255400000000, 0.0003683000000000, 0.0019567700000000 ] - [ -0.0157670800000000, 0.0000000000000000, 0.0052735600000000 ] - [ 0.0003053800000000, 0.0000000000000000, -0.0012738900000000 ] - [ 0.0033220200000000, 0.0000000000000000, -0.0062079600000000 ] - [ 0.0047255400000000, -0.0003683000000000, 0.0019567700000000 ] - [ 0.0053312900000000, 0.0000000000000000, -0.0041308600000000 ] - [ 0.0080951600000000, -0.0086350600000000, -0.0110140500000000 ] - [ 0.0005100000000000, 0.0000000000000000, -0.0001898000000000 ] - [ 0.0005491400000000, 0.0000945100000000, 0.0007709900000000 ] - [ 0.0000670400000000, 0.0000000000000000, -0.0015122900000000 ] - [ 0.0080951600000000, 0.0086350600000000, -0.0110140500000000 ] - [ -0.0006052100000000, -0.0002874400000000, 0.0001010000000000 ] - [ 0.0036449400000000, 0.0000000000000000, 0.0001339700000000 ] - [ 0.0001940500000000, 0.0000000000000000, -0.0002755000000000 ] - [ 0.0005757800000000, 0.0000000000000000, -0.0008784500000000 ] - [ -0.1364280200000000, 0.0000000000000000, 0.0001634000000000 ] - [ -0.0006645700000000, 0.0000000000000000, 0.0020588100000000 ] - [ 0.0120160800000000, 0.0000000000000000, -0.0053507400000000 ] - [ -0.0009610300000000, 0.0000000000000000, 0.0004488600000000 ] - [ 0.0051571200000000, 0.0000000000000000, 0.0001276300000000 ] - [ 0.0006657000000000, 0.0000000000000000, -0.0010538400000000 ] - [ -0.0017488800000000, 0.0000000000000000, 0.0045552500000000 ] - [ 0.0000287700000000, 0.0000488300000000, 0.0001515500000000 ] - [ -0.0000849300000000, 0.0000000000000000, -0.0002623300000000 ] - [ -0.0000459100000000, -0.0000261200000000, 0.0000657800000000 ] - [ -0.0003878700000000, 0.0000000000000000, -0.0004658800000000 ] - [ -0.0001600900000000, -0.0001258300000000, -0.0002919600000000 ] - [ -0.0002139200000000, 0.0000000000000000, 0.0000190100000000 ] - [ -0.0002538400000000, 0.0000000000000000, -0.0000220800000000 ] - [ -0.0001024000000000, 0.0000084200000000, -0.0001506400000000 ] - [ -0.0006552100000000, 0.0000000000000000, -0.0002404900000000 ] - [ -0.0001600900000000, 0.0001258300000000, -0.0002919600000000 ] - [ -0.0001569100000000, 0.0000000000000000, -0.0002526800000000 ] - [ -0.0001024000000000, -0.0000084200000000, -0.0001506400000000 ] - [ -0.0017719900000000, 0.0000622900000000, 0.0004327400000000 ] - [ -0.0001480400000000, 0.0000000000000000, 0.0001762200000000 ] - [ 0.0002248800000000, 0.0000000000000000, 0.0000815800000000 ] - [ -0.0017719900000000, -0.0000622900000000, 0.0004327400000000 ] - [ 0.0002988000000000, -0.0002335600000000, 0.0003326300000000 ] - [ 0.0077141700000000, 0.0000000000000000, -0.0003618600000000 ] - [ 0.0013706900000000, 0.0000000000000000, 0.0002738500000000 ] - [ -0.0004554000000000, 0.0000898100000000, -0.0003005300000000 ] - [ 0.0231323600000000, 0.0264207800000000, 0.0109949600000000 ] - [ -0.0041663300000000, 0.0000000000000000, -0.0005812700000000 ] - [ -0.0006073200000000, 0.0000000000000000, -0.0026109700000000 ] - [ -0.0023607600000000, -0.0026135100000000, 0.0047262900000000 ] - [ -0.0043899900000000, 0.0000000000000000, 0.0050907200000000 ] - [ -0.0075506900000000, 0.0016469600000000, 0.0009856400000000 ] - [ -0.0023607600000000, 0.0026135100000000, 0.0047262900000000 ] - [ -0.0043029800000000, 0.0000000000000000, -0.0014453600000000 ] - [ -0.0003256000000000, 0.0001987100000000, -0.0009158700000000 ] - [ 0.0000016300000000, 0.0000000000000000, -0.0045425300000000 ] - [ -0.0086972800000000, 0.0000000000000000, -0.0035881600000000 ] - [ -0.0001938500000000, 0.0000000000000000, 0.0000458800000000 ] - [ -0.0031008700000000, 0.0007719600000000, -0.0008209400000000 ] - [ -0.0003256000000000, -0.0001987100000000, -0.0009158700000000 ] - [ -0.0007713800000000, 0.0000000000000000, 0.0005583900000000 ] - [ -0.0031008700000000, -0.0007719600000000, -0.0008209400000000 ] - [ -0.0000426700000000, 0.0000000000000000, 0.0001126800000000 ] - [ 0.0011786400000000, 0.0000000000000000, 0.0001247700000000 ] - [ -0.0003259200000000, 0.0001053500000000, 0.0005276700000000 ] - [ 0.0002284900000000, -0.0001679700000000, 0.0004716800000000 ] - [ -0.0000459100000000, 0.0000261200000000, 0.0000657800000000 ] - [ -0.0001189500000000, 0.0000000000000000, -0.0002541800000000 ] - [ 0.0000287700000000, -0.0000488300000000, 0.0001515500000000 ] - [ -0.0002978100000000, 0.0000000000000000, -0.0005479600000000 ] - [ -0.0001012100000000, -0.0001031900000000, -0.0003719400000000 ] - [ -0.0001752100000000, 0.0000000000000000, 0.0000056400000000 ] - [ -0.0001812000000000, 0.0000000000000000, -0.0001037100000000 ] - [ -0.0000668800000000, 0.0000071800000000, -0.0001738800000000 ] - [ -0.0002299200000000, 0.0000000000000000, -0.0005019900000000 ] - [ -0.0001012100000000, 0.0001031900000000, -0.0003719400000000 ] - [ -0.0000071300000000, 0.0000000000000000, -0.0002070800000000 ] - [ -0.0000668800000000, -0.0000071800000000, -0.0001738800000000 ] - [ 0.0016743200000000, 0.0002354400000000, -0.0000233100000000 ] - [ 0.0005553800000000, 0.0000000000000000, -0.0003068900000000 ] - [ 0.0003503200000000, 0.0000000000000000, 0.0001390900000000 ] - [ 0.0016743200000000, -0.0002354400000000, -0.0000233100000000 ] - [ -0.0004554000000000, -0.0000898100000000, -0.0003005300000000 ] - [ -0.0041771100000000, 0.0000000000000000, -0.0002047900000000 ] - [ -0.0015090700000000, 0.0000000000000000, -0.0019683100000000 ] - [ 0.0002988000000000, 0.0002335600000000, 0.0003326300000000 ] - [ -0.0075506900000000, -0.0016469600000000, 0.0009856400000000 ] - [ 0.0053821300000000, 0.0000000000000000, 0.0017167700000000 ] - [ 0.0009999900000000, 0.0000000000000000, 0.0021611100000000 ] - [ -0.0040082900000000, -0.0016738400000000, -0.0066374400000000 ] - [ -0.0006307100000000, 0.0000000000000000, -0.0047053800000000 ] - [ 0.0231323600000000, -0.0264207800000000, 0.0109949600000000 ] - [ -0.0040082900000000, 0.0016738400000000, -0.0066374400000000 ] - [ 0.0615930700000000, 0.0000000000000000, -0.0217594700000000 ] - [ 0.0001086900000000, 0.0002428600000000, 0.0010449600000000 ] - [ -0.0010754100000000, 0.0000000000000000, 0.0020180200000000 ] - [ 0.0034622500000000, 0.0000000000000000, 0.0031184900000000 ] - [ 0.0000516500000000, 0.0000000000000000, 0.0007036700000000 ] - [ 0.0044405800000000, 0.0015960200000000, 0.0031071800000000 ] - [ 0.0001086900000000, -0.0002428600000000, 0.0010449600000000 ] - [ 0.0008364900000000, 0.0000000000000000, 0.0011082100000000 ] - [ 0.0044405800000000, -0.0015960200000000, 0.0031071800000000 ] - [ 0.0001574800000000, 0.0000000000000000, 0.0005044800000000 ] - [ -0.0005745400000000, 0.0000000000000000, -0.0000476300000000 ] - [ 0.0002284900000000, 0.0001679700000000, 0.0004716800000000 ] - [ -0.0003259200000000, -0.0001053500000000, 0.0005276700000000 ]- atom: 50 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001511500000000, 0.0000000000000000, 0.0004555400000000 ] - [ -0.0000703200000000, 0.0000000000000000, -0.0003557700000000 ] - [ 0.0001399900000000, 0.0000395600000000, -0.0000549900000000 ] - [ -0.0001067400000000, 0.0000000000000000, -0.0004149100000000 ] - [ 0.0000168600000000, -0.0000379600000000, -0.0000155700000000 ] - [ -0.0003096800000000, -0.0000368100000000, -0.0000014500000000 ] - [ -0.0001603800000000, 0.0000000000000000, 0.0001113500000000 ] - [ -0.0003096800000000, 0.0000368100000000, -0.0000014500000000 ] - [ -0.0001124700000000, 0.0000000000000000, 0.0000544400000000 ] - [ 0.0009699700000000, 0.0000000000000000, 0.0001416100000000 ] - [ 0.0041540800000000, 0.0000509100000000, 0.0042117400000000 ] - [ -0.0095352300000000, 0.0000000000000000, -0.0001318700000000 ] - [ 0.0003080500000000, 0.0000000000000000, -0.0012921000000000 ] - [ -0.0195629300000000, 0.0000000000000000, -0.0063372200000000 ] - [ 0.0041540800000000, -0.0000509100000000, 0.0042117400000000 ] - [ 0.0046278300000000, 0.0000000000000000, -0.0087290200000000 ] - [ -0.0083274300000000, 0.0047597100000000, -0.0083663300000000 ] - [ 0.0005949300000000, 0.0000000000000000, -0.0003369400000000 ] - [ 0.0003880800000000, -0.0000519900000000, 0.0008442800000000 ] - [ -0.0021716100000000, 0.0000000000000000, -0.0015192600000000 ] - [ -0.0083274300000000, -0.0047597100000000, -0.0083663300000000 ] - [ -0.0007695300000000, -0.0001408200000000, 0.0001782700000000 ] - [ 0.0070345000000000, 0.0000000000000000, 0.0002054300000000 ] - [ 0.0002428800000000, 0.0000000000000000, -0.0002729700000000 ] - [ 0.0001401500000000, 0.0000000000000000, 0.0001357100000000 ] - [ -0.0000550000000000, 0.0000000000000000, -0.0004254500000000 ] - [ 0.0000168600000000, 0.0000379600000000, -0.0000155700000000 ] - [ -0.0001218900000000, 0.0000000000000000, -0.0002973100000000 ] - [ 0.0001399900000000, -0.0000395600000000, -0.0000549900000000 ] - [ 0.0002577600000000, 0.0000341500000000, 0.0000198500000000 ] - [ -0.0000430500000000, 0.0000000000000000, 0.0000531500000000 ] - [ 0.0002577600000000, -0.0000341500000000, 0.0000198500000000 ] - [ -0.0000847900000000, 0.0000000000000000, 0.0000671900000000 ] - [ -0.0012940700000000, 0.0000000000000000, -0.0001933700000000 ] - [ -0.0045450600000000, -0.0005167300000000, -0.0027192100000000 ] - [ 0.0159361200000000, 0.0000000000000000, -0.0057644300000000 ] - [ 0.0002932800000000, 0.0000000000000000, 0.0010455300000000 ] - [ -0.0033861700000000, 0.0000000000000000, 0.0056253400000000 ] - [ -0.0045450600000000, 0.0005167300000000, -0.0027192100000000 ] - [ -0.0046177300000000, 0.0000000000000000, 0.0037709600000000 ] - [ -0.0080027400000000, 0.0087131600000000, 0.0110718300000000 ] - [ -0.0007504200000000, 0.0000000000000000, 0.0007768200000000 ] - [ -0.0007695300000000, 0.0001408200000000, 0.0001782700000000 ] - [ 0.0003564700000000, 0.0000000000000000, 0.0025977000000000 ] - [ -0.0080027400000000, -0.0087131600000000, 0.0110718300000000 ] - [ 0.0003880800000000, 0.0000519900000000, 0.0008442800000000 ] - [ -0.0032490200000000, 0.0000000000000000, 0.0006313000000000 ] - [ -0.0001299600000000, 0.0000000000000000, 0.0000233100000000 ] - [ -0.0007534500000000, 0.0000000000000000, 0.0004473100000000 ] - [ 0.1404416600000000, 0.0000000000000000, -0.0033364300000000 ] - [ 0.0009246200000000, 0.0000000000000000, -0.0010440600000000 ] - [ -0.0119236700000000, 0.0000000000000000, 0.0047618000000000 ] - [ 0.0008055300000000, 0.0000000000000000, -0.0008742900000000 ] - [ -0.0051040000000000, 0.0000000000000000, -0.0000803500000000 ] - [ -0.0004002600000000, 0.0000000000000000, 0.0020782300000000 ] - [ 0.0018004100000000, 0.0000000000000000, -0.0050792300000000 ] - [ -0.0000452100000000, 0.0000254600000000, 0.0000674400000000 ] - [ -0.0001199000000000, 0.0000000000000000, -0.0002559100000000 ] - [ 0.0000297000000000, -0.0000480600000000, 0.0001530000000000 ] - [ -0.0002987200000000, 0.0000000000000000, -0.0005542800000000 ] - [ -0.0001011100000000, -0.0001011800000000, -0.0003748000000000 ] - [ -0.0001756200000000, 0.0000000000000000, 0.0000044800000000 ] - [ -0.0001867200000000, 0.0000000000000000, -0.0001048200000000 ] - [ -0.0000680100000000, 0.0000074500000000, -0.0001754100000000 ] - [ -0.0002443000000000, 0.0000000000000000, -0.0005019800000000 ] - [ -0.0001011100000000, 0.0001011800000000, -0.0003748000000000 ] - [ -0.0000089600000000, 0.0000000000000000, -0.0002004200000000 ] - [ -0.0000680100000000, -0.0000074500000000, -0.0001754100000000 ] - [ 0.0017250900000000, 0.0000227100000000, -0.0005382800000000 ] - [ 0.0005454200000000, 0.0000000000000000, -0.0003391700000000 ] - [ 0.0003514100000000, 0.0000000000000000, 0.0001385500000000 ] - [ 0.0017250900000000, -0.0000227100000000, -0.0005382800000000 ] - [ -0.0004027400000000, -0.0000659800000000, -0.0002913500000000 ] - [ -0.0078532500000000, 0.0000000000000000, 0.0010372000000000 ] - [ -0.0017119500000000, 0.0000000000000000, -0.0009760100000000 ] - [ 0.0003498400000000, 0.0002074400000000, 0.0003495500000000 ] - [ -0.0231030200000000, -0.0258226100000000, -0.0103563700000000 ] - [ 0.0044336500000000, 0.0000000000000000, 0.0001004600000000 ] - [ 0.0009419300000000, 0.0000000000000000, 0.0021915100000000 ] - [ 0.0021974800000000, 0.0025148900000000, -0.0057046900000000 ] - [ 0.0045907400000000, 0.0000000000000000, -0.0047671900000000 ] - [ 0.0074901600000000, -0.0015530100000000, -0.0007041100000000 ] - [ 0.0021974800000000, -0.0025148900000000, -0.0057046900000000 ] - [ 0.0039605000000000, 0.0000000000000000, 0.0010324800000000 ] - [ 0.0003687600000000, 0.0001281600000000, 0.0013221400000000 ] - [ 0.0008417500000000, 0.0000000000000000, 0.0048285800000000 ] - [ 0.0087578900000000, 0.0000000000000000, 0.0032512400000000 ] - [ 0.0001050600000000, 0.0000000000000000, 0.0007008400000000 ] - [ 0.0030899600000000, -0.0003879000000000, 0.0017140700000000 ] - [ 0.0003687600000000, -0.0001281600000000, 0.0013221400000000 ] - [ 0.0009034800000000, 0.0000000000000000, 0.0005482000000000 ] - [ 0.0030899600000000, 0.0003879000000000, 0.0017140700000000 ] - [ 0.0001567400000000, 0.0000000000000000, 0.0005658500000000 ] - [ -0.0007752300000000, 0.0000000000000000, -0.0000403100000000 ] - [ 0.0001852300000000, 0.0001432700000000, 0.0004384800000000 ] - [ -0.0003675500000000, -0.0000803200000000, 0.0004959200000000 ] - [ 0.0000297000000000, 0.0000480600000000, 0.0001530000000000 ] - [ -0.0000855600000000, 0.0000000000000000, -0.0002642300000000 ] - [ -0.0000452100000000, -0.0000254600000000, 0.0000674400000000 ] - [ -0.0003886400000000, 0.0000000000000000, -0.0004722100000000 ] - [ -0.0001616800000000, -0.0001240200000000, -0.0002955800000000 ] - [ -0.0002149400000000, 0.0000000000000000, 0.0000180100000000 ] - [ -0.0002590500000000, 0.0000000000000000, -0.0000227500000000 ] - [ -0.0001036600000000, 0.0000086500000000, -0.0001526300000000 ] - [ -0.0006737000000000, 0.0000000000000000, -0.0002431400000000 ] - [ -0.0001616800000000, 0.0001240200000000, -0.0002955800000000 ] - [ -0.0001588100000000, 0.0000000000000000, -0.0002481200000000 ] - [ -0.0001036600000000, -0.0000086500000000, -0.0001526300000000 ] - [ -0.0017422600000000, -0.0001618600000000, -0.0001201800000000 ] - [ -0.0001659700000000, 0.0000000000000000, 0.0001392800000000 ] - [ 0.0002258100000000, 0.0000000000000000, 0.0000786200000000 ] - [ -0.0017422600000000, 0.0001618600000000, -0.0001201800000000 ] - [ 0.0003498400000000, -0.0002074400000000, 0.0003495500000000 ] - [ 0.0040770800000000, 0.0000000000000000, 0.0003337300000000 ] - [ 0.0011423000000000, 0.0000000000000000, 0.0012975200000000 ] - [ -0.0004027400000000, 0.0000659800000000, -0.0002913500000000 ] - [ 0.0074901600000000, 0.0015530100000000, -0.0007041100000000 ] - [ -0.0050909200000000, 0.0000000000000000, -0.0022428800000000 ] - [ -0.0006394600000000, 0.0000000000000000, -0.0025918200000000 ] - [ 0.0038443600000000, 0.0016300500000000, 0.0056695100000000 ] - [ 0.0008772400000000, 0.0000000000000000, 0.0050620200000000 ] - [ -0.0231030200000000, 0.0258226100000000, -0.0103563700000000 ] - [ 0.0038443600000000, -0.0016300500000000, 0.0056695100000000 ] - [ -0.0657235400000000, 0.0000000000000000, 0.0231237700000000 ] - [ -0.0000720500000000, 0.0000833200000000, -0.0006384100000000 ] - [ 0.0018781500000000, 0.0000000000000000, -0.0017325300000000 ] - [ -0.0033688100000000, 0.0000000000000000, -0.0034074500000000 ] - [ -0.0001418500000000, 0.0000000000000000, 0.0000438900000000 ] - [ -0.0044769600000000, -0.0012204100000000, -0.0021935600000000 ] - [ -0.0000720500000000, -0.0000833200000000, -0.0006384100000000 ] - [ -0.0007059700000000, 0.0000000000000000, 0.0000051500000000 ] - [ -0.0044769600000000, 0.0012204100000000, -0.0021935600000000 ] - [ -0.0000451200000000, 0.0000000000000000, 0.0001750900000000 ] - [ 0.0009761400000000, 0.0000000000000000, 0.0001246600000000 ] - [ -0.0003675500000000, 0.0000803200000000, 0.0004959200000000 ] - [ 0.0001852300000000, -0.0001432700000000, 0.0004384800000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001448000000000, -0.0000033400000000, 0.0002932300000000 ] - [ -0.0000620300000000, 0.0000009600000000, -0.0003896800000000 ] - [ 0.0000808100000000, 0.0000392900000000, -0.0000365300000000 ] - [ -0.0001146400000000, -0.0000011500000000, -0.0003577300000000 ] - [ 0.0000794100000000, -0.0000393200000000, -0.0000384300000000 ] - [ -0.0000123000000000, 0.0000040200000000, 0.0000132700000000 ] - [ -0.0000988900000000, 0.0000005700000000, 0.0000807700000000 ] - [ -0.0000250600000000, -0.0000052900000000, -0.0000032400000000 ] - [ -0.0000983500000000, -0.0000010500000000, 0.0000589400000000 ] - [ 0.0000002100000000, 0.0001071700000000, -0.0000224600000000 ] - [ -0.0004367000000000, 0.0005119500000000, -0.0049433300000000 ] - [ 0.0000452600000000, 0.0003652700000000, -0.0002074600000000 ] - [ 0.0003034300000000, 0.0000194100000000, -0.0001136100000000 ] - [ 0.0000617600000000, -0.0024168000000000, -0.0003069000000000 ] - [ 0.0006489100000000, 0.0007756400000000, 0.0041689000000000 ] - [ 0.0003798500000000, -0.0021397700000000, -0.0001373500000000 ] - [ -0.0087426800000000, 0.0006218400000000, -0.0062882900000000 ] - [ -0.0001193000000000, 0.0000710800000000, 0.0002920000000000 ] - [ -0.0000091000000000, 0.0001140700000000, 0.0005765300000000 ] - [ 0.0002045400000000, 0.0002359000000000, 0.0005421800000000 ] - [ 0.0088367400000000, 0.0005485300000000, 0.0062842500000000 ] - [ -0.0001558800000000, -0.0001216600000000, 0.0004461500000000 ] - [ 0.0002027800000000, -0.0033413400000000, 0.0003593400000000 ] - [ 0.0000326400000000, -0.0000190600000000, -0.0001265900000000 ] - [ 0.0001447700000000, -0.0000010400000000, 0.0002926200000000 ] - [ -0.0000619700000000, 0.0000011200000000, -0.0003897700000000 ] - [ 0.0000809400000000, 0.0000391200000000, -0.0000358700000000 ] - [ -0.0001146900000000, -0.0000019100000000, -0.0003577600000000 ] - [ 0.0000796400000000, -0.0000394100000000, -0.0000379900000000 ] - [ -0.0000106800000000, 0.0000043400000000, 0.0000148800000000 ] - [ -0.0000988400000000, 0.0000020000000000, 0.0000807300000000 ] - [ -0.0000268100000000, -0.0000045200000000, -0.0000045900000000 ] - [ -0.0000983300000000, -0.0000019200000000, 0.0000588900000000 ] - [ -0.0000021300000000, 0.0001760300000000, -0.0000247100000000 ] - [ 0.0009158400000000, 0.0000247200000000, 0.0002930300000000 ] - [ 0.0001128700000000, 0.0236998000000000, -0.0001340300000000 ] - [ 0.0003025300000000, -0.0000310900000000, -0.0001176700000000 ] - [ 0.0001315900000000, 0.0252398800000000, -0.0002958500000000 ] - [ -0.0007211300000000, 0.0001744400000000, -0.0010328100000000 ] - [ 0.0003606700000000, 0.0023999000000000, -0.0001644700000000 ] - [ -0.0045463800000000, 0.0005748500000000, 0.0014638900000000 ] - [ -0.0001214000000000, 0.0001732700000000, 0.0002936300000000 ] - [ -0.0000633800000000, 0.0001147400000000, 0.0004992200000000 ] - [ 0.0002095200000000, 0.0019825300000000, 0.0005495500000000 ] - [ 0.0046376700000000, 0.0005949300000000, -0.0014358800000000 ] - [ -0.0002069200000000, -0.0001214500000000, 0.0003710200000000 ] - [ 0.0001908000000000, -0.0000422200000000, 0.0003787600000000 ] - [ 0.0000320700000000, -0.0000287700000000, -0.0001260900000000 ] - [ -0.0000851100000000, -0.0001824900000000, -0.0002127500000000 ] - [ -0.0018746400000000, -0.1338523800000000, -0.0015608700000000 ] - [ 0.0001332300000000, -0.0000848800000000, 0.0005087000000000 ] - [ -0.0000300500000000, -0.0027232800000000, -0.0002483700000000 ] - [ -0.0000851800000000, -0.0000453200000000, -0.0002156100000000 ] - [ 0.0000239900000000, 0.0000154600000000, 0.0000210000000000 ] - [ 0.0001307900000000, -0.0001868000000000, 0.0005105100000000 ] - [ -0.0000847200000000, 0.0126916900000000, -0.0003079700000000 ] - [ -0.0000071100000000, 0.0000367100000000, 0.0001053100000000 ] - [ -0.0001017200000000, -0.0000005200000000, -0.0002609600000000 ] - [ -0.0000079100000000, -0.0000384700000000, 0.0001100500000000 ] - [ -0.0003430400000000, -0.0000016400000000, -0.0005119100000000 ] - [ -0.0001298000000000, -0.0001135500000000, -0.0003322900000000 ] - [ -0.0001942800000000, -0.0000003300000000, 0.0000099800000000 ] - [ -0.0002195000000000, 0.0000018500000000, -0.0000648600000000 ] - [ -0.0000844000000000, 0.0000076300000000, -0.0001648300000000 ] - [ -0.0004504500000000, 0.0000117700000000, -0.0003710300000000 ] - [ -0.0001294000000000, 0.0001124900000000, -0.0003356100000000 ] - [ -0.0000822400000000, 0.0000007900000000, -0.0002283200000000 ] - [ -0.0000844000000000, -0.0000085600000000, -0.0001646800000000 ] - [ -0.0003213000000000, -0.0000478100000000, 0.0002605900000000 ] - [ 0.0001964500000000, -0.0000211900000000, -0.0000797500000000 ] - [ 0.0002887900000000, -0.0000012600000000, 0.0001106600000000 ] - [ 0.0002702500000000, -0.0001331800000000, -0.0003733000000000 ] - [ -0.0000528600000000, -0.0001504700000000, 0.0000451200000000 ] - [ -0.0000452800000000, 0.0044086700000000, 0.0003408300000000 ] - [ -0.0001752800000000, 0.0001606600000000, -0.0003533500000000 ] - [ -0.0000167000000000, 0.0001590100000000, 0.0000019500000000 ] - [ 0.0247103700000000, 0.0456849100000000, 0.0207846900000000 ] - [ 0.0001352800000000, 0.0007984700000000, -0.0002459200000000 ] - [ 0.0001711500000000, 0.0004775500000000, -0.0002182100000000 ] - [ -0.0019579900000000, -0.0018486600000000, 0.0026892500000000 ] - [ 0.0001018200000000, 0.0000776000000000, 0.0001648100000000 ] - [ -0.0005682600000000, 0.0002902800000000, -0.0001106000000000 ] - [ 0.0017548100000000, -0.0018141100000000, -0.0037043600000000 ] - [ -0.0001772600000000, -0.0052693900000000, -0.0002069400000000 ] - [ -0.0000304600000000, 0.0001415800000000, 0.0000562400000000 ] - [ 0.0004093100000000, 0.0027903200000000, 0.0001465100000000 ] - [ 0.0000681900000000, 0.0027253700000000, -0.0001344100000000 ] - [ -0.0000439300000000, -0.0000186000000000, 0.0003731900000000 ] - [ -0.0000076100000000, 0.0001838300000000, 0.0003972400000000 ] - [ 0.0000724300000000, -0.0001847700000000, 0.0003520400000000 ] - [ 0.0000671100000000, -0.0000093700000000, 0.0005552700000000 ] - [ 0.0000013300000000, -0.0001863900000000, 0.0005159000000000 ] - [ 0.0000573200000000, 0.0000188700000000, 0.0003383700000000 ] - [ 0.0002003400000000, 0.0002127700000000, 0.0000395100000000 ] - [ -0.0000393900000000, 0.0001333600000000, 0.0004527100000000 ] - [ -0.0000644500000000, -0.0001202500000000, 0.0005071300000000 ] - [ -0.0000064400000000, 0.0000368000000000, 0.0001052400000000 ] - [ -0.0001017300000000, -0.0000006300000000, -0.0002609700000000 ] - [ -0.0000073800000000, -0.0000384700000000, 0.0001096600000000 ] - [ -0.0003431600000000, -0.0000015400000000, -0.0005117700000000 ] - [ -0.0001298900000000, -0.0001134600000000, -0.0003312800000000 ] - [ -0.0001943800000000, -0.0000004900000000, 0.0000099400000000 ] - [ -0.0002195600000000, 0.0000017800000000, -0.0000647300000000 ] - [ -0.0000843900000000, 0.0000075500000000, -0.0001647700000000 ] - [ -0.0004507600000000, 0.0000197900000000, -0.0003708800000000 ] - [ -0.0001292000000000, 0.0001124100000000, -0.0003366300000000 ] - [ -0.0000821600000000, 0.0000007400000000, -0.0002283200000000 ] - [ -0.0000844300000000, -0.0000085700000000, -0.0001647600000000 ] - [ 0.0004751200000000, 0.0002547600000000, 0.0005008200000000 ] - [ 0.0001974400000000, -0.0000336600000000, -0.0000801500000000 ] - [ 0.0002888300000000, -0.0000020200000000, 0.0001106200000000 ] - [ -0.0005252500000000, 0.0001944100000000, -0.0006210900000000 ] - [ -0.0000878500000000, -0.0001374300000000, 0.0000456600000000 ] - [ -0.0000524900000000, -0.0006477400000000, 0.0000619900000000 ] - [ -0.0001818700000000, -0.0003487100000000, -0.0003420100000000 ] - [ -0.0000509900000000, 0.0001476500000000, 0.0000024000000000 ] - [ 0.0005234100000000, 0.0001831200000000, 0.0004097300000000 ] - [ 0.0001035100000000, -0.0093278400000000, -0.0001743600000000 ] - [ 0.0001628300000000, -0.0004188600000000, -0.0002070300000000 ] - [ -0.0024381600000000, 0.0003839300000000, -0.0023023200000000 ] - [ 0.0001112400000000, -0.0054025900000000, 0.0001764100000000 ] - [ -0.0231661400000000, 0.0435327300000000, -0.0191955700000000 ] - [ 0.0022660500000000, 0.0004721100000000, 0.0012875600000000 ] - [ -0.0000194300000000, 0.0069595600000000, -0.0002612100000000 ] - [ 0.0001836900000000, 0.0000540100000000, -0.0001322500000000 ] - [ 0.0004169000000000, -0.0002379900000000, 0.0001349600000000 ] - [ 0.0001060200000000, -0.0077771500000000, -0.0001793000000000 ] - [ -0.0000442200000000, -0.0000362400000000, 0.0003721300000000 ] - [ 0.0019341000000000, -0.0006173100000000, -0.0018923300000000 ] - [ -0.0001422600000000, -0.0002726500000000, 0.0005343800000000 ] - [ 0.0000654300000000, -0.0003149200000000, 0.0005544600000000 ] - [ -0.0019505500000000, -0.0010161600000000, 0.0027873800000000 ] - [ 0.0000570300000000, 0.0000362600000000, 0.0003378300000000 ] - [ 0.0002034000000000, -0.0000103100000000, 0.0000397000000000 ] - [ -0.0000748000000000, 0.0001282700000000, 0.0004565900000000 ] - [ -0.0000982400000000, -0.0001154000000000, 0.0005109200000000 ]- atom: 50 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0000928300000000, 0.0000000000000000, 0.0030881000000000 ] - [ -0.0000980000000000, 0.0000000000000000, 0.0019754400000000 ] - [ 0.0001234100000000, 0.0000332600000000, 0.0023878300000000 ] - [ -0.0000006500000000, 0.0000000000000000, 0.0019612200000000 ] - [ 0.0000764700000000, -0.0000274100000000, 0.0023251500000000 ] - [ 0.0000207800000000, 0.0000761700000000, 0.0024676700000000 ] - [ -0.0000597900000000, 0.0000000000000000, 0.0026639500000000 ] - [ 0.0000207800000000, -0.0000761700000000, 0.0024676700000000 ] - [ -0.0001867100000000, 0.0000000000000000, 0.0025141000000000 ] - [ -0.0001296800000000, 0.0000000000000000, 0.0047509300000000 ] - [ -0.0073935200000000, -0.0089538100000000, 0.0103142700000000 ] - [ 0.0016741100000000, 0.0000000000000000, -0.0027384900000000 ] - [ 0.0010705800000000, 0.0000000000000000, 0.0017227800000000 ] - [ 0.0042033900000000, 0.0000000000000000, -0.0147726400000000 ] - [ -0.0073935200000000, 0.0089538100000000, 0.0103142700000000 ] - [ 0.0131326000000000, 0.0000000000000000, 0.0111766300000000 ] - [ 0.0092927200000000, -0.0043875500000000, 0.0007225600000000 ] - [ 0.0002638600000000, 0.0000000000000000, 0.0029807400000000 ] - [ -0.0005081900000000, 0.0001361500000000, 0.0032545200000000 ] - [ 0.0033663300000000, 0.0000000000000000, 0.0032702000000000 ] - [ 0.0092927200000000, 0.0043875500000000, 0.0007225600000000 ] - [ 0.0003180400000000, -0.0001187000000000, 0.0025370500000000 ] - [ -0.0006168800000000, 0.0000000000000000, 0.0123751300000000 ] - [ 0.0001763700000000, 0.0000000000000000, 0.0027876200000000 ] - [ 0.0001822500000000, 0.0000000000000000, 0.0030454200000000 ] - [ -0.0000732000000000, 0.0000000000000000, 0.0020053700000000 ] - [ 0.0000764700000000, 0.0000274100000000, 0.0023251500000000 ] - [ -0.0003222100000000, 0.0000000000000000, 0.0020580700000000 ] - [ 0.0001234100000000, -0.0000332600000000, 0.0023878300000000 ] - [ 0.0003052100000000, 0.0000478300000000, 0.0031271300000000 ] - [ 0.0000858000000000, 0.0000000000000000, 0.0027978600000000 ] - [ 0.0003052100000000, -0.0000478300000000, 0.0031271300000000 ] - [ -0.0002160400000000, 0.0000000000000000, 0.0026847500000000 ] - [ 0.0003745400000000, 0.0000000000000000, 0.0014554000000000 ] - [ 0.0025129400000000, -0.0002896300000000, -0.0009288100000000 ] - [ -0.0017294200000000, 0.0000000000000000, 0.0022868600000000 ] - [ -0.0006231300000000, 0.0000000000000000, 0.0022383700000000 ] - [ -0.0007154500000000, 0.0000000000000000, -0.0236577800000000 ] - [ 0.0025129400000000, 0.0002896300000000, -0.0009288100000000 ] - [ -0.0017030700000000, 0.0000000000000000, -0.0002860900000000 ] - [ -0.0071036600000000, 0.0017683700000000, -0.0018588100000000 ] - [ -0.0005238500000000, 0.0000000000000000, 0.0024935100000000 ] - [ 0.0003180400000000, 0.0001187000000000, 0.0025370500000000 ] - [ -0.0025737700000000, 0.0000000000000000, 0.0044073200000000 ] - [ -0.0071036600000000, -0.0017683700000000, -0.0018588100000000 ] - [ -0.0005081900000000, -0.0001361500000000, 0.0032545200000000 ] - [ 0.0004084500000000, 0.0000000000000000, 0.0009559900000000 ] - [ -0.0001319200000000, 0.0000000000000000, 0.0026096200000000 ] - [ -0.0014784900000000, 0.0000000000000000, 0.0009448000000000 ] - [ -0.0184699700000000, 0.0000000000000000, -0.1813809000000000 ] - [ 0.0006795900000000, 0.0000000000000000, 0.0025433900000000 ] - [ -0.0035972300000000, 0.0000000000000000, -0.0074770500000000 ] - [ 0.0011258200000000, 0.0000000000000000, 0.0017968200000000 ] - [ 0.0008638000000000, 0.0000000000000000, -0.0058729000000000 ] - [ -0.0004501800000000, 0.0000000000000000, 0.0015014500000000 ] - [ 0.0047497400000000, 0.0000000000000000, -0.0076945300000000 ] - [ -0.0001655900000000, -0.0002740900000000, -0.0014415400000000 ] - [ -0.0001579000000000, 0.0000000000000000, -0.0022216300000000 ] - [ -0.0001830100000000, 0.0002669400000000, -0.0014149900000000 ] - [ 0.0000256300000000, 0.0000000000000000, -0.0020348500000000 ] - [ -0.0002356900000000, 0.0000230900000000, -0.0018338900000000 ] - [ -0.0000640500000000, 0.0000000000000000, -0.0016559500000000 ] - [ -0.0001932200000000, 0.0000000000000000, -0.0020959500000000 ] - [ -0.0000835800000000, 0.0000928400000000, -0.0018418300000000 ] - [ -0.0000761200000000, 0.0000000000000000, -0.0019574300000000 ] - [ -0.0002356900000000, -0.0000230900000000, -0.0018338900000000 ] - [ 0.0000234800000000, 0.0000000000000000, -0.0018309100000000 ] - [ -0.0000835800000000, -0.0000928400000000, -0.0018418300000000 ] - [ 0.0004499200000000, 0.0000941500000000, -0.0000280500000000 ] - [ 0.0006592200000000, 0.0000000000000000, -0.0014496900000000 ] - [ 0.0004995600000000, 0.0000000000000000, -0.0016008300000000 ] - [ 0.0004499200000000, -0.0000941500000000, -0.0000280500000000 ] - [ -0.0000549800000000, -0.0005325000000000, -0.0020529100000000 ] - [ -0.0000541600000000, 0.0000000000000000, 0.1048313700000000 ] - [ 0.0029147000000000, 0.0000000000000000, -0.0049534100000000 ] - [ -0.0004025200000000, 0.0001870200000000, -0.0011426100000000 ] - [ 0.0136874500000000, 0.0246809000000000, 0.0231964000000000 ] - [ -0.0015256800000000, 0.0000000000000000, 0.0031249600000000 ] - [ -0.0013301100000000, 0.0000000000000000, -0.0007426600000000 ] - [ 0.0046726200000000, 0.0023221000000000, 0.0039249000000000 ] - [ 0.0013378900000000, 0.0000000000000000, 0.0017694500000000 ] - [ 0.0009289500000000, -0.0006848800000000, 0.0042204300000000 ] - [ 0.0046726200000000, -0.0023221000000000, 0.0039249000000000 ] - [ -0.0047862000000000, 0.0000000000000000, 0.0040054000000000 ] - [ -0.0006408500000000, 0.0003847600000000, -0.0017291300000000 ] - [ -0.0044930700000000, 0.0000000000000000, -0.0034529400000000 ] - [ -0.0041522800000000, 0.0000000000000000, 0.0032664900000000 ] - [ -0.0002079700000000, 0.0000000000000000, -0.0016932000000000 ] - [ -0.0013775000000000, 0.0005522000000000, 0.0007286500000000 ] - [ -0.0006408500000000, -0.0003847600000000, -0.0017291300000000 ] - [ -0.0002338600000000, 0.0000000000000000, -0.0004785300000000 ] - [ -0.0013775000000000, -0.0005522000000000, 0.0007286500000000 ] - [ 0.0002206000000000, 0.0000000000000000, -0.0011190100000000 ] - [ 0.0002870600000000, 0.0000000000000000, -0.0027149100000000 ] - [ -0.0001168000000000, 0.0004164600000000, -0.0008811700000000 ] - [ -0.0003812400000000, -0.0004807700000000, -0.0012004800000000 ] - [ -0.0001830100000000, -0.0002669400000000, -0.0014149900000000 ] - [ -0.0001006600000000, 0.0000000000000000, -0.0022081100000000 ] - [ -0.0001655900000000, 0.0002740900000000, -0.0014415400000000 ] - [ -0.0000228600000000, 0.0000000000000000, -0.0020719900000000 ] - [ -0.0004627000000000, -0.0000088000000000, -0.0019540000000000 ] - [ -0.0001344600000000, 0.0000000000000000, -0.0016639400000000 ] - [ -0.0002580300000000, 0.0000000000000000, -0.0021848100000000 ] - [ -0.0001257100000000, 0.0001037500000000, -0.0019178100000000 ] - [ -0.0005463000000000, 0.0000000000000000, -0.0023436900000000 ] - [ -0.0004627000000000, 0.0000088000000000, -0.0019540000000000 ] - [ 0.0000162600000000, 0.0000000000000000, -0.0020793700000000 ] - [ -0.0001257100000000, -0.0001037500000000, -0.0019178100000000 ] - [ -0.0015310200000000, -0.0017307500000000, -0.0050834300000000 ] - [ -0.0002249600000000, 0.0000000000000000, -0.0022043000000000 ] - [ 0.0005047300000000, 0.0000000000000000, -0.0019153400000000 ] - [ -0.0015310200000000, 0.0017307500000000, -0.0050834300000000 ] - [ -0.0004025200000000, -0.0001870200000000, -0.0011426100000000 ] - [ -0.0005368200000000, 0.0000000000000000, 0.0025063400000000 ] - [ -0.0013427100000000, 0.0000000000000000, -0.0008362200000000 ] - [ -0.0000549800000000, 0.0005325000000000, -0.0020529100000000 ] - [ 0.0009289500000000, 0.0006848800000000, 0.0042204300000000 ] - [ 0.0033812200000000, 0.0000000000000000, 0.0036943100000000 ] - [ 0.0015985000000000, 0.0000000000000000, -0.0010870600000000 ] - [ -0.0064628100000000, -0.0015756900000000, 0.0019635500000000 ] - [ -0.0018585100000000, 0.0000000000000000, -0.0001589100000000 ] - [ 0.0136874500000000, -0.0246809000000000, 0.0231964000000000 ] - [ -0.0064628100000000, 0.0015756900000000, 0.0019635500000000 ] - [ -0.0122696900000000, 0.0000000000000000, 0.0177044500000000 ] - [ 0.0007411600000000, 0.0001457100000000, -0.0014507100000000 ] - [ 0.0021040200000000, 0.0000000000000000, 0.0007971500000000 ] - [ 0.0034690500000000, 0.0000000000000000, 0.0051824500000000 ] - [ 0.0001083900000000, 0.0000000000000000, -0.0018081700000000 ] - [ 0.0029650200000000, -0.0023423800000000, -0.0020318600000000 ] - [ 0.0007411600000000, -0.0001457100000000, -0.0014507100000000 ] - [ 0.0001535600000000, 0.0000000000000000, -0.0018610300000000 ] - [ 0.0029650200000000, 0.0023423800000000, -0.0020318600000000 ] - [ 0.0006309400000000, 0.0000000000000000, -0.0012599300000000 ] - [ 0.0001537800000000, 0.0000000000000000, -0.0011652300000000 ] - [ -0.0003812400000000, 0.0004807700000000, -0.0012004800000000 ] - [ -0.0001168000000000, -0.0004164600000000, -0.0008811700000000 ]- atom: 50 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001959800000000, 0.0000000000000000, -0.0024764800000000 ] - [ -0.0000253800000000, 0.0000000000000000, -0.0027432400000000 ] - [ 0.0000363000000000, 0.0000463100000000, -0.0024499600000000 ] - [ -0.0002275500000000, 0.0000000000000000, -0.0026751800000000 ] - [ 0.0000834200000000, -0.0000517600000000, -0.0023875500000000 ] - [ -0.0000597100000000, -0.0000673600000000, -0.0024649000000000 ] - [ -0.0001388700000000, 0.0000000000000000, -0.0024981400000000 ] - [ -0.0000597100000000, 0.0000673600000000, -0.0024649000000000 ] - [ -0.0000104800000000, 0.0000000000000000, -0.0023889300000000 ] - [ 0.0001299100000000, 0.0000000000000000, -0.0048110700000000 ] - [ 0.0076101100000000, 0.0088061000000000, -0.0111384200000000 ] - [ -0.0015778300000000, 0.0000000000000000, 0.0022874400000000 ] - [ -0.0004650800000000, 0.0000000000000000, -0.0019701900000000 ] - [ -0.0041223300000000, 0.0000000000000000, 0.0141861300000000 ] - [ 0.0076101100000000, -0.0088061000000000, -0.0111384200000000 ] - [ -0.0124415600000000, 0.0000000000000000, -0.0116362200000000 ] - [ -0.0091467300000000, 0.0044082300000000, -0.0007964300000000 ] - [ -0.0005048000000000, 0.0000000000000000, -0.0023851300000000 ] - [ 0.0002892100000000, 0.0000967700000000, -0.0022973900000000 ] - [ -0.0029151300000000, 0.0000000000000000, -0.0021727600000000 ] - [ -0.0091467300000000, -0.0044082300000000, -0.0007964300000000 ] - [ -0.0005298500000000, -0.0001138400000000, -0.0015867800000000 ] - [ 0.0009964600000000, 0.0000000000000000, -0.0114739600000000 ] - [ -0.0001103100000000, 0.0000000000000000, -0.0030230800000000 ] - [ 0.0001074600000000, 0.0000000000000000, -0.0024347900000000 ] - [ -0.0000493500000000, 0.0000000000000000, -0.0027731300000000 ] - [ 0.0000834200000000, 0.0000517600000000, -0.0023875500000000 ] - [ 0.0000943000000000, 0.0000000000000000, -0.0027719100000000 ] - [ 0.0000363000000000, -0.0000463100000000, -0.0024499600000000 ] - [ -0.0003429200000000, -0.0000388600000000, -0.0031244700000000 ] - [ -0.0002842000000000, 0.0000000000000000, -0.0026321900000000 ] - [ -0.0003429200000000, 0.0000388600000000, -0.0031244700000000 ] - [ 0.0000192000000000, 0.0000000000000000, -0.0025597700000000 ] - [ -0.0003819400000000, 0.0000000000000000, -0.0015189800000000 ] - [ -0.0023318000000000, 0.0001397000000000, 0.0001753800000000 ] - [ 0.0018648900000000, 0.0000000000000000, -0.0028401900000000 ] - [ 0.0012291500000000, 0.0000000000000000, -0.0024820700000000 ] - [ 0.0007302700000000, 0.0000000000000000, 0.0230963200000000 ] - [ -0.0023318000000000, -0.0001397000000000, 0.0001753800000000 ] - [ 0.0024106700000000, 0.0000000000000000, -0.0000485400000000 ] - [ 0.0072081800000000, -0.0016962200000000, 0.0017733700000000 ] - [ 0.0002745300000000, 0.0000000000000000, -0.0019023400000000 ] - [ -0.0005298500000000, 0.0001138400000000, -0.0015867800000000 ] - [ 0.0029618400000000, 0.0000000000000000, -0.0033006100000000 ] - [ 0.0072081800000000, 0.0016962200000000, 0.0017733700000000 ] - [ 0.0002892100000000, -0.0000967700000000, -0.0022973900000000 ] - [ -0.0000156400000000, 0.0000000000000000, -0.0002146300000000 ] - [ 0.0001949700000000, 0.0000000000000000, -0.0028459300000000 ] - [ 0.0013077500000000, 0.0000000000000000, -0.0013723000000000 ] - [ 0.0176383300000000, 0.0000000000000000, 0.1886848500000000 ] - [ -0.0004104800000000, 0.0000000000000000, -0.0015190600000000 ] - [ 0.0035432200000000, 0.0000000000000000, 0.0069816000000000 ] - [ -0.0012930900000000, 0.0000000000000000, -0.0022279400000000 ] - [ -0.0008113800000000, 0.0000000000000000, 0.0059032600000000 ] - [ 0.0007082100000000, 0.0000000000000000, -0.0004796600000000 ] - [ -0.0047590900000000, 0.0000000000000000, 0.0072305200000000 ] - [ 0.0001490800000000, 0.0003461500000000, 0.0016523000000000 ] - [ -0.0000459200000000, 0.0000000000000000, 0.0016952000000000 ] - [ 0.0001662300000000, -0.0003390800000000, 0.0016260800000000 ] - [ -0.0007078300000000, 0.0000000000000000, 0.0010061900000000 ] - [ -0.0000284000000000, -0.0002494800000000, 0.0011587100000000 ] - [ -0.0003231000000000, 0.0000000000000000, 0.0016702400000000 ] - [ -0.0002452000000000, 0.0000000000000000, 0.0019609500000000 ] - [ -0.0000859500000000, -0.0000749300000000, 0.0015069300000000 ] - [ -0.0008419300000000, 0.0000000000000000, 0.0012072600000000 ] - [ -0.0000284000000000, 0.0002494800000000, 0.0011587100000000 ] - [ -0.0001846400000000, 0.0000000000000000, 0.0013614800000000 ] - [ -0.0000859500000000, 0.0000749300000000, 0.0015069300000000 ] - [ -0.0004965500000000, -0.0000113000000000, -0.0000959600000000 ] - [ -0.0002632600000000, 0.0000000000000000, 0.0012720500000000 ] - [ 0.0000832900000000, 0.0000000000000000, 0.0018143500000000 ] - [ -0.0004965500000000, 0.0000113000000000, -0.0000959600000000 ] - [ -0.0000481300000000, 0.0002358100000000, 0.0020835100000000 ] - [ 0.0001824000000000, 0.0000000000000000, -0.1108641700000000 ] - [ -0.0032595300000000, 0.0000000000000000, 0.0042460100000000 ] - [ 0.0003014500000000, 0.0001098800000000, 0.0011742800000000 ] - [ -0.0134375000000000, -0.0242097300000000, -0.0229324100000000 ] - [ 0.0017994000000000, 0.0000000000000000, -0.0036181300000000 ] - [ 0.0016746100000000, 0.0000000000000000, 0.0003070700000000 ] - [ -0.0048623000000000, -0.0023911300000000, -0.0049643500000000 ] - [ -0.0011219700000000, 0.0000000000000000, -0.0014313100000000 ] - [ -0.0009966500000000, 0.0007861700000000, -0.0039210800000000 ] - [ -0.0048623000000000, 0.0023911300000000, -0.0049643500000000 ] - [ 0.0044480900000000, 0.0000000000000000, -0.0043990000000000 ] - [ 0.0006746200000000, -0.0000573200000000, 0.0021204400000000 ] - [ 0.0052355600000000, 0.0000000000000000, 0.0037085800000000 ] - [ 0.0042882300000000, 0.0000000000000000, -0.0035305800000000 ] - [ 0.0001184600000000, 0.0000000000000000, 0.0024329700000000 ] - [ 0.0013581100000000, -0.0001752400000000, 0.0001873800000000 ] - [ 0.0006746200000000, 0.0000573200000000, 0.0021204400000000 ] - [ 0.0003671700000000, 0.0000000000000000, 0.0015826800000000 ] - [ 0.0013581100000000, 0.0001752400000000, 0.0001873800000000 ] - [ -0.0001081000000000, 0.0000000000000000, 0.0017936700000000 ] - [ 0.0001176600000000, 0.0000000000000000, 0.0027787300000000 ] - [ -0.0000204900000000, -0.0001680900000000, 0.0018448400000000 ] - [ 0.0002413300000000, 0.0002317700000000, 0.0021612100000000 ] - [ 0.0001662300000000, 0.0003390800000000, 0.0016260800000000 ] - [ -0.0001032900000000, 0.0000000000000000, 0.0016817000000000 ] - [ 0.0001490800000000, -0.0003461500000000, 0.0016523000000000 ] - [ -0.0006596600000000, 0.0000000000000000, 0.0010433600000000 ] - [ 0.0001985900000000, -0.0002175100000000, 0.0012790200000000 ] - [ -0.0002526800000000, 0.0000000000000000, 0.0016781700000000 ] - [ -0.0001809100000000, 0.0000000000000000, 0.0020493000000000 ] - [ -0.0000439800000000, -0.0000858300000000, 0.0015829000000000 ] - [ -0.0003731300000000, 0.0000000000000000, 0.0015940800000000 ] - [ 0.0001985900000000, 0.0002175100000000, 0.0012790200000000 ] - [ -0.0001777800000000, 0.0000000000000000, 0.0016097700000000 ] - [ -0.0000439800000000, 0.0000858300000000, 0.0015829000000000 ] - [ 0.0014683600000000, 0.0017988100000000, 0.0049581400000000 ] - [ 0.0006200100000000, 0.0000000000000000, 0.0020281500000000 ] - [ 0.0000778000000000, 0.0000000000000000, 0.0021288200000000 ] - [ 0.0014683600000000, -0.0017988100000000, 0.0049581400000000 ] - [ 0.0003014500000000, -0.0001098800000000, 0.0011742800000000 ] - [ 0.0004421200000000, 0.0000000000000000, -0.0023802300000000 ] - [ 0.0009838200000000, 0.0000000000000000, 0.0001464000000000 ] - [ -0.0000481300000000, -0.0002358100000000, 0.0020835100000000 ] - [ -0.0009966500000000, -0.0007861700000000, -0.0039210800000000 ] - [ -0.0031338900000000, 0.0000000000000000, -0.0042050500000000 ] - [ -0.0012596400000000, 0.0000000000000000, 0.0006451500000000 ] - [ 0.0063235000000000, 0.0015250100000000, -0.0029876700000000 ] - [ 0.0020768400000000, 0.0000000000000000, 0.0005173500000000 ] - [ -0.0134375000000000, 0.0242097300000000, -0.0229324100000000 ] - [ 0.0063235000000000, -0.0015250100000000, -0.0029876700000000 ] - [ 0.0119037900000000, 0.0000000000000000, -0.0182933700000000 ] - [ -0.0006951600000000, 0.0001778500000000, 0.0018442100000000 ] - [ -0.0012801200000000, 0.0000000000000000, -0.0004969900000000 ] - [ -0.0033606900000000, 0.0000000000000000, -0.0054332400000000 ] - [ -0.0001953800000000, 0.0000000000000000, 0.0025464800000000 ] - [ -0.0029424700000000, 0.0026714200000000, 0.0029308100000000 ] - [ -0.0006951600000000, -0.0001778500000000, 0.0018442100000000 ] - [ -0.0000183500000000, 0.0000000000000000, 0.0029530600000000 ] - [ -0.0029424700000000, -0.0026714200000000, 0.0029308100000000 ] - [ -0.0005144000000000, 0.0000000000000000, 0.0019331800000000 ] - [ 0.0002496700000000, 0.0000000000000000, 0.0012437300000000 ] - [ 0.0002413300000000, -0.0002317700000000, 0.0021612100000000 ] - [ -0.0000204900000000, 0.0001680900000000, 0.0018448400000000 ]- atom: 51 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0008939100000000, 0.0000000000000000, -0.0023096000000000 ] - [ 0.0005653500000000, 0.0000000000000000, -0.0009846100000000 ] - [ -0.0005981700000000, 0.0001171400000000, -0.0004898100000000 ] - [ -0.0001390100000000, 0.0000000000000000, -0.0005209200000000 ] - [ 0.0009661600000000, -0.0001546700000000, 0.0002450000000000 ] - [ 0.0000291500000000, 0.0000075300000000, -0.0000086400000000 ] - [ 0.0001216900000000, 0.0000000000000000, 0.0000816800000000 ] - [ 0.0000291500000000, -0.0000075300000000, -0.0000086400000000 ] - [ 0.0000290900000000, 0.0000000000000000, -0.0001578900000000 ] - [ -0.0000511600000000, 0.0000000000000000, 0.0000041900000000 ] - [ -0.0001049900000000, -0.0000791200000000, -0.0003507400000000 ] - [ 0.0039360300000000, 0.0000000000000000, -0.0035369500000000 ] - [ 0.0003063400000000, 0.0000000000000000, -0.0000990000000000 ] - [ 0.0010903800000000, 0.0000000000000000, -0.0001872300000000 ] - [ -0.0001049900000000, 0.0000791200000000, -0.0003507400000000 ] - [ 0.0002973400000000, 0.0000000000000000, 0.0000027900000000 ] - [ -0.0034367300000000, -0.0001051100000000, -0.0036945500000000 ] - [ -0.0170980100000000, 0.0000000000000000, 0.0066972100000000 ] - [ 0.0087110800000000, 0.0091247500000000, -0.0110908700000000 ] - [ 0.0035285500000000, 0.0000000000000000, -0.0058479200000000 ] - [ -0.0034367300000000, 0.0001051100000000, -0.0036945500000000 ] - [ 0.0093671100000000, -0.0063257200000000, 0.0087827700000000 ] - [ -0.0032379600000000, 0.0000000000000000, 0.0070325200000000 ] - [ -0.0105525700000000, 0.0000000000000000, -0.0002021900000000 ] - [ -0.0011465600000000, 0.0000000000000000, 0.0028705100000000 ] - [ -0.0008045400000000, 0.0000000000000000, 0.0005708800000000 ] - [ 0.0009661600000000, 0.0001546700000000, 0.0002450000000000 ] - [ -0.0001010600000000, 0.0000000000000000, -0.0001880200000000 ] - [ -0.0005981700000000, -0.0001171400000000, -0.0004898100000000 ] - [ -0.0000729900000000, 0.0000047100000000, 0.0000246500000000 ] - [ -0.0002849800000000, 0.0000000000000000, 0.0000873500000000 ] - [ -0.0000729900000000, -0.0000047100000000, 0.0000246500000000 ] - [ -0.0003011700000000, 0.0000000000000000, 0.0002781100000000 ] - [ 0.0000437800000000, 0.0000000000000000, -0.0000488100000000 ] - [ 0.0003109400000000, -0.0000822700000000, -0.0003970500000000 ] - [ -0.0034000300000000, 0.0000000000000000, 0.0072203300000000 ] - [ 0.0002876300000000, 0.0000000000000000, -0.0001245600000000 ] - [ -0.0007076900000000, 0.0000000000000000, -0.0004655200000000 ] - [ 0.0003109400000000, 0.0000822700000000, -0.0003970500000000 ] - [ 0.0003942500000000, 0.0000000000000000, -0.0003081400000000 ] - [ 0.0040948300000000, 0.0000955800000000, 0.0016863900000000 ] - [ 0.0096585600000000, 0.0000000000000000, 0.0007870900000000 ] - [ 0.0093671100000000, 0.0063257200000000, 0.0087827700000000 ] - [ 0.0186547600000000, 0.0000000000000000, 0.0071241400000000 ] - [ 0.0040948300000000, -0.0000955800000000, 0.0016863900000000 ] - [ 0.0087110800000000, -0.0091247500000000, -0.0110908700000000 ] - [ 0.0137710800000000, 0.0000000000000000, -0.0066213400000000 ] - [ 0.0037331900000000, 0.0000000000000000, -0.0002244400000000 ] - [ -0.0000873900000000, 0.0000000000000000, -0.0002419800000000 ] - [ -0.0007641000000000, 0.0000000000000000, 0.0006828100000000 ] - [ -0.1734840500000000, 0.0000000000000000, 0.0001507100000000 ] - [ -0.0000229900000000, 0.0000000000000000, -0.0008480200000000 ] - [ -0.0000915900000000, 0.0000000000000000, -0.0001815600000000 ] - [ 0.0005533700000000, 0.0000000000000000, -0.0006473400000000 ] - [ 0.0051117100000000, 0.0000000000000000, 0.0004996200000000 ] - [ -0.0000052900000000, 0.0000000000000000, 0.0003260800000000 ] - [ 0.0000651800000000, 0.0002779400000000, 0.0009934300000000 ] - [ 0.0000828700000000, 0.0000000000000000, 0.0000538600000000 ] - [ -0.0003221600000000, 0.0000553200000000, -0.0010342900000000 ] - [ -0.0013322100000000, 0.0000000000000000, -0.0000583300000000 ] - [ -0.0002070800000000, -0.0001201300000000, -0.0003756800000000 ] - [ -0.0004474100000000, 0.0000000000000000, -0.0002762100000000 ] - [ -0.0010570200000000, 0.0000000000000000, -0.0001407200000000 ] - [ -0.0003339700000000, 0.0000487800000000, -0.0000470300000000 ] - [ -0.0004716000000000, 0.0000000000000000, -0.0003663600000000 ] - [ -0.0002070800000000, 0.0001201300000000, -0.0003756800000000 ] - [ -0.0001279300000000, 0.0000000000000000, -0.0001774600000000 ] - [ -0.0003339700000000, -0.0000487800000000, -0.0000470300000000 ] - [ -0.0000555800000000, 0.0000401600000000, -0.0000087700000000 ] - [ 0.0001797000000000, 0.0000000000000000, -0.0000739300000000 ] - [ 0.0002487600000000, 0.0000000000000000, 0.0001516300000000 ] - [ -0.0000555800000000, -0.0000401600000000, -0.0000087700000000 ] - [ -0.0000414300000000, -0.0001534700000000, 0.0000135100000000 ] - [ 0.0001047300000000, 0.0000000000000000, -0.0000524900000000 ] - [ -0.0001188000000000, 0.0000000000000000, -0.0003311600000000 ] - [ -0.0000713500000000, 0.0001452900000000, 0.0000274300000000 ] - [ 0.0013220300000000, 0.0001601800000000, 0.0002086400000000 ] - [ -0.0000832300000000, 0.0000000000000000, -0.0000710000000000 ] - [ 0.0001027700000000, 0.0000000000000000, -0.0002660500000000 ] - [ 0.0000882800000000, -0.0000595900000000, -0.0003087500000000 ] - [ -0.0034243700000000, 0.0000000000000000, -0.0000952300000000 ] - [ -0.0014448200000000, 0.0000647400000000, 0.0006423300000000 ] - [ 0.0000882800000000, 0.0000595900000000, -0.0003087500000000 ] - [ 0.0012874800000000, 0.0000000000000000, 0.0001042300000000 ] - [ 0.0273770500000000, 0.0376290200000000, 0.0094377600000000 ] - [ 0.0061548900000000, 0.0000000000000000, 0.0019534600000000 ] - [ 0.0010030600000000, 0.0000000000000000, 0.0016219700000000 ] - [ 0.0000391100000000, 0.0000000000000000, -0.0045671500000000 ] - [ -0.0019410100000000, -0.0016766000000000, 0.0047827000000000 ] - [ 0.0273770500000000, -0.0376290200000000, 0.0094377600000000 ] - [ -0.0038252700000000, 0.0000000000000000, -0.0003608000000000 ] - [ -0.0019410100000000, 0.0016766000000000, 0.0047827000000000 ] - [ 0.0007142500000000, 0.0000000000000000, -0.0072884600000000 ] - [ 0.0033437900000000, 0.0000000000000000, 0.0023540000000000 ] - [ -0.0038820300000000, 0.0007990500000000, -0.0007600400000000 ] - [ 0.0068359900000000, -0.0024210300000000, 0.0045286900000000 ] - [ -0.0003221600000000, -0.0000553200000000, -0.0010342900000000 ] - [ -0.0003666900000000, 0.0000000000000000, -0.0005717100000000 ] - [ 0.0000651800000000, -0.0002779400000000, 0.0009934300000000 ] - [ 0.0006508400000000, 0.0000000000000000, -0.0004330500000000 ] - [ -0.0000696600000000, -0.0001043000000000, -0.0002989900000000 ] - [ 0.0000290600000000, 0.0000000000000000, 0.0001997800000000 ] - [ 0.0011137200000000, 0.0000000000000000, 0.0000024300000000 ] - [ 0.0001866200000000, -0.0000012500000000, -0.0002321900000000 ] - [ -0.0004380300000000, 0.0000000000000000, -0.0003788600000000 ] - [ -0.0000696600000000, 0.0001043000000000, -0.0002989900000000 ] - [ -0.0000418900000000, 0.0000000000000000, -0.0002691500000000 ] - [ 0.0001866200000000, 0.0000012500000000, -0.0002321900000000 ] - [ -0.0000002800000000, 0.0000425100000000, -0.0001052900000000 ] - [ 0.0002077100000000, 0.0000000000000000, -0.0000958000000000 ] - [ 0.0003251900000000, 0.0000000000000000, 0.0000621600000000 ] - [ -0.0000002800000000, -0.0000425100000000, -0.0001052900000000 ] - [ -0.0000713500000000, -0.0001452900000000, 0.0000274300000000 ] - [ -0.0001805300000000, 0.0000000000000000, 0.0001774400000000 ] - [ -0.0002552900000000, 0.0000000000000000, -0.0003665300000000 ] - [ -0.0000414300000000, 0.0001534700000000, 0.0000135100000000 ] - [ -0.0014448200000000, -0.0000647400000000, 0.0006423300000000 ] - [ 0.0003419600000000, 0.0000000000000000, -0.0003680200000000 ] - [ 0.0002272300000000, 0.0000000000000000, -0.0001747000000000 ] - [ -0.0003227100000000, -0.0000339000000000, -0.0007334000000000 ] - [ 0.0116886700000000, 0.0000000000000000, 0.0004312700000000 ] - [ 0.0013220300000000, -0.0001601800000000, 0.0002086400000000 ] - [ -0.0003227100000000, 0.0000339000000000, -0.0007334000000000 ] - [ -0.0014274800000000, 0.0000000000000000, -0.0016222300000000 ] - [ -0.0082490300000000, -0.0013667700000000, 0.0005684100000000 ] - [ -0.0039458100000000, 0.0000000000000000, 0.0001458700000000 ] - [ -0.0008812400000000, 0.0000000000000000, -0.0018799300000000 ] - [ -0.0039963500000000, 0.0000000000000000, 0.0053950100000000 ] - [ -0.0024417600000000, -0.0013910900000000, -0.0047650300000000 ] - [ -0.0082490300000000, 0.0013667700000000, 0.0005684100000000 ] - [ 0.0839574100000000, 0.0000000000000000, -0.0172605200000000 ] - [ -0.0024417600000000, 0.0013910900000000, -0.0047650300000000 ] - [ -0.0023750900000000, 0.0000000000000000, 0.0021872000000000 ] - [ -0.0092211200000000, 0.0000000000000000, -0.0024456000000000 ] - [ 0.0068359900000000, 0.0024210300000000, 0.0045286900000000 ] - [ -0.0038820300000000, -0.0007990500000000, -0.0007600400000000 ]- atom: 51 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0006011100000000, 0.0000000000000000, 0.0029046500000000 ] - [ -0.0006876000000000, 0.0000000000000000, 0.0002075100000000 ] - [ 0.0007580700000000, -0.0000370800000000, 0.0004141500000000 ] - [ -0.0000897500000000, 0.0000000000000000, -0.0001924900000000 ] - [ -0.0008097700000000, 0.0000750000000000, -0.0003154500000000 ] - [ -0.0000684800000000, 0.0000009300000000, 0.0000218600000000 ] - [ -0.0003218500000000, 0.0000000000000000, 0.0000831600000000 ] - [ -0.0000684800000000, -0.0000009300000000, 0.0000218600000000 ] - [ -0.0002267400000000, 0.0000000000000000, 0.0002794300000000 ] - [ 0.0000447800000000, 0.0000000000000000, -0.0000521000000000 ] - [ 0.0003005500000000, -0.0000683600000000, -0.0003878700000000 ] - [ -0.0038419400000000, 0.0000000000000000, 0.0030937900000000 ] - [ 0.0002979300000000, 0.0000000000000000, -0.0001281400000000 ] - [ -0.0010363000000000, 0.0000000000000000, -0.0004819000000000 ] - [ 0.0003005500000000, 0.0000683600000000, -0.0003878700000000 ] - [ 0.0004143800000000, 0.0000000000000000, -0.0003353200000000 ] - [ 0.0034862300000000, 0.0001622300000000, 0.0037381500000000 ] - [ 0.0169251200000000, 0.0000000000000000, -0.0061850700000000 ] - [ -0.0089612000000000, -0.0089033000000000, 0.0121003900000000 ] - [ -0.0032268500000000, 0.0000000000000000, 0.0070127700000000 ] - [ 0.0034862300000000, -0.0001622300000000, 0.0037381500000000 ] - [ -0.0096179800000000, 0.0059850200000000, -0.0077664100000000 ] - [ 0.0037184100000000, 0.0000000000000000, -0.0062839800000000 ] - [ 0.0105991300000000, 0.0000000000000000, -0.0001306800000000 ] - [ 0.0014297800000000, 0.0000000000000000, -0.0022910700000000 ] - [ 0.0006774400000000, 0.0000000000000000, -0.0013485400000000 ] - [ -0.0008097700000000, -0.0000750000000000, -0.0003154500000000 ] - [ -0.0001288700000000, 0.0000000000000000, -0.0005245400000000 ] - [ 0.0007580700000000, 0.0000370800000000, 0.0004141500000000 ] - [ 0.0000338700000000, 0.0000040900000000, -0.0000116500000000 ] - [ 0.0000852800000000, 0.0000000000000000, 0.0000764200000000 ] - [ 0.0000338700000000, -0.0000040900000000, -0.0000116500000000 ] - [ 0.0001017600000000, 0.0000000000000000, -0.0001572600000000 ] - [ -0.0000509700000000, 0.0000000000000000, 0.0000002400000000 ] - [ -0.0001171200000000, -0.0000663000000000, -0.0003456500000000 ] - [ 0.0035745700000000, 0.0000000000000000, -0.0076631200000000 ] - [ 0.0003162500000000, 0.0000000000000000, -0.0001014700000000 ] - [ 0.0007589400000000, 0.0000000000000000, -0.0001820200000000 ] - [ -0.0001171200000000, 0.0000663000000000, -0.0003456500000000 ] - [ 0.0003111300000000, 0.0000000000000000, -0.0000211800000000 ] - [ -0.0039875000000000, -0.0000118300000000, -0.0016977900000000 ] - [ -0.0098547500000000, 0.0000000000000000, -0.0001556200000000 ] - [ -0.0096179800000000, -0.0059850200000000, -0.0077664100000000 ] - [ -0.0183666000000000, 0.0000000000000000, -0.0059993200000000 ] - [ -0.0039875000000000, 0.0000118300000000, -0.0016977900000000 ] - [ -0.0089612000000000, 0.0089033000000000, 0.0121003900000000 ] - [ -0.0132642000000000, 0.0000000000000000, 0.0072826800000000 ] - [ -0.0036656100000000, 0.0000000000000000, -0.0000188700000000 ] - [ -0.0000824900000000, 0.0000000000000000, -0.0001829300000000 ] - [ 0.0008323300000000, 0.0000000000000000, -0.0006500000000000 ] - [ 0.1789928300000000, 0.0000000000000000, -0.0015501900000000 ] - [ -0.0000038200000000, 0.0000000000000000, 0.0003255400000000 ] - [ -0.0000769500000000, 0.0000000000000000, -0.0002441800000000 ] - [ -0.0005046300000000, 0.0000000000000000, 0.0006756200000000 ] - [ -0.0048504800000000, 0.0000000000000000, 0.0005291500000000 ] - [ -0.0000132600000000, 0.0000000000000000, -0.0008527400000000 ] - [ -0.0000850400000000, -0.0002039500000000, -0.0007759100000000 ] - [ -0.0002888000000000, 0.0000000000000000, -0.0005734800000000 ] - [ 0.0003082400000000, -0.0001313400000000, 0.0012524100000000 ] - [ 0.0006453400000000, 0.0000000000000000, -0.0009656900000000 ] - [ -0.0000553000000000, -0.0001068900000000, -0.0002937900000000 ] - [ 0.0000575000000000, 0.0000000000000000, 0.0002969200000000 ] - [ 0.0006152000000000, 0.0000000000000000, 0.0000060400000000 ] - [ 0.0001628400000000, -0.0000328900000000, -0.0002822800000000 ] - [ -0.0004307800000000, 0.0000000000000000, -0.0003775100000000 ] - [ -0.0000553000000000, 0.0001068900000000, -0.0002937900000000 ] - [ -0.0000378000000000, 0.0000000000000000, -0.0002797800000000 ] - [ 0.0001628400000000, 0.0000328900000000, -0.0002822800000000 ] - [ 0.0000065400000000, 0.0000442100000000, -0.0001064400000000 ] - [ 0.0002138800000000, 0.0000000000000000, -0.0000919100000000 ] - [ 0.0003272700000000, 0.0000000000000000, 0.0000652900000000 ] - [ 0.0000065400000000, -0.0000442100000000, -0.0001064400000000 ] - [ -0.0000646600000000, -0.0001446100000000, 0.0000299400000000 ] - [ -0.0002124800000000, 0.0000000000000000, 0.0001773100000000 ] - [ -0.0002471100000000, 0.0000000000000000, -0.0003556700000000 ] - [ -0.0000345100000000, 0.0001527400000000, 0.0000164600000000 ] - [ -0.0013797600000000, -0.0002584000000000, 0.0000677900000000 ] - [ 0.0003486800000000, 0.0000000000000000, -0.0004116000000000 ] - [ 0.0002375300000000, 0.0000000000000000, -0.0001717400000000 ] - [ -0.0002660700000000, -0.0000026200000000, -0.0007097200000000 ] - [ 0.0036433100000000, 0.0000000000000000, 0.0004093800000000 ] - [ 0.0014036200000000, 0.0000226700000000, -0.0003324800000000 ] - [ -0.0002660700000000, 0.0000026200000000, -0.0007097200000000 ] - [ -0.0016536700000000, 0.0000000000000000, -0.0005145000000000 ] - [ -0.0272424300000000, -0.0363748800000000, -0.0087247100000000 ] - [ -0.0053350800000000, 0.0000000000000000, -0.0016897300000000 ] - [ -0.0008572000000000, 0.0000000000000000, -0.0018858800000000 ] - [ -0.0001047100000000, 0.0000000000000000, 0.0053515200000000 ] - [ 0.0019444800000000, 0.0020174400000000, -0.0038448700000000 ] - [ -0.0272424300000000, 0.0363748800000000, -0.0087247100000000 ] - [ 0.0040056300000000, 0.0000000000000000, 0.0014550800000000 ] - [ 0.0019444800000000, -0.0020174400000000, -0.0038448700000000 ] - [ -0.0005530500000000, 0.0000000000000000, 0.0079245300000000 ] - [ -0.0029752600000000, 0.0000000000000000, -0.0022905700000000 ] - [ 0.0037405600000000, -0.0005360900000000, 0.0017077500000000 ] - [ -0.0070185300000000, 0.0021709400000000, -0.0035634200000000 ] - [ 0.0003082400000000, 0.0001313400000000, 0.0012524100000000 ] - [ 0.0001623200000000, 0.0000000000000000, 0.0000511900000000 ] - [ -0.0000850400000000, 0.0002039500000000, -0.0007759100000000 ] - [ -0.0013382100000000, 0.0000000000000000, -0.0005848300000000 ] - [ -0.0001927400000000, -0.0001226900000000, -0.0003701100000000 ] - [ -0.0004202600000000, 0.0000000000000000, -0.0001781500000000 ] - [ -0.0015517700000000, 0.0000000000000000, -0.0001292900000000 ] - [ -0.0003564400000000, 0.0000169600000000, -0.0000954500000000 ] - [ -0.0004646800000000, 0.0000000000000000, -0.0003648800000000 ] - [ -0.0001927400000000, 0.0001226900000000, -0.0003701100000000 ] - [ -0.0001233700000000, 0.0000000000000000, -0.0001880000000000 ] - [ -0.0003564400000000, -0.0000169600000000, -0.0000954500000000 ] - [ -0.0000508700000000, 0.0000420000000000, -0.0000104600000000 ] - [ 0.0001843500000000, 0.0000000000000000, -0.0000701000000000 ] - [ 0.0002509200000000, 0.0000000000000000, 0.0001549500000000 ] - [ -0.0000508700000000, -0.0000420000000000, -0.0000104600000000 ] - [ -0.0000345100000000, -0.0001527400000000, 0.0000164600000000 ] - [ 0.0000779300000000, 0.0000000000000000, -0.0000497600000000 ] - [ -0.0001100100000000, 0.0000000000000000, -0.0003186800000000 ] - [ -0.0000646600000000, 0.0001446100000000, 0.0000299400000000 ] - [ 0.0014036200000000, -0.0000226700000000, -0.0003324800000000 ] - [ -0.0000802100000000, 0.0000000000000000, -0.0001202400000000 ] - [ 0.0001131300000000, 0.0000000000000000, -0.0002651300000000 ] - [ 0.0001427700000000, -0.0000280100000000, -0.0002790000000000 ] - [ -0.0114877300000000, 0.0000000000000000, 0.0000799600000000 ] - [ -0.0013797600000000, 0.0002584000000000, 0.0000677900000000 ] - [ 0.0001427700000000, 0.0000280100000000, -0.0002790000000000 ] - [ 0.0010378400000000, 0.0000000000000000, 0.0012369800000000 ] - [ 0.0082627900000000, 0.0016799600000000, -0.0001827500000000 ] - [ 0.0047552800000000, 0.0000000000000000, 0.0001550700000000 ] - [ 0.0010021000000000, 0.0000000000000000, 0.0016223400000000 ] - [ 0.0038972800000000, 0.0000000000000000, -0.0046493700000000 ] - [ 0.0024295900000000, 0.0017782900000000, 0.0057106500000000 ] - [ 0.0082627900000000, -0.0016799600000000, -0.0001827500000000 ] - [ -0.0888451000000000, 0.0000000000000000, 0.0199237500000000 ] - [ 0.0024295900000000, -0.0017782900000000, 0.0057106500000000 ] - [ 0.0024788000000000, 0.0000000000000000, -0.0015166900000000 ] - [ 0.0095342000000000, 0.0000000000000000, 0.0024680000000000 ] - [ -0.0070185300000000, -0.0021709400000000, -0.0035634200000000 ] - [ 0.0037405600000000, 0.0005360900000000, 0.0017077500000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001414800000000, -0.0004249900000000, 0.0002948900000000 ] - [ -0.0000630900000000, 0.0002345900000000, -0.0003878600000000 ] - [ 0.0002178000000000, 0.0000398000000000, 0.0002473900000000 ] - [ -0.0001139200000000, -0.0000057300000000, -0.0003560800000000 ] - [ 0.0000271800000000, -0.0000425700000000, -0.0000636800000000 ] - [ -0.0000172000000000, 0.0000044800000000, 0.0000077000000000 ] - [ -0.0000998500000000, 0.0000230700000000, 0.0000821500000000 ] - [ -0.0000213300000000, -0.0000043700000000, 0.0000048900000000 ] - [ -0.0000990800000000, -0.0000370800000000, 0.0000610600000000 ] - [ -0.0000026900000000, 0.0000030400000000, -0.0000245200000000 ] - [ 0.0000899400000000, -0.0000745700000000, -0.0003815700000000 ] - [ 0.0000492400000000, 0.0019820900000000, -0.0002069700000000 ] - [ 0.0003021900000000, -0.0000010600000000, -0.0001137700000000 ] - [ 0.0000281700000000, 0.0001574600000000, -0.0003305300000000 ] - [ 0.0001064500000000, 0.0000735800000000, -0.0003589100000000 ] - [ 0.0003548500000000, 0.0000120400000000, -0.0001655300000000 ] - [ -0.0005915600000000, 0.0004380100000000, -0.0040266800000000 ] - [ -0.0000602400000000, 0.0265378900000000, 0.0003804300000000 ] - [ 0.0058111600000000, 0.0010325600000000, -0.0001011300000000 ] - [ 0.0002947100000000, 0.0235335400000000, 0.0005864500000000 ] - [ 0.0007198900000000, 0.0004439900000000, 0.0040090400000000 ] - [ -0.0092401600000000, 0.0001387100000000, -0.0062517500000000 ] - [ 0.0001182700000000, 0.0133798500000000, 0.0003108300000000 ] - [ 0.0000459600000000, -0.0067749300000000, -0.0001611400000000 ] - [ 0.0001465600000000, -0.0001157500000000, 0.0002932900000000 ] - [ -0.0000603400000000, 0.0000889000000000, -0.0003901800000000 ] - [ 0.0001302200000000, 0.0000375400000000, -0.0000106200000000 ] - [ -0.0001138600000000, -0.0000036400000000, -0.0003566400000000 ] - [ -0.0000573100000000, -0.0000399200000000, -0.0003179000000000 ] - [ -0.0000172300000000, 0.0000044600000000, 0.0000076800000000 ] - [ -0.0000993300000000, 0.0000192500000000, 0.0000823100000000 ] - [ -0.0000209900000000, -0.0000047600000000, 0.0000048500000000 ] - [ -0.0000983000000000, -0.0000264400000000, 0.0000605300000000 ] - [ -0.0000028100000000, 0.0000008500000000, -0.0000245400000000 ] - [ 0.0000922700000000, -0.0000751300000000, -0.0003780100000000 ] - [ 0.0000705000000000, -0.0013730900000000, -0.0001896500000000 ] - [ 0.0003022300000000, -0.0000024400000000, -0.0001138000000000 ] - [ 0.0000307500000000, 0.0001788300000000, -0.0003277800000000 ] - [ 0.0001034400000000, 0.0000733800000000, -0.0003629500000000 ] - [ 0.0003545400000000, 0.0000123300000000, -0.0001650300000000 ] - [ 0.0006293100000000, 0.0000695500000000, 0.0004766900000000 ] - [ -0.0001254600000000, 0.0003456800000000, 0.0002939800000000 ] - [ 0.0090105500000000, 0.0003747100000000, 0.0071887400000000 ] - [ 0.0002339700000000, -0.0015589900000000, 0.0005636100000000 ] - [ -0.0005185700000000, -0.0000127500000000, -0.0004719900000000 ] - [ -0.0060686400000000, 0.0006906600000000, 0.0010810100000000 ] - [ 0.0001770700000000, -0.0035034600000000, 0.0003942900000000 ] - [ 0.0000244600000000, -0.0000488500000000, -0.0001265100000000 ] - [ -0.0000841600000000, -0.0000048700000000, -0.0002129800000000 ] - [ 0.0000282100000000, -0.0000851400000000, 0.0000138200000000 ] - [ -0.0023496800000000, -0.1726478100000000, -0.0007116600000000 ] - [ -0.0000115200000000, -0.0000081600000000, -0.0002627800000000 ] - [ -0.0000840200000000, -0.0000045500000000, -0.0002131000000000 ] - [ 0.0000270600000000, -0.0001869900000000, 0.0000164400000000 ] - [ 0.0001235800000000, -0.0001416400000000, 0.0005136400000000 ] - [ -0.0000108300000000, 0.0000161400000000, -0.0002617900000000 ] - [ 0.0001806500000000, -0.0000033200000000, -0.0002071400000000 ] - [ -0.0001021300000000, -0.0000500400000000, -0.0002604800000000 ] - [ 0.0000388000000000, -0.0000647500000000, 0.0002513800000000 ] - [ -0.0003421500000000, 0.0000250200000000, -0.0005096800000000 ] - [ -0.0001291800000000, -0.0001124900000000, -0.0003406700000000 ] - [ -0.0001944300000000, 0.0000114400000000, 0.0000115800000000 ] - [ -0.0002182300000000, -0.0000158800000000, -0.0000643400000000 ] - [ -0.0000454900000000, -0.0000013400000000, -0.0002038700000000 ] - [ -0.0004518400000000, -0.0000010000000000, -0.0003722200000000 ] - [ -0.0001336200000000, 0.0001146800000000, -0.0003282100000000 ] - [ -0.0000820700000000, -0.0000030200000000, -0.0002287100000000 ] - [ -0.0001232600000000, -0.0000171300000000, -0.0001239500000000 ] - [ -0.0000256500000000, 0.0000409000000000, -0.0000553500000000 ] - [ 0.0001971500000000, -0.0000002900000000, -0.0000836200000000 ] - [ 0.0002891500000000, 0.0000024700000000, 0.0001080500000000 ] - [ -0.0000233700000000, -0.0000432600000000, -0.0000611600000000 ] - [ -0.0000520400000000, -0.0001494500000000, 0.0000208900000000 ] - [ -0.0000522800000000, 0.0000264300000000, 0.0000630400000000 ] - [ -0.0001822400000000, 0.0000005300000000, -0.0003438400000000 ] - [ -0.0000518600000000, 0.0001486100000000, 0.0000207200000000 ] - [ 0.0004069100000000, 0.0001718300000000, 0.0008318000000000 ] - [ 0.0001321800000000, -0.0000230800000000, -0.0002420800000000 ] - [ 0.0001706400000000, -0.0000015400000000, -0.0002195800000000 ] - [ -0.0000998400000000, -0.0000397800000000, -0.0004850200000000 ] - [ 0.0001104700000000, -0.0005069400000000, 0.0001536900000000 ] - [ 0.0002252800000000, -0.0000393800000000, -0.0001334600000000 ] - [ -0.0000786900000000, 0.0000229900000000, -0.0005317400000000 ] - [ -0.0001864300000000, 0.0000674200000000, -0.0002093600000000 ] - [ 0.0358031300000000, 0.0627924300000000, 0.0171647600000000 ] - [ 0.0003876400000000, -0.0068003800000000, 0.0001913200000000 ] - [ 0.0000564600000000, -0.0004109900000000, -0.0001271400000000 ] - [ -0.0000473000000000, -0.0043813000000000, 0.0003849200000000 ] - [ -0.0018589400000000, -0.0004592500000000, 0.0030460200000000 ] - [ -0.0336268800000000, 0.0594623800000000, -0.0156203900000000 ] - [ 0.0000932500000000, -0.0061304100000000, 0.0005447900000000 ] - [ 0.0018342100000000, -0.0008532500000000, -0.0021345100000000 ] - [ 0.0000621700000000, 0.0053907200000000, 0.0003452700000000 ] - [ 0.0002540400000000, -0.0086624300000000, 0.0000007400000000 ] - [ 0.0000124200000000, 0.0001227700000000, 0.0004108400000000 ] - [ -0.0029089600000000, -0.0003234900000000, 0.0052334100000000 ] - [ -0.0000544200000000, 0.0000092700000000, -0.0000298400000000 ] - [ -0.0001019300000000, -0.0000238500000000, -0.0002594400000000 ] - [ -0.0001950500000000, -0.0000775900000000, 0.0004229700000000 ] - [ -0.0003441400000000, -0.0003397400000000, -0.0005106000000000 ] - [ -0.0001307100000000, -0.0001129100000000, -0.0003397600000000 ] - [ -0.0001949100000000, 0.0000337600000000, 0.0000107600000000 ] - [ -0.0002224300000000, 0.0005272200000000, -0.0000653900000000 ] - [ -0.0000927700000000, 0.0000080500000000, -0.0002084200000000 ] - [ -0.0004518700000000, -0.0000008500000000, -0.0003722100000000 ] - [ -0.0001323300000000, 0.0001141900000000, -0.0003294500000000 ] - [ -0.0000822500000000, -0.0000037100000000, -0.0002286600000000 ] - [ -0.0000778600000000, -0.0000078200000000, -0.0001194300000000 ] - [ -0.0000251800000000, 0.0000410000000000, -0.0000538200000000 ] - [ 0.0001970700000000, -0.0000004800000000, -0.0000834700000000 ] - [ 0.0002889700000000, 0.0000033200000000, 0.0001081400000000 ] - [ -0.0000242300000000, -0.0000432200000000, -0.0000626600000000 ] - [ -0.0000520000000000, -0.0001494300000000, 0.0000208900000000 ] - [ -0.0000516100000000, 0.0000102300000000, 0.0000628400000000 ] - [ -0.0001820300000000, 0.0000001000000000, -0.0003437100000000 ] - [ -0.0000519300000000, 0.0001486300000000, 0.0000206900000000 ] - [ -0.0002688700000000, -0.0001272100000000, 0.0004353400000000 ] - [ 0.0001321900000000, -0.0000447800000000, -0.0002421600000000 ] - [ 0.0001705500000000, -0.0000028000000000, -0.0002191600000000 ] - [ -0.0001091200000000, -0.0000381100000000, -0.0004899200000000 ] - [ 0.0001149000000000, 0.0086542400000000, 0.0002581400000000 ] - [ -0.0004534800000000, 0.0002796700000000, -0.0005379000000000 ] - [ -0.0000691500000000, 0.0000240300000000, -0.0005256500000000 ] - [ -0.0001928500000000, -0.0002457500000000, -0.0001985800000000 ] - [ 0.0007556900000000, 0.0003940700000000, 0.0004054700000000 ] - [ 0.0004089400000000, 0.0004648900000000, 0.0001433000000000 ] - [ 0.0000643600000000, 0.0004096600000000, -0.0001327600000000 ] - [ -0.0000484300000000, 0.0004542300000000, 0.0003820800000000 ] - [ -0.0015642100000000, 0.0003245900000000, -0.0005727100000000 ] - [ -0.0007181800000000, 0.0000922100000000, -0.0000057400000000 ] - [ 0.0002972900000000, 0.0050481900000000, 0.0005058600000000 ] - [ 0.0015630700000000, -0.0000177100000000, 0.0014902100000000 ] - [ 0.0000697900000000, -0.0004508800000000, 0.0003280800000000 ] - [ 0.0002060900000000, 0.0027489200000000, 0.0000408200000000 ] - [ 0.0027694500000000, -0.0000252600000000, -0.0043069700000000 ] - [ -0.0001439100000000, -0.0001221300000000, 0.0005584300000000 ]- atom: 51 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0011716400000000, 0.0000000000000000, 0.0010604700000000 ] - [ -0.0007152200000000, 0.0000000000000000, 0.0016052700000000 ] - [ -0.0006686500000000, 0.0002335300000000, 0.0031630800000000 ] - [ -0.0002629100000000, 0.0000000000000000, 0.0021165600000000 ] - [ 0.0008227600000000, -0.0000012500000000, 0.0018227900000000 ] - [ 0.0001588400000000, 0.0000162300000000, 0.0028433600000000 ] - [ 0.0000988600000000, 0.0000000000000000, 0.0026483000000000 ] - [ 0.0001588400000000, -0.0000162300000000, 0.0028433600000000 ] - [ -0.0004678000000000, 0.0000000000000000, 0.0025367100000000 ] - [ 0.0001598700000000, 0.0000000000000000, 0.0029715900000000 ] - [ 0.0002906400000000, 0.0001149500000000, 0.0024722700000000 ] - [ -0.0020890800000000, 0.0000000000000000, -0.0006575200000000 ] - [ 0.0002463500000000, 0.0000000000000000, 0.0023918200000000 ] - [ 0.0003226200000000, 0.0000000000000000, 0.0013898300000000 ] - [ 0.0002906400000000, -0.0001149500000000, 0.0024722700000000 ] - [ 0.0007269400000000, 0.0000000000000000, 0.0021000100000000 ] - [ -0.0076222100000000, -0.0092231700000000, 0.0092244000000000 ] - [ 0.0011510400000000, 0.0000000000000000, -0.0039377600000000 ] - [ -0.0087306200000000, -0.0008637000000000, -0.0056238700000000 ] - [ -0.0019355200000000, 0.0000000000000000, -0.0169770100000000 ] - [ -0.0076222100000000, 0.0092231700000000, 0.0092244000000000 ] - [ 0.0094193800000000, -0.0068301200000000, -0.0029974600000000 ] - [ 0.0060946900000000, 0.0000000000000000, -0.0094113200000000 ] - [ -0.0013700400000000, 0.0000000000000000, 0.0197199400000000 ] - [ 0.0013662800000000, 0.0000000000000000, 0.0029129500000000 ] - [ 0.0006861900000000, 0.0000000000000000, 0.0027407500000000 ] - [ 0.0008227600000000, 0.0000012500000000, 0.0018227900000000 ] - [ -0.0000658700000000, 0.0000000000000000, 0.0020477400000000 ] - [ -0.0006686500000000, -0.0002335300000000, 0.0031630800000000 ] - [ 0.0002203100000000, 0.0000268600000000, 0.0029498100000000 ] - [ -0.0000615300000000, 0.0000000000000000, 0.0029997900000000 ] - [ 0.0002203100000000, -0.0000268600000000, 0.0029498100000000 ] - [ 0.0000460200000000, 0.0000000000000000, 0.0028459500000000 ] - [ 0.0000197800000000, 0.0000000000000000, 0.0028374300000000 ] - [ 0.0000484000000000, -0.0000657200000000, 0.0018172700000000 ] - [ 0.0130956700000000, 0.0000000000000000, 0.0096812800000000 ] - [ 0.0002425400000000, 0.0000000000000000, 0.0025827300000000 ] - [ -0.0002148800000000, 0.0000000000000000, 0.0048611900000000 ] - [ 0.0000484000000000, 0.0000657200000000, 0.0018172700000000 ] - [ -0.0002642500000000, 0.0000000000000000, 0.0025574200000000 ] - [ 0.0024235900000000, -0.0001439000000000, -0.0007537800000000 ] - [ 0.0013917700000000, 0.0000000000000000, -0.0036175700000000 ] - [ 0.0094193800000000, 0.0068301200000000, -0.0029974600000000 ] - [ 0.0056113500000000, 0.0000000000000000, -0.0104380900000000 ] - [ 0.0024235900000000, 0.0001439000000000, -0.0007537800000000 ] - [ -0.0087306200000000, 0.0008637000000000, -0.0056238700000000 ] - [ -0.0045410400000000, 0.0000000000000000, -0.0091228000000000 ] - [ 0.0001886000000000, 0.0000000000000000, -0.0000466100000000 ] - [ -0.0002407000000000, 0.0000000000000000, 0.0016554400000000 ] - [ 0.0014504500000000, 0.0000000000000000, 0.0019277400000000 ] - [ -0.0245021400000000, 0.0000000000000000, -0.0937638400000000 ] - [ -0.0006660300000000, 0.0000000000000000, 0.0016788200000000 ] - [ -0.0000537800000000, 0.0000000000000000, 0.0016246900000000 ] - [ -0.0014453800000000, 0.0000000000000000, 0.0011450400000000 ] - [ 0.0008278300000000, 0.0000000000000000, -0.0046607300000000 ] - [ 0.0006425800000000, 0.0000000000000000, 0.0012498000000000 ] - [ 0.0008174100000000, -0.0001980900000000, -0.0011729300000000 ] - [ 0.0001277100000000, 0.0000000000000000, -0.0022694100000000 ] - [ -0.0009854500000000, -0.0000714300000000, -0.0016141200000000 ] - [ -0.0003246600000000, 0.0000000000000000, -0.0011855900000000 ] - [ -0.0003766200000000, 0.0000073700000000, -0.0018832800000000 ] - [ -0.0004071800000000, 0.0000000000000000, -0.0016252700000000 ] - [ -0.0003344400000000, 0.0000000000000000, -0.0009051600000000 ] - [ 0.0000344400000000, 0.0000701300000000, -0.0016501900000000 ] - [ -0.0002922000000000, 0.0000000000000000, -0.0021026800000000 ] - [ -0.0003766200000000, -0.0000073700000000, -0.0018832800000000 ] - [ 0.0000711600000000, 0.0000000000000000, -0.0019237700000000 ] - [ 0.0000344400000000, -0.0000701300000000, -0.0016501900000000 ] - [ 0.0001348900000000, 0.0000071700000000, -0.0017581300000000 ] - [ 0.0003246100000000, 0.0000000000000000, -0.0018868900000000 ] - [ 0.0005388000000000, 0.0000000000000000, -0.0017787600000000 ] - [ 0.0001348900000000, -0.0000071700000000, -0.0017581300000000 ] - [ -0.0003404000000000, -0.0002953500000000, -0.0016922500000000 ] - [ -0.0004680600000000, 0.0000000000000000, -0.0020370300000000 ] - [ -0.0001862900000000, 0.0000000000000000, -0.0021856000000000 ] - [ -0.0002690300000000, 0.0003029800000000, -0.0016014000000000 ] - [ -0.0016766700000000, -0.0021658500000000, -0.0051405100000000 ] - [ 0.0003751500000000, 0.0000000000000000, -0.0015511500000000 ] - [ 0.0001288400000000, 0.0000000000000000, -0.0021086300000000 ] - [ 0.0001185000000000, -0.0000959700000000, -0.0027813000000000 ] - [ -0.0003460400000000, 0.0000000000000000, 0.0024164500000000 ] - [ 0.0004319500000000, -0.0000107300000000, 0.0001548600000000 ] - [ 0.0001185000000000, 0.0000959700000000, -0.0027813000000000 ] - [ 0.0033908600000000, 0.0000000000000000, -0.0052176800000000 ] - [ 0.0151256700000000, 0.0268481400000000, 0.0173073600000000 ] - [ 0.0027799600000000, 0.0000000000000000, 0.0043597100000000 ] - [ 0.0017143800000000, 0.0000000000000000, -0.0006383800000000 ] - [ -0.0022440900000000, 0.0000000000000000, 0.0016973600000000 ] - [ 0.0042006100000000, 0.0021055800000000, 0.0047509800000000 ] - [ 0.0151256700000000, -0.0268481400000000, 0.0173073600000000 ] - [ -0.0029073500000000, 0.0000000000000000, 0.0050182300000000 ] - [ 0.0042006100000000, -0.0021055800000000, 0.0047509800000000 ] - [ -0.0079566700000000, 0.0000000000000000, -0.0039367600000000 ] - [ 0.0024678500000000, 0.0000000000000000, 0.0098327800000000 ] - [ -0.0016619000000000, 0.0003408400000000, 0.0016876900000000 ] - [ 0.0049308900000000, 0.0048051600000000, -0.0018830800000000 ] - [ -0.0009854500000000, 0.0000714300000000, -0.0016141200000000 ] - [ -0.0003994900000000, 0.0000000000000000, -0.0021466400000000 ] - [ 0.0008174100000000, 0.0001980900000000, -0.0011729300000000 ] - [ -0.0001128600000000, 0.0000000000000000, -0.0027268400000000 ] - [ -0.0003228200000000, 0.0000301300000000, -0.0019680600000000 ] - [ 0.0002263000000000, 0.0000000000000000, -0.0018276600000000 ] - [ -0.0000261800000000, 0.0000000000000000, -0.0037910000000000 ] - [ -0.0002520100000000, 0.0001511600000000, -0.0022219000000000 ] - [ -0.0003318000000000, 0.0000000000000000, -0.0021348100000000 ] - [ -0.0003228200000000, -0.0000301300000000, -0.0019680600000000 ] - [ -0.0000551900000000, 0.0000000000000000, -0.0020363200000000 ] - [ -0.0002520100000000, -0.0001511600000000, -0.0022219000000000 ] - [ -0.0001814000000000, 0.0000174400000000, -0.0018668000000000 ] - [ 0.0002479700000000, 0.0000000000000000, -0.0019080200000000 ] - [ 0.0004718600000000, 0.0000000000000000, -0.0018804800000000 ] - [ -0.0001814000000000, -0.0000174400000000, -0.0018668000000000 ] - [ -0.0002690300000000, -0.0003029800000000, -0.0016014000000000 ] - [ 0.0003458000000000, 0.0000000000000000, -0.0015644200000000 ] - [ -0.0001112700000000, 0.0000000000000000, -0.0019385500000000 ] - [ -0.0003404000000000, 0.0002953500000000, -0.0016922500000000 ] - [ 0.0004319500000000, 0.0000107300000000, 0.0001548600000000 ] - [ -0.0001557800000000, 0.0000000000000000, -0.0025164600000000 ] - [ 0.0001610800000000, 0.0000000000000000, -0.0025128400000000 ] - [ -0.0002741400000000, -0.0000052700000000, -0.0018257200000000 ] - [ 0.0016888400000000, 0.0000000000000000, 0.0418618400000000 ] - [ -0.0016766700000000, 0.0021658500000000, -0.0051405100000000 ] - [ -0.0002741400000000, 0.0000052700000000, -0.0018257200000000 ] - [ -0.0013396500000000, 0.0000000000000000, -0.0007000000000000 ] - [ 0.0000904500000000, 0.0004642400000000, 0.0043593200000000 ] - [ -0.0007682000000000, 0.0000000000000000, 0.0034784600000000 ] - [ -0.0016124400000000, 0.0000000000000000, -0.0003458900000000 ] - [ 0.0016061100000000, 0.0000000000000000, 0.0029541500000000 ] - [ -0.0053528400000000, -0.0013024600000000, 0.0032438600000000 ] - [ 0.0000904500000000, -0.0004642400000000, 0.0043593200000000 ] - [ -0.0104555900000000, 0.0000000000000000, 0.0132797300000000 ] - [ -0.0053528400000000, 0.0013024600000000, 0.0032438600000000 ] - [ 0.0017311200000000, 0.0000000000000000, 0.0019579500000000 ] - [ -0.0029725400000000, 0.0000000000000000, 0.0065454800000000 ] - [ 0.0049308900000000, -0.0048051600000000, -0.0018830800000000 ] - [ -0.0016619000000000, -0.0003408400000000, 0.0016876900000000 ]- atom: 51 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0014493500000000, 0.0000000000000000, -0.0004809000000000 ] - [ 0.0005854800000000, 0.0000000000000000, -0.0023797000000000 ] - [ 0.0008217100000000, -0.0001516900000000, -0.0032228900000000 ] - [ 0.0000328600000000, 0.0000000000000000, -0.0028215300000000 ] - [ -0.0006570400000000, -0.0000777000000000, -0.0018937900000000 ] - [ -0.0001966500000000, -0.0000078000000000, -0.0028217800000000 ] - [ -0.0002968500000000, 0.0000000000000000, -0.0024769400000000 ] - [ -0.0001966500000000, 0.0000078000000000, -0.0028217800000000 ] - [ 0.0002678000000000, 0.0000000000000000, -0.0024093400000000 ] - [ -0.0001654100000000, 0.0000000000000000, -0.0030107100000000 ] - [ -0.0000938200000000, -0.0002625500000000, -0.0032054600000000 ] - [ 0.0021782600000000, 0.0000000000000000, 0.0002490800000000 ] - [ 0.0003587000000000, 0.0000000000000000, -0.0026093900000000 ] - [ -0.0002684300000000, 0.0000000000000000, -0.0020397000000000 ] - [ -0.0000938200000000, 0.0002625500000000, -0.0032054600000000 ] - [ -0.0000185000000000, 0.0000000000000000, -0.0024232700000000 ] - [ 0.0077606600000000, 0.0093208200000000, -0.0092802600000000 ] - [ -0.0013303400000000, 0.0000000000000000, 0.0043402800000000 ] - [ 0.0084864700000000, 0.0011234100000000, 0.0064539400000000 ] - [ 0.0022980300000000, 0.0000000000000000, 0.0181917200000000 ] - [ 0.0077606600000000, -0.0093208200000000, -0.0092802600000000 ] - [ -0.0096011200000000, 0.0065122700000000, 0.0038318100000000 ] - [ -0.0056877100000000, 0.0000000000000000, 0.0102525000000000 ] - [ 0.0014002400000000, 0.0000000000000000, -0.0196907800000000 ] - [ -0.0010673400000000, 0.0000000000000000, -0.0023259300000000 ] - [ -0.0008033500000000, 0.0000000000000000, -0.0035046900000000 ] - [ -0.0006570400000000, 0.0000777000000000, -0.0018937900000000 ] - [ -0.0001623700000000, 0.0000000000000000, -0.0027534100000000 ] - [ 0.0008217100000000, 0.0001516900000000, -0.0032228900000000 ] - [ -0.0002580200000000, -0.0000180700000000, -0.0029276500000000 ] - [ -0.0001378200000000, 0.0000000000000000, -0.0028255500000000 ] - [ -0.0002580200000000, 0.0000180700000000, -0.0029276500000000 ] - [ -0.0002415500000000, 0.0000000000000000, -0.0027161800000000 ] - [ -0.0000255700000000, 0.0000000000000000, -0.0028765700000000 ] - [ 0.0001477100000000, -0.0000817200000000, -0.0025501900000000 ] - [ -0.0130256500000000, 0.0000000000000000, -0.0101982500000000 ] - [ 0.0003630000000000, 0.0000000000000000, -0.0028006100000000 ] - [ 0.0002736400000000, 0.0000000000000000, -0.0055101800000000 ] - [ 0.0001477100000000, 0.0000817200000000, -0.0025501900000000 ] - [ 0.0009730400000000, 0.0000000000000000, -0.0028801800000000 ] - [ -0.0023185600000000, 0.0002291700000000, 0.0007630000000000 ] - [ -0.0016295000000000, 0.0000000000000000, 0.0041645000000000 ] - [ -0.0096011200000000, -0.0065122700000000, 0.0038318100000000 ] - [ -0.0051679500000000, 0.0000000000000000, 0.0116089500000000 ] - [ -0.0023185600000000, -0.0002291700000000, 0.0007630000000000 ] - [ 0.0084864700000000, -0.0011234100000000, 0.0064539400000000 ] - [ 0.0048981100000000, 0.0000000000000000, 0.0099250800000000 ] - [ -0.0001263800000000, 0.0000000000000000, -0.0002195700000000 ] - [ 0.0000722000000000, 0.0000000000000000, -0.0020734100000000 ] - [ -0.0013927100000000, 0.0000000000000000, -0.0018908300000000 ] - [ 0.0242038100000000, 0.0000000000000000, 0.0989597000000000 ] - [ 0.0006441200000000, 0.0000000000000000, -0.0021949300000000 ] - [ -0.0001147800000000, 0.0000000000000000, -0.0020428600000000 ] - [ 0.0015024000000000, 0.0000000000000000, -0.0011043600000000 ] - [ -0.0005694700000000, 0.0000000000000000, 0.0056878400000000 ] - [ -0.0006647400000000, 0.0000000000000000, -0.0017675800000000 ] - [ -0.0008251900000000, 0.0002720400000000, 0.0013890500000000 ] - [ -0.0003298900000000, 0.0000000000000000, 0.0017461300000000 ] - [ 0.0009627100000000, -0.0000067900000000, 0.0018272000000000 ] - [ -0.0003626000000000, 0.0000000000000000, 0.0001684600000000 ] - [ 0.0001140400000000, -0.0002345400000000, 0.0012125100000000 ] - [ 0.0000137800000000, 0.0000000000000000, 0.0016436700000000 ] - [ -0.0001060500000000, 0.0000000000000000, 0.0007807100000000 ] - [ -0.0002020000000000, -0.0000559000000000, 0.0013209200000000 ] - [ -0.0006100200000000, 0.0000000000000000, 0.0013578500000000 ] - [ 0.0001140400000000, 0.0002345400000000, 0.0012125100000000 ] - [ -0.0002336400000000, 0.0000000000000000, 0.0014648200000000 ] - [ -0.0002020000000000, 0.0000559000000000, 0.0013209200000000 ] - [ -0.0001839400000000, 0.0000772100000000, 0.0016406800000000 ] - [ 0.0000701600000000, 0.0000000000000000, 0.0017205900000000 ] - [ 0.0000389700000000, 0.0000000000000000, 0.0019935800000000 ] - [ -0.0001839400000000, -0.0000772100000000, 0.0016406800000000 ] - [ 0.0002344700000000, -0.0000028000000000, 0.0017349400000000 ] - [ 0.0003636300000000, 0.0000000000000000, 0.0021606000000000 ] - [ -0.0001782800000000, 0.0000000000000000, 0.0014979000000000 ] - [ 0.0001633700000000, -0.0000048700000000, 0.0016442900000000 ] - [ 0.0016268600000000, 0.0020693200000000, 0.0054379300000000 ] - [ -0.0001106800000000, 0.0000000000000000, 0.0010622500000000 ] - [ 0.0002127300000000, 0.0000000000000000, 0.0016644000000000 ] - [ -0.0002968600000000, 0.0000333200000000, 0.0017621600000000 ] - [ 0.0005712600000000, 0.0000000000000000, -0.0021110000000000 ] - [ -0.0004713500000000, 0.0000972900000000, 0.0001428600000000 ] - [ -0.0002968600000000, -0.0000333200000000, 0.0017621600000000 ] - [ -0.0037696800000000, 0.0000000000000000, 0.0048130700000000 ] - [ -0.0149987700000000, -0.0263328900000000, -0.0171485000000000 ] - [ -0.0019828700000000, 0.0000000000000000, -0.0040974600000000 ] - [ -0.0015897500000000, 0.0000000000000000, 0.0003623900000000 ] - [ 0.0021478500000000, 0.0000000000000000, -0.0008938800000000 ] - [ -0.0042203300000000, -0.0017393900000000, -0.0038632900000000 ] - [ -0.0149987700000000, 0.0263328900000000, -0.0171485000000000 ] - [ 0.0030990600000000, 0.0000000000000000, -0.0038941600000000 ] - [ -0.0042203300000000, 0.0017393900000000, -0.0038632900000000 ] - [ 0.0079522500000000, 0.0000000000000000, 0.0045791700000000 ] - [ -0.0020892000000000, 0.0000000000000000, -0.0097013300000000 ] - [ 0.0015129100000000, -0.0000894400000000, -0.0007022700000000 ] - [ -0.0050085400000000, -0.0049747300000000, 0.0028544500000000 ] - [ 0.0009627100000000, 0.0000067900000000, 0.0018272000000000 ] - [ 0.0001930500000000, 0.0000000000000000, 0.0016243300000000 ] - [ -0.0008251900000000, -0.0002720400000000, 0.0013890500000000 ] - [ -0.0005737100000000, 0.0000000000000000, 0.0016980300000000 ] - [ 0.0000608700000000, -0.0002570000000000, 0.0012965700000000 ] - [ -0.0006141500000000, 0.0000000000000000, 0.0018442100000000 ] - [ -0.0004102300000000, 0.0000000000000000, 0.0036409700000000 ] - [ 0.0000820100000000, -0.0001361000000000, 0.0018878000000000 ] - [ -0.0005704100000000, 0.0000000000000000, 0.0013898000000000 ] - [ 0.0000608700000000, 0.0002570000000000, 0.0012965700000000 ] - [ -0.0001080900000000, 0.0000000000000000, 0.0015766600000000 ] - [ 0.0000820100000000, 0.0001361000000000, 0.0018878000000000 ] - [ 0.0001322200000000, 0.0000669700000000, 0.0017494300000000 ] - [ 0.0001459200000000, 0.0000000000000000, 0.0017411200000000 ] - [ 0.0001053100000000, 0.0000000000000000, 0.0020946100000000 ] - [ 0.0001322200000000, -0.0000669700000000, 0.0017494300000000 ] - [ 0.0001633700000000, 0.0000048700000000, 0.0016442900000000 ] - [ -0.0004494100000000, 0.0000000000000000, 0.0016874400000000 ] - [ -0.0002529400000000, 0.0000000000000000, 0.0012509800000000 ] - [ 0.0002344700000000, 0.0000028000000000, 0.0017349400000000 ] - [ -0.0004713500000000, -0.0000972900000000, 0.0001428600000000 ] - [ 0.0004197500000000, 0.0000000000000000, 0.0020288500000000 ] - [ 0.0001800600000000, 0.0000000000000000, 0.0020696700000000 ] - [ 0.0000969400000000, -0.0000575400000000, 0.0008068300000000 ] - [ -0.0014167000000000, 0.0000000000000000, -0.0449632800000000 ] - [ 0.0016268600000000, -0.0020693200000000, 0.0054379300000000 ] - [ 0.0000969400000000, 0.0000575400000000, 0.0008068300000000 ] - [ 0.0009538700000000, 0.0000000000000000, 0.0003023300000000 ] - [ -0.0000812400000000, -0.0001543200000000, -0.0039456700000000 ] - [ 0.0015891500000000, 0.0000000000000000, -0.0031938200000000 ] - [ 0.0017437500000000, 0.0000000000000000, 0.0000747100000000 ] - [ -0.0016901500000000, 0.0000000000000000, -0.0021692000000000 ] - [ 0.0053679000000000, 0.0016829100000000, -0.0023453000000000 ] - [ -0.0000812400000000, 0.0001543200000000, -0.0039456700000000 ] - [ 0.0109412200000000, 0.0000000000000000, -0.0123881200000000 ] - [ 0.0053679000000000, -0.0016829100000000, -0.0023453000000000 ] - [ -0.0016065600000000, 0.0000000000000000, -0.0012592600000000 ] - [ 0.0033938000000000, 0.0000000000000000, -0.0064187400000000 ] - [ -0.0050085400000000, 0.0049747300000000, 0.0028544500000000 ] - [ 0.0015129100000000, 0.0000894400000000, -0.0007022700000000 ]- atom: 52 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001587000000000, 0.0000000000000000, 0.0003116500000000 ] - [ -0.0000391300000000, 0.0000000000000000, -0.0004192400000000 ] - [ 0.0001382100000000, 0.0000392300000000, -0.0000474900000000 ] - [ 0.0001128900000000, 0.0000000000000000, -0.0005443500000000 ] - [ 0.0000166500000000, -0.0000417300000000, -0.0000253500000000 ] - [ -0.0006233200000000, 0.0000568300000000, -0.0005288900000000 ] - [ -0.0002798200000000, 0.0000000000000000, 0.0000353500000000 ] - [ -0.0006233200000000, -0.0000568300000000, -0.0005288900000000 ] - [ -0.0000930200000000, 0.0000000000000000, -0.0000968700000000 ] - [ 0.0027941100000000, 0.0000000000000000, 0.0026306100000000 ] - [ 0.0086184300000000, -0.0056052700000000, 0.0081509000000000 ] - [ -0.0035885100000000, 0.0000000000000000, 0.0083140600000000 ] - [ 0.0012778400000000, 0.0000000000000000, -0.0026419700000000 ] - [ 0.0194490500000000, 0.0000000000000000, 0.0057793900000000 ] - [ 0.0086184300000000, 0.0056052700000000, 0.0081509000000000 ] - [ 0.0105132000000000, 0.0000000000000000, 0.0000049200000000 ] - [ -0.0037476000000000, -0.0000593200000000, -0.0044982300000000 ] - [ -0.0000805100000000, 0.0000000000000000, 0.0001207400000000 ] - [ 0.0001566000000000, 0.0001195400000000, 0.0004344500000000 ] - [ -0.0006817800000000, 0.0000000000000000, 0.0003822300000000 ] - [ -0.0037476000000000, 0.0000593200000000, -0.0044982300000000 ] - [ -0.0003620600000000, -0.0001288300000000, 0.0005039300000000 ] - [ 0.0011080000000000, 0.0000000000000000, -0.0005998100000000 ] - [ 0.0000254600000000, 0.0000000000000000, -0.0001798600000000 ] - [ 0.0001210600000000, 0.0000000000000000, 0.0002814100000000 ] - [ -0.0000910400000000, 0.0000000000000000, -0.0003532400000000 ] - [ 0.0000166500000000, 0.0000417300000000, -0.0000253500000000 ] - [ -0.0003945400000000, 0.0000000000000000, -0.0001693600000000 ] - [ 0.0001382100000000, -0.0000392300000000, -0.0000474900000000 ] - [ 0.0007618900000000, 0.0001301100000000, 0.0004842100000000 ] - [ 0.0001048100000000, 0.0000000000000000, 0.0001365800000000 ] - [ 0.0007618900000000, -0.0001301100000000, 0.0004842100000000 ] - [ -0.0001116000000000, 0.0000000000000000, 0.0002194800000000 ] - [ 0.0000991200000000, 0.0000000000000000, -0.0026619300000000 ] - [ 0.0089372300000000, -0.0088184300000000, -0.0118597500000000 ] - [ 0.0043728800000000, 0.0000000000000000, -0.0036476300000000 ] - [ -0.0011630500000000, 0.0000000000000000, 0.0024192500000000 ] - [ 0.0037911600000000, 0.0000000000000000, -0.0063836900000000 ] - [ 0.0089372300000000, 0.0088184300000000, -0.0118597500000000 ] - [ -0.0165429000000000, 0.0000000000000000, 0.0060086300000000 ] - [ 0.0043576000000000, 0.0003808000000000, 0.0019991200000000 ] - [ -0.0001799800000000, 0.0000000000000000, 0.0004871600000000 ] - [ -0.0003620600000000, 0.0001288300000000, 0.0005039300000000 ] - [ 0.0013913500000000, 0.0000000000000000, 0.0007039300000000 ] - [ 0.0043576000000000, -0.0003808000000000, 0.0019991200000000 ] - [ 0.0001566000000000, -0.0001195400000000, 0.0004344500000000 ] - [ -0.0011630600000000, 0.0000000000000000, 0.0013633700000000 ] - [ 0.0000284100000000, 0.0000000000000000, -0.0000695400000000 ] - [ -0.0047789300000000, 0.0000000000000000, -0.0002832600000000 ] - [ 0.0119379100000000, 0.0000000000000000, -0.0052825600000000 ] - [ 0.0001244600000000, 0.0000000000000000, -0.0001478000000000 ] - [ -0.1694475400000000, 0.0000000000000000, 0.0017768600000000 ] - [ 0.0022978600000000, 0.0000000000000000, -0.0002851900000000 ] - [ -0.0017828500000000, 0.0000000000000000, 0.0050807400000000 ] - [ 0.0001342000000000, 0.0000000000000000, 0.0011750700000000 ] - [ 0.0051670700000000, 0.0000000000000000, -0.0002737100000000 ] - [ -0.0000320200000000, 0.0000374300000000, 0.0001127500000000 ] - [ -0.0001498200000000, 0.0000000000000000, -0.0002350100000000 ] - [ 0.0000107500000000, -0.0000359200000000, 0.0001068800000000 ] - [ -0.0003273700000000, 0.0000000000000000, -0.0005162200000000 ] - [ 0.0000839400000000, -0.0000854800000000, -0.0002983000000000 ] - [ -0.0001350300000000, 0.0000000000000000, -0.0000100400000000 ] - [ -0.0002073400000000, 0.0000000000000000, -0.0000703500000000 ] - [ -0.0000497900000000, 0.0000010700000000, -0.0001157900000000 ] - [ 0.0002659600000000, 0.0000000000000000, -0.0003197500000000 ] - [ 0.0000839400000000, 0.0000854800000000, -0.0002983000000000 ] - [ 0.0000397500000000, 0.0000000000000000, -0.0000255700000000 ] - [ -0.0000497900000000, -0.0000010700000000, -0.0001157900000000 ] - [ 0.0044137500000000, -0.0019176400000000, 0.0032674400000000 ] - [ 0.0015761300000000, 0.0000000000000000, 0.0003985400000000 ] - [ 0.0003636100000000, 0.0000000000000000, 0.0004071300000000 ] - [ 0.0044137500000000, 0.0019176400000000, 0.0032674400000000 ] - [ -0.0006186600000000, -0.0003623200000000, -0.0013497300000000 ] - [ -0.0100325500000000, 0.0000000000000000, -0.0033976500000000 ] - [ -0.0019752400000000, 0.0000000000000000, -0.0061212100000000 ] - [ 0.0001528200000000, 0.0000968500000000, 0.0011027900000000 ] - [ -0.0020603400000000, 0.0020219200000000, 0.0048457600000000 ] - [ 0.0822038800000000, 0.0000000000000000, -0.0231911400000000 ] - [ -0.0038765200000000, 0.0000000000000000, 0.0047675900000000 ] - [ 0.0263663500000000, -0.0332758100000000, 0.0099200600000000 ] - [ -0.0008386800000000, 0.0000000000000000, -0.0019461300000000 ] - [ -0.0032897400000000, -0.0015549500000000, -0.0055642400000000 ] - [ 0.0263663500000000, 0.0332758100000000, 0.0099200600000000 ] - [ 0.0047398800000000, 0.0000000000000000, 0.0021548300000000 ] - [ 0.0002535300000000, 0.0001930200000000, 0.0004473800000000 ] - [ 0.0017794100000000, 0.0000000000000000, 0.0006552300000000 ] - [ 0.0119704100000000, 0.0000000000000000, 0.0000360600000000 ] - [ 0.0000318000000000, 0.0000000000000000, 0.0004268600000000 ] - [ 0.0015181500000000, -0.0000255100000000, 0.0005463800000000 ] - [ 0.0002535300000000, -0.0001930200000000, 0.0004473800000000 ] - [ 0.0003286500000000, 0.0000000000000000, 0.0004048900000000 ] - [ 0.0015181500000000, 0.0000255100000000, 0.0005463800000000 ] - [ 0.0001350900000000, 0.0000000000000000, 0.0003588700000000 ] - [ 0.0000459900000000, 0.0000000000000000, 0.0002109700000000 ] - [ -0.0000437300000000, 0.0001358900000000, 0.0004348800000000 ] - [ -0.0000970600000000, -0.0001129800000000, 0.0005377800000000 ] - [ 0.0000107500000000, 0.0000359200000000, 0.0001068800000000 ] - [ -0.0000554700000000, 0.0000000000000000, -0.0002842000000000 ] - [ -0.0000320200000000, -0.0000374300000000, 0.0001127500000000 ] - [ -0.0003629000000000, 0.0000000000000000, -0.0005040200000000 ] - [ -0.0003439200000000, -0.0001663300000000, -0.0003373600000000 ] - [ -0.0002597500000000, 0.0000000000000000, 0.0000421400000000 ] - [ -0.0002375200000000, 0.0000000000000000, -0.0000566600000000 ] - [ -0.0001291400000000, 0.0000123400000000, -0.0002129500000000 ] - [ -0.0011245000000000, 0.0000000000000000, -0.0004324500000000 ] - [ -0.0003439200000000, 0.0001663300000000, -0.0003373600000000 ] - [ -0.0002227900000000, 0.0000000000000000, -0.0004907800000000 ] - [ -0.0001291400000000, -0.0000123400000000, -0.0002129500000000 ] - [ -0.0033276500000000, -0.0005794600000000, -0.0015037500000000 ] - [ -0.0011355500000000, 0.0000000000000000, 0.0000635500000000 ] - [ 0.0001610400000000, 0.0000000000000000, -0.0001676600000000 ] - [ -0.0033276500000000, 0.0005794600000000, -0.0015037500000000 ] - [ 0.0001528200000000, -0.0000968500000000, 0.0011027900000000 ] - [ 0.0029956200000000, 0.0000000000000000, 0.0033412800000000 ] - [ -0.0015003200000000, 0.0000000000000000, 0.0016025800000000 ] - [ -0.0006186600000000, 0.0003623200000000, -0.0013497300000000 ] - [ -0.0032897400000000, 0.0015549500000000, -0.0055642400000000 ] - [ -0.0037737800000000, 0.0000000000000000, -0.0012000800000000 ] - [ 0.0001704600000000, 0.0000000000000000, -0.0051859400000000 ] - [ -0.0082167900000000, 0.0014219600000000, 0.0001216400000000 ] - [ 0.0010228600000000, 0.0000000000000000, 0.0022420800000000 ] - [ -0.0020603400000000, -0.0020219200000000, 0.0048457600000000 ] - [ -0.0082167900000000, -0.0014219600000000, 0.0001216400000000 ] - [ -0.0041998800000000, 0.0000000000000000, -0.0006336700000000 ] - [ -0.0002649700000000, 0.0001590400000000, -0.0000661900000000 ] - [ -0.0005784200000000, 0.0000000000000000, -0.0013600300000000 ] - [ -0.0036437400000000, 0.0000000000000000, -0.0003886800000000 ] - [ -0.0001296800000000, 0.0000000000000000, 0.0003198600000000 ] - [ -0.0015044200000000, 0.0001558200000000, 0.0008787500000000 ] - [ -0.0002649700000000, -0.0001590400000000, -0.0000661900000000 ] - [ -0.0002023600000000, 0.0000000000000000, 0.0007527400000000 ] - [ -0.0015044200000000, -0.0001558200000000, 0.0008787500000000 ] - [ -0.0000238900000000, 0.0000000000000000, 0.0003111900000000 ] - [ 0.0004219500000000, 0.0000000000000000, -0.0001247100000000 ] - [ -0.0000970600000000, 0.0001129800000000, 0.0005377800000000 ] - [ -0.0000437300000000, -0.0001358900000000, 0.0004348800000000 ]- atom: 52 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001310500000000, 0.0000000000000000, 0.0002841400000000 ] - [ -0.0000842500000000, 0.0000000000000000, -0.0003563300000000 ] - [ 0.0000226700000000, 0.0000399500000000, -0.0000235000000000 ] - [ -0.0003402200000000, 0.0000000000000000, -0.0001661900000000 ] - [ 0.0001441000000000, -0.0000374000000000, -0.0000455200000000 ] - [ 0.0005856900000000, -0.0000482400000000, 0.0005457000000000 ] - [ 0.0000820800000000, 0.0000000000000000, 0.0001318400000000 ] - [ 0.0005856900000000, 0.0000482400000000, 0.0005457000000000 ] - [ -0.0001034800000000, 0.0000000000000000, 0.0002213500000000 ] - [ -0.0027936500000000, 0.0000000000000000, -0.0026914200000000 ] - [ -0.0083795600000000, 0.0055590400000000, -0.0089554600000000 ] - [ 0.0035928000000000, 0.0000000000000000, -0.0086977800000000 ] - [ -0.0006771900000000, 0.0000000000000000, 0.0024142100000000 ] - [ -0.0192534500000000, 0.0000000000000000, -0.0064727000000000 ] - [ -0.0083795600000000, -0.0055590400000000, -0.0089554600000000 ] - [ -0.0098565700000000, 0.0000000000000000, -0.0003767500000000 ] - [ 0.0039373200000000, 0.0001727900000000, 0.0044661100000000 ] - [ -0.0001584800000000, 0.0000000000000000, 0.0004672000000000 ] - [ -0.0003713700000000, 0.0001142600000000, 0.0005175400000000 ] - [ 0.0011003300000000, 0.0000000000000000, 0.0006969900000000 ] - [ 0.0039373200000000, -0.0001727900000000, 0.0044661100000000 ] - [ 0.0001454300000000, -0.0001058000000000, 0.0004438700000000 ] - [ -0.0006996900000000, 0.0000000000000000, 0.0013663300000000 ] - [ 0.0000408800000000, 0.0000000000000000, -0.0000707000000000 ] - [ 0.0001690000000000, 0.0000000000000000, 0.0003128600000000 ] - [ -0.0000323200000000, 0.0000000000000000, -0.0004225700000000 ] - [ 0.0001441000000000, 0.0000374000000000, -0.0000455200000000 ] - [ 0.0001693800000000, 0.0000000000000000, -0.0005411500000000 ] - [ 0.0000226700000000, -0.0000399500000000, -0.0000235000000000 ] - [ -0.0007979600000000, -0.0001214000000000, -0.0004715800000000 ] - [ -0.0003024500000000, 0.0000000000000000, 0.0000298200000000 ] - [ -0.0007979600000000, 0.0001214000000000, -0.0004715800000000 ] - [ -0.0000842900000000, 0.0000000000000000, -0.0000960200000000 ] - [ -0.0001124500000000, 0.0000000000000000, 0.0026217400000000 ] - [ -0.0087102000000000, 0.0086693000000000, 0.0110677500000000 ] - [ -0.0042801900000000, 0.0000000000000000, 0.0032534500000000 ] - [ 0.0017741900000000, 0.0000000000000000, -0.0026321700000000 ] - [ -0.0036199300000000, 0.0000000000000000, 0.0056568100000000 ] - [ -0.0087102000000000, -0.0086693000000000, 0.0110677500000000 ] - [ 0.0171775200000000, 0.0000000000000000, -0.0062619400000000 ] - [ -0.0042275400000000, -0.0002943000000000, -0.0019717700000000 ] - [ -0.0000657000000000, 0.0000000000000000, 0.0001036500000000 ] - [ 0.0001454300000000, 0.0001058000000000, 0.0004438700000000 ] - [ -0.0009748000000000, 0.0000000000000000, 0.0003975100000000 ] - [ -0.0042275400000000, 0.0002943000000000, -0.0019717700000000 ] - [ -0.0003713700000000, -0.0001142600000000, 0.0005175400000000 ] - [ 0.0015378300000000, 0.0000000000000000, -0.0006025800000000 ] - [ 0.0000357400000000, 0.0000000000000000, -0.0001801200000000 ] - [ 0.0046152000000000, 0.0000000000000000, -0.0001064000000000 ] - [ -0.0119941200000000, 0.0000000000000000, 0.0053935600000000 ] - [ 0.0001436900000000, 0.0000000000000000, 0.0011722200000000 ] - [ 0.1645497300000000, 0.0000000000000000, 0.0003339600000000 ] - [ -0.0024675600000000, 0.0000000000000000, -0.0001455600000000 ] - [ 0.0017742200000000, 0.0000000000000000, -0.0050375900000000 ] - [ 0.0001263800000000, 0.0000000000000000, -0.0001455200000000 ] - [ -0.0051866400000000, 0.0000000000000000, -0.0002532900000000 ] - [ 0.0000166000000000, 0.0000353100000000, 0.0001044900000000 ] - [ -0.0000527000000000, 0.0000000000000000, -0.0002846400000000 ] - [ -0.0000256500000000, -0.0000371500000000, 0.0001111600000000 ] - [ -0.0003556000000000, 0.0000000000000000, -0.0005052200000000 ] - [ -0.0003461800000000, -0.0001422400000000, -0.0003719900000000 ] - [ -0.0002538600000000, 0.0000000000000000, 0.0000323000000000 ] - [ -0.0002309600000000, 0.0000000000000000, -0.0000590500000000 ] - [ -0.0001182500000000, 0.0000141800000000, -0.0002122200000000 ] - [ -0.0011670900000000, 0.0000000000000000, -0.0004287400000000 ] - [ -0.0003461800000000, 0.0001422400000000, -0.0003719900000000 ] - [ -0.0002019500000000, 0.0000000000000000, -0.0004322300000000 ] - [ -0.0001182500000000, -0.0000141800000000, -0.0002122200000000 ] - [ -0.0044336300000000, 0.0020045800000000, -0.0033874700000000 ] - [ -0.0011796000000000, 0.0000000000000000, -0.0005708500000000 ] - [ 0.0002155800000000, 0.0000000000000000, -0.0001934200000000 ] - [ -0.0044336300000000, -0.0020045800000000, -0.0033874700000000 ] - [ 0.0005111400000000, 0.0000670400000000, 0.0013912800000000 ] - [ 0.0100249600000000, 0.0000000000000000, 0.0035940700000000 ] - [ 0.0015868800000000, 0.0000000000000000, 0.0054532800000000 ] - [ -0.0002530300000000, 0.0002025100000000, -0.0010634500000000 ] - [ 0.0020021500000000, -0.0021409500000000, -0.0045740000000000 ] - [ -0.0772838100000000, 0.0000000000000000, 0.0209517000000000 ] - [ 0.0042314600000000, 0.0000000000000000, -0.0052156400000000 ] - [ -0.0266223100000000, 0.0340654700000000, -0.0112741300000000 ] - [ 0.0010627600000000, 0.0000000000000000, 0.0022418900000000 ] - [ 0.0032382800000000, 0.0016290500000000, 0.0058230900000000 ] - [ -0.0266223100000000, -0.0340654700000000, -0.0112741300000000 ] - [ -0.0051436700000000, 0.0000000000000000, -0.0025194700000000 ] - [ -0.0002135800000000, 0.0001319400000000, -0.0000416800000000 ] - [ -0.0009904300000000, 0.0000000000000000, -0.0003498600000000 ] - [ -0.0118281300000000, 0.0000000000000000, -0.0004202900000000 ] - [ -0.0001193700000000, 0.0000000000000000, 0.0003191400000000 ] - [ -0.0015103300000000, 0.0003842300000000, 0.0003876800000000 ] - [ -0.0002135800000000, -0.0001319400000000, -0.0000416800000000 ] - [ -0.0001918000000000, 0.0000000000000000, 0.0007051700000000 ] - [ -0.0015103300000000, -0.0003842300000000, 0.0003876800000000 ] - [ -0.0000202100000000, 0.0000000000000000, 0.0003198500000000 ] - [ 0.0003552900000000, 0.0000000000000000, -0.0001318900000000 ] - [ -0.0000927100000000, 0.0001124500000000, 0.0005312400000000 ] - [ -0.0000419000000000, -0.0001353000000000, 0.0004277200000000 ] - [ -0.0000256500000000, 0.0000371500000000, 0.0001111600000000 ] - [ -0.0001475100000000, 0.0000000000000000, -0.0002355400000000 ] - [ 0.0000166000000000, -0.0000353100000000, 0.0001044900000000 ] - [ -0.0003204700000000, 0.0000000000000000, -0.0005171300000000 ] - [ 0.0000829400000000, -0.0000611000000000, -0.0003316700000000 ] - [ -0.0001287600000000, 0.0000000000000000, -0.0000198200000000 ] - [ -0.0002009500000000, 0.0000000000000000, -0.0000722500000000 ] - [ -0.0000389200000000, 0.0000028000000000, -0.0001145300000000 ] - [ 0.0002229200000000, 0.0000000000000000, -0.0003103200000000 ] - [ 0.0000829400000000, 0.0000611000000000, -0.0003316700000000 ] - [ 0.0000597400000000, 0.0000000000000000, 0.0000343500000000 ] - [ -0.0000389200000000, -0.0000028000000000, -0.0001145300000000 ] - [ 0.0032791800000000, 0.0006753300000000, 0.0014087900000000 ] - [ 0.0015334800000000, 0.0000000000000000, -0.0002286600000000 ] - [ 0.0004173200000000, 0.0000000000000000, 0.0003828900000000 ] - [ 0.0032791800000000, -0.0006753300000000, 0.0014087900000000 ] - [ -0.0002530300000000, -0.0002025100000000, -0.0010634500000000 ] - [ -0.0030658100000000, 0.0000000000000000, -0.0031970200000000 ] - [ 0.0011488000000000, 0.0000000000000000, -0.0022830000000000 ] - [ 0.0005111400000000, -0.0000670400000000, 0.0013912800000000 ] - [ 0.0032382800000000, -0.0016290500000000, 0.0058230900000000 ] - [ 0.0039930600000000, 0.0000000000000000, 0.0007263600000000 ] - [ 0.0001478200000000, 0.0000000000000000, 0.0047049400000000 ] - [ 0.0080653700000000, -0.0014950100000000, -0.0011201700000000 ] - [ -0.0008233400000000, 0.0000000000000000, -0.0019360900000000 ] - [ 0.0020021500000000, 0.0021409500000000, -0.0045740000000000 ] - [ 0.0080653700000000, 0.0014950100000000, -0.0011201700000000 ] - [ 0.0038153500000000, 0.0000000000000000, 0.0002274600000000 ] - [ 0.0003067900000000, 0.0001660100000000, 0.0004655400000000 ] - [ 0.0013976000000000, 0.0000000000000000, 0.0016385800000000 ] - [ 0.0037690500000000, 0.0000000000000000, 0.0001139900000000 ] - [ 0.0000421700000000, 0.0000000000000000, 0.0004234100000000 ] - [ 0.0014897500000000, 0.0002178800000000, 0.0000246800000000 ] - [ 0.0003067900000000, -0.0001660100000000, 0.0004655400000000 ] - [ 0.0003353300000000, 0.0000000000000000, 0.0003519000000000 ] - [ 0.0014897500000000, -0.0002178800000000, 0.0000246800000000 ] - [ 0.0001390300000000, 0.0000000000000000, 0.0003658700000000 ] - [ -0.0000137400000000, 0.0000000000000000, 0.0002081200000000 ] - [ -0.0000419000000000, 0.0001353000000000, 0.0004277200000000 ] - [ -0.0000927100000000, -0.0001124500000000, 0.0005312400000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001447200000000, -0.0000014600000000, 0.0002975900000000 ] - [ -0.0000617100000000, 0.0000007700000000, -0.0003879400000000 ] - [ 0.0000811200000000, 0.0000389700000000, -0.0000343600000000 ] - [ -0.0001128700000000, -0.0000344200000000, -0.0003557300000000 ] - [ 0.0000793200000000, -0.0000399200000000, -0.0000359700000000 ] - [ 0.0001281000000000, 0.0000092700000000, 0.0001578100000000 ] - [ -0.0000995600000000, 0.0000131100000000, 0.0000832000000000 ] - [ -0.0001676800000000, 0.0000002700000000, -0.0001454700000000 ] - [ -0.0000983400000000, -0.0000043100000000, 0.0000616600000000 ] - [ 0.0000010100000000, 0.0002868900000000, -0.0000196400000000 ] - [ -0.0090736700000000, 0.0003077700000000, -0.0068953700000000 ] - [ 0.0000212300000000, -0.0018891800000000, -0.0002313100000000 ] - [ 0.0003059600000000, -0.0004409500000000, -0.0001111400000000 ] - [ -0.0000011800000000, -0.0018003300000000, -0.0003455300000000 ] - [ 0.0092881000000000, 0.0004483700000000, 0.0061701700000000 ] - [ 0.0003596300000000, 0.0004058900000000, -0.0001657400000000 ] - [ -0.0003493500000000, 0.0007142700000000, -0.0048261500000000 ] - [ -0.0001210700000000, 0.0000101700000000, 0.0002944700000000 ] - [ -0.0001023000000000, 0.0001153300000000, 0.0004830900000000 ] - [ 0.0002051100000000, 0.0001330500000000, 0.0005432900000000 ] - [ 0.0004559000000000, 0.0005293700000000, 0.0048637900000000 ] - [ -0.0001166800000000, -0.0001185600000000, 0.0004655800000000 ] - [ 0.0002001600000000, -0.0003139000000000, 0.0003801200000000 ] - [ 0.0000325400000000, -0.0000030200000000, -0.0001249800000000 ] - [ 0.0001447400000000, -0.0000028500000000, 0.0002974500000000 ] - [ -0.0000617500000000, 0.0000006600000000, -0.0003878000000000 ] - [ 0.0000808000000000, 0.0000393400000000, -0.0000348300000000 ] - [ -0.0001138400000000, -0.0000155800000000, -0.0003550600000000 ] - [ 0.0000793500000000, -0.0000403100000000, -0.0000364000000000 ] - [ 0.0000428100000000, 0.0000020200000000, 0.0000396000000000 ] - [ -0.0000986500000000, 0.0000176000000000, 0.0000836100000000 ] - [ -0.0000779000000000, -0.0000065100000000, -0.0000229700000000 ] - [ -0.0000983600000000, -0.0000025600000000, 0.0000622800000000 ] - [ -0.0000038500000000, 0.0025824700000000, -0.0000311200000000 ] - [ -0.0049583600000000, 0.0007240200000000, 0.0006696600000000 ] - [ 0.0000420300000000, 0.0021724500000000, -0.0002101000000000 ] - [ 0.0002999300000000, -0.0002063700000000, -0.0001089100000000 ] - [ -0.0000648900000000, 0.0248344900000000, -0.0003701100000000 ] - [ 0.0051898900000000, 0.0007598000000000, -0.0014382700000000 ] - [ 0.0002887100000000, 0.0251671000000000, -0.0002441800000000 ] - [ 0.0006770900000000, 0.0000881700000000, 0.0004882900000000 ] - [ -0.0001214000000000, 0.0000128300000000, 0.0002947100000000 ] - [ -0.0001000900000000, 0.0001155300000000, 0.0004844900000000 ] - [ 0.0002066800000000, 0.0001630800000000, 0.0005468300000000 ] - [ -0.0005569300000000, 0.0000016000000000, -0.0004808500000000 ] - [ -0.0001142500000000, -0.0001183100000000, 0.0004674300000000 ] - [ 0.0001983900000000, -0.0001283500000000, 0.0003837300000000 ] - [ 0.0000324000000000, -0.0000027200000000, -0.0001248300000000 ] - [ -0.0000891400000000, -0.0023118700000000, -0.0001981600000000 ] - [ 0.0000475000000000, -0.0027305500000000, 0.0000056100000000 ] - [ 0.0001326900000000, -0.0000151200000000, 0.0005142200000000 ] - [ 0.0022683900000000, -0.1631547700000000, 0.0010766800000000 ] - [ -0.0000786600000000, -0.0000301600000000, -0.0002124300000000 ] - [ 0.0000996100000000, 0.0126844900000000, 0.0000698900000000 ] - [ 0.0001320100000000, 0.0000090700000000, 0.0005126400000000 ] - [ -0.0000024800000000, -0.0001003100000000, -0.0002630800000000 ] - [ -0.0000078000000000, 0.0000358900000000, 0.0001090600000000 ] - [ -0.0001016400000000, 0.0000008100000000, -0.0002600900000000 ] - [ -0.0000075400000000, -0.0000372700000000, 0.0001086100000000 ] - [ -0.0003418400000000, -0.0000005900000000, -0.0005106900000000 ] - [ -0.0001277500000000, -0.0001155700000000, -0.0003179100000000 ] - [ -0.0001941500000000, -0.0000026200000000, 0.0000108400000000 ] - [ -0.0002194200000000, -0.0000006800000000, -0.0000646600000000 ] - [ -0.0000844100000000, 0.0000063600000000, -0.0001601500000000 ] - [ -0.0004481300000000, 0.0001911700000000, -0.0003732400000000 ] - [ -0.0001326900000000, 0.0001119200000000, -0.0003524700000000 ] - [ -0.0000816900000000, 0.0000330500000000, -0.0002281200000000 ] - [ -0.0000841800000000, -0.0000091500000000, -0.0001680400000000 ] - [ -0.0025692200000000, -0.0019131100000000, 0.0032833900000000 ] - [ 0.0002002300000000, -0.0003288400000000, -0.0000838300000000 ] - [ 0.0002889100000000, -0.0000374300000000, 0.0001078000000000 ] - [ 0.0025236100000000, -0.0020224100000000, -0.0033717100000000 ] - [ 0.0000335700000000, -0.0001447200000000, 0.0001976500000000 ] - [ -0.0000568400000000, 0.0029533300000000, 0.0000604800000000 ] - [ -0.0001862500000000, 0.0030761300000000, -0.0003481600000000 ] - [ 0.0002031100000000, 0.0002866600000000, -0.0004793600000000 ] - [ 0.0018123600000000, -0.0014384800000000, -0.0027757800000000 ] - [ -0.0000835300000000, 0.0058330400000000, -0.0001846100000000 ] - [ 0.0001751700000000, 0.0001976800000000, -0.0002296800000000 ] - [ -0.0325698600000000, 0.0578552200000000, -0.0204672900000000 ] - [ 0.0001093800000000, 0.0004839000000000, 0.0001535900000000 ] - [ -0.0018816900000000, 0.0003508800000000, -0.0011537400000000 ] - [ 0.0304223000000000, 0.0551590200000000, 0.0181822700000000 ] - [ -0.0001706000000000, -0.0079756300000000, -0.0002516000000000 ] - [ 0.0000236400000000, 0.0001540700000000, 0.0001798800000000 ] - [ 0.0003984300000000, 0.0001163600000000, 0.0001553200000000 ] - [ 0.0000593300000000, 0.0088495900000000, -0.0001938000000000 ] - [ -0.0000439700000000, -0.0000028700000000, 0.0003722100000000 ] - [ -0.0004919100000000, 0.0004847600000000, -0.0001186600000000 ] - [ 0.0000175400000000, -0.0001706900000000, 0.0002233800000000 ] - [ 0.0000669400000000, -0.0000371200000000, 0.0005529400000000 ] - [ 0.0004841500000000, 0.0001347800000000, 0.0010349300000000 ] - [ 0.0000574200000000, 0.0000015000000000, 0.0003386000000000 ] - [ 0.0002013600000000, 0.0000206800000000, 0.0000403900000000 ] - [ -0.0000691100000000, 0.0001256800000000, 0.0004773000000000 ] - [ -0.0000696200000000, -0.0001241500000000, 0.0004856200000000 ] - [ -0.0000077800000000, 0.0000358700000000, 0.0001089900000000 ] - [ -0.0001015300000000, 0.0000007200000000, -0.0002601900000000 ] - [ -0.0000080600000000, -0.0000370200000000, 0.0001081900000000 ] - [ -0.0003419200000000, -0.0000004700000000, -0.0005107300000000 ] - [ -0.0001469600000000, -0.0001189900000000, -0.0003168900000000 ] - [ -0.0001944000000000, -0.0000027300000000, 0.0000109300000000 ] - [ -0.0002194300000000, -0.0000008800000000, -0.0000645700000000 ] - [ -0.0000859400000000, 0.0000061600000000, -0.0001598000000000 ] - [ -0.0004512000000000, -0.0000022000000000, -0.0003729600000000 ] - [ -0.0001150900000000, 0.0001086100000000, -0.0003537300000000 ] - [ -0.0000821200000000, 0.0000110500000000, -0.0002290200000000 ] - [ -0.0000829300000000, -0.0000093400000000, -0.0001687600000000 ] - [ -0.0000576000000000, 0.0000680900000000, -0.0000051500000000 ] - [ 0.0001966300000000, 0.0000151500000000, -0.0000854500000000 ] - [ 0.0002886600000000, -0.0000151300000000, 0.0001065700000000 ] - [ 0.0000029100000000, -0.0000137800000000, -0.0001153800000000 ] - [ -0.0003088700000000, -0.0000095500000000, 0.0005252800000000 ] - [ -0.0001042100000000, -0.0091134100000000, 0.0001097700000000 ] - [ -0.0001914900000000, -0.0005797000000000, -0.0003304700000000 ] - [ -0.0001393600000000, 0.0001545000000000, -0.0001609900000000 ] - [ 0.0018354200000000, 0.0002386500000000, 0.0014524100000000 ] - [ 0.0001087500000000, -0.0057194900000000, -0.0002335500000000 ] - [ 0.0001728400000000, -0.0043609700000000, -0.0002371700000000 ] - [ -0.0007810500000000, 0.0001920900000000, -0.0007623000000000 ] - [ 0.0001176500000000, -0.0004915300000000, 0.0001456300000000 ] - [ -0.0018348400000000, -0.0013714500000000, 0.0030740600000000 ] - [ 0.0006037900000000, 0.0002777400000000, -0.0002528400000000 ] - [ -0.0001950200000000, 0.0005970200000000, -0.0001968200000000 ] - [ 0.0000439400000000, 0.0001535900000000, 0.0001826400000000 ] - [ 0.0004075700000000, -0.0002358600000000, 0.0001458000000000 ] - [ 0.0000643500000000, -0.0005498700000000, -0.0001337200000000 ] - [ -0.0000439300000000, -0.0000021800000000, 0.0003720000000000 ] - [ 0.0002560100000000, 0.0001597300000000, 0.0001640400000000 ] - [ -0.0000025200000000, -0.0001720800000000, 0.0002196700000000 ] - [ 0.0000672900000000, -0.0000257200000000, 0.0005526200000000 ] - [ -0.0002657300000000, -0.0002142300000000, 0.0007456800000000 ] - [ 0.0000573700000000, 0.0000007300000000, 0.0003385800000000 ] - [ 0.0002023400000000, 0.0000484400000000, 0.0000403700000000 ] - [ -0.0000689300000000, 0.0001243800000000, 0.0004793600000000 ] - [ -0.0000692300000000, -0.0001229200000000, 0.0004877700000000 ]- atom: 52 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001446800000000, 0.0000000000000000, 0.0030517800000000 ] - [ -0.0001042100000000, 0.0000000000000000, 0.0020602500000000 ] - [ 0.0000611200000000, 0.0000288400000000, 0.0024012900000000 ] - [ -0.0003497200000000, 0.0000000000000000, 0.0020407200000000 ] - [ 0.0001392500000000, -0.0000324600000000, 0.0024577700000000 ] - [ -0.0001830500000000, 0.0000879600000000, 0.0032331300000000 ] - [ 0.0000185300000000, 0.0000000000000000, 0.0029504800000000 ] - [ -0.0001830500000000, -0.0000879600000000, 0.0032331300000000 ] - [ -0.0002655800000000, 0.0000000000000000, 0.0027335500000000 ] - [ 0.0036251400000000, 0.0000000000000000, 0.0029621800000000 ] - [ 0.0090529400000000, -0.0054358800000000, -0.0009823700000000 ] - [ 0.0138751100000000, 0.0000000000000000, 0.0099575200000000 ] - [ -0.0008052500000000, 0.0000000000000000, 0.0007530900000000 ] - [ 0.0044931300000000, 0.0000000000000000, -0.0133193000000000 ] - [ 0.0090529400000000, 0.0054358800000000, -0.0009823700000000 ] - [ 0.0021644300000000, 0.0000000000000000, -0.0031721300000000 ] - [ -0.0079892400000000, -0.0098207700000000, 0.0093604200000000 ] - [ -0.0005542400000000, 0.0000000000000000, 0.0030040600000000 ] - [ -0.0002307600000000, 0.0002336700000000, 0.0026653400000000 ] - [ -0.0000871700000000, 0.0000000000000000, 0.0055716400000000 ] - [ -0.0079892400000000, 0.0098207700000000, 0.0093604200000000 ] - [ -0.0000471900000000, -0.0001105300000000, 0.0033268400000000 ] - [ -0.0021814600000000, 0.0000000000000000, 0.0018836400000000 ] - [ -0.0001335300000000, 0.0000000000000000, 0.0027982700000000 ] - [ 0.0001288400000000, 0.0000000000000000, 0.0032260000000000 ] - [ -0.0000688300000000, 0.0000000000000000, 0.0020669400000000 ] - [ 0.0001392500000000, 0.0000324600000000, 0.0024577700000000 ] - [ 0.0000129300000000, 0.0000000000000000, 0.0021577900000000 ] - [ 0.0000611200000000, -0.0000288400000000, 0.0024012900000000 ] - [ 0.0005395500000000, 0.0001055800000000, 0.0025625100000000 ] - [ 0.0000237000000000, 0.0000000000000000, 0.0026986800000000 ] - [ 0.0005395500000000, -0.0001055800000000, 0.0025625100000000 ] - [ -0.0001444900000000, 0.0000000000000000, 0.0026303200000000 ] - [ -0.0030781600000000, 0.0000000000000000, 0.0045898700000000 ] - [ -0.0074214000000000, 0.0011445000000000, -0.0038032100000000 ] - [ -0.0020583300000000, 0.0000000000000000, -0.0007192700000000 ] - [ 0.0010823800000000, 0.0000000000000000, 0.0023224900000000 ] - [ -0.0009596000000000, 0.0000000000000000, -0.0207834600000000 ] - [ -0.0074214000000000, -0.0011445000000000, -0.0038032100000000 ] - [ -0.0001106100000000, 0.0000000000000000, -0.0000108000000000 ] - [ 0.0024176900000000, -0.0001558000000000, -0.0009241300000000 ] - [ 0.0004345100000000, 0.0000000000000000, 0.0026381200000000 ] - [ -0.0000471900000000, 0.0001105300000000, 0.0033268400000000 ] - [ 0.0005468300000000, 0.0000000000000000, 0.0021516500000000 ] - [ 0.0024176900000000, 0.0001558000000000, -0.0009241300000000 ] - [ -0.0002307600000000, -0.0002336700000000, 0.0026653400000000 ] - [ 0.0024960800000000, 0.0000000000000000, 0.0029598200000000 ] - [ 0.0001852200000000, 0.0000000000000000, 0.0027524900000000 ] - [ -0.0007696800000000, 0.0000000000000000, 0.0090041600000000 ] - [ -0.0032445800000000, 0.0000000000000000, -0.0072629000000000 ] - [ -0.0004508300000000, 0.0000000000000000, 0.0024365700000000 ] - [ -0.0228782000000000, 0.0000000000000000, -0.0943963200000000 ] - [ 0.0000014500000000, 0.0000000000000000, 0.0001696800000000 ] - [ 0.0045372800000000, 0.0000000000000000, -0.0074377500000000 ] - [ 0.0007157500000000, 0.0000000000000000, 0.0020297800000000 ] - [ 0.0007228700000000, 0.0000000000000000, -0.0057482200000000 ] - [ -0.0001538300000000, -0.0002707800000000, -0.0014319500000000 ] - [ -0.0000822700000000, 0.0000000000000000, -0.0022358900000000 ] - [ -0.0002026400000000, 0.0002865200000000, -0.0014951100000000 ] - [ -0.0000190200000000, 0.0000000000000000, -0.0020853300000000 ] - [ -0.0004368500000000, -0.0000008100000000, -0.0020758000000000 ] - [ -0.0001465200000000, 0.0000000000000000, -0.0017241900000000 ] - [ -0.0002566900000000, 0.0000000000000000, -0.0022045800000000 ] - [ -0.0000991500000000, 0.0001022600000000, -0.0019532500000000 ] - [ -0.0000443600000000, 0.0000000000000000, -0.0028076200000000 ] - [ -0.0004368500000000, 0.0000008100000000, -0.0020758000000000 ] - [ 0.0001803800000000, 0.0000000000000000, -0.0021098100000000 ] - [ -0.0000991500000000, -0.0001022600000000, -0.0019532500000000 ] - [ 0.0038172800000000, 0.0034399700000000, -0.0029498900000000 ] - [ 0.0000718200000000, 0.0000000000000000, -0.0025445600000000 ] - [ 0.0006065100000000, 0.0000000000000000, -0.0018990400000000 ] - [ 0.0038172800000000, -0.0034399700000000, -0.0029498900000000 ] - [ -0.0009986500000000, -0.0005053900000000, -0.0017694700000000 ] - [ -0.0040111900000000, 0.0000000000000000, 0.0040836200000000 ] - [ -0.0066302000000000, 0.0000000000000000, -0.0046869100000000 ] - [ 0.0006500300000000, 0.0005379000000000, -0.0015628800000000 ] - [ 0.0042151700000000, -0.0022889700000000, 0.0044649500000000 ] - [ -0.0118970100000000, 0.0000000000000000, 0.0151459100000000 ] - [ 0.0013296800000000, 0.0000000000000000, 0.0017449500000000 ] - [ 0.0148214700000000, -0.0265543400000000, 0.0197840700000000 ] - [ -0.0014897000000000, 0.0000000000000000, -0.0000428600000000 ] - [ -0.0059167900000000, -0.0012747200000000, 0.0028123400000000 ] - [ 0.0148214700000000, 0.0265543400000000, 0.0197840700000000 ] - [ 0.0029991500000000, 0.0000000000000000, 0.0038879200000000 ] - [ 0.0002329800000000, 0.0002183000000000, -0.0019629500000000 ] - [ 0.0047421100000000, 0.0000000000000000, -0.0044374100000000 ] - [ 0.0015846400000000, 0.0000000000000000, 0.0308528300000000 ] - [ -0.0000291900000000, 0.0000000000000000, -0.0019853400000000 ] - [ -0.0020100100000000, 0.0028144300000000, -0.0043427100000000 ] - [ 0.0002329800000000, -0.0002183000000000, -0.0019629500000000 ] - [ -0.0001901400000000, 0.0000000000000000, -0.0016221800000000 ] - [ -0.0020100100000000, -0.0028144300000000, -0.0043427100000000 ] - [ 0.0004907000000000, 0.0000000000000000, -0.0013516400000000 ] - [ 0.0007253100000000, 0.0000000000000000, -0.0018183600000000 ] - [ -0.0004610700000000, 0.0004732000000000, -0.0011486600000000 ] - [ -0.0000744700000000, -0.0004747800000000, -0.0010257800000000 ] - [ -0.0002026400000000, -0.0002865200000000, -0.0014951100000000 ] - [ -0.0001770400000000, 0.0000000000000000, -0.0022968400000000 ] - [ -0.0001538300000000, 0.0002707800000000, -0.0014319500000000 ] - [ 0.0000386700000000, 0.0000000000000000, -0.0020937500000000 ] - [ -0.0002689700000000, 0.0000201000000000, -0.0017897900000000 ] - [ -0.0000523400000000, 0.0000000000000000, -0.0016727400000000 ] - [ -0.0001968000000000, 0.0000000000000000, -0.0021849500000000 ] - [ -0.0001104700000000, 0.0000933400000000, -0.0018906200000000 ] - [ -0.0005382900000000, 0.0000000000000000, -0.0016249100000000 ] - [ -0.0002689700000000, -0.0000201000000000, -0.0017897900000000 ] - [ -0.0001491400000000, 0.0000000000000000, -0.0018989700000000 ] - [ -0.0001104700000000, -0.0000933400000000, -0.0018906200000000 ] - [ -0.0017743800000000, -0.0004810200000000, 0.0007191800000000 ] - [ 0.0000936800000000, 0.0000000000000000, -0.0010936900000000 ] - [ 0.0003947100000000, 0.0000000000000000, -0.0016815600000000 ] - [ -0.0017743800000000, 0.0004810200000000, 0.0007191800000000 ] - [ 0.0006500300000000, -0.0005379000000000, -0.0015628800000000 ] - [ 0.0028213400000000, 0.0000000000000000, 0.0065167000000000 ] - [ 0.0021859500000000, 0.0000000000000000, 0.0009889300000000 ] - [ -0.0009986500000000, 0.0005053900000000, -0.0017694700000000 ] - [ -0.0059167900000000, 0.0012747200000000, 0.0028123400000000 ] - [ -0.0036516700000000, 0.0000000000000000, 0.0039897700000000 ] - [ -0.0016243400000000, 0.0000000000000000, 0.0000535900000000 ] - [ 0.0004896900000000, -0.0005537300000000, 0.0036009100000000 ] - [ 0.0016872700000000, 0.0000000000000000, -0.0003560100000000 ] - [ 0.0042151700000000, 0.0022889700000000, 0.0044649500000000 ] - [ 0.0004896900000000, 0.0005537300000000, 0.0036009100000000 ] - [ -0.0016201500000000, 0.0000000000000000, 0.0031531300000000 ] - [ -0.0001634800000000, 0.0001758900000000, -0.0011069400000000 ] - [ -0.0010142700000000, 0.0000000000000000, -0.0002744200000000 ] - [ -0.0003542300000000, 0.0000000000000000, 0.0022654800000000 ] - [ -0.0000635400000000, 0.0000000000000000, -0.0016151200000000 ] - [ 0.0005832500000000, 0.0000248000000000, 0.0004791700000000 ] - [ -0.0001634800000000, -0.0001758900000000, -0.0011069400000000 ] - [ 0.0002535500000000, 0.0000000000000000, -0.0007285500000000 ] - [ 0.0005832500000000, -0.0000248000000000, 0.0004791700000000 ] - [ 0.0004227200000000, 0.0000000000000000, -0.0011063400000000 ] - [ -0.0003105700000000, 0.0000000000000000, -0.0025554000000000 ] - [ -0.0000744700000000, 0.0004747800000000, -0.0010257800000000 ] - [ -0.0004610700000000, -0.0004732000000000, -0.0011486600000000 ]- atom: 52 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001449700000000, 0.0000000000000000, -0.0024633400000000 ] - [ -0.0000194400000000, 0.0000000000000000, -0.0028390900000000 ] - [ 0.0000991600000000, 0.0000499500000000, -0.0024747200000000 ] - [ 0.0001230600000000, 0.0000000000000000, -0.0027539500000000 ] - [ 0.0000208400000000, -0.0000463100000000, -0.0025315800000000 ] - [ 0.0001487100000000, -0.0000810700000000, -0.0032247000000000 ] - [ -0.0002167400000000, 0.0000000000000000, -0.0027889100000000 ] - [ 0.0001487100000000, 0.0000810700000000, -0.0032247000000000 ] - [ 0.0000695100000000, 0.0000000000000000, -0.0026143900000000 ] - [ -0.0036731400000000, 0.0000000000000000, -0.0030206400000000 ] - [ -0.0088872700000000, 0.0053576700000000, 0.0003403900000000 ] - [ -0.0137375900000000, 0.0000000000000000, -0.0102623100000000 ] - [ 0.0014222000000000, 0.0000000000000000, -0.0009629000000000 ] - [ -0.0044687200000000, 0.0000000000000000, 0.0125777400000000 ] - [ -0.0088872700000000, -0.0053576700000000, 0.0003403900000000 ] - [ -0.0014589600000000, 0.0000000000000000, 0.0028827900000000 ] - [ 0.0080745500000000, 0.0098763700000000, -0.0092828000000000 ] - [ 0.0003116700000000, 0.0000000000000000, -0.0024174400000000 ] - [ 0.0000141100000000, 0.0000010900000000, -0.0017182100000000 ] - [ 0.0004990300000000, 0.0000000000000000, -0.0044827500000000 ] - [ 0.0080745500000000, -0.0098763700000000, -0.0092828000000000 ] - [ -0.0001701300000000, -0.0001241100000000, -0.0023788700000000 ] - [ 0.0025746600000000, 0.0000000000000000, -0.0011276100000000 ] - [ 0.0001980000000000, 0.0000000000000000, -0.0030509500000000 ] - [ 0.0001604600000000, 0.0000000000000000, -0.0026375300000000 ] - [ -0.0000554400000000, 0.0000000000000000, -0.0028453900000000 ] - [ 0.0000208400000000, 0.0000463100000000, -0.0025315800000000 ] - [ -0.0002431400000000, 0.0000000000000000, -0.0028718800000000 ] - [ 0.0000991600000000, -0.0000499500000000, -0.0024747200000000 ] - [ -0.0005805000000000, -0.0000980300000000, -0.0025477100000000 ] - [ -0.0002215400000000, 0.0000000000000000, -0.0025342800000000 ] - [ -0.0005805000000000, 0.0000980300000000, -0.0025477100000000 ] - [ -0.0000527800000000, 0.0000000000000000, -0.0025100100000000 ] - [ 0.0031025200000000, 0.0000000000000000, -0.0046603700000000 ] - [ 0.0076336200000000, -0.0012740900000000, 0.0031732700000000 ] - [ 0.0021550500000000, 0.0000000000000000, 0.0002952800000000 ] - [ -0.0004831100000000, 0.0000000000000000, -0.0025369200000000 ] - [ 0.0010682900000000, 0.0000000000000000, 0.0200024100000000 ] - [ 0.0076336200000000, 0.0012740900000000, 0.0031732700000000 ] - [ 0.0007726500000000, 0.0000000000000000, -0.0001559700000000 ] - [ -0.0022876100000000, 0.0002397400000000, 0.0009321000000000 ] - [ -0.0006761800000000, 0.0000000000000000, -0.0020513500000000 ] - [ -0.0001701300000000, 0.0001241100000000, -0.0023788700000000 ] - [ -0.0001299800000000, 0.0000000000000000, -0.0010625100000000 ] - [ -0.0022876100000000, -0.0002397400000000, 0.0009321000000000 ] - [ 0.0000141100000000, -0.0000010900000000, -0.0017182100000000 ] - [ -0.0021007500000000, 0.0000000000000000, -0.0021974000000000 ] - [ -0.0001203200000000, 0.0000000000000000, -0.0030049600000000 ] - [ 0.0006148300000000, 0.0000000000000000, -0.0095410600000000 ] - [ 0.0033375000000000, 0.0000000000000000, 0.0072603300000000 ] - [ 0.0007143400000000, 0.0000000000000000, -0.0014138100000000 ] - [ 0.0234564500000000, 0.0000000000000000, 0.0900011300000000 ] - [ -0.0001686000000000, 0.0000000000000000, -0.0005819400000000 ] - [ -0.0044929200000000, 0.0000000000000000, 0.0074019800000000 ] - [ -0.0004511000000000, 0.0000000000000000, -0.0010055000000000 ] - [ -0.0007391200000000, 0.0000000000000000, 0.0052204400000000 ] - [ 0.0001384600000000, 0.0003450400000000, 0.0016513400000000 ] - [ -0.0001214800000000, 0.0000000000000000, 0.0017187200000000 ] - [ 0.0001879200000000, -0.0003610800000000, 0.0017148800000000 ] - [ -0.0006666100000000, 0.0000000000000000, 0.0010659200000000 ] - [ 0.0001770500000000, -0.0002258200000000, 0.0014118200000000 ] - [ -0.0002421700000000, 0.0000000000000000, 0.0017484200000000 ] - [ -0.0001824900000000, 0.0000000000000000, 0.0020784100000000 ] - [ -0.0000696400000000, -0.0000867200000000, 0.0016283800000000 ] - [ -0.0008608200000000, 0.0000000000000000, 0.0020749300000000 ] - [ 0.0001770500000000, 0.0002258200000000, 0.0014118200000000 ] - [ -0.0003455600000000, 0.0000000000000000, 0.0016575000000000 ] - [ -0.0000696400000000, 0.0000867200000000, 0.0016283800000000 ] - [ -0.0039088900000000, -0.0034079600000000, 0.0028416100000000 ] - [ 0.0003262100000000, 0.0000000000000000, 0.0023884900000000 ] - [ -0.0000293100000000, 0.0000000000000000, 0.0021214100000000 ] - [ -0.0039088900000000, 0.0034079600000000, 0.0028416100000000 ] - [ 0.0009000800000000, 0.0002126100000000, 0.0018179300000000 ] - [ 0.0038899000000000, 0.0000000000000000, -0.0039938800000000 ] - [ 0.0063612900000000, 0.0000000000000000, 0.0040433900000000 ] - [ -0.0007631300000000, -0.0002427500000000, 0.0016095800000000 ] - [ -0.0042455000000000, 0.0021955700000000, -0.0041335800000000 ] - [ 0.0119503900000000, 0.0000000000000000, -0.0153974000000000 ] - [ -0.0009887100000000, 0.0000000000000000, -0.0022189700000000 ] - [ -0.0151830700000000, 0.0268602300000000, -0.0206094100000000 ] - [ 0.0017042800000000, 0.0000000000000000, 0.0003554000000000 ] - [ 0.0058424300000000, 0.0013521600000000, -0.0024946500000000 ] - [ -0.0151830700000000, -0.0268602300000000, -0.0206094100000000 ] - [ -0.0033702700000000, 0.0000000000000000, -0.0042506700000000 ] - [ -0.0001912800000000, 0.0001074200000000, 0.0023704100000000 ] - [ -0.0039335300000000, 0.0000000000000000, 0.0047343000000000 ] - [ -0.0014890800000000, 0.0000000000000000, -0.0284339000000000 ] - [ -0.0000588600000000, 0.0000000000000000, 0.0027344400000000 ] - [ 0.0020052100000000, -0.0024489900000000, 0.0052556400000000 ] - [ -0.0001912800000000, -0.0001074200000000, 0.0023704100000000 ] - [ 0.0003239600000000, 0.0000000000000000, 0.0027327600000000 ] - [ 0.0020052100000000, 0.0024489900000000, 0.0052556400000000 ] - [ -0.0003763800000000, 0.0000000000000000, 0.0020312100000000 ] - [ -0.0003218600000000, 0.0000000000000000, 0.0019038400000000 ] - [ 0.0003225400000000, -0.0002249600000000, 0.0021161300000000 ] - [ -0.0000636700000000, 0.0002265800000000, 0.0019934700000000 ] - [ 0.0001879200000000, 0.0003610800000000, 0.0017148800000000 ] - [ -0.0000261200000000, 0.0000000000000000, 0.0017799700000000 ] - [ 0.0001384600000000, -0.0003450400000000, 0.0016513400000000 ] - [ -0.0007242300000000, 0.0000000000000000, 0.0010742000000000 ] - [ 0.0000076600000000, -0.0002469600000000, 0.0011231000000000 ] - [ -0.0003371400000000, 0.0000000000000000, 0.0016967700000000 ] - [ -0.0002422500000000, 0.0000000000000000, 0.0020587300000000 ] - [ -0.0000580700000000, -0.0000777800000000, 0.0015650300000000 ] - [ -0.0003624700000000, 0.0000000000000000, 0.0008807100000000 ] - [ 0.0000076600000000, 0.0002469600000000, 0.0011231000000000 ] - [ -0.0000124900000000, 0.0000000000000000, 0.0014443300000000 ] - [ -0.0000580700000000, 0.0000777800000000, 0.0015650300000000 ] - [ 0.0017410800000000, 0.0005731600000000, -0.0008554300000000 ] - [ 0.0003026200000000, 0.0000000000000000, 0.0009260300000000 ] - [ 0.0001842700000000, 0.0000000000000000, 0.0019018600000000 ] - [ 0.0017410800000000, -0.0005731600000000, -0.0008554300000000 ] - [ -0.0007631300000000, 0.0002427500000000, 0.0016095800000000 ] - [ -0.0028978700000000, 0.0000000000000000, -0.0064404800000000 ] - [ -0.0025693900000000, 0.0000000000000000, -0.0016995200000000 ] - [ 0.0009000800000000, -0.0002126100000000, 0.0018179300000000 ] - [ 0.0058424300000000, -0.0013521600000000, -0.0024946500000000 ] - [ 0.0038641000000000, 0.0000000000000000, -0.0044846000000000 ] - [ 0.0019699300000000, 0.0000000000000000, -0.0005435800000000 ] - [ -0.0006386300000000, 0.0004796100000000, -0.0046205100000000 ] - [ -0.0014644700000000, 0.0000000000000000, 0.0006743400000000 ] - [ -0.0042455000000000, -0.0021955700000000, -0.0041335800000000 ] - [ -0.0006386300000000, -0.0004796100000000, -0.0046205100000000 ] - [ 0.0012233000000000, 0.0000000000000000, -0.0035371000000000 ] - [ 0.0002036800000000, 0.0001496900000000, 0.0015144600000000 ] - [ 0.0018256500000000, 0.0000000000000000, 0.0005685000000000 ] - [ 0.0004754300000000, 0.0000000000000000, -0.0025255300000000 ] - [ -0.0000248400000000, 0.0000000000000000, 0.0023643900000000 ] - [ -0.0005968000000000, 0.0003480200000000, 0.0004390600000000 ] - [ 0.0002036800000000, -0.0001496900000000, 0.0015144600000000 ] - [ -0.0001200700000000, 0.0000000000000000, 0.0018409400000000 ] - [ -0.0005968000000000, -0.0003480200000000, 0.0004390600000000 ] - [ -0.0003087900000000, 0.0000000000000000, 0.0017861300000000 ] - [ 0.0007145100000000, 0.0000000000000000, 0.0026397900000000 ] - [ -0.0000636700000000, -0.0002265800000000, 0.0019934700000000 ] - [ 0.0003225400000000, 0.0002249600000000, 0.0021161300000000 ]- atom: 57 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0546118200000000, 0.0500398800000000, 0.0208994200000000 ] - [ 0.0342905500000000, -0.0136528900000000, -0.0076955700000000 ] - [ 0.0588428200000000, 0.0001231800000000, 0.0243834200000000 ] - [ 0.0022147900000000, 0.0009414000000000, -0.0048318800000000 ] - [ -0.0116828200000000, 0.0008570400000000, 0.0043197400000000 ] - [ 0.0008974700000000, 0.0000941600000000, 0.0009024700000000 ] - [ -0.0015841700000000, 0.0032132700000000, 0.0044264000000000 ] - [ 0.0004900700000000, -0.0000790000000000, 0.0004957100000000 ] - [ 0.0093014000000000, -0.0036966500000000, 0.0036656400000000 ] - [ -0.0002921700000000, 0.0000227100000000, -0.0004087500000000 ] - [ 0.0000223400000000, -0.0000905800000000, -0.0005915700000000 ] - [ -0.0001013800000000, -0.0000100800000000, -0.0004390400000000 ] - [ 0.0008236100000000, 0.0000022200000000, -0.0006009900000000 ] - [ 0.0000497400000000, -0.0000003000000000, -0.0006425600000000 ] - [ 0.0000250300000000, 0.0000908100000000, -0.0005880000000000 ] - [ 0.0004222200000000, 0.0000017500000000, -0.0004539400000000 ] - [ -0.0000304000000000, 0.0000410800000000, -0.0000643800000000 ] - [ -0.0009590500000000, -0.0011614900000000, 0.0029702200000000 ] - [ 0.0043540600000000, -0.0001909000000000, -0.0005698300000000 ] - [ -0.0004218600000000, -0.0001105400000000, 0.0007968100000000 ] - [ -0.0000404400000000, -0.0000408800000000, -0.0000795800000000 ] - [ -0.0028967200000000, -0.0000763900000000, 0.0007700200000000 ] - [ 0.0005293600000000, 0.0000028100000000, 0.0004403800000000 ] - [ -0.0026924200000000, 0.0022005300000000, 0.0085309100000000 ] - [ -0.0094413900000000, 0.0005807800000000, 0.0028019300000000 ] - [ -0.0095665900000000, -0.0003095200000000, -0.0025167300000000 ] - [ -0.0065751700000000, -0.0010182600000000, 0.0066561200000000 ] - [ -0.0024351100000000, -0.0006127500000000, 0.0009759600000000 ] - [ 0.0041519900000000, -0.0003136400000000, -0.0020600900000000 ] - [ -0.0010915500000000, -0.0000654800000000, -0.0011544000000000 ] - [ -0.0024984000000000, -0.0003581800000000, -0.0032770600000000 ] - [ -0.0009417000000000, 0.0000593100000000, -0.0010319600000000 ] - [ -0.0050470800000000, -0.0001636000000000, -0.0012613600000000 ] - [ 0.0002431300000000, 0.0000089000000000, -0.0001284300000000 ] - [ 0.0001525700000000, -0.0000812900000000, -0.0005803500000000 ] - [ 0.0002159300000000, -0.0000004300000000, -0.0003973600000000 ] - [ -0.0001627700000000, -0.0000533600000000, -0.0000518100000000 ] - [ 0.0000092600000000, -0.0000001700000000, -0.0005653000000000 ] - [ 0.0001551700000000, 0.0000814500000000, -0.0005787900000000 ] - [ 0.0003194400000000, 0.0000016600000000, -0.0003056900000000 ] - [ 0.0001515900000000, 0.0000093100000000, -0.0003609000000000 ] - [ -0.0012763200000000, -0.0000830000000000, -0.0024421900000000 ] - [ -0.0031969000000000, 0.0000810900000000, 0.0006441900000000 ] - [ 0.0009724000000000, 0.0000661600000000, -0.0003090300000000 ] - [ 0.0001526700000000, -0.0000086500000000, -0.0003532600000000 ] - [ 0.0054199500000000, 0.0000787300000000, -0.0005090500000000 ] - [ -0.0001800800000000, 0.0000275700000000, -0.0000364200000000 ] - [ -0.0032859200000000, 0.0022468000000000, -0.0078813100000000 ] - [ -0.0001088000000000, -0.0000036000000000, -0.0001969000000000 ] - [ 0.0000655000000000, -0.0000032000000000, -0.0001469600000000 ] - [ 0.0002119400000000, 0.0001848900000000, 0.0013320700000000 ] - [ -0.0000317400000000, 0.0000038700000000, -0.0004048300000000 ] - [ -0.0000496600000000, -0.0000039600000000, -0.0005643100000000 ] - [ -0.0000095900000000, -0.0000027300000000, -0.0001535200000000 ] - [ -0.0001833600000000, -0.0000503400000000, -0.0004272800000000 ] - [ 0.0000107100000000, 0.0000033400000000, -0.0004609200000000 ] - [ -0.1912398700000000, -0.0416664600000000, -0.0478510900000000 ] - [ -0.0023436700000000, 0.0082480900000000, 0.0128567200000000 ] - [ 0.0061978500000000, -0.0001153800000000, 0.0003597800000000 ] - [ 0.0138486400000000, 0.0113860600000000, -0.0040350400000000 ] - [ 0.0009163300000000, 0.0004537000000000, -0.0027271600000000 ] - [ 0.0039355200000000, -0.0005480300000000, -0.0014825600000000 ] - [ 0.0135399400000000, -0.0092510400000000, -0.0016058100000000 ] - [ 0.0077972800000000, -0.0022569100000000, -0.0182730100000000 ] - [ -0.0006141700000000, -0.0000787200000000, -0.0006579300000000 ] - [ 0.0000697700000000, -0.0000264000000000, -0.0011754100000000 ] - [ -0.0024036000000000, -0.0005232300000000, -0.0008184300000000 ] - [ -0.0029177100000000, -0.0007391000000000, -0.0031567500000000 ] - [ -0.0000659900000000, 0.0000467700000000, 0.0000081600000000 ] - [ 0.0000728600000000, 0.0000472400000000, -0.0003431000000000 ] - [ -0.0009980700000000, 0.0004919000000000, -0.0003151500000000 ] - [ -0.0000652500000000, -0.0000467600000000, 0.0000131100000000 ] - [ 0.0003723900000000, -0.0002092200000000, 0.0001994000000000 ] - [ -0.0000385300000000, -0.0000004000000000, 0.0002372000000000 ] - [ -0.0001080800000000, -0.0000031800000000, -0.0002082200000000 ] - [ -0.0003882700000000, 0.0000776600000000, 0.0000564700000000 ] - [ -0.0000565200000000, -0.0000434700000000, 0.0002605700000000 ] - [ 0.0001161000000000, 0.0000002000000000, -0.0000890400000000 ] - [ 0.0000899200000000, 0.0000016500000000, -0.0000097900000000 ] - [ -0.0000682700000000, -0.0000323500000000, -0.0003754700000000 ] - [ 0.0001727900000000, 0.0000114900000000, 0.0005087900000000 ] - [ 0.0000138600000000, 0.0000450200000000, 0.0003592900000000 ] - [ -0.0000681200000000, 0.0000323200000000, -0.0003743500000000 ] - [ -0.0001606000000000, -0.0000015100000000, -0.0000816600000000 ] - [ 0.0008086600000000, 0.0002981900000000, -0.0008027100000000 ] - [ 0.0003517000000000, 0.0000139700000000, 0.0000609700000000 ] - [ 0.0001140600000000, 0.0000031700000000, -0.0000207200000000 ] - [ 0.0021657800000000, 0.0000800700000000, -0.0011059500000000 ] - [ 0.0002182900000000, 0.0001494800000000, 0.0005332200000000 ] - [ 0.0004281700000000, -0.0001810000000000, -0.0004141200000000 ] - [ 0.0011594100000000, 0.0000149600000000, 0.0009146000000000 ] - [ 0.0001955100000000, -0.0001479500000000, 0.0005779300000000 ] - [ 0.0024334300000000, -0.0001061200000000, -0.0012299100000000 ] - [ -0.0012139700000000, 0.0002868700000000, -0.0004582900000000 ] - [ 0.0018085800000000, -0.0002161800000000, 0.0023627900000000 ] - [ -0.0018634300000000, -0.0006147400000000, -0.0016998500000000 ] - [ 0.0084742000000000, 0.0001265400000000, 0.0005532300000000 ] - [ 0.0038212500000000, 0.0002516500000000, -0.0021275900000000 ] - [ -0.0106402500000000, -0.0009968200000000, -0.0015867700000000 ] - [ 0.0159010200000000, 0.0099781800000000, -0.0007412100000000 ] - [ 0.0007832200000000, -0.0003573900000000, 0.0020608400000000 ] - [ -0.0022725900000000, -0.0064828300000000, 0.0103099500000000 ] - [ 0.0145634900000000, -0.0092524200000000, -0.0001159100000000 ] - [ 0.0030178700000000, -0.0001237800000000, 0.0023863000000000 ] - [ -0.0002808500000000, 0.0000616800000000, 0.0003161900000000 ] - [ 0.0002379500000000, 0.0002608800000000, 0.0013239800000000 ] - [ 0.0015543200000000, 0.0000636300000000, 0.0003344500000000 ] - [ 0.0036850700000000, 0.0001664700000000, 0.0024750500000000 ] - [ 0.0000260100000000, 0.0000404100000000, 0.0001730000000000 ] - [ 0.0003194200000000, -0.0000336800000000, 0.0005465700000000 ] - [ 0.0012634000000000, -0.0000618600000000, 0.0005727300000000 ] - [ 0.0000192600000000, -0.0000424100000000, 0.0001801400000000 ] - [ -0.0004192500000000, -0.0000722300000000, 0.0000294100000000 ] - [ -0.0000627000000000, -0.0000002600000000, 0.0001974800000000 ] - [ -0.0002648800000000, -0.0000016300000000, -0.0001884300000000 ] - [ 0.0003248300000000, 0.0001949800000000, 0.0002610300000000 ] - [ 0.0000181100000000, -0.0000443900000000, 0.0003582800000000 ] - [ 0.0001448300000000, 0.0000003000000000, -0.0000818400000000 ] - [ 0.0002502400000000, 0.0000027200000000, -0.0000695900000000 ] - [ -0.0001086100000000, -0.0000340100000000, -0.0003302100000000 ] - [ 0.0000510400000000, -0.0000083700000000, 0.0001413900000000 ] - [ -0.0000560700000000, 0.0000442300000000, 0.0002614400000000 ] - [ -0.0001089600000000, 0.0000339700000000, -0.0003288700000000 ] - [ -0.0002296200000000, -0.0000003800000000, -0.0000027800000000 ] - [ -0.0000601000000000, 0.0001072200000000, 0.0018018000000000 ] - [ 0.0004646100000000, -0.0000207300000000, 0.0005797500000000 ] - [ 0.0000074000000000, 0.0000011900000000, 0.0000500700000000 ] - [ -0.0033527600000000, 0.0034407800000000, 0.0058011900000000 ] - [ -0.0002364400000000, 0.0002226100000000, 0.0006208900000000 ] - [ -0.0002424300000000, -0.0001484800000000, 0.0013677700000000 ] - [ -0.0015042700000000, -0.0002553900000000, 0.0005174600000000 ] - [ -0.0002136500000000, -0.0002216100000000, 0.0006305800000000 ] - [ -0.0026837600000000, -0.0018010500000000, 0.0043996000000000 ] - [ 0.0012061600000000, 0.0000070500000000, 0.0005967200000000 ] - [ -0.0000480400000000, 0.0010589900000000, -0.0056582200000000 ] - [ 0.0021148400000000, 0.0001928000000000, 0.0024975100000000 ]- atom: 57 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0544513200000000, -0.0515818400000000, -0.0209532600000000 ] - [ -0.0345057800000000, 0.0143670000000000, 0.0073910400000000 ] - [ -0.0546925200000000, 0.0000028600000000, -0.0218136900000000 ] - [ -0.0024450100000000, -0.0009454000000000, 0.0041590300000000 ] - [ 0.0118501700000000, -0.0009402700000000, -0.0044452900000000 ] - [ -0.0009389200000000, -0.0000854600000000, -0.0008859600000000 ] - [ 0.0013702100000000, -0.0032074400000000, -0.0042581200000000 ] - [ -0.0005325600000000, 0.0000705900000000, -0.0004795500000000 ] - [ -0.0095335000000000, 0.0036792200000000, -0.0035042400000000 ] - [ 0.0002879400000000, -0.0000224700000000, 0.0003624800000000 ] - [ 0.0001740400000000, -0.0000571300000000, -0.0001464700000000 ] - [ 0.0001928800000000, 0.0000102600000000, 0.0000232400000000 ] - [ -0.0002191800000000, -0.0000022200000000, 0.0003775700000000 ] - [ 0.0000067000000000, 0.0000003100000000, -0.0000146900000000 ] - [ 0.0001713600000000, 0.0000572100000000, -0.0001499900000000 ] - [ 0.0002876400000000, -0.0000016000000000, 0.0001257100000000 ] - [ 0.0001479400000000, 0.0000438900000000, 0.0000736100000000 ] - [ 0.0007253800000000, 0.0011607400000000, -0.0023739900000000 ] - [ -0.0045487500000000, 0.0004200400000000, 0.0015011600000000 ] - [ 0.0008359900000000, 0.0001107200000000, 0.0003012400000000 ] - [ 0.0001580000000000, -0.0000438200000000, 0.0000886500000000 ] - [ 0.0026755500000000, -0.0001572600000000, 0.0001900700000000 ] - [ -0.0001327000000000, -0.0000029100000000, 0.0003196600000000 ] - [ 0.0027633400000000, -0.0021911800000000, -0.0087269200000000 ] - [ 0.0097154400000000, -0.0005711800000000, -0.0021921300000000 ] - [ 0.0094265700000000, 0.0003045300000000, 0.0016993300000000 ] - [ 0.0067227200000000, 0.0010978100000000, -0.0067744900000000 ] - [ 0.0022034600000000, 0.0006124000000000, -0.0016996600000000 ] - [ -0.0038805300000000, 0.0002425200000000, 0.0019343700000000 ] - [ 0.0010624000000000, 0.0000745200000000, 0.0011695900000000 ] - [ 0.0023371300000000, 0.0003656300000000, 0.0034418900000000 ] - [ 0.0009103700000000, -0.0000680300000000, 0.0010457400000000 ] - [ 0.0048549000000000, 0.0001597500000000, 0.0013638600000000 ] - [ -0.0002490700000000, -0.0000087100000000, 0.0000832800000000 ] - [ 0.0000435300000000, -0.0000664600000000, -0.0001574300000000 ] - [ -0.0001215900000000, 0.0000002600000000, -0.0000197500000000 ] - [ 0.0007666100000000, 0.0000534100000000, -0.0001741800000000 ] - [ 0.0000474700000000, 0.0000004600000000, -0.0000919200000000 ] - [ 0.0000409100000000, 0.0000665700000000, -0.0001589700000000 ] - [ 0.0003899900000000, -0.0000014600000000, -0.0000224200000000 ] - [ -0.0000348400000000, 0.0000754300000000, 0.0003684000000000 ] - [ 0.0010024100000000, 0.0000880000000000, 0.0030333000000000 ] - [ 0.0029771600000000, 0.0001529300000000, 0.0003159200000000 ] - [ -0.0005561500000000, -0.0000650100000000, 0.0013977400000000 ] - [ -0.0000358500000000, -0.0000758000000000, 0.0003607300000000 ] - [ -0.0056189700000000, -0.0003082600000000, 0.0014244000000000 ] - [ 0.0005714200000000, -0.0000273100000000, 0.0007999600000000 ] - [ 0.0033310700000000, -0.0022699600000000, 0.0076759900000000 ] - [ -0.0000588700000000, -0.0000024900000000, -0.0002271100000000 ] - [ -0.0000075600000000, -0.0000035500000000, 0.0001815900000000 ] - [ 0.0000554600000000, -0.0001907200000000, -0.0003040600000000 ] - [ 0.0000102700000000, 0.0000034500000000, -0.0001154700000000 ] - [ -0.0001177900000000, -0.0000018400000000, 0.0001408700000000 ] - [ 0.0000670200000000, -0.0000040300000000, 0.0001882200000000 ] - [ 0.0004406400000000, 0.0000432100000000, 0.0014518100000000 ] - [ -0.0000323500000000, 0.0000036900000000, -0.0000598200000000 ] - [ 0.1874550300000000, 0.0425671200000000, 0.0453586000000000 ] - [ 0.0020498800000000, -0.0082613400000000, -0.0133899700000000 ] - [ -0.0062078900000000, 0.0000410900000000, -0.0001355400000000 ] - [ -0.0146926100000000, -0.0115512500000000, 0.0030363700000000 ] - [ -0.0011761500000000, -0.0006808000000000, 0.0020616600000000 ] - [ -0.0043168200000000, 0.0005448300000000, 0.0015224800000000 ] - [ -0.0141537900000000, 0.0093990400000000, 0.0014970900000000 ] - [ -0.0079719200000000, 0.0022758500000000, 0.0181038600000000 ] - [ -0.0002903400000000, 0.0000786000000000, -0.0000887200000000 ] - [ -0.0003283500000000, 0.0002538400000000, 0.0005095700000000 ] - [ 0.0022481900000000, 0.0005233400000000, 0.0003575900000000 ] - [ 0.0027770100000000, 0.0007221100000000, 0.0028361200000000 ] - [ 0.0000175000000000, 0.0000378000000000, -0.0001269600000000 ] - [ 0.0003233800000000, -0.0000470900000000, 0.0001737200000000 ] - [ 0.0015808300000000, -0.0004915100000000, 0.0005272200000000 ] - [ 0.0000167500000000, -0.0000376100000000, -0.0001314900000000 ] - [ -0.0004769600000000, -0.0000895400000000, -0.0001592900000000 ] - [ -0.0000652400000000, 0.0000004500000000, -0.0001130100000000 ] - [ -0.0002559900000000, 0.0000032800000000, -0.0004815000000000 ] - [ 0.0002842500000000, 0.0002214100000000, -0.0000183500000000 ] - [ 0.0000140100000000, -0.0000444000000000, 0.0000381800000000 ] - [ 0.0001476700000000, -0.0000001600000000, -0.0003978400000000 ] - [ 0.0002518700000000, -0.0000016600000000, -0.0004316800000000 ] - [ -0.0001092300000000, -0.0000306800000000, -0.0006425200000000 ] - [ 0.0000467900000000, -0.0000112400000000, -0.0001960400000000 ] - [ -0.0000568700000000, 0.0000439200000000, -0.0000606200000000 ] - [ -0.0001089500000000, 0.0000308300000000, -0.0006431500000000 ] - [ -0.0002254700000000, 0.0000014600000000, -0.0003186200000000 ] - [ -0.0007703400000000, 0.0000263800000000, 0.0012006300000000 ] - [ 0.0004605300000000, -0.0000135800000000, 0.0002280900000000 ] - [ 0.0000140200000000, -0.0000028800000000, -0.0002517000000000 ] - [ -0.0022532000000000, -0.0000805800000000, 0.0018372400000000 ] - [ -0.0002290900000000, 0.0002229300000000, 0.0003750900000000 ] - [ -0.0003907400000000, -0.0001435300000000, 0.0008127000000000 ] - [ -0.0010228000000000, -0.0000143700000000, 0.0001868800000000 ] - [ -0.0002066000000000, -0.0002242600000000, 0.0003304300000000 ] - [ -0.0023167000000000, 0.0001069800000000, 0.0018957300000000 ] - [ 0.0016118800000000, -0.0002856300000000, 0.0005372200000000 ] - [ -0.0019363100000000, 0.0004674300000000, -0.0014074500000000 ] - [ 0.0017078100000000, 0.0003645000000000, 0.0026595000000000 ] - [ -0.0084838600000000, -0.0000512700000000, -0.0003274300000000 ] - [ -0.0040222000000000, -0.0002487100000000, 0.0016296100000000 ] - [ 0.0106144100000000, 0.0009073700000000, 0.0018037800000000 ] - [ -0.0163932500000000, -0.0098073000000000, -0.0002543500000000 ] - [ -0.0010583700000000, 0.0001295300000000, -0.0027401500000000 ] - [ 0.0017850500000000, 0.0064830500000000, -0.0102971400000000 ] - [ -0.0147976000000000, 0.0090853400000000, 0.0000001500000000 ] - [ -0.0032060200000000, 0.0001389400000000, -0.0026835100000000 ] - [ -0.0006270700000000, -0.0000617200000000, -0.0010636500000000 ] - [ -0.0005115300000000, -0.0000322000000000, -0.0019990400000000 ] - [ -0.0017215200000000, -0.0000641400000000, -0.0007854500000000 ] - [ -0.0038568800000000, -0.0001817200000000, -0.0027737500000000 ] - [ -0.0000752600000000, 0.0000442600000000, -0.0002916000000000 ] - [ 0.0000735800000000, 0.0000340100000000, -0.0007164700000000 ] - [ -0.0006894200000000, 0.0000627200000000, -0.0003513000000000 ] - [ -0.0000684000000000, -0.0000419900000000, -0.0002985500000000 ] - [ 0.0003153800000000, -0.0002266400000000, 0.0000087100000000 ] - [ -0.0000409000000000, 0.0000005200000000, -0.0000735500000000 ] - [ -0.0000991900000000, 0.0000018400000000, -0.0005016600000000 ] - [ -0.0004295600000000, 0.0001039000000000, -0.0002208800000000 ] - [ -0.0000606200000000, -0.0000443600000000, -0.0000597500000000 ] - [ 0.0001187800000000, -0.0000000900000000, -0.0004047700000000 ] - [ 0.0000917100000000, -0.0000025200000000, -0.0003707500000000 ] - [ -0.0000689500000000, -0.0000291900000000, -0.0006877200000000 ] - [ 0.0001663100000000, 0.0000084500000000, 0.0001701200000000 ] - [ 0.0000125700000000, 0.0000447200000000, 0.0000364900000000 ] - [ -0.0000681200000000, 0.0000293100000000, -0.0006890000000000 ] - [ -0.0001554700000000, 0.0000003800000000, -0.0003971900000000 ] - [ 0.0001048200000000, 0.0002187200000000, -0.0013879600000000 ] - [ 0.0003506700000000, 0.0000207400000000, -0.0002878500000000 ] - [ 0.0001207600000000, -0.0000010000000000, -0.0003217800000000 ] - [ 0.0033097800000000, -0.0034253500000000, -0.0050111900000000 ] - [ 0.0002241800000000, 0.0001501100000000, 0.0002903200000000 ] - [ 0.0002867600000000, -0.0001773300000000, -0.0009586000000000 ] - [ 0.0016326300000000, 0.0002548300000000, 0.0005910100000000 ] - [ 0.0002014500000000, -0.0001505900000000, 0.0002804500000000 ] - [ 0.0028203800000000, 0.0017973900000000, -0.0037069500000000 ] - [ -0.0007988500000000, -0.0000075000000000, -0.0005228800000000 ] - [ -0.0001043300000000, -0.0008040100000000, 0.0065844700000000 ] - [ -0.0022471500000000, -0.0004431600000000, -0.0015426100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0516146300000000, 0.1029533300000000, 0.0378586800000000 ] - [ -0.0150050200000000, 0.0362869100000000, 0.0236435300000000 ] - [ -0.0028226800000000, 0.0204812800000000, 0.0034531300000000 ] - [ -0.0001949300000000, 0.0007038200000000, -0.0058823300000000 ] - [ 0.0006255000000000, 0.0043372500000000, 0.0016848100000000 ] - [ 0.0000357400000000, 0.0004029100000000, -0.0005769300000000 ] - [ 0.0006302600000000, -0.0005798800000000, -0.0001005700000000 ] - [ 0.0001467200000000, -0.0003982500000000, -0.0004731500000000 ] - [ -0.0033446500000000, 0.0004280900000000, 0.0037827800000000 ] - [ -0.0000220400000000, -0.0000062100000000, -0.0004534500000000 ] - [ 0.0000858000000000, -0.0000991200000000, -0.0007603800000000 ] - [ 0.0000171100000000, 0.0000034000000000, -0.0005642900000000 ] - [ 0.0002598100000000, 0.0000067800000000, -0.0005689300000000 ] - [ 0.0000175400000000, 0.0000011900000000, -0.0008429500000000 ] - [ 0.0000848900000000, 0.0000992200000000, -0.0007614400000000 ] - [ 0.0003758900000000, -0.0000000700000000, -0.0005591600000000 ] - [ 0.0000701600000000, 0.0000324800000000, -0.0003566100000000 ] - [ 0.0003878400000000, 0.0003036400000000, 0.0005922500000000 ] - [ 0.0005790000000000, -0.0030717800000000, -0.0003112300000000 ] - [ 0.0002579500000000, 0.0000314100000000, 0.0002629300000000 ] - [ 0.0000735700000000, -0.0000297400000000, -0.0003527700000000 ] - [ -0.0001503400000000, -0.0004070500000000, 0.0006264300000000 ] - [ 0.0003306500000000, -0.0000079700000000, 0.0000046500000000 ] - [ 0.0030159800000000, -0.0007424200000000, -0.0029422500000000 ] - [ -0.0018209600000000, 0.0002841100000000, 0.0021281600000000 ] - [ 0.0018534900000000, 0.0001905600000000, 0.0021667900000000 ] - [ -0.0001173400000000, -0.0044733000000000, 0.0012152300000000 ] - [ 0.0001731300000000, 0.0001589700000000, 0.0000153200000000 ] - [ 0.0001086200000000, -0.0115222500000000, 0.0029330600000000 ] - [ -0.0003435200000000, 0.0000967000000000, -0.0003819900000000 ] - [ 0.0020923400000000, 0.0002141000000000, 0.0021399200000000 ] - [ -0.0002616500000000, -0.0000668700000000, -0.0003352600000000 ] - [ -0.0007217600000000, -0.0000095900000000, -0.0000511100000000 ] - [ 0.0000200700000000, -0.0000040500000000, -0.0004858100000000 ] - [ 0.0000813500000000, -0.0000995300000000, -0.0007749900000000 ] - [ 0.0001312000000000, 0.0000053200000000, -0.0006505000000000 ] - [ 0.0003219700000000, 0.0000129800000000, -0.0004935000000000 ] - [ 0.0000384200000000, 0.0000012000000000, -0.0008286900000000 ] - [ 0.0000806200000000, 0.0000989300000000, -0.0007758300000000 ] - [ 0.0003910100000000, 0.0000000400000000, -0.0005556800000000 ] - [ 0.0000104300000000, 0.0000156400000000, -0.0004327300000000 ] - [ -0.0029111300000000, 0.0001743100000000, -0.0010918700000000 ] - [ -0.0001005900000000, 0.0004077100000000, 0.0006482900000000 ] - [ 0.0001110100000000, 0.0000529300000000, -0.0002725000000000 ] - [ 0.0000156900000000, -0.0000139400000000, -0.0004250500000000 ] - [ 0.0001459900000000, 0.0031738000000000, -0.0008311600000000 ] - [ 0.0000923000000000, -0.0000014000000000, 0.0000873600000000 ] - [ 0.0015220700000000, -0.0002401500000000, 0.0036653400000000 ] - [ -0.0000637200000000, -0.0000019300000000, -0.0005254600000000 ] - [ 0.0000406700000000, -0.0000034500000000, -0.0002965700000000 ] - [ 0.0003725400000000, -0.0000440800000000, 0.0002389600000000 ] - [ -0.0000093600000000, 0.0000041300000000, -0.0005706100000000 ] - [ -0.0000870000000000, -0.0000011600000000, -0.0005178900000000 ] - [ 0.0000181600000000, -0.0000036300000000, -0.0002858900000000 ] - [ 0.0000399500000000, -0.0000306300000000, 0.0005599800000000 ] - [ -0.0000114400000000, 0.0000040000000000, -0.0005863100000000 ] - [ -0.0393741000000000, -0.2242183700000000, -0.0770806300000000 ] - [ 0.0080977900000000, 0.0116588200000000, 0.0208160400000000 ] - [ 0.0000668500000000, -0.0013832600000000, -0.0002580800000000 ] - [ 0.0080324500000000, 0.0030264600000000, -0.0027678800000000 ] - [ -0.0005052300000000, -0.0002789900000000, 0.0000719800000000 ] - [ -0.0007705600000000, 0.0001062800000000, 0.0001702900000000 ] - [ -0.0087359400000000, 0.0036611400000000, -0.0008364600000000 ] - [ -0.0029401400000000, -0.0051082100000000, 0.0020649400000000 ] - [ -0.0005922900000000, 0.0000242000000000, 0.0000434000000000 ] - [ -0.0002972300000000, 0.0002343000000000, -0.0003148700000000 ] - [ -0.0009352800000000, 0.0000147100000000, 0.0007889100000000 ] - [ -0.0006958300000000, 0.0021079700000000, -0.0004433600000000 ] - [ -0.0000321800000000, 0.0000514700000000, 0.0002282200000000 ] - [ 0.0001961900000000, -0.0000108200000000, 0.0001261500000000 ] - [ 0.0006061800000000, -0.0001167600000000, -0.0000169100000000 ] - [ -0.0000317500000000, -0.0000506200000000, 0.0002258000000000 ] - [ -0.0000198900000000, -0.0001204500000000, 0.0002467200000000 ] - [ -0.0000520500000000, 0.0000005600000000, 0.0003481300000000 ] - [ -0.0001959800000000, 0.0000011200000000, -0.0000735600000000 ] - [ -0.0000170400000000, 0.0000816900000000, 0.0003179300000000 ] - [ -0.0000404000000000, -0.0000404100000000, 0.0004423800000000 ] - [ 0.0001335100000000, 0.0000000800000000, 0.0000471200000000 ] - [ 0.0001826900000000, -0.0000003600000000, 0.0001211400000000 ] - [ -0.0000933500000000, -0.0000324900000000, -0.0002242200000000 ] - [ 0.0001798700000000, 0.0000078500000000, 0.0004825300000000 ] - [ -0.0000010900000000, 0.0000414200000000, 0.0004455800000000 ] - [ -0.0000929600000000, 0.0000329700000000, -0.0002244900000000 ] - [ -0.0002068400000000, 0.0000004500000000, 0.0000794500000000 ] - [ -0.0002145700000000, 0.0000878400000000, 0.0003869000000000 ] - [ 0.0003579500000000, -0.0000027100000000, 0.0003617600000000 ] - [ 0.0000622100000000, -0.0000003200000000, 0.0001186100000000 ] - [ 0.0000952500000000, -0.0000493600000000, -0.0005683500000000 ] - [ 0.0000030100000000, 0.0001696000000000, 0.0006686200000000 ] - [ -0.0001153000000000, -0.0001079200000000, 0.0002821400000000 ] - [ 0.0001461300000000, -0.0000062400000000, 0.0005442900000000 ] - [ 0.0000102600000000, -0.0001694700000000, 0.0006578100000000 ] - [ -0.0003202500000000, 0.0000223400000000, 0.0005653800000000 ] - [ 0.0004474600000000, -0.0000771800000000, 0.0001288100000000 ] - [ 0.0003236900000000, 0.0010402800000000, 0.0000759000000000 ] - [ -0.0005622200000000, 0.0009539200000000, 0.0006416300000000 ] - [ 0.0000773700000000, 0.0018455500000000, -0.0002296900000000 ] - [ 0.0002103900000000, -0.0001399200000000, -0.0016271700000000 ] - [ 0.0009520600000000, 0.0426533200000000, -0.0047139200000000 ] - [ 0.0106842900000000, 0.0041732600000000, -0.0021511700000000 ] - [ 0.0005221800000000, 0.0013601000000000, 0.0001638200000000 ] - [ -0.0058841500000000, 0.0048890200000000, -0.0123774800000000 ] - [ -0.0104020800000000, 0.0037858300000000, -0.0017995000000000 ] - [ -0.0000346200000000, 0.0019720200000000, -0.0007775500000000 ] - [ -0.0003634900000000, 0.0000320300000000, -0.0000053100000000 ] - [ 0.0003410100000000, -0.0009647700000000, -0.0000348300000000 ] - [ 0.0000838600000000, 0.0000005500000000, -0.0002871500000000 ] - [ 0.0000441300000000, -0.0016890100000000, -0.0007074600000000 ] - [ -0.0000196400000000, 0.0000497200000000, 0.0002181700000000 ] - [ 0.0002213500000000, -0.0000009700000000, 0.0001490500000000 ] - [ 0.0003275300000000, 0.0000031200000000, 0.0001764400000000 ] - [ -0.0000185700000000, -0.0000482200000000, 0.0002148900000000 ] - [ -0.0000165100000000, -0.0000821200000000, 0.0003297500000000 ] - [ -0.0000483800000000, 0.0000005800000000, 0.0003510400000000 ] - [ -0.0001829600000000, 0.0000009300000000, -0.0000560300000000 ] - [ -0.0000101300000000, 0.0001255600000000, 0.0002328800000000 ] - [ -0.0000011800000000, -0.0000410100000000, 0.0004477600000000 ] - [ 0.0001278500000000, 0.0000005400000000, 0.0000440100000000 ] - [ 0.0001710100000000, -0.0000003300000000, 0.0000991500000000 ] - [ -0.0000841900000000, -0.0000329100000000, -0.0002136900000000 ] - [ 0.0000414200000000, 0.0000019500000000, 0.0004462100000000 ] - [ -0.0000399200000000, 0.0000410000000000, 0.0004403900000000 ] - [ -0.0000836900000000, 0.0000334200000000, -0.0002141600000000 ] - [ -0.0001837500000000, 0.0000006800000000, 0.0001112500000000 ] - [ 0.0003353700000000, 0.0010501800000000, 0.0010768500000000 ] - [ 0.0004582900000000, -0.0000074200000000, 0.0004458500000000 ] - [ 0.0000702800000000, -0.0000009500000000, 0.0001650700000000 ] - [ 0.0032957700000000, 0.0029567500000000, 0.0081479500000000 ] - [ -0.0000263900000000, 0.0002011200000000, 0.0008196400000000 ] - [ 0.0002808400000000, -0.0008387100000000, 0.0008502700000000 ] - [ -0.0003801600000000, 0.0000162900000000, 0.0014196800000000 ] - [ -0.0000186200000000, -0.0002044300000000, 0.0008021600000000 ] - [ -0.0003594300000000, 0.0011583400000000, -0.0032845800000000 ] - [ 0.0002517700000000, 0.0000005000000000, 0.0001040400000000 ] - [ -0.0009928200000000, -0.0019870400000000, 0.0013994200000000 ] - [ 0.0002729200000000, -0.0009747900000000, 0.0001024200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0549957500000000, -0.1080099200000000, -0.0397810300000000 ] - [ 0.0132985300000000, -0.0339240200000000, -0.0225683900000000 ] - [ 0.0026713400000000, -0.0203532300000000, -0.0036982500000000 ] - [ -0.0000291600000000, -0.0007037600000000, 0.0051765900000000 ] - [ -0.0004787500000000, -0.0044233400000000, -0.0018012200000000 ] - [ -0.0000706000000000, -0.0003921600000000, 0.0005977700000000 ] - [ -0.0008332700000000, 0.0006161500000000, 0.0002721400000000 ] - [ -0.0001865900000000, 0.0003889400000000, 0.0004894000000000 ] - [ 0.0031374000000000, -0.0004760200000000, -0.0036822700000000 ] - [ 0.0000165200000000, 0.0000071800000000, 0.0004098600000000 ] - [ 0.0001105800000000, -0.0000479700000000, 0.0000242200000000 ] - [ 0.0000764600000000, -0.0000025500000000, 0.0001492700000000 ] - [ 0.0003457000000000, -0.0000063800000000, 0.0003464200000000 ] - [ 0.0000391000000000, -0.0000006600000000, 0.0001887000000000 ] - [ 0.0001115300000000, 0.0000491700000000, 0.0000253800000000 ] - [ 0.0003333100000000, 0.0000007400000000, 0.0002329400000000 ] - [ 0.0000469700000000, 0.0000529100000000, 0.0003659400000000 ] - [ -0.0006309300000000, -0.0002869300000000, -0.0000085600000000 ] - [ -0.0008020100000000, 0.0033154300000000, 0.0012827800000000 ] - [ 0.0001574000000000, -0.0000291000000000, 0.0008307300000000 ] - [ 0.0000437300000000, -0.0000543800000000, 0.0003621200000000 ] - [ -0.0000611700000000, 0.0001732300000000, 0.0003216400000000 ] - [ 0.0000619300000000, 0.0000082600000000, 0.0007575200000000 ] - [ -0.0029770200000000, 0.0007166300000000, 0.0026859400000000 ] - [ 0.0021320100000000, -0.0002865100000000, -0.0015463000000000 ] - [ -0.0019645800000000, -0.0001866900000000, -0.0029531200000000 ] - [ 0.0003012900000000, 0.0045565400000000, -0.0013017100000000 ] - [ -0.0004047700000000, -0.0001652900000000, -0.0007308200000000 ] - [ -0.0000506800000000, 0.0114395600000000, -0.0030770300000000 ] - [ 0.0003070800000000, -0.0000869100000000, 0.0003992200000000 ] - [ -0.0022795700000000, -0.0002091700000000, -0.0019622600000000 ] - [ 0.0002229400000000, 0.0000585100000000, 0.0003514200000000 ] - [ 0.0005259300000000, 0.0000107300000000, 0.0001725900000000 ] - [ -0.0000252000000000, 0.0000048800000000, 0.0004426300000000 ] - [ 0.0001152300000000, -0.0000475400000000, 0.0000389100000000 ] - [ -0.0000390600000000, -0.0000049100000000, 0.0002358100000000 ] - [ 0.0002826300000000, -0.0000129300000000, 0.0002712300000000 ] - [ 0.0000180600000000, -0.0000004300000000, 0.0001739900000000 ] - [ 0.0001159300000000, 0.0000494300000000, 0.0000397800000000 ] - [ 0.0003182300000000, 0.0000006500000000, 0.0002296100000000 ] - [ 0.0001064800000000, 0.0000698900000000, 0.0004433600000000 ] - [ 0.0026824400000000, -0.0001715400000000, 0.0016909600000000 ] - [ -0.0001079200000000, -0.0001726700000000, 0.0003010700000000 ] - [ 0.0003010700000000, -0.0000512700000000, 0.0013717700000000 ] - [ 0.0001014200000000, -0.0000702900000000, 0.0004356800000000 ] - [ -0.0003879200000000, -0.0034187600000000, 0.0017722100000000 ] - [ 0.0003034800000000, 0.0000019000000000, 0.0006752700000000 ] - [ -0.0014412900000000, 0.0002402700000000, -0.0039059900000000 ] - [ -0.0001044200000000, -0.0000035600000000, 0.0001039300000000 ] - [ 0.0000168100000000, -0.0000027800000000, 0.0003328500000000 ] - [ -0.0001100400000000, 0.0000356400000000, 0.0007846200000000 ] - [ -0.0000118700000000, 0.0000036900000000, 0.0000518900000000 ] - [ -0.0000810400000000, -0.0000042300000000, 0.0000957400000000 ] - [ 0.0000397300000000, -0.0000026200000000, 0.0003222100000000 ] - [ 0.0002261200000000, 0.0000242200000000, 0.0004684900000000 ] - [ -0.0000102200000000, 0.0000035800000000, 0.0000675400000000 ] - [ 0.0448658200000000, 0.2268577500000000, 0.0780190100000000 ] - [ -0.0082175100000000, -0.0116615800000000, -0.0211036600000000 ] - [ -0.0000903800000000, 0.0013102100000000, 0.0004806700000000 ] - [ -0.0087950400000000, -0.0030032000000000, 0.0017589200000000 ] - [ 0.0002519400000000, 0.0000562700000000, -0.0007545400000000 ] - [ 0.0003849300000000, -0.0001136600000000, -0.0001400400000000 ] - [ 0.0082282400000000, -0.0036715300000000, 0.0007217600000000 ] - [ 0.0028828700000000, 0.0050934400000000, -0.0024939200000000 ] - [ -0.0003082500000000, -0.0000245300000000, -0.0007902200000000 ] - [ 0.0000349200000000, -0.0000056000000000, -0.0003505400000000 ] - [ 0.0007671300000000, -0.0000190800000000, -0.0012469200000000 ] - [ 0.0005118000000000, -0.0021235200000000, 0.0001461700000000 ] - [ -0.0000163200000000, 0.0000337100000000, -0.0003469200000000 ] - [ 0.0001989100000000, 0.0000119400000000, -0.0002957900000000 ] - [ -0.0000279700000000, 0.0001218900000000, 0.0002284200000000 ] - [ -0.0000167300000000, -0.0000334100000000, -0.0003440200000000 ] - [ -0.0000850500000000, -0.0001776400000000, -0.0002061100000000 ] - [ -0.0000516300000000, 0.0000000100000000, -0.0002243800000000 ] - [ -0.0001684700000000, -0.0000005400000000, -0.0006154900000000 ] - [ -0.0000888700000000, 0.0002171900000000, -0.0002771400000000 ] - [ -0.0000003900000000, -0.0000455100000000, -0.0001432200000000 ] - [ 0.0001316500000000, 0.0000004900000000, -0.0005351800000000 ] - [ 0.0001587900000000, 0.0000009000000000, -0.0005633000000000 ] - [ -0.0000849200000000, -0.0000287300000000, -0.0007947500000000 ] - [ 0.0000379000000000, -0.0000071000000000, -0.0001752700000000 ] - [ -0.0000413300000000, 0.0000464200000000, -0.0001468700000000 ] - [ -0.0000849100000000, 0.0000293800000000, -0.0007940500000000 ] - [ -0.0001812100000000, 0.0000000200000000, -0.0004788100000000 ] - [ 0.0002510600000000, 0.0002369400000000, 0.0000205200000000 ] - [ 0.0004565900000000, 0.0000033500000000, -0.0000722600000000 ] - [ 0.0000657100000000, 0.0000010700000000, -0.0003911800000000 ] - [ -0.0001876200000000, 0.0000485300000000, 0.0013169600000000 ] - [ -0.0000154400000000, 0.0002040400000000, 0.0002405300000000 ] - [ 0.0001571300000000, -0.0002175700000000, 0.0001197100000000 ] - [ -0.0000156200000000, 0.0000064500000000, 0.0005611300000000 ] - [ -0.0000225100000000, -0.0002029400000000, 0.0002507400000000 ] - [ 0.0004295900000000, -0.0000195300000000, 0.0001141000000000 ] - [ -0.0000393800000000, 0.0000749300000000, -0.0000498800000000 ] - [ -0.0004697600000000, -0.0007925300000000, 0.0008863600000000 ] - [ 0.0004368500000000, -0.0012065600000000, 0.0003160100000000 ] - [ -0.0001011300000000, -0.0017701900000000, 0.0004512700000000 ] - [ -0.0004171600000000, 0.0001448800000000, 0.0011181400000000 ] - [ -0.0009548700000000, -0.0427170400000000, 0.0049624300000000 ] - [ -0.0113134900000000, -0.0042102200000000, 0.0011267500000000 ] - [ -0.0007842200000000, -0.0015808600000000, -0.0008341800000000 ] - [ 0.0055273500000000, -0.0048237200000000, 0.0124564100000000 ] - [ 0.0100256200000000, -0.0037472100000000, 0.0016919400000000 ] - [ -0.0001409200000000, -0.0019551300000000, 0.0004476100000000 ] - [ -0.0005368200000000, -0.0000314000000000, -0.0007410900000000 ] - [ -0.0006011800000000, 0.0011890500000000, -0.0006330600000000 ] - [ -0.0002482000000000, 0.0000006900000000, -0.0001708500000000 ] - [ -0.0002235000000000, 0.0016731600000000, 0.0003762000000000 ] - [ -0.0000289500000000, 0.0000354800000000, -0.0003366800000000 ] - [ 0.0001735000000000, 0.0000017700000000, -0.0003174400000000 ] - [ 0.0002497100000000, -0.0000026500000000, 0.0000387600000000 ] - [ -0.0000299400000000, -0.0000357600000000, -0.0003330900000000 ] - [ -0.0000894800000000, -0.0002155500000000, -0.0002893700000000 ] - [ -0.0000554400000000, 0.0000001700000000, -0.0002274800000000 ] - [ -0.0001815200000000, -0.0000002200000000, -0.0006330200000000 ] - [ -0.0000954400000000, 0.0001735300000000, -0.0001916700000000 ] - [ -0.0000408400000000, -0.0000456700000000, -0.0001492100000000 ] - [ 0.0001375900000000, 0.0000005800000000, -0.0005316700000000 ] - [ 0.0001706000000000, 0.0000010300000000, -0.0005407300000000 ] - [ -0.0000941300000000, -0.0000284400000000, -0.0008054600000000 ] - [ 0.0001775000000000, -0.0000012200000000, -0.0001375000000000 ] - [ -0.0000017900000000, 0.0000469100000000, -0.0001419400000000 ] - [ -0.0000941600000000, 0.0000290400000000, -0.0008048200000000 ] - [ -0.0002035800000000, -0.0000001200000000, -0.0005113300000000 ] - [ -0.0002956300000000, -0.0007264800000000, -0.0006809000000000 ] - [ 0.0003553800000000, 0.0000079600000000, -0.0001577300000000 ] - [ 0.0000579000000000, 0.0000016000000000, -0.0004383100000000 ] - [ -0.0034131700000000, -0.0029419900000000, -0.0074766700000000 ] - [ 0.0000154000000000, 0.0001723500000000, 0.0000885700000000 ] - [ -0.0002417500000000, 0.0005157200000000, -0.0004571800000000 ] - [ 0.0005199600000000, -0.0000131000000000, -0.0003167100000000 ] - [ 0.0000075400000000, -0.0001675800000000, 0.0001055300000000 ] - [ 0.0004735700000000, -0.0011679600000000, 0.0039366600000000 ] - [ 0.0001485200000000, 0.0000001200000000, -0.0000265200000000 ] - [ 0.0008410400000000, 0.0022404500000000, -0.0003962500000000 ] - [ -0.0004198800000000, 0.0007282800000000, 0.0008587700000000 ]- atom: 57 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0266359300000000, 0.0389125700000000, 0.0355762400000000 ] - [ -0.0029851400000000, 0.0186859000000000, 0.0371397000000000 ] - [ 0.0341729400000000, 0.0039864400000000, 0.0426415900000000 ] - [ 0.0003140000000000, 0.0013218700000000, -0.0079331800000000 ] - [ 0.0007005500000000, 0.0008042000000000, 0.0095066200000000 ] - [ 0.0004537600000000, 0.0000935000000000, -0.0024911900000000 ] - [ 0.0024103700000000, -0.0028521800000000, -0.0008648100000000 ] - [ 0.0008549200000000, -0.0000961200000000, -0.0021357100000000 ] - [ 0.0055587200000000, 0.0038760700000000, -0.0025545800000000 ] - [ -0.0002606100000000, -0.0000238300000000, -0.0022706000000000 ] - [ 0.0000124300000000, -0.0001836000000000, -0.0023379000000000 ] - [ -0.0000289200000000, 0.0000155800000000, -0.0020310000000000 ] - [ 0.0003793900000000, 0.0000400600000000, -0.0024388900000000 ] - [ -0.0000048200000000, 0.0000021200000000, -0.0029046100000000 ] - [ 0.0000089000000000, 0.0001838800000000, -0.0023395300000000 ] - [ 0.0004688600000000, -0.0000029500000000, -0.0021725000000000 ] - [ 0.0000675900000000, -0.0000965900000000, -0.0018301300000000 ] - [ 0.0026233000000000, 0.0017362400000000, -0.0000419400000000 ] - [ 0.0041727100000000, -0.0011603500000000, -0.0028199000000000 ] - [ 0.0002790200000000, 0.0001676700000000, -0.0010016700000000 ] - [ 0.0000841500000000, 0.0000967800000000, -0.0018082700000000 ] - [ -0.0011910200000000, -0.0002965400000000, 0.0010363300000000 ] - [ 0.0006541700000000, -0.0000292500000000, -0.0020367000000000 ] - [ 0.0052796800000000, -0.0025843000000000, 0.0049970000000000 ] - [ -0.0016343200000000, 0.0001907400000000, 0.0054094300000000 ] - [ -0.0018006800000000, 0.0000442000000000, 0.0049846900000000 ] - [ -0.0009061400000000, -0.0005478300000000, 0.0073718200000000 ] - [ 0.0002976700000000, 0.0005419500000000, 0.0007029700000000 ] - [ -0.0025022000000000, -0.0023715000000000, 0.0129387900000000 ] - [ -0.0016930300000000, 0.0000031600000000, -0.0022985700000000 ] - [ -0.0057783300000000, -0.0010137600000000, -0.0020177800000000 ] - [ -0.0012709800000000, -0.0000058800000000, -0.0020499700000000 ] - [ -0.0023961000000000, 0.0000411100000000, 0.0011685600000000 ] - [ 0.0000741900000000, -0.0000237200000000, -0.0024265300000000 ] - [ 0.0000357300000000, -0.0001858200000000, -0.0023990400000000 ] - [ 0.0004679000000000, 0.0000200900000000, -0.0023191800000000 ] - [ 0.0003782600000000, 0.0000465000000000, -0.0019833100000000 ] - [ 0.0000647900000000, 0.0000023800000000, -0.0028362100000000 ] - [ 0.0000326400000000, 0.0001861500000000, -0.0024024100000000 ] - [ 0.0005114000000000, -0.0000027300000000, -0.0021237400000000 ] - [ -0.0001293400000000, -0.0001381500000000, -0.0021538000000000 ] - [ -0.0056329200000000, 0.0003064000000000, -0.0019619000000000 ] - [ -0.0010393000000000, 0.0002908100000000, 0.0010857100000000 ] - [ 0.0003920100000000, 0.0002336700000000, -0.0027852600000000 ] - [ -0.0001045500000000, 0.0001388400000000, -0.0021184700000000 ] - [ 0.0018918800000000, 0.0010312900000000, -0.0081264400000000 ] - [ -0.0002932900000000, -0.0000044400000000, -0.0012250200000000 ] - [ -0.0066608400000000, 0.0022521000000000, 0.0023023600000000 ] - [ 0.0000228700000000, 0.0000003300000000, -0.0016569700000000 ] - [ 0.0000756500000000, -0.0000056100000000, -0.0015514100000000 ] - [ 0.0010153200000000, -0.0002873000000000, -0.0007796700000000 ] - [ -0.0000092400000000, 0.0000041500000000, -0.0018244000000000 ] - [ -0.0000909500000000, 0.0000026600000000, -0.0017523800000000 ] - [ -0.0000193800000000, -0.0000055500000000, -0.0015137200000000 ] - [ -0.0010411800000000, -0.0001483700000000, -0.0011792000000000 ] - [ -0.0000096500000000, 0.0000038800000000, -0.0018948300000000 ] - [ -0.0738231200000000, -0.0826670200000000, -0.1464419200000000 ] - [ 0.0098130600000000, 0.0190593400000000, 0.0191445800000000 ] - [ 0.0011261800000000, 0.0003167500000000, -0.0026640000000000 ] - [ 0.0054072800000000, 0.0034216100000000, -0.0083188100000000 ] - [ -0.0013849100000000, -0.0005231700000000, 0.0008449700000000 ] - [ -0.0009006300000000, 0.0007673500000000, -0.0026651000000000 ] - [ 0.0045208200000000, -0.0029769900000000, -0.0078368100000000 ] - [ -0.0162128800000000, 0.0021040900000000, 0.0080633000000000 ] - [ -0.0008345100000000, 0.0000715900000000, 0.0009720500000000 ] - [ -0.0006938900000000, 0.0001585800000000, -0.0004951200000000 ] - [ -0.0016020700000000, 0.0002253900000000, 0.0017066300000000 ] - [ -0.0027249600000000, 0.0008479800000000, -0.0036960900000000 ] - [ -0.0000704400000000, 0.0000651600000000, 0.0013540000000000 ] - [ -0.0001090000000000, -0.0000407700000000, 0.0012814300000000 ] - [ -0.0007603400000000, -0.0002854900000000, 0.0020669000000000 ] - [ -0.0000678700000000, -0.0000633400000000, 0.0013427900000000 ] - [ 0.0002180400000000, -0.0000373200000000, 0.0011949300000000 ] - [ -0.0000419600000000, 0.0000014300000000, 0.0014895400000000 ] - [ -0.0002041000000000, 0.0000029900000000, 0.0009828000000000 ] - [ 0.0000479400000000, -0.0000011800000000, 0.0014570800000000 ] - [ -0.0001020300000000, -0.0000446500000000, 0.0016039100000000 ] - [ 0.0001249500000000, -0.0000007500000000, 0.0012157400000000 ] - [ 0.0002009900000000, -0.0000022400000000, 0.0015198600000000 ] - [ -0.0000996400000000, -0.0000450000000000, 0.0009177300000000 ] - [ 0.0003525000000000, 0.0000272500000000, 0.0017406500000000 ] - [ 0.0000580800000000, 0.0000426600000000, 0.0016311200000000 ] - [ -0.0000985100000000, 0.0000451900000000, 0.0009158900000000 ] - [ -0.0002278500000000, 0.0000012800000000, 0.0011926300000000 ] - [ -0.0010122400000000, 0.0000498700000000, 0.0010711200000000 ] - [ 0.0000684400000000, -0.0000207300000000, 0.0013920200000000 ] - [ 0.0000481800000000, -0.0000031700000000, 0.0011877500000000 ] - [ -0.0001429400000000, -0.0002227400000000, -0.0019893300000000 ] - [ 0.0000624800000000, 0.0001153700000000, 0.0016057500000000 ] - [ -0.0004231500000000, -0.0002275500000000, 0.0004668900000000 ] - [ 0.0005152700000000, -0.0000787300000000, 0.0009717100000000 ] - [ 0.0001045000000000, -0.0001168400000000, 0.0015486800000000 ] - [ -0.0000268200000000, 0.0002918600000000, -0.0010294400000000 ] - [ -0.0007103100000000, -0.0002651500000000, 0.0019498500000000 ] - [ 0.0022098800000000, 0.0004973300000000, -0.0001785400000000 ] - [ -0.0025162600000000, -0.0000013200000000, -0.0007686400000000 ] - [ 0.0016420600000000, -0.0002861800000000, -0.0026496400000000 ] - [ 0.0001987300000000, -0.0004528200000000, -0.0037502400000000 ] - [ -0.0032046900000000, 0.0046000600000000, -0.0107403500000000 ] - [ 0.0034700100000000, 0.0010498900000000, -0.0068490600000000 ] - [ 0.0023338200000000, -0.0000165500000000, 0.0031065500000000 ] - [ 0.0088693900000000, -0.0121434300000000, 0.0121810500000000 ] - [ -0.0011360900000000, 0.0000491200000000, -0.0077283200000000 ] - [ 0.0032482300000000, 0.0001116400000000, -0.0025525400000000 ] - [ -0.0001927100000000, 0.0001056600000000, 0.0012000900000000 ] - [ 0.0014690200000000, -0.0001064200000000, 0.0017137400000000 ] - [ 0.0008538200000000, 0.0000049300000000, 0.0000353400000000 ] - [ 0.0030877300000000, -0.0000784400000000, -0.0019026000000000 ] - [ 0.0000164800000000, 0.0000571500000000, 0.0013543200000000 ] - [ 0.0004536400000000, -0.0000523300000000, 0.0015011200000000 ] - [ 0.0010509000000000, -0.0000530900000000, 0.0005387600000000 ] - [ 0.0000186300000000, -0.0000550000000000, 0.0013400900000000 ] - [ 0.0000384400000000, 0.0000066100000000, 0.0015127900000000 ] - [ -0.0000403400000000, 0.0000012900000000, 0.0014942100000000 ] - [ -0.0002053800000000, 0.0000032700000000, 0.0010745000000000 ] - [ 0.0002532100000000, 0.0000523900000000, 0.0011495700000000 ] - [ 0.0000563200000000, -0.0000449300000000, 0.0016426400000000 ] - [ 0.0001133200000000, -0.0000003000000000, 0.0012052100000000 ] - [ 0.0001753200000000, -0.0000019400000000, 0.0014139700000000 ] - [ -0.0000721900000000, -0.0000460600000000, 0.0009701400000000 ] - [ -0.0001113000000000, 0.0000108600000000, 0.0015085300000000 ] - [ -0.0000981600000000, 0.0000430200000000, 0.0015947000000000 ] - [ -0.0000708800000000, 0.0000462200000000, 0.0009679800000000 ] - [ -0.0001626900000000, 0.0000020300000000, 0.0013310500000000 ] - [ 0.0012188500000000, 0.0004107800000000, 0.0036943700000000 ] - [ 0.0006512300000000, -0.0000502200000000, 0.0017762700000000 ] - [ 0.0000755900000000, -0.0000049200000000, 0.0013706700000000 ] - [ 0.0044774200000000, 0.0087580700000000, 0.0118203400000000 ] - [ -0.0000911300000000, 0.0001425500000000, 0.0021668000000000 ] - [ 0.0008262500000000, -0.0004359900000000, 0.0025548300000000 ] - [ -0.0009123900000000, 0.0001756200000000, 0.0027222500000000 ] - [ -0.0000584400000000, -0.0001503500000000, 0.0020893000000000 ] - [ 0.0017492700000000, -0.0043322500000000, 0.0058066900000000 ] - [ 0.0008978900000000, 0.0000306400000000, 0.0006315400000000 ] - [ -0.0062335600000000, -0.0005806200000000, 0.0043284700000000 ] - [ 0.0023474800000000, -0.0004557900000000, 0.0001578800000000 ]- atom: 57 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0268180000000000, -0.0398643600000000, -0.0348440200000000 ] - [ 0.0024118000000000, -0.0178977600000000, -0.0376708700000000 ] - [ -0.0318843200000000, -0.0038446900000000, -0.0419063900000000 ] - [ -0.0005347500000000, -0.0013106900000000, 0.0071993000000000 ] - [ -0.0005670500000000, -0.0008782500000000, -0.0095505200000000 ] - [ -0.0004878100000000, -0.0000832000000000, 0.0025107600000000 ] - [ -0.0026109000000000, 0.0028526400000000, 0.0010463000000000 ] - [ -0.0008890100000000, 0.0000863600000000, 0.0021550000000000 ] - [ -0.0057221300000000, -0.0038752000000000, 0.0027014700000000 ] - [ 0.0002542400000000, 0.0000241200000000, 0.0022269800000000 ] - [ 0.0001837300000000, 0.0000361400000000, 0.0016018600000000 ] - [ 0.0001235200000000, -0.0000153500000000, 0.0016150100000000 ] - [ 0.0002267900000000, -0.0000396100000000, 0.0022149000000000 ] - [ 0.0000616400000000, -0.0000020200000000, 0.0022502200000000 ] - [ 0.0001872500000000, -0.0000358700000000, 0.0016035100000000 ] - [ 0.0002403300000000, 0.0000031800000000, 0.0018461300000000 ] - [ 0.0000489500000000, 0.0001814700000000, 0.0018390900000000 ] - [ -0.0028766600000000, -0.0017435800000000, 0.0006197400000000 ] - [ -0.0044203300000000, 0.0014091300000000, 0.0037755900000000 ] - [ 0.0001345700000000, -0.0001681100000000, 0.0020923300000000 ] - [ 0.0000323000000000, -0.0001811500000000, 0.0018169000000000 ] - [ 0.0009778100000000, 0.0000624600000000, -0.0000994000000000 ] - [ -0.0002630100000000, 0.0000295000000000, 0.0028006000000000 ] - [ -0.0052446900000000, 0.0025946700000000, -0.0052965400000000 ] - [ 0.0019387900000000, -0.0001962900000000, -0.0048464700000000 ] - [ 0.0016837400000000, -0.0000403400000000, -0.0057340700000000 ] - [ 0.0010493700000000, 0.0006214700000000, -0.0074087000000000 ] - [ -0.0005290800000000, -0.0005418100000000, -0.0014038200000000 ] - [ 0.0026708700000000, 0.0022770100000000, -0.0129189300000000 ] - [ 0.0016483500000000, 0.0000060300000000, 0.0023142800000000 ] - [ 0.0055579600000000, 0.0010046100000000, 0.0021850000000000 ] - [ 0.0012280100000000, -0.0000027900000000, 0.0020668300000000 ] - [ 0.0021878700000000, -0.0000399500000000, -0.0010331300000000 ] - [ -0.0000783800000000, 0.0000238900000000, 0.0023830500000000 ] - [ 0.0001610300000000, 0.0000383700000000, 0.0016629000000000 ] - [ -0.0003764100000000, -0.0000203200000000, 0.0019049300000000 ] - [ 0.0002258700000000, -0.0000462800000000, 0.0017617800000000 ] - [ -0.0000085200000000, -0.0000020000000000, 0.0021813400000000 ] - [ 0.0001640500000000, -0.0000381700000000, 0.0016662200000000 ] - [ 0.0001979800000000, 0.0000030300000000, 0.0017977100000000 ] - [ 0.0002468900000000, 0.0002233000000000, 0.0021650100000000 ] - [ 0.0054286500000000, -0.0003076100000000, 0.0025543100000000 ] - [ 0.0008265500000000, -0.0000561800000000, -0.0001482200000000 ] - [ 0.0000203900000000, -0.0002349800000000, 0.0038874700000000 ] - [ 0.0002219900000000, -0.0002234600000000, 0.0021292200000000 ] - [ -0.0021290600000000, -0.0012804200000000, 0.0091284200000000 ] - [ 0.0006906700000000, 0.0000046700000000, 0.0019845200000000 ] - [ 0.0067661100000000, -0.0022805800000000, -0.0026035900000000 ] - [ -0.0001908200000000, -0.0000060900000000, 0.0012359500000000 ] - [ -0.0000182900000000, -0.0000010200000000, 0.0015873900000000 ] - [ -0.0007566000000000, 0.0002827300000000, 0.0018042200000000 ] - [ -0.0000119800000000, 0.0000033200000000, 0.0013050600000000 ] - [ -0.0000772600000000, -0.0000083400000000, 0.0013303700000000 ] - [ 0.0000775200000000, -0.0000010100000000, 0.0015494400000000 ] - [ 0.0013125000000000, 0.0001431200000000, 0.0022066300000000 ] - [ -0.0000121300000000, 0.0000032900000000, 0.0013756400000000 ] - [ 0.0725033300000000, 0.0828115500000000, 0.1450186100000000 ] - [ -0.0098296600000000, -0.0186922600000000, -0.0193413700000000 ] - [ -0.0011395600000000, -0.0003906200000000, 0.0028824100000000 ] - [ -0.0060517400000000, -0.0034063000000000, 0.0073253300000000 ] - [ 0.0011222500000000, 0.0002968100000000, -0.0015194200000000 ] - [ 0.0005128000000000, -0.0007635200000000, 0.0026757100000000 ] - [ -0.0049134900000000, 0.0029650100000000, 0.0077409300000000 ] - [ 0.0158609300000000, -0.0020757700000000, -0.0083253000000000 ] - [ -0.0000688100000000, -0.0000714200000000, -0.0017205000000000 ] - [ 0.0004306400000000, 0.0000682000000000, -0.0001809300000000 ] - [ 0.0014266100000000, -0.0002266300000000, -0.0021648300000000 ] - [ 0.0025513300000000, -0.0008630800000000, 0.0033462400000000 ] - [ 0.0000218300000000, 0.0000198400000000, -0.0014735200000000 ] - [ 0.0005035100000000, 0.0000409800000000, -0.0014528500000000 ] - [ 0.0013339700000000, 0.0002868200000000, -0.0018537900000000 ] - [ 0.0000192700000000, -0.0000211900000000, -0.0014619900000000 ] - [ -0.0003219500000000, -0.0002613500000000, -0.0011561300000000 ] - [ -0.0000616300000000, -0.0000012400000000, -0.0013666100000000 ] - [ -0.0001605200000000, -0.0000027500000000, -0.0016729500000000 ] - [ -0.0001540800000000, 0.0002997500000000, -0.0014178100000000 ] - [ 0.0000614000000000, -0.0000416600000000, -0.0013050400000000 ] - [ 0.0001397600000000, 0.0000009100000000, -0.0017040800000000 ] - [ 0.0001404100000000, 0.0000023600000000, -0.0019619300000000 ] - [ -0.0000784300000000, -0.0000168300000000, -0.0019370800000000 ] - [ -0.0001356600000000, -0.0000272100000000, -0.0014323400000000 ] - [ -0.0001009800000000, 0.0000448900000000, -0.0013326000000000 ] - [ -0.0000791200000000, 0.0000170800000000, -0.0019347600000000 ] - [ -0.0001595800000000, -0.0000012200000000, -0.0015921200000000 ] - [ 0.0010585000000000, 0.0002759100000000, -0.0006668000000000 ] - [ 0.0007470200000000, 0.0000213200000000, -0.0011019200000000 ] - [ 0.0000799600000000, 0.0000036100000000, -0.0014602300000000 ] - [ 0.0000549500000000, 0.0002247500000000, 0.0027508600000000 ] - [ -0.0000743100000000, 0.0002576800000000, -0.0006954000000000 ] - [ 0.0004656600000000, -0.0000971600000000, -0.0000586000000000 ] - [ -0.0003839300000000, 0.0000796700000000, 0.0001398800000000 ] - [ -0.0001167800000000, -0.0002557300000000, -0.0006380300000000 ] - [ 0.0001390900000000, -0.0002937100000000, 0.0017193300000000 ] - [ 0.0011198900000000, 0.0002659200000000, -0.0018716800000000 ] - [ -0.0023610800000000, -0.0002542100000000, 0.0011583600000000 ] - [ 0.0023917700000000, -0.0002485700000000, 0.0017483000000000 ] - [ -0.0016558000000000, 0.0003610700000000, 0.0028657800000000 ] - [ -0.0003987400000000, 0.0004515000000000, 0.0032159000000000 ] - [ 0.0031866500000000, -0.0047022400000000, 0.0109623200000000 ] - [ -0.0042152900000000, -0.0010797700000000, 0.0058088700000000 ] - [ -0.0025837600000000, -0.0002076200000000, -0.0037579300000000 ] - [ -0.0091290500000000, 0.0119206100000000, -0.0119684100000000 ] - [ 0.0006420800000000, -0.0000193800000000, 0.0076059800000000 ] - [ -0.0033992800000000, -0.0000959600000000, 0.0022040700000000 ] - [ -0.0007078000000000, -0.0001044500000000, -0.0019461500000000 ] - [ -0.0017260200000000, 0.0003309000000000, -0.0023792400000000 ] - [ -0.0010130600000000, -0.0000042300000000, -0.0004975100000000 ] - [ -0.0032470900000000, 0.0000626900000000, 0.0015607800000000 ] - [ -0.0000647600000000, 0.0000278100000000, -0.0014734400000000 ] - [ -0.0000570500000000, 0.0000521500000000, -0.0016695100000000 ] - [ -0.0004682000000000, 0.0000527100000000, -0.0003278200000000 ] - [ -0.0000667900000000, -0.0000294600000000, -0.0014590600000000 ] - [ -0.0001447000000000, -0.0003046500000000, -0.0014733100000000 ] - [ -0.0000635800000000, -0.0000009000000000, -0.0013714100000000 ] - [ -0.0001595300000000, -0.0000029200000000, -0.0017642900000000 ] - [ -0.0003573000000000, 0.0002466700000000, -0.0011107300000000 ] - [ -0.0000987400000000, -0.0000421600000000, -0.0013444300000000 ] - [ 0.0001517800000000, 0.0000010200000000, -0.0016931500000000 ] - [ 0.0001663400000000, 0.0000022500000000, -0.0018558200000000 ] - [ -0.0001060200000000, -0.0000159300000000, -0.0019896100000000 ] - [ 0.0003311600000000, -0.0000107000000000, -0.0011982300000000 ] - [ 0.0000565400000000, 0.0000445800000000, -0.0012965000000000 ] - [ -0.0001068300000000, 0.0000160900000000, -0.0019873200000000 ] - [ -0.0002243300000000, -0.0000019000000000, -0.0017317500000000 ] - [ -0.0011877300000000, -0.0000880000000000, -0.0033114600000000 ] - [ 0.0001608900000000, 0.0000510300000000, -0.0014884000000000 ] - [ 0.0000525500000000, 0.0000052400000000, -0.0016444400000000 ] - [ -0.0046342900000000, -0.0088995800000000, -0.0112409600000000 ] - [ 0.0000805100000000, 0.0002303800000000, -0.0012597900000000 ] - [ -0.0007905600000000, 0.0001137800000000, -0.0021598900000000 ] - [ 0.0010538900000000, -0.0001755100000000, -0.0016218700000000 ] - [ 0.0000473000000000, -0.0002217800000000, -0.0011818800000000 ] - [ -0.0016606600000000, 0.0044005900000000, -0.0052041500000000 ] - [ -0.0004985800000000, -0.0000308500000000, -0.0005468600000000 ] - [ 0.0061616800000000, 0.0008366800000000, -0.0034089000000000 ] - [ -0.0025003600000000, 0.0002126100000000, 0.0008164500000000 ]- atom: 58 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0017238400000000, 0.0000000000000000, -0.0022923500000000 ] - [ 0.0279486900000000, 0.0000000000000000, 0.0055498900000000 ] - [ 0.0265495200000000, -0.0027098000000000, -0.0033681500000000 ] - [ 0.0229678200000000, 0.0000000000000000, 0.0033124700000000 ] - [ -0.0081989800000000, -0.0000381400000000, -0.0028313300000000 ] - [ -0.0007731100000000, -0.0021265300000000, 0.0030745600000000 ] - [ -0.0076574200000000, 0.0000000000000000, 0.0042924400000000 ] - [ -0.0007731100000000, 0.0021265300000000, 0.0030745600000000 ] - [ 0.0054453300000000, 0.0000000000000000, 0.0039190400000000 ] - [ -0.0006449600000000, 0.0000000000000000, -0.0006752300000000 ] - [ -0.0001145000000000, -0.0000772600000000, -0.0005015600000000 ] - [ -0.0000352000000000, 0.0000000000000000, -0.0002094500000000 ] - [ 0.0021673600000000, 0.0000000000000000, -0.0004375500000000 ] - [ 0.0000737800000000, 0.0000000000000000, -0.0003803000000000 ] - [ -0.0001145000000000, 0.0000772600000000, -0.0005015600000000 ] - [ 0.0005773700000000, 0.0000000000000000, -0.0004192800000000 ] - [ 0.0000429800000000, 0.0000454100000000, 0.0000304500000000 ] - [ 0.0006967400000000, 0.0000000000000000, 0.0017927400000000 ] - [ 0.0013005100000000, -0.0001137000000000, -0.0006056200000000 ] - [ 0.0000734200000000, 0.0000000000000000, 0.0008089200000000 ] - [ 0.0000429800000000, -0.0000454100000000, 0.0000304500000000 ] - [ -0.0013040400000000, -0.0005391700000000, 0.0011370800000000 ] - [ 0.0003631200000000, 0.0000000000000000, 0.0003315700000000 ] - [ 0.0015205600000000, 0.0000000000000000, 0.0019699100000000 ] - [ -0.0073564600000000, 0.0000000000000000, 0.0028354200000000 ] - [ -0.0060205200000000, 0.0000000000000000, 0.0051540400000000 ] - [ -0.0081989800000000, 0.0000381400000000, -0.0028313300000000 ] - [ -0.0052947100000000, 0.0000000000000000, -0.0003058700000000 ] - [ 0.0265495200000000, 0.0027098000000000, -0.0033681500000000 ] - [ -0.0018816100000000, 0.0001936200000000, -0.0025294700000000 ] - [ 0.0035197800000000, 0.0000000000000000, -0.0027858400000000 ] - [ -0.0018816100000000, -0.0001936200000000, -0.0025294700000000 ] - [ -0.0109583200000000, 0.0000000000000000, -0.0036073400000000 ] - [ 0.0003984100000000, 0.0000000000000000, 0.0004990300000000 ] - [ 0.0002887100000000, -0.0000534200000000, -0.0002973900000000 ] - [ 0.0001334300000000, 0.0000000000000000, -0.0002740200000000 ] - [ -0.0011653200000000, 0.0000000000000000, 0.0000365300000000 ] - [ -0.0000214100000000, 0.0000000000000000, -0.0003691900000000 ] - [ 0.0002887100000000, 0.0000534200000000, -0.0002973900000000 ] - [ 0.0001464900000000, 0.0000000000000000, -0.0000050700000000 ] - [ 0.0000750100000000, 0.0000294800000000, -0.0000965900000000 ] - [ -0.0010600400000000, 0.0000000000000000, -0.0005799300000000 ] - [ -0.0013040400000000, 0.0005391700000000, 0.0011370800000000 ] - [ 0.0004080000000000, 0.0000000000000000, 0.0001996100000000 ] - [ 0.0000750100000000, -0.0000294800000000, -0.0000965900000000 ] - [ 0.0013005100000000, 0.0001137000000000, -0.0006056200000000 ] - [ 0.0000240900000000, 0.0000000000000000, 0.0003533400000000 ] - [ -0.0013781500000000, 0.0000000000000000, -0.0023224000000000 ] - [ -0.0002754700000000, 0.0000000000000000, 0.0003835500000000 ] - [ 0.0000456000000000, 0.0000000000000000, -0.0000421700000000 ] - [ 0.0003213900000000, 0.0000000000000000, 0.0007161900000000 ] - [ -0.0000563600000000, 0.0000000000000000, -0.0002345900000000 ] - [ 0.0001612200000000, 0.0000000000000000, -0.0008766500000000 ] - [ 0.0000108000000000, 0.0000000000000000, 0.0000206800000000 ] - [ -0.0001306700000000, 0.0000000000000000, 0.0002510400000000 ] - [ 0.0000381800000000, 0.0000000000000000, -0.0003441400000000 ] - [ -0.0021622300000000, 0.0082114300000000, 0.0103601700000000 ] - [ -0.1411297500000000, 0.0000000000000000, -0.0051480500000000 ] - [ 0.0039123500000000, -0.0003497300000000, -0.0001631100000000 ] - [ 0.0022348300000000, 0.0000000000000000, 0.0010076600000000 ] - [ 0.0023593100000000, 0.0007874900000000, -0.0014534800000000 ] - [ 0.0060172900000000, 0.0000000000000000, -0.0001846700000000 ] - [ 0.0029370600000000, 0.0000000000000000, 0.0025817500000000 ] - [ 0.0142552500000000, 0.0077274700000000, 0.0005085300000000 ] - [ 0.0006683300000000, 0.0000000000000000, -0.0027158600000000 ] - [ 0.0023593100000000, -0.0007874900000000, -0.0014534800000000 ] - [ 0.0031631500000000, 0.0000000000000000, -0.0107126100000000 ] - [ 0.0142552500000000, -0.0077274700000000, 0.0005085300000000 ] - [ -0.0000806800000000, 0.0000089600000000, -0.0003216900000000 ] - [ 0.0005543700000000, 0.0000000000000000, -0.0009002100000000 ] - [ -0.0004331100000000, 0.0000000000000000, -0.0017612100000000 ] - [ -0.0000806800000000, -0.0000089600000000, -0.0003216900000000 ] - [ 0.0009547100000000, -0.0002005100000000, 0.0005849000000000 ] - [ 0.0000082400000000, 0.0000000000000000, 0.0001869900000000 ] - [ 0.0001228600000000, 0.0000000000000000, -0.0003038300000000 ] - [ -0.0011413400000000, 0.0002535300000000, -0.0007412600000000 ] - [ -0.0000324400000000, -0.0000425000000000, 0.0001755600000000 ] - [ 0.0000750500000000, 0.0000000000000000, -0.0002724400000000 ] - [ -0.0001330200000000, 0.0000000000000000, -0.0002137600000000 ] - [ -0.0000139400000000, -0.0000314300000000, -0.0005076300000000 ] - [ 0.0001672100000000, 0.0000000000000000, 0.0002405200000000 ] - [ -0.0000085600000000, 0.0000438400000000, 0.0001810200000000 ] - [ -0.0000139400000000, 0.0000314300000000, -0.0005076300000000 ] - [ -0.0001818500000000, 0.0000000000000000, -0.0002017600000000 ] - [ -0.0000544700000000, 0.0001063200000000, -0.0001985400000000 ] - [ 0.0003466100000000, 0.0000000000000000, 0.0000820100000000 ] - [ 0.0000811700000000, 0.0000000000000000, -0.0001416800000000 ] - [ 0.0013856200000000, 0.0000000000000000, -0.0020401100000000 ] - [ 0.0000564300000000, 0.0001683200000000, 0.0004162900000000 ] - [ -0.0000544700000000, -0.0001063200000000, -0.0001985400000000 ] - [ 0.0005539500000000, 0.0000000000000000, 0.0003344300000000 ] - [ 0.0000564300000000, -0.0001683200000000, 0.0004162900000000 ] - [ 0.0005811300000000, 0.0000000000000000, -0.0003716500000000 ] - [ -0.0002306600000000, 0.0000000000000000, 0.0000390400000000 ] - [ 0.0009965300000000, 0.0001015200000000, 0.0010127500000000 ] - [ -0.0015846600000000, 0.0001905800000000, -0.0001865300000000 ] - [ 0.0039123500000000, 0.0003497300000000, -0.0001631100000000 ] - [ 0.0068952900000000, 0.0000000000000000, 0.0000658900000000 ] - [ -0.0021622300000000, -0.0082114300000000, 0.0103601700000000 ] - [ 0.0133123900000000, 0.0000000000000000, -0.0221606500000000 ] - [ -0.0012019900000000, 0.0024575400000000, 0.0052041600000000 ] - [ -0.0094210900000000, 0.0000000000000000, -0.0000431900000000 ] - [ -0.0029051500000000, 0.0000000000000000, -0.0027050900000000 ] - [ 0.0116262800000000, 0.0091421300000000, -0.0007766600000000 ] - [ -0.0000806700000000, 0.0000000000000000, 0.0016665100000000 ] - [ -0.0012019900000000, -0.0024575400000000, 0.0052041600000000 ] - [ 0.0024820000000000, 0.0000000000000000, 0.0016043200000000 ] - [ 0.0116262800000000, -0.0091421300000000, -0.0007766600000000 ] - [ 0.0000562800000000, 0.0000643300000000, 0.0002901700000000 ] - [ 0.0000980400000000, 0.0000000000000000, 0.0011521900000000 ] - [ 0.0015874300000000, 0.0000000000000000, 0.0017332200000000 ] - [ 0.0000562800000000, -0.0000643300000000, 0.0002901700000000 ] - [ -0.0011413400000000, -0.0002535300000000, -0.0007412600000000 ] - [ -0.0001021700000000, 0.0000000000000000, -0.0000091500000000 ] - [ -0.0004785300000000, 0.0000000000000000, -0.0004012900000000 ] - [ 0.0009547100000000, 0.0002005100000000, 0.0005849000000000 ] - [ -0.0000085600000000, -0.0000438400000000, 0.0001810200000000 ] - [ 0.0001927200000000, 0.0000000000000000, -0.0001531600000000 ] - [ 0.0004522600000000, 0.0000000000000000, -0.0001613800000000 ] - [ -0.0001667500000000, -0.0000331000000000, -0.0004599700000000 ] - [ 0.0000577100000000, 0.0000000000000000, 0.0001205000000000 ] - [ -0.0000324400000000, 0.0000425000000000, 0.0001755600000000 ] - [ -0.0001667500000000, 0.0000331000000000, -0.0004599700000000 ] - [ -0.0002085600000000, 0.0000000000000000, -0.0001450900000000 ] - [ 0.0000984800000000, 0.0002089900000000, 0.0007430800000000 ] - [ 0.0004672300000000, 0.0000000000000000, 0.0002727700000000 ] - [ 0.0000448000000000, 0.0000000000000000, -0.0000790100000000 ] - [ 0.0002152000000000, 0.0000000000000000, 0.0028501400000000 ] - [ -0.0000760500000000, 0.0001954300000000, 0.0005380900000000 ] - [ 0.0000984800000000, -0.0002089900000000, 0.0007430800000000 ] - [ -0.0004369700000000, 0.0000000000000000, 0.0006416200000000 ] - [ -0.0000760500000000, -0.0001954300000000, 0.0005380900000000 ] - [ -0.0003716800000000, 0.0000000000000000, 0.0014479800000000 ] - [ 0.0005945000000000, 0.0000000000000000, 0.0000976400000000 ] - [ -0.0015846600000000, -0.0001905800000000, -0.0001865300000000 ] - [ 0.0009965300000000, -0.0001015200000000, 0.0010127500000000 ]- atom: 58 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0019671100000000, 0.0000000000000000, 0.0028850600000000 ] - [ -0.0304513400000000, 0.0000000000000000, -0.0081033300000000 ] - [ -0.0262490000000000, 0.0023358000000000, 0.0028820800000000 ] - [ -0.0233302600000000, 0.0000000000000000, -0.0044374600000000 ] - [ 0.0083702700000000, -0.0000437700000000, 0.0027924000000000 ] - [ 0.0007267700000000, 0.0021339800000000, -0.0030718300000000 ] - [ 0.0074712200000000, 0.0000000000000000, -0.0041745200000000 ] - [ 0.0007267700000000, -0.0021339800000000, -0.0030718300000000 ] - [ -0.0057268100000000, 0.0000000000000000, -0.0038072500000000 ] - [ 0.0006447000000000, 0.0000000000000000, 0.0006296300000000 ] - [ 0.0003119900000000, -0.0000703000000000, -0.0002372500000000 ] - [ 0.0001274700000000, 0.0000000000000000, -0.0002075400000000 ] - [ -0.0015700500000000, 0.0000000000000000, 0.0002173000000000 ] - [ -0.0000178600000000, 0.0000000000000000, -0.0002770200000000 ] - [ 0.0003119900000000, 0.0000703000000000, -0.0002372500000000 ] - [ 0.0001307900000000, 0.0000000000000000, 0.0000916700000000 ] - [ 0.0000740400000000, 0.0000390600000000, -0.0000229100000000 ] - [ -0.0009337600000000, 0.0000000000000000, -0.0012002300000000 ] - [ -0.0015149100000000, 0.0003466700000000, 0.0015490100000000 ] - [ 0.0003404200000000, 0.0000000000000000, 0.0002855200000000 ] - [ 0.0000740400000000, -0.0000390600000000, -0.0000229100000000 ] - [ 0.0010856200000000, 0.0003032000000000, -0.0001828600000000 ] - [ 0.0000313100000000, 0.0000000000000000, 0.0004282800000000 ] - [ -0.0014473700000000, 0.0000000000000000, -0.0022195000000000 ] - [ 0.0076558600000000, 0.0000000000000000, -0.0022351500000000 ] - [ 0.0059041600000000, 0.0000000000000000, -0.0058938500000000 ] - [ 0.0083702700000000, 0.0000437700000000, 0.0027924000000000 ] - [ 0.0050785800000000, 0.0000000000000000, -0.0004340900000000 ] - [ -0.0262490000000000, -0.0023358000000000, 0.0028820800000000 ] - [ 0.0018780300000000, -0.0001902100000000, 0.0025489400000000 ] - [ -0.0036413900000000, 0.0000000000000000, 0.0029146100000000 ] - [ 0.0018780300000000, 0.0001902100000000, 0.0025489400000000 ] - [ 0.0107240500000000, 0.0000000000000000, 0.0036900900000000 ] - [ -0.0004082800000000, 0.0000000000000000, -0.0005468100000000 ] - [ -0.0000936100000000, -0.0000943000000000, -0.0004414000000000 ] - [ -0.0000403800000000, 0.0000000000000000, -0.0001435500000000 ] - [ 0.0017756900000000, 0.0000000000000000, -0.0002655800000000 ] - [ 0.0000778900000000, 0.0000000000000000, -0.0002884000000000 ] - [ -0.0000936100000000, 0.0000943000000000, -0.0004414000000000 ] - [ 0.0005623800000000, 0.0000000000000000, -0.0003245000000000 ] - [ 0.0000413500000000, 0.0000550800000000, 0.0001039600000000 ] - [ 0.0008084300000000, 0.0000000000000000, 0.0011693700000000 ] - [ 0.0010856200000000, -0.0003032000000000, -0.0001828600000000 ] - [ 0.0000054600000000, 0.0000000000000000, 0.0008921300000000 ] - [ 0.0000413500000000, -0.0000550800000000, 0.0001039600000000 ] - [ -0.0015149100000000, -0.0003466700000000, 0.0015490100000000 ] - [ 0.0003688600000000, 0.0000000000000000, 0.0004082100000000 ] - [ 0.0014288700000000, 0.0000000000000000, 0.0020825700000000 ] - [ 0.0001069900000000, 0.0000000000000000, -0.0008081400000000 ] - [ 0.0000117500000000, 0.0000000000000000, 0.0000765200000000 ] - [ -0.0000566100000000, 0.0000000000000000, 0.0003092600000000 ] - [ 0.0000343500000000, 0.0000000000000000, -0.0002867700000000 ] - [ -0.0003298900000000, 0.0000000000000000, 0.0004580800000000 ] - [ 0.0000463400000000, 0.0000000000000000, 0.0000135700000000 ] - [ 0.0003920700000000, 0.0000000000000000, 0.0007744900000000 ] - [ -0.0000602600000000, 0.0000000000000000, -0.0001767300000000 ] - [ 0.0022296800000000, -0.0081112300000000, -0.0101245000000000 ] - [ 0.1432587600000000, 0.0000000000000000, 0.0078508500000000 ] - [ -0.0039309000000000, 0.0002780400000000, 0.0003691600000000 ] - [ -0.0029015500000000, 0.0000000000000000, -0.0020560900000000 ] - [ -0.0026208200000000, -0.0010146400000000, 0.0008008300000000 ] - [ -0.0064174800000000, 0.0000000000000000, 0.0002073700000000 ] - [ -0.0033712700000000, 0.0000000000000000, -0.0027363800000000 ] - [ -0.0146443100000000, -0.0078595000000000, -0.0008380500000000 ] - [ -0.0015696100000000, 0.0000000000000000, 0.0019778600000000 ] - [ -0.0026208200000000, 0.0010146400000000, 0.0008008300000000 ] - [ -0.0033423900000000, 0.0000000000000000, 0.0103511100000000 ] - [ -0.0146443100000000, 0.0078595000000000, -0.0008380500000000 ] - [ 0.0000326300000000, 0.0000757800000000, 0.0002066000000000 ] - [ -0.0001586100000000, 0.0000000000000000, 0.0007396700000000 ] - [ 0.0010226700000000, 0.0000000000000000, 0.0019874000000000 ] - [ 0.0000326300000000, -0.0000757800000000, 0.0002066000000000 ] - [ -0.0010658300000000, -0.0000971800000000, -0.0005393300000000 ] - [ -0.0001129500000000, 0.0000000000000000, -0.0000615200000000 ] - [ -0.0004892200000000, 0.0000000000000000, -0.0003818800000000 ] - [ 0.0010414300000000, 0.0000447000000000, 0.0007869200000000 ] - [ -0.0000093500000000, -0.0000437200000000, 0.0001258400000000 ] - [ 0.0001907200000000, 0.0000000000000000, -0.0002137800000000 ] - [ 0.0004751400000000, 0.0000000000000000, -0.0002267600000000 ] - [ -0.0001649900000000, -0.0000298400000000, -0.0005091700000000 ] - [ 0.0000511300000000, 0.0000000000000000, 0.0000686300000000 ] - [ -0.0000331400000000, 0.0000425100000000, 0.0001204600000000 ] - [ -0.0001649900000000, 0.0000298400000000, -0.0005091700000000 ] - [ -0.0002074800000000, 0.0000000000000000, -0.0001953600000000 ] - [ 0.0000933700000000, 0.0002193300000000, 0.0006000500000000 ] - [ 0.0004667700000000, 0.0000000000000000, 0.0002083200000000 ] - [ 0.0000464100000000, 0.0000000000000000, -0.0001300600000000 ] - [ -0.0014727200000000, 0.0000000000000000, 0.0027729400000000 ] - [ -0.0000684500000000, 0.0002045100000000, 0.0004930600000000 ] - [ 0.0000933700000000, -0.0002193300000000, 0.0006000500000000 ] - [ -0.0004206900000000, 0.0000000000000000, 0.0007700800000000 ] - [ -0.0000684500000000, -0.0002045100000000, 0.0004930600000000 ] - [ -0.0004689000000000, 0.0000000000000000, 0.0010445500000000 ] - [ 0.0006326900000000, 0.0000000000000000, 0.0000405900000000 ] - [ -0.0011326800000000, 0.0001487200000000, -0.0000536800000000 ] - [ 0.0014395200000000, -0.0004376100000000, 0.0011492800000000 ] - [ -0.0039309000000000, -0.0002780400000000, 0.0003691600000000 ] - [ -0.0071056100000000, 0.0000000000000000, -0.0005884500000000 ] - [ 0.0022296800000000, 0.0081112300000000, -0.0101245000000000 ] - [ -0.0139418500000000, 0.0000000000000000, 0.0208885500000000 ] - [ 0.0008827600000000, -0.0026819200000000, -0.0058929200000000 ] - [ 0.0090364900000000, 0.0000000000000000, 0.0000657600000000 ] - [ 0.0024423500000000, 0.0000000000000000, 0.0025734000000000 ] - [ -0.0116374300000000, -0.0089647400000000, 0.0004447100000000 ] - [ -0.0008289100000000, 0.0000000000000000, -0.0024251000000000 ] - [ 0.0008827600000000, 0.0026819200000000, -0.0058929200000000 ] - [ -0.0026707800000000, 0.0000000000000000, -0.0020440400000000 ] - [ -0.0116374300000000, 0.0089647400000000, 0.0004447100000000 ] - [ -0.0001064400000000, 0.0000203900000000, -0.0004075900000000 ] - [ 0.0002911800000000, 0.0000000000000000, -0.0013244800000000 ] - [ -0.0010280600000000, 0.0000000000000000, -0.0014992100000000 ] - [ -0.0001064400000000, -0.0000203900000000, -0.0004075900000000 ] - [ 0.0010414300000000, -0.0000447000000000, 0.0007869200000000 ] - [ -0.0000017200000000, 0.0000000000000000, 0.0001352300000000 ] - [ 0.0001148000000000, 0.0000000000000000, -0.0002853000000000 ] - [ -0.0010658300000000, 0.0000971800000000, -0.0005393300000000 ] - [ -0.0000331400000000, -0.0000425100000000, 0.0001204600000000 ] - [ 0.0000722700000000, 0.0000000000000000, -0.0003332100000000 ] - [ -0.0001122300000000, 0.0000000000000000, -0.0002772800000000 ] - [ -0.0000117000000000, -0.0000282400000000, -0.0005574300000000 ] - [ 0.0001599000000000, 0.0000000000000000, 0.0001886200000000 ] - [ -0.0000093500000000, 0.0000437200000000, 0.0001258400000000 ] - [ -0.0000117000000000, 0.0000282400000000, -0.0005574300000000 ] - [ -0.0001800300000000, 0.0000000000000000, -0.0002522800000000 ] - [ -0.0000564200000000, 0.0001173200000000, -0.0003384300000000 ] - [ 0.0003471100000000, 0.0000000000000000, 0.0000181200000000 ] - [ 0.0000829100000000, 0.0000000000000000, -0.0001926800000000 ] - [ -0.0002982100000000, 0.0000000000000000, -0.0020946200000000 ] - [ 0.0000638500000000, 0.0001774400000000, 0.0003722700000000 ] - [ -0.0000564200000000, -0.0001173200000000, -0.0003384300000000 ] - [ 0.0005684400000000, 0.0000000000000000, 0.0004663600000000 ] - [ 0.0000638500000000, -0.0001774400000000, 0.0003722700000000 ] - [ 0.0004886700000000, 0.0000000000000000, -0.0007690200000000 ] - [ -0.0001912700000000, 0.0000000000000000, -0.0000202600000000 ] - [ 0.0014395200000000, 0.0004376100000000, 0.0011492800000000 ] - [ -0.0011326800000000, -0.0001487200000000, -0.0000536800000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001457900000000, -0.0096127300000000, 0.0002989300000000 ] - [ 0.0000130600000000, 0.0200162100000000, -0.0003683700000000 ] - [ -0.0034292200000000, 0.0197065100000000, 0.0078012300000000 ] - [ -0.0000887100000000, 0.0190900500000000, -0.0005827200000000 ] - [ -0.0016371500000000, -0.0000670300000000, -0.0014912600000000 ] - [ -0.0000283800000000, 0.0001761500000000, 0.0000688000000000 ] - [ -0.0001159900000000, 0.0029144800000000, 0.0000753900000000 ] - [ -0.0000138600000000, 0.0001972300000000, -0.0000495100000000 ] - [ -0.0000364200000000, -0.0086671300000000, 0.0000467100000000 ] - [ -0.0000038700000000, -0.0000398500000000, -0.0000242000000000 ] - [ 0.0001063100000000, -0.0000734000000000, -0.0003648600000000 ] - [ 0.0000467000000000, 0.0000025600000000, -0.0002087100000000 ] - [ 0.0003061600000000, 0.0003122500000000, -0.0001118700000000 ] - [ 0.0000284200000000, -0.0000015700000000, -0.0003288900000000 ] - [ 0.0000898900000000, 0.0000740000000000, -0.0003747800000000 ] - [ 0.0003547500000000, -0.0000141800000000, -0.0001649300000000 ] - [ 0.0000568200000000, 0.0000427900000000, 0.0000023500000000 ] - [ -0.0001228800000000, 0.0002958300000000, 0.0002919700000000 ] - [ 0.0000802900000000, 0.0001102000000000, 0.0011008000000000 ] - [ 0.0002069300000000, 0.0000305400000000, 0.0005463800000000 ] - [ 0.0000602600000000, -0.0000416000000000, 0.0000048300000000 ] - [ -0.0001106500000000, -0.0001175600000000, 0.0004879200000000 ] - [ 0.0001968900000000, -0.0000046700000000, 0.0003806500000000 ] - [ 0.0000309400000000, -0.0004944800000000, -0.0001198200000000 ] - [ 0.0001622300000000, 0.0000946100000000, 0.0002969500000000 ] - [ -0.0000708500000000, -0.0034981300000000, -0.0003831700000000 ] - [ 0.0017902700000000, 0.0000087700000000, 0.0014186300000000 ] - [ -0.0001189300000000, -0.0005904400000000, -0.0003587900000000 ] - [ 0.0045179000000000, 0.0210467000000000, -0.0091268600000000 ] - [ -0.0023772800000000, 0.0001717600000000, -0.0016742400000000 ] - [ -0.0001272900000000, -0.0080976500000000, 0.0000480700000000 ] - [ 0.0023422000000000, 0.0001679100000000, 0.0016818800000000 ] - [ -0.0001041600000000, 0.0045503400000000, 0.0000580600000000 ] - [ -0.0000031600000000, -0.0001200400000000, -0.0000230100000000 ] - [ 0.0001065800000000, -0.0000731500000000, -0.0003609300000000 ] - [ 0.0000465000000000, 0.0000030300000000, -0.0002086700000000 ] - [ 0.0003020300000000, -0.0000140200000000, -0.0001126800000000 ] - [ 0.0000282400000000, -0.0000011000000000, -0.0003290400000000 ] - [ 0.0000905900000000, 0.0000743000000000, -0.0003781100000000 ] - [ 0.0003541700000000, -0.0000113100000000, -0.0001644500000000 ] - [ 0.0000564600000000, 0.0000428500000000, 0.0000007200000000 ] - [ -0.0001199100000000, 0.0000307300000000, 0.0002951900000000 ] - [ -0.0001048400000000, 0.0001140900000000, 0.0004607500000000 ] - [ 0.0002068500000000, 0.0000411400000000, 0.0005471300000000 ] - [ 0.0000606000000000, -0.0000417400000000, 0.0000069500000000 ] - [ -0.0003003500000000, -0.0001248200000000, -0.0001471700000000 ] - [ 0.0001972900000000, 0.0000005700000000, 0.0003805600000000 ] - [ 0.0000348800000000, 0.0005882100000000, -0.0001241600000000 ] - [ -0.0000841800000000, 0.0000196400000000, -0.0002106400000000 ] - [ 0.0000288600000000, -0.0000033900000000, 0.0000170700000000 ] - [ 0.0001316800000000, -0.0000529000000000, 0.0005125300000000 ] - [ -0.0000108500000000, 0.0000051300000000, -0.0002607600000000 ] - [ -0.0000837300000000, 0.0000351600000000, -0.0002121900000000 ] - [ 0.0000288900000000, -0.0000039800000000, 0.0000171300000000 ] - [ 0.0001323300000000, -0.0000264200000000, 0.0005130000000000 ] - [ -0.0000106500000000, 0.0000051000000000, -0.0002607900000000 ] - [ 0.0082116400000000, 0.0117018000000000, 0.0178961300000000 ] - [ -0.0011392800000000, -0.1318126500000000, 0.0013375900000000 ] - [ -0.0002591600000000, -0.0001766600000000, 0.0005972100000000 ] - [ -0.0003440500000000, 0.0019956700000000, -0.0005099800000000 ] - [ 0.0000151200000000, -0.0000370600000000, -0.0009116700000000 ] - [ -0.0001924600000000, -0.0014050600000000, 0.0000098700000000 ] - [ -0.0002191700000000, -0.0014908400000000, -0.0000636600000000 ] - [ 0.0090753600000000, 0.0021510700000000, 0.0003353700000000 ] - [ -0.0004464500000000, 0.0000107300000000, -0.0003801100000000 ] - [ -0.0002681500000000, 0.0001836900000000, 0.0002446500000000 ] - [ -0.0000574400000000, -0.0041273400000000, -0.0002665400000000 ] - [ -0.0092975800000000, 0.0021024100000000, -0.0006688100000000 ] - [ -0.0000369900000000, 0.0000481400000000, -0.0000317400000000 ] - [ 0.0001966200000000, 0.0000371500000000, -0.0000806900000000 ] - [ 0.0002823200000000, 0.0009786800000000, 0.0001178000000000 ] - [ -0.0000116700000000, -0.0000358800000000, -0.0000836200000000 ] - [ -0.0000008900000000, -0.0001413300000000, 0.0000117800000000 ] - [ -0.0000517400000000, 0.0000059500000000, 0.0000640100000000 ] - [ -0.0001815200000000, 0.0000021100000000, -0.0003425900000000 ] - [ 0.0001084300000000, 0.0001834900000000, -0.0000880100000000 ] - [ -0.0000208000000000, -0.0000430600000000, 0.0001525100000000 ] - [ 0.0001329600000000, -0.0000015700000000, -0.0002427800000000 ] - [ 0.0001703200000000, -0.0000064700000000, -0.0002199100000000 ] - [ -0.0000910000000000, -0.0000300800000000, -0.0005060800000000 ] - [ 0.0001090700000000, 0.0000054100000000, 0.0001547300000000 ] - [ -0.0000206900000000, 0.0000431100000000, 0.0001498400000000 ] - [ -0.0000871700000000, 0.0000309900000000, -0.0005100700000000 ] - [ -0.0001942600000000, 0.0000003600000000, -0.0001982400000000 ] - [ -0.0000305800000000, 0.0001486600000000, 0.0002551100000000 ] - [ 0.0004071800000000, -0.0000037300000000, 0.0001454400000000 ] - [ 0.0000640300000000, -0.0000004700000000, -0.0001354600000000 ] - [ -0.0000476500000000, -0.0000095700000000, 0.0003763900000000 ] - [ -0.0000095700000000, 0.0001862600000000, 0.0004599300000000 ] - [ 0.0000720500000000, -0.0001779700000000, 0.0001481600000000 ] - [ 0.0000657800000000, -0.0000175800000000, 0.0005539200000000 ] - [ -0.0000019600000000, -0.0001864400000000, 0.0004503600000000 ] - [ 0.0000578700000000, 0.0000509200000000, 0.0003363800000000 ] - [ 0.0002021700000000, -0.0000468400000000, 0.0000388700000000 ] - [ -0.0000766500000000, 0.0001288600000000, 0.0004445600000000 ] - [ 0.0002596600000000, -0.0002108400000000, 0.0001341100000000 ] - [ 0.0002414400000000, -0.0001079500000000, -0.0003887900000000 ] - [ -0.0000966500000000, 0.0015481800000000, -0.0002609800000000 ] - [ -0.0082926600000000, 0.0116196300000000, -0.0178611500000000 ] - [ -0.0004006400000000, -0.0052863400000000, -0.0004570600000000 ] - [ 0.0049902900000000, 0.0019339900000000, 0.0070619100000000 ] - [ -0.0001816000000000, 0.0368004100000000, 0.0000156000000000 ] - [ -0.0002124000000000, 0.0021097400000000, -0.0000795500000000 ] - [ 0.0077948200000000, 0.0045887200000000, -0.0005930000000000 ] - [ -0.0004525700000000, 0.0013983600000000, -0.0003719400000000 ] - [ -0.0052242400000000, 0.0021714500000000, -0.0076644800000000 ] - [ -0.0000807800000000, 0.0012923100000000, -0.0002263000000000 ] - [ -0.0078732700000000, 0.0045724400000000, 0.0002693200000000 ] - [ -0.0000114200000000, 0.0000449100000000, -0.0000282500000000 ] - [ 0.0001966700000000, -0.0005176900000000, -0.0000790700000000 ] - [ 0.0002901800000000, -0.0013850200000000, 0.0001122100000000 ] - [ -0.0000371900000000, -0.0000393900000000, -0.0000855400000000 ] - [ -0.0002159600000000, -0.0001166600000000, 0.0001297800000000 ] - [ -0.0000519100000000, 0.0000041300000000, 0.0000637000000000 ] - [ -0.0001823600000000, 0.0000100100000000, -0.0003427200000000 ] - [ -0.0001025400000000, 0.0001564000000000, 0.0000345600000000 ] - [ -0.0000209100000000, -0.0000429400000000, 0.0001526000000000 ] - [ 0.0001332000000000, -0.0000023800000000, -0.0002425600000000 ] - [ 0.0001709800000000, -0.0000001800000000, -0.0002194400000000 ] - [ -0.0000903700000000, -0.0000301500000000, -0.0005061500000000 ] - [ 0.0001093200000000, 0.0000020900000000, 0.0001549400000000 ] - [ -0.0000202600000000, 0.0000431300000000, 0.0001498000000000 ] - [ -0.0000881400000000, 0.0000310600000000, -0.0005101400000000 ] - [ -0.0001940100000000, 0.0000004900000000, -0.0001984400000000 ] - [ 0.0000604700000000, 0.0001686900000000, 0.0003065800000000 ] - [ 0.0004069400000000, -0.0000090700000000, 0.0001453000000000 ] - [ 0.0000640400000000, -0.0000007900000000, -0.0001356300000000 ] - [ -0.0000452600000000, 0.0017360600000000, 0.0003673600000000 ] - [ -0.0000086800000000, 0.0001856000000000, 0.0004616600000000 ] - [ -0.0000200500000000, -0.0001572900000000, 0.0000944700000000 ] - [ 0.0000669200000000, 0.0000276900000000, 0.0005531100000000 ] - [ -0.0000027100000000, -0.0001870500000000, 0.0004483400000000 ] - [ 0.0000572600000000, -0.0007029000000000, 0.0003353000000000 ] - [ 0.0002013600000000, 0.0000086000000000, 0.0000392400000000 ] - [ -0.0003950500000000, 0.0000417000000000, 0.0008283000000000 ] - [ -0.0000643700000000, -0.0001195700000000, 0.0005174100000000 ]- atom: 58 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0079798300000000, 0.0000000000000000, 0.0000804200000000 ] - [ 0.0073972400000000, 0.0000000000000000, 0.0357965000000000 ] - [ 0.0027341400000000, 0.0029827700000000, 0.0353783900000000 ] - [ 0.0069134500000000, 0.0000000000000000, 0.0767282800000000 ] - [ -0.0017065700000000, 0.0003696200000000, 0.0066315200000000 ] - [ 0.0030999600000000, 0.0036852400000000, -0.0017632700000000 ] - [ 0.0042338600000000, 0.0000000000000000, 0.0094283500000000 ] - [ 0.0030999600000000, -0.0036852400000000, -0.0017632700000000 ] - [ 0.0036088000000000, 0.0000000000000000, 0.0107799900000000 ] - [ -0.0009460200000000, 0.0000000000000000, -0.0027090400000000 ] - [ -0.0001580000000000, -0.0002553800000000, -0.0027986800000000 ] - [ 0.0002240700000000, 0.0000000000000000, -0.0026393200000000 ] - [ 0.0008699600000000, 0.0000000000000000, -0.0038803900000000 ] - [ 0.0000375900000000, 0.0000000000000000, -0.0035577300000000 ] - [ -0.0001580000000000, 0.0002553800000000, -0.0027986800000000 ] - [ 0.0004938100000000, 0.0000000000000000, -0.0027801900000000 ] - [ -0.0000064100000000, -0.0001543400000000, -0.0024433000000000 ] - [ 0.0007972400000000, 0.0000000000000000, -0.0027865300000000 ] - [ 0.0001843800000000, -0.0003627600000000, -0.0033906100000000 ] - [ 0.0003105500000000, 0.0000000000000000, -0.0022263700000000 ] - [ -0.0000064100000000, 0.0001543400000000, -0.0024433000000000 ] - [ 0.0001033200000000, 0.0001978000000000, -0.0010901200000000 ] - [ 0.0003013800000000, 0.0000000000000000, -0.0024319500000000 ] - [ 0.0026052100000000, 0.0000000000000000, -0.0013379600000000 ] - [ 0.0070015700000000, 0.0000000000000000, 0.0017741600000000 ] - [ 0.0000033500000000, 0.0000000000000000, 0.0081655300000000 ] - [ -0.0017065700000000, -0.0003696200000000, 0.0066315200000000 ] - [ -0.0016895800000000, 0.0000000000000000, 0.0047154400000000 ] - [ 0.0027341400000000, -0.0029827700000000, 0.0353783900000000 ] - [ -0.0064120900000000, 0.0008344600000000, -0.0030996700000000 ] - [ -0.0044084300000000, 0.0000000000000000, 0.0127092300000000 ] - [ -0.0064120900000000, -0.0008344600000000, -0.0030996700000000 ] - [ -0.0054554800000000, 0.0000000000000000, 0.0083443600000000 ] - [ 0.0008327600000000, 0.0000000000000000, -0.0027944000000000 ] - [ 0.0001427100000000, -0.0002321200000000, -0.0029657100000000 ] - [ 0.0003350500000000, 0.0000000000000000, -0.0027480800000000 ] - [ -0.0001881100000000, 0.0000000000000000, -0.0016326500000000 ] - [ 0.0000200100000000, 0.0000000000000000, -0.0034977100000000 ] - [ 0.0001427100000000, 0.0002321200000000, -0.0029657100000000 ] - [ 0.0006122700000000, 0.0000000000000000, -0.0025207200000000 ] - [ -0.0001055700000000, -0.0001650700000000, -0.0025205900000000 ] - [ -0.0020086700000000, 0.0000000000000000, -0.0019238600000000 ] - [ 0.0001033200000000, -0.0001978000000000, -0.0010901200000000 ] - [ 0.0001181800000000, 0.0000000000000000, -0.0026669400000000 ] - [ -0.0001055700000000, 0.0001650700000000, -0.0025205900000000 ] - [ 0.0001843800000000, 0.0003627600000000, -0.0033906100000000 ] - [ 0.0000875700000000, 0.0000000000000000, -0.0020404600000000 ] - [ -0.0025320500000000, 0.0000000000000000, -0.0006435700000000 ] - [ 0.0001077800000000, 0.0000000000000000, -0.0019295100000000 ] - [ 0.0000279400000000, 0.0000000000000000, -0.0019472400000000 ] - [ 0.0004676700000000, 0.0000000000000000, -0.0015151500000000 ] - [ 0.0000075300000000, 0.0000000000000000, -0.0022433800000000 ] - [ -0.0001887400000000, 0.0000000000000000, -0.0025931000000000 ] - [ 0.0000312600000000, 0.0000000000000000, -0.0019259600000000 ] - [ -0.0002142500000000, 0.0000000000000000, -0.0013695900000000 ] - [ -0.0000277600000000, 0.0000000000000000, -0.0023127800000000 ] - [ 0.0125834900000000, 0.0217913600000000, 0.0188017500000000 ] - [ -0.0264901000000000, 0.0000000000000000, -0.2480226200000000 ] - [ -0.0013077200000000, 0.0012736700000000, -0.0031421800000000 ] - [ 0.0042916100000000, 0.0000000000000000, -0.0042699900000000 ] - [ -0.0015250800000000, -0.0006012100000000, -0.0032233100000000 ] - [ 0.0010445600000000, 0.0000000000000000, -0.0043812900000000 ] - [ 0.0031056200000000, 0.0000000000000000, -0.0031493800000000 ] - [ 0.0005175900000000, 0.0006002600000000, -0.0082396800000000 ] - [ -0.0022905400000000, 0.0000000000000000, 0.0019194300000000 ] - [ -0.0015250800000000, 0.0006012100000000, -0.0032233100000000 ] - [ -0.0127717600000000, 0.0000000000000000, 0.0084666100000000 ] - [ 0.0005175900000000, -0.0006002600000000, -0.0082396800000000 ] - [ -0.0002201800000000, 0.0001193300000000, 0.0016319900000000 ] - [ -0.0003655600000000, 0.0000000000000000, 0.0003586500000000 ] - [ -0.0012877900000000, 0.0000000000000000, -0.0017251300000000 ] - [ -0.0002201800000000, -0.0001193300000000, 0.0016319900000000 ] - [ 0.0009312700000000, -0.0001013600000000, 0.0009960400000000 ] - [ 0.0000151800000000, 0.0000000000000000, 0.0018905200000000 ] - [ -0.0001640700000000, 0.0000000000000000, 0.0012586000000000 ] - [ -0.0006079400000000, -0.0005172200000000, 0.0019120100000000 ] - [ -0.0000376100000000, -0.0000425500000000, 0.0019929700000000 ] - [ 0.0000713200000000, 0.0000000000000000, 0.0015855300000000 ] - [ 0.0001289000000000, 0.0000000000000000, 0.0020330800000000 ] - [ -0.0000927100000000, -0.0000417400000000, 0.0012637800000000 ] - [ 0.0001810600000000, 0.0000000000000000, 0.0020007600000000 ] - [ -0.0000075300000000, 0.0000431200000000, 0.0019970400000000 ] - [ -0.0000927100000000, 0.0000417400000000, 0.0012637800000000 ] - [ -0.0002133000000000, 0.0000000000000000, 0.0016144800000000 ] - [ -0.0003004000000000, 0.0002129300000000, 0.0018346200000000 ] - [ 0.0002255500000000, 0.0000000000000000, 0.0019051000000000 ] - [ 0.0000466200000000, 0.0000000000000000, 0.0016174600000000 ] - [ -0.0016342000000000, 0.0000000000000000, 0.0023024200000000 ] - [ 0.0000228400000000, 0.0001165500000000, 0.0021420700000000 ] - [ -0.0003004000000000, -0.0002129300000000, 0.0018346200000000 ] - [ -0.0000518600000000, 0.0000000000000000, 0.0020868300000000 ] - [ 0.0000228400000000, -0.0001165500000000, 0.0021420700000000 ] - [ -0.0006383800000000, 0.0000000000000000, 0.0008750300000000 ] - [ 0.0000936600000000, 0.0000000000000000, 0.0022903700000000 ] - [ 0.0006854100000000, 0.0000529800000000, 0.0010142800000000 ] - [ -0.0007826100000000, 0.0000244300000000, 0.0023370400000000 ] - [ -0.0013077200000000, -0.0012736700000000, -0.0031421800000000 ] - [ 0.0012228300000000, 0.0000000000000000, -0.0055740200000000 ] - [ 0.0125834900000000, -0.0217913600000000, 0.0188017500000000 ] - [ -0.0252187800000000, 0.0000000000000000, 0.0147655200000000 ] - [ 0.0092897900000000, 0.0081337800000000, 0.0087752000000000 ] - [ -0.0012421500000000, 0.0000000000000000, -0.0123518500000000 ] - [ -0.0036169700000000, 0.0000000000000000, -0.0046010300000000 ] - [ 0.0028049900000000, 0.0021216200000000, -0.0088275400000000 ] - [ 0.0011924900000000, 0.0000000000000000, 0.0034050700000000 ] - [ 0.0092897900000000, -0.0081337800000000, 0.0087752000000000 ] - [ 0.0039782300000000, 0.0000000000000000, -0.0026096100000000 ] - [ 0.0028049900000000, -0.0021216200000000, -0.0088275400000000 ] - [ 0.0002011800000000, 0.0000777600000000, 0.0017980600000000 ] - [ 0.0012712700000000, 0.0000000000000000, 0.0023168600000000 ] - [ 0.0034560500000000, 0.0000000000000000, -0.0018692200000000 ] - [ 0.0002011800000000, -0.0000777600000000, 0.0017980600000000 ] - [ -0.0006079400000000, 0.0005172200000000, 0.0019120100000000 ] - [ -0.0000964100000000, 0.0000000000000000, 0.0018645800000000 ] - [ -0.0003354300000000, 0.0000000000000000, 0.0015600900000000 ] - [ 0.0009312700000000, 0.0001013600000000, 0.0009960400000000 ] - [ -0.0000075300000000, -0.0000431200000000, 0.0019970400000000 ] - [ 0.0001689900000000, 0.0000000000000000, 0.0015745500000000 ] - [ 0.0002614400000000, 0.0000000000000000, 0.0016276400000000 ] - [ -0.0000793400000000, -0.0000466700000000, 0.0013665500000000 ] - [ 0.0000395700000000, 0.0000000000000000, 0.0019727300000000 ] - [ -0.0000376100000000, 0.0000425500000000, 0.0019929700000000 ] - [ -0.0000793400000000, 0.0000466700000000, 0.0013665500000000 ] - [ -0.0001739500000000, 0.0000000000000000, 0.0016732700000000 ] - [ 0.0004450600000000, 0.0002920900000000, 0.0023176600000000 ] - [ 0.0004200000000000, 0.0000000000000000, 0.0019541000000000 ] - [ 0.0000835200000000, 0.0000000000000000, 0.0016844300000000 ] - [ 0.0017755000000000, 0.0000000000000000, 0.0054617600000000 ] - [ 0.0000443900000000, 0.0001106000000000, 0.0023337700000000 ] - [ 0.0004450600000000, -0.0002920900000000, 0.0023176600000000 ] - [ -0.0000290000000000, 0.0000000000000000, 0.0027291000000000 ] - [ 0.0000443900000000, -0.0001106000000000, 0.0023337700000000 ] - [ 0.0005532300000000, 0.0000000000000000, 0.0022705400000000 ] - [ 0.0003043800000000, 0.0000000000000000, 0.0015812500000000 ] - [ -0.0007826100000000, -0.0000244300000000, 0.0023370400000000 ] - [ 0.0006854100000000, -0.0000529800000000, 0.0010142800000000 ]- atom: 58 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0082584000000000, 0.0000000000000000, 0.0004827700000000 ] - [ -0.0091862900000000, 0.0000000000000000, -0.0374861300000000 ] - [ -0.0021450500000000, -0.0036459200000000, -0.0358694900000000 ] - [ -0.0069444900000000, 0.0000000000000000, -0.0713023200000000 ] - [ 0.0018594600000000, -0.0004467400000000, -0.0067231500000000 ] - [ -0.0031158800000000, -0.0036584100000000, 0.0017708700000000 ] - [ -0.0044104000000000, 0.0000000000000000, -0.0091903100000000 ] - [ -0.0031158800000000, 0.0036584100000000, 0.0017708700000000 ] - [ -0.0038001700000000, 0.0000000000000000, -0.0105809700000000 ] - [ 0.0009343200000000, 0.0000000000000000, 0.0026565000000000 ] - [ 0.0003533100000000, 0.0001071900000000, 0.0020532200000000 ] - [ -0.0001301000000000, 0.0000000000000000, 0.0022148700000000 ] - [ -0.0002617500000000, 0.0000000000000000, 0.0036391400000000 ] - [ 0.0000190400000000, 0.0000000000000000, 0.0028908700000000 ] - [ 0.0003533100000000, -0.0001071900000000, 0.0020532200000000 ] - [ 0.0002149600000000, 0.0000000000000000, 0.0024433600000000 ] - [ 0.0001229500000000, 0.0002383600000000, 0.0024435500000000 ] - [ -0.0010411800000000, 0.0000000000000000, 0.0033645400000000 ] - [ -0.0004067800000000, 0.0006003200000000, 0.0043379200000000 ] - [ 0.0001034900000000, 0.0000000000000000, 0.0033104600000000 ] - [ 0.0001229500000000, -0.0002383600000000, 0.0024435500000000 ] - [ -0.0003185600000000, -0.0004321400000000, 0.0020307500000000 ] - [ 0.0000920800000000, 0.0000000000000000, 0.0031850500000000 ] - [ -0.0025478300000000, 0.0000000000000000, 0.0010714100000000 ] - [ -0.0066708200000000, 0.0000000000000000, -0.0012049500000000 ] - [ -0.0001093300000000, 0.0000000000000000, -0.0089735400000000 ] - [ 0.0018594600000000, 0.0004467400000000, -0.0067231500000000 ] - [ 0.0014560900000000, 0.0000000000000000, -0.0053908100000000 ] - [ -0.0021450500000000, 0.0036459200000000, -0.0358694900000000 ] - [ 0.0063386500000000, -0.0008251700000000, 0.0031014300000000 ] - [ 0.0041871200000000, 0.0000000000000000, -0.0124028800000000 ] - [ 0.0063386500000000, 0.0008251700000000, 0.0031014300000000 ] - [ 0.0052372300000000, 0.0000000000000000, -0.0081526800000000 ] - [ -0.0008329000000000, 0.0000000000000000, 0.0027400600000000 ] - [ 0.0000543400000000, 0.0000840000000000, 0.0022187400000000 ] - [ -0.0002417100000000, 0.0000000000000000, 0.0023237600000000 ] - [ 0.0007920500000000, 0.0000000000000000, 0.0014074300000000 ] - [ 0.0000363400000000, 0.0000000000000000, 0.0028309900000000 ] - [ 0.0000543400000000, -0.0000840000000000, 0.0022187400000000 ] - [ 0.0000979500000000, 0.0000000000000000, 0.0021853600000000 ] - [ 0.0002221100000000, 0.0002490900000000, 0.0025212300000000 ] - [ 0.0017715300000000, 0.0000000000000000, 0.0025078700000000 ] - [ -0.0003185600000000, 0.0004321400000000, 0.0020307500000000 ] - [ 0.0002951400000000, 0.0000000000000000, 0.0037530700000000 ] - [ 0.0002221100000000, -0.0002490900000000, 0.0025212300000000 ] - [ -0.0004067800000000, -0.0006003200000000, 0.0043379200000000 ] - [ 0.0003070200000000, 0.0000000000000000, 0.0027934500000000 ] - [ 0.0026027700000000, 0.0000000000000000, 0.0003850600000000 ] - [ -0.0002740400000000, 0.0000000000000000, 0.0015027400000000 ] - [ 0.0000294100000000, 0.0000000000000000, 0.0019760200000000 ] - [ -0.0002048400000000, 0.0000000000000000, 0.0025333800000000 ] - [ -0.0000290400000000, 0.0000000000000000, 0.0017166000000000 ] - [ 0.0000190200000000, 0.0000000000000000, 0.0021631000000000 ] - [ 0.0000264900000000, 0.0000000000000000, 0.0019545300000000 ] - [ 0.0004788600000000, 0.0000000000000000, 0.0023889700000000 ] - [ 0.0000059800000000, 0.0000000000000000, 0.0017859400000000 ] - [ -0.0127597300000000, -0.0220349900000000, -0.0188583400000000 ] - [ 0.0269474200000000, 0.0000000000000000, 0.2433496400000000 ] - [ 0.0012888000000000, -0.0013511200000000, 0.0033645700000000 ] - [ -0.0049942300000000, 0.0000000000000000, 0.0032624300000000 ] - [ 0.0012533300000000, 0.0003703700000000, 0.0025322100000000 ] - [ -0.0014307200000000, 0.0000000000000000, 0.0043900500000000 ] - [ -0.0035494400000000, 0.0000000000000000, 0.0030301500000000 ] - [ -0.0006131100000000, -0.0005464900000000, 0.0078965800000000 ] - [ 0.0013780500000000, 0.0000000000000000, -0.0026567400000000 ] - [ 0.0012533300000000, -0.0003703700000000, 0.0025322100000000 ] - [ 0.0124503000000000, 0.0000000000000000, -0.0088119400000000 ] - [ -0.0006131100000000, 0.0005464900000000, 0.0078965800000000 ] - [ 0.0001696300000000, -0.0000345900000000, -0.0017433800000000 ] - [ 0.0007558100000000, 0.0000000000000000, -0.0005274000000000 ] - [ 0.0018560700000000, 0.0000000000000000, 0.0019238900000000 ] - [ 0.0001696300000000, 0.0000345900000000, -0.0017433800000000 ] - [ -0.0010317200000000, -0.0001970500000000, -0.0009517900000000 ] - [ -0.0001186700000000, 0.0000000000000000, -0.0017593600000000 ] - [ -0.0002001500000000, 0.0000000000000000, -0.0019413200000000 ] - [ 0.0004991200000000, 0.0008111200000000, -0.0018606300000000 ] - [ -0.0000041600000000, -0.0000447100000000, -0.0016867900000000 ] - [ 0.0001935800000000, 0.0000000000000000, -0.0020666800000000 ] - [ 0.0002125000000000, 0.0000000000000000, -0.0024669500000000 ] - [ -0.0000856100000000, -0.0000200800000000, -0.0022761300000000 ] - [ 0.0000369300000000, 0.0000000000000000, -0.0016856600000000 ] - [ -0.0000347800000000, 0.0000444500000000, -0.0016909600000000 ] - [ -0.0000856100000000, 0.0000200800000000, -0.0022761300000000 ] - [ -0.0001743500000000, 0.0000000000000000, -0.0020070100000000 ] - [ 0.0003409200000000, 0.0001123500000000, -0.0014259900000000 ] - [ 0.0005881600000000, 0.0000000000000000, -0.0016089300000000 ] - [ 0.0000811900000000, 0.0000000000000000, -0.0018836600000000 ] - [ 0.0015437300000000, 0.0000000000000000, -0.0015498600000000 ] - [ -0.0000344500000000, 0.0002557900000000, -0.0012265100000000 ] - [ 0.0003409200000000, -0.0001123500000000, -0.0014259900000000 ] - [ 0.0001845100000000, 0.0000000000000000, -0.0009747100000000 ] - [ -0.0000344500000000, -0.0002557900000000, -0.0012265100000000 ] - [ 0.0007499400000000, 0.0000000000000000, -0.0001921700000000 ] - [ 0.0003108400000000, 0.0000000000000000, -0.0022056800000000 ] - [ -0.0008268700000000, 0.0001940700000000, -0.0000458600000000 ] - [ 0.0006488700000000, -0.0002741200000000, -0.0013657300000000 ] - [ 0.0012888000000000, 0.0013511200000000, 0.0033645700000000 ] - [ -0.0014307500000000, 0.0000000000000000, 0.0050429400000000 ] - [ -0.0127597300000000, 0.0220349900000000, -0.0188583400000000 ] - [ 0.0247595500000000, 0.0000000000000000, -0.0158844600000000 ] - [ -0.0094403800000000, -0.0082152200000000, -0.0092956800000000 ] - [ 0.0008616900000000, 0.0000000000000000, 0.0123140500000000 ] - [ 0.0031799600000000, 0.0000000000000000, 0.0044906200000000 ] - [ -0.0030472600000000, -0.0021344500000000, 0.0084559900000000 ] - [ -0.0020854000000000, 0.0000000000000000, -0.0041334300000000 ] - [ -0.0094403800000000, 0.0082152200000000, -0.0092956800000000 ] - [ -0.0041147500000000, 0.0000000000000000, 0.0021248400000000 ] - [ -0.0030472600000000, 0.0021344500000000, 0.0084559900000000 ] - [ -0.0002489700000000, 0.0000066400000000, -0.0019089400000000 ] - [ -0.0008696200000000, 0.0000000000000000, -0.0024732200000000 ] - [ -0.0028563300000000, 0.0000000000000000, 0.0020646100000000 ] - [ -0.0002489700000000, -0.0000066400000000, -0.0019089400000000 ] - [ 0.0004991200000000, -0.0008111200000000, -0.0018606300000000 ] - [ -0.0000078700000000, 0.0000000000000000, -0.0017334200000000 ] - [ -0.0000293200000000, 0.0000000000000000, -0.0022403600000000 ] - [ -0.0010317200000000, 0.0001970500000000, -0.0009517900000000 ] - [ -0.0000347800000000, -0.0000444500000000, -0.0016909600000000 ] - [ 0.0000965900000000, 0.0000000000000000, -0.0020558100000000 ] - [ 0.0000802700000000, 0.0000000000000000, -0.0020640500000000 ] - [ -0.0000986700000000, -0.0000153000000000, -0.0023784400000000 ] - [ 0.0001789000000000, 0.0000000000000000, -0.0016570600000000 ] - [ -0.0000041600000000, 0.0000447100000000, -0.0016867900000000 ] - [ -0.0000986700000000, 0.0000153000000000, -0.0023784400000000 ] - [ -0.0002131200000000, 0.0000000000000000, -0.0020658800000000 ] - [ -0.0004055300000000, 0.0000324800000000, -0.0019123700000000 ] - [ 0.0003931400000000, 0.0000000000000000, -0.0016583300000000 ] - [ 0.0000445300000000, 0.0000000000000000, -0.0019508900000000 ] - [ -0.0018686600000000, 0.0000000000000000, -0.0047313900000000 ] - [ -0.0000556700000000, 0.0002616400000000, -0.0014185900000000 ] - [ -0.0004055300000000, -0.0000324800000000, -0.0019123700000000 ] - [ 0.0001645000000000, 0.0000000000000000, -0.0016184000000000 ] - [ -0.0000556700000000, -0.0002616400000000, -0.0014185900000000 ] - [ -0.0004392600000000, 0.0000000000000000, -0.0015917500000000 ] - [ 0.0000974700000000, 0.0000000000000000, -0.0014959800000000 ] - [ 0.0006488700000000, 0.0002741200000000, -0.0013657300000000 ] - [ -0.0008268700000000, -0.0001940700000000, -0.0000458600000000 ]- atom: 60 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.1479839900000000, 0.0000000000000000, -0.0436669700000000 ] - [ 0.0060487400000000, 0.0000000000000000, -0.0071178000000000 ] - [ -0.0102230300000000, 0.0002575900000000, -0.0041082300000000 ] - [ -0.0010711000000000, 0.0000000000000000, -0.0026598300000000 ] - [ 0.0321435700000000, -0.0110190100000000, -0.0138477100000000 ] - [ 0.0012259100000000, 0.0000253800000000, 0.0000512400000000 ] - [ 0.0052208600000000, 0.0000000000000000, -0.0017729900000000 ] - [ 0.0012259100000000, -0.0000253800000000, 0.0000512400000000 ] - [ 0.0010587700000000, 0.0000000000000000, -0.0068594900000000 ] - [ -0.0001201000000000, 0.0000000000000000, 0.0006365300000000 ] - [ 0.0001040200000000, -0.0000449600000000, 0.0001217900000000 ] - [ 0.0002324100000000, 0.0000000000000000, 0.0000708800000000 ] - [ 0.0000877900000000, 0.0000000000000000, 0.0001241100000000 ] - [ 0.0000635300000000, 0.0000000000000000, 0.0002483100000000 ] - [ 0.0001040200000000, 0.0000449600000000, 0.0001217900000000 ] - [ 0.0002572900000000, 0.0000000000000000, 0.0002956500000000 ] - [ -0.0000521800000000, 0.0000443800000000, 0.0003253000000000 ] - [ -0.0028736900000000, 0.0000000000000000, 0.0001852900000000 ] - [ -0.0021328600000000, 0.0026106200000000, 0.0037843800000000 ] - [ 0.0000431300000000, 0.0000000000000000, 0.0003450300000000 ] - [ -0.0000521800000000, -0.0000443800000000, 0.0003253000000000 ] - [ 0.0002528300000000, -0.0000773100000000, -0.0018701900000000 ] - [ -0.0001964000000000, 0.0000000000000000, 0.0011780700000000 ] - [ -0.0049554900000000, 0.0000000000000000, -0.0010865700000000 ] - [ -0.0064028200000000, 0.0000000000000000, -0.0050428600000000 ] - [ -0.0128562100000000, 0.0000000000000000, 0.0010978200000000 ] - [ 0.0321435700000000, 0.0110190100000000, -0.0138477100000000 ] - [ 0.0022056900000000, 0.0000000000000000, 0.0080142300000000 ] - [ -0.0102230300000000, -0.0002575900000000, -0.0041082300000000 ] - [ -0.0010260900000000, -0.0004642500000000, 0.0009300100000000 ] - [ -0.0040491200000000, 0.0000000000000000, -0.0001844400000000 ] - [ -0.0010260900000000, 0.0004642500000000, 0.0009300100000000 ] - [ -0.0027974400000000, 0.0000000000000000, 0.0024136900000000 ] - [ 0.0001373600000000, 0.0000000000000000, 0.0003232600000000 ] - [ 0.0001276700000000, -0.0000472800000000, 0.0000338200000000 ] - [ -0.0001989000000000, 0.0000000000000000, 0.0004078200000000 ] - [ 0.0005046700000000, 0.0000000000000000, 0.0005704100000000 ] - [ -0.0000058100000000, 0.0000000000000000, 0.0002317600000000 ] - [ 0.0001276700000000, 0.0000472800000000, 0.0000338200000000 ] - [ 0.0003858200000000, 0.0000000000000000, 0.0002603900000000 ] - [ 0.0001991600000000, 0.0000893100000000, 0.0005720700000000 ] - [ 0.0057647400000000, 0.0000000000000000, 0.0017094800000000 ] - [ 0.0002528300000000, 0.0000773100000000, -0.0018701900000000 ] - [ 0.0004240500000000, 0.0000000000000000, 0.0019945400000000 ] - [ 0.0001991600000000, -0.0000893100000000, 0.0005720700000000 ] - [ -0.0021328600000000, -0.0026106200000000, 0.0037843800000000 ] - [ 0.0005993300000000, 0.0000000000000000, 0.0003298600000000 ] - [ 0.0065940300000000, 0.0000000000000000, -0.0004683800000000 ] - [ 0.0000004800000000, 0.0000000000000000, 0.0001115900000000 ] - [ -0.0000169300000000, 0.0000000000000000, 0.0003943900000000 ] - [ -0.0008564100000000, 0.0000000000000000, 0.0006775000000000 ] - [ 0.0000065200000000, 0.0000000000000000, 0.0000647600000000 ] - [ -0.0001847400000000, 0.0000000000000000, 0.0001621800000000 ] - [ 0.0000731400000000, 0.0000000000000000, 0.0003323500000000 ] - [ 0.0011327500000000, 0.0000000000000000, 0.0006004700000000 ] - [ -0.0000284300000000, 0.0000000000000000, 0.0001284900000000 ] - [ 0.0143530300000000, 0.0085288400000000, 0.0038487800000000 ] - [ 0.0024592300000000, 0.0000000000000000, 0.0040835000000000 ] - [ 0.0160545200000000, -0.0109617900000000, 0.0016595100000000 ] - [ -0.2644741000000000, 0.0000000000000000, 0.0924992800000000 ] - [ -0.0024313800000000, -0.0010482000000000, -0.0014581600000000 ] - [ -0.0031969100000000, 0.0000000000000000, -0.0020166900000000 ] - [ -0.0093334100000000, 0.0000000000000000, 0.0019731100000000 ] - [ -0.0059724000000000, 0.0042483900000000, 0.0066589300000000 ] - [ -0.0008245200000000, 0.0000000000000000, -0.0006970000000000 ] - [ -0.0024313800000000, 0.0010482000000000, -0.0014581600000000 ] - [ -0.0005200900000000, 0.0000000000000000, 0.0011138900000000 ] - [ -0.0059724000000000, -0.0042483900000000, 0.0066589300000000 ] - [ -0.0000720900000000, 0.0000420200000000, -0.0003290600000000 ] - [ -0.0001260700000000, 0.0000000000000000, -0.0003645200000000 ] - [ -0.0004138100000000, 0.0000000000000000, 0.0010413800000000 ] - [ -0.0000720900000000, -0.0000420200000000, -0.0003290600000000 ] - [ -0.0001144500000000, -0.0002339200000000, -0.0005150500000000 ] - [ -0.0000397300000000, 0.0000000000000000, -0.0002796300000000 ] - [ -0.0002020000000000, 0.0000000000000000, -0.0007073400000000 ] - [ -0.0000821900000000, 0.0001507200000000, 0.0000059400000000 ] - [ 0.0000494800000000, -0.0000464700000000, -0.0001807700000000 ] - [ 0.0001222600000000, 0.0000000000000000, -0.0005494800000000 ] - [ 0.0002100400000000, 0.0000000000000000, -0.0005373200000000 ] - [ -0.0000984800000000, -0.0000281200000000, -0.0008291700000000 ] - [ -0.0001199000000000, 0.0000000000000000, -0.0002486100000000 ] - [ -0.0000937900000000, 0.0000448200000000, -0.0001768300000000 ] - [ -0.0000984800000000, 0.0000281200000000, -0.0008291700000000 ] - [ -0.0001510400000000, 0.0000000000000000, -0.0004712500000000 ] - [ 0.0007607500000000, 0.0002008700000000, 0.0006678400000000 ] - [ 0.0006845800000000, 0.0000000000000000, -0.0000303600000000 ] - [ 0.0000869100000000, 0.0000000000000000, -0.0003618300000000 ] - [ 0.0013141900000000, 0.0000000000000000, 0.0035096100000000 ] - [ -0.0000345300000000, 0.0002070500000000, 0.0004297500000000 ] - [ 0.0007607500000000, -0.0002008700000000, 0.0006678400000000 ] - [ -0.0000844900000000, 0.0000000000000000, 0.0012141100000000 ] - [ -0.0000345300000000, -0.0002070500000000, 0.0004297500000000 ] - [ 0.0010591200000000, 0.0000000000000000, 0.0019530200000000 ] - [ 0.0007735900000000, 0.0000000000000000, -0.0006914400000000 ] - [ -0.0028895400000000, 0.0005310800000000, 0.0025451100000000 ] - [ 0.0023803800000000, -0.0005267800000000, 0.0001050200000000 ] - [ 0.0160545200000000, 0.0109617900000000, 0.0016595100000000 ] - [ 0.0134918700000000, 0.0000000000000000, -0.0273252700000000 ] - [ 0.0143530300000000, -0.0085288400000000, 0.0038487800000000 ] - [ 0.0080338500000000, 0.0000000000000000, -0.0008112000000000 ] - [ 0.0012028500000000, 0.0001351700000000, 0.0002003700000000 ] - [ 0.0028887100000000, 0.0000000000000000, 0.0029355100000000 ] - [ 0.0057388700000000, 0.0000000000000000, 0.0008153500000000 ] - [ 0.0040830600000000, 0.0002082600000000, -0.0007315600000000 ] - [ 0.0000354800000000, 0.0000000000000000, -0.0009410900000000 ] - [ 0.0012028500000000, -0.0001351700000000, 0.0002003700000000 ] - [ 0.0019383900000000, 0.0000000000000000, -0.0026536700000000 ] - [ 0.0040830600000000, -0.0002082600000000, -0.0007315600000000 ] - [ 0.0000208300000000, 0.0000280000000000, -0.0004135900000000 ] - [ 0.0005093100000000, 0.0000000000000000, -0.0003790200000000 ] - [ 0.0009940900000000, 0.0000000000000000, -0.0008010300000000 ] - [ 0.0000208300000000, -0.0000280000000000, -0.0004135900000000 ] - [ -0.0000821900000000, -0.0001507200000000, 0.0000059400000000 ] - [ -0.0000682800000000, 0.0000000000000000, -0.0002357700000000 ] - [ -0.0001445800000000, 0.0000000000000000, -0.0005986700000000 ] - [ -0.0001144500000000, 0.0002339200000000, -0.0005150500000000 ] - [ -0.0000937900000000, -0.0000448200000000, -0.0001768300000000 ] - [ 0.0001485200000000, 0.0000000000000000, -0.0005849000000000 ] - [ 0.0001225000000000, 0.0000000000000000, -0.0006457100000000 ] - [ -0.0000818400000000, -0.0000278700000000, -0.0008363600000000 ] - [ 0.0003483500000000, 0.0000000000000000, -0.0001385400000000 ] - [ 0.0000494800000000, 0.0000464700000000, -0.0001807700000000 ] - [ -0.0000818400000000, 0.0000278700000000, -0.0008363600000000 ] - [ -0.0002323300000000, 0.0000000000000000, -0.0005869100000000 ] - [ -0.0010917900000000, -0.0003024100000000, -0.0011687900000000 ] - [ 0.0001296400000000, 0.0000000000000000, -0.0002973700000000 ] - [ 0.0000408900000000, 0.0000000000000000, -0.0005324400000000 ] - [ 0.0034687700000000, 0.0000000000000000, -0.0106774800000000 ] - [ 0.0000143400000000, 0.0001554900000000, -0.0001344300000000 ] - [ -0.0010917900000000, 0.0003024100000000, -0.0011687900000000 ] - [ 0.0010721800000000, 0.0000000000000000, -0.0013063300000000 ] - [ 0.0000143400000000, -0.0001554900000000, -0.0001344300000000 ] - [ -0.0008228700000000, 0.0000000000000000, -0.0010106300000000 ] - [ -0.0002802200000000, 0.0000000000000000, 0.0006133200000000 ] - [ 0.0023803800000000, 0.0005267800000000, 0.0001050200000000 ] - [ -0.0028895400000000, -0.0005310800000000, 0.0025451100000000 ]- atom: 60 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.1390503500000000, 0.0000000000000000, 0.0407872800000000 ] - [ -0.0060263200000000, 0.0000000000000000, 0.0062391400000000 ] - [ 0.0103482800000000, -0.0001743500000000, 0.0039884700000000 ] - [ 0.0008663100000000, 0.0000000000000000, 0.0019317300000000 ] - [ -0.0322198000000000, 0.0117748500000000, 0.0143642900000000 ] - [ -0.0012657700000000, -0.0000187100000000, -0.0000222200000000 ] - [ -0.0054641500000000, 0.0000000000000000, 0.0019805200000000 ] - [ -0.0012657700000000, 0.0000187100000000, -0.0000222200000000 ] - [ -0.0011804000000000, 0.0000000000000000, 0.0069577700000000 ] - [ 0.0001129300000000, 0.0000000000000000, -0.0006793500000000 ] - [ 0.0000917300000000, -0.0001026800000000, -0.0008576300000000 ] - [ -0.0001392600000000, 0.0000000000000000, -0.0004855700000000 ] - [ 0.0005225900000000, 0.0000000000000000, -0.0003445000000000 ] - [ -0.0000069200000000, 0.0000000000000000, -0.0009017600000000 ] - [ 0.0000917300000000, 0.0001026800000000, -0.0008576300000000 ] - [ 0.0004518700000000, 0.0000000000000000, -0.0006217400000000 ] - [ 0.0001675800000000, 0.0000405100000000, -0.0003141400000000 ] - [ 0.0026205600000000, 0.0000000000000000, 0.0004144500000000 ] - [ 0.0019122600000000, -0.0023624100000000, -0.0028123600000000 ] - [ 0.0003649400000000, 0.0000000000000000, 0.0007510800000000 ] - [ 0.0001675800000000, -0.0000405100000000, -0.0003141400000000 ] - [ -0.0004924500000000, -0.0001570300000000, 0.0028184100000000 ] - [ 0.0005891500000000, 0.0000000000000000, -0.0004099200000000 ] - [ 0.0050010100000000, 0.0000000000000000, 0.0008482800000000 ] - [ 0.0066586200000000, 0.0000000000000000, 0.0056405300000000 ] - [ 0.0127231900000000, 0.0000000000000000, -0.0019080200000000 ] - [ -0.0322198000000000, -0.0117748500000000, 0.0143642900000000 ] - [ -0.0024581400000000, 0.0000000000000000, -0.0087163400000000 ] - [ 0.0103482800000000, 0.0001743500000000, 0.0039884700000000 ] - [ 0.0009860500000000, 0.0004731400000000, -0.0009179500000000 ] - [ 0.0038477700000000, 0.0000000000000000, 0.0003331000000000 ] - [ 0.0009860500000000, -0.0004731400000000, -0.0009179500000000 ] - [ 0.0025792800000000, 0.0000000000000000, -0.0023074600000000 ] - [ -0.0001422000000000, 0.0000000000000000, -0.0003625300000000 ] - [ 0.0000691400000000, -0.0001002700000000, -0.0007691000000000 ] - [ 0.0002905300000000, 0.0000000000000000, -0.0008202000000000 ] - [ 0.0000966900000000, 0.0000000000000000, -0.0007898900000000 ] - [ 0.0000615400000000, 0.0000000000000000, -0.0008853600000000 ] - [ 0.0000691400000000, 0.0001002700000000, -0.0007691000000000 ] - [ 0.0003221200000000, 0.0000000000000000, -0.0005854600000000 ] - [ -0.0000811900000000, -0.0000042500000000, -0.0005603300000000 ] - [ -0.0059624500000000, 0.0000000000000000, -0.0011333200000000 ] - [ -0.0004924500000000, 0.0001570300000000, 0.0028184100000000 ] - [ -0.0000073100000000, 0.0000000000000000, -0.0008920500000000 ] - [ -0.0000811900000000, 0.0000042500000000, -0.0005603300000000 ] - [ 0.0019122600000000, 0.0023624100000000, -0.0028123600000000 ] - [ -0.0002042400000000, 0.0000000000000000, 0.0004304700000000 ] - [ -0.0064796600000000, 0.0000000000000000, 0.0001597400000000 ] - [ -0.0001698200000000, 0.0000000000000000, -0.0005305700000000 ] - [ 0.0000741000000000, 0.0000000000000000, -0.0003573000000000 ] - [ 0.0011153700000000, 0.0000000000000000, 0.0003529200000000 ] - [ -0.0000286000000000, 0.0000000000000000, -0.0005831900000000 ] - [ 0.0000169300000000, 0.0000000000000000, -0.0005842800000000 ] - [ -0.0000156300000000, 0.0000000000000000, -0.0002954800000000 ] - [ -0.0008620600000000, 0.0000000000000000, 0.0004219100000000 ] - [ 0.0000067800000000, 0.0000000000000000, -0.0006467300000000 ] - [ -0.0141854100000000, -0.0082998500000000, -0.0036033800000000 ] - [ -0.0026769700000000, 0.0000000000000000, -0.0045560100000000 ] - [ -0.0162387800000000, 0.0110380900000000, -0.0014378700000000 ] - [ 0.2557533300000000, 0.0000000000000000, -0.0912411100000000 ] - [ 0.0021826300000000, 0.0008275700000000, 0.0007818700000000 ] - [ 0.0028434700000000, 0.0000000000000000, 0.0020349700000000 ] - [ 0.0088546800000000, 0.0000000000000000, -0.0020746400000000 ] - [ 0.0057038500000000, -0.0042946800000000, -0.0070752100000000 ] - [ -0.0000753100000000, 0.0000000000000000, -0.0000532400000000 ] - [ 0.0021826300000000, -0.0008275700000000, 0.0007818700000000 ] - [ 0.0003404300000000, 0.0000000000000000, -0.0015962600000000 ] - [ 0.0057038500000000, 0.0042946800000000, -0.0070752100000000 ] - [ 0.0000229700000000, 0.0000425400000000, 0.0002106900000000 ] - [ 0.0005211800000000, 0.0000000000000000, 0.0001939800000000 ] - [ 0.0009863700000000, 0.0000000000000000, -0.0008358300000000 ] - [ 0.0000229700000000, -0.0000425400000000, 0.0002106900000000 ] - [ 0.0000111500000000, -0.0000638700000000, 0.0005585300000000 ] - [ -0.0000642600000000, 0.0000000000000000, 0.0004042800000000 ] - [ -0.0001621700000000, 0.0000000000000000, 0.0000198000000000 ] - [ -0.0000263700000000, 0.0001468000000000, 0.0000333700000000 ] - [ -0.0000913400000000, -0.0000408700000000, 0.0004793300000000 ] - [ 0.0001430100000000, 0.0000000000000000, 0.0000611700000000 ] - [ 0.0001301800000000, 0.0000000000000000, 0.0000940300000000 ] - [ -0.0000799500000000, -0.0000332000000000, -0.0001898300000000 ] - [ 0.0003364600000000, 0.0000000000000000, 0.0005562700000000 ] - [ 0.0000508900000000, 0.0000427800000000, 0.0004757100000000 ] - [ -0.0000799500000000, 0.0000332000000000, -0.0001898300000000 ] - [ -0.0002363100000000, 0.0000000000000000, 0.0000716300000000 ] - [ -0.0007147900000000, 0.0001250100000000, -0.0002695000000000 ] - [ 0.0001308600000000, 0.0000000000000000, 0.0003180200000000 ] - [ 0.0000412800000000, 0.0000000000000000, 0.0000887800000000 ] - [ -0.0013917000000000, 0.0000000000000000, -0.0027741200000000 ] - [ 0.0000234500000000, 0.0001657800000000, 0.0004797100000000 ] - [ -0.0007147900000000, -0.0001250100000000, -0.0002695000000000 ] - [ 0.0002247300000000, 0.0000000000000000, -0.0001006700000000 ] - [ 0.0000234500000000, -0.0001657800000000, 0.0004797100000000 ] - [ -0.0009324100000000, 0.0000000000000000, -0.0012818400000000 ] - [ -0.0003707000000000, 0.0000000000000000, 0.0007633500000000 ] - [ 0.0027586800000000, -0.0002785600000000, -0.0015475600000000 ] - [ -0.0025115100000000, 0.0002751700000000, 0.0008491600000000 ] - [ -0.0162387800000000, -0.0110380900000000, -0.0014378700000000 ] - [ -0.0137639600000000, 0.0000000000000000, 0.0271048100000000 ] - [ -0.0141854100000000, 0.0082998500000000, -0.0036033800000000 ] - [ -0.0087115700000000, 0.0000000000000000, -0.0002049800000000 ] - [ -0.0014652400000000, -0.0003634600000000, -0.0008624700000000 ] - [ -0.0032890800000000, 0.0000000000000000, -0.0028833400000000 ] - [ -0.0061598800000000, 0.0000000000000000, -0.0009360700000000 ] - [ -0.0042427400000000, -0.0001909700000000, 0.0004162800000000 ] - [ -0.0009374100000000, 0.0000000000000000, 0.0001991000000000 ] - [ -0.0014652400000000, 0.0003634600000000, -0.0008624700000000 ] - [ -0.0021022100000000, 0.0000000000000000, 0.0022042000000000 ] - [ -0.0042427400000000, 0.0001909700000000, 0.0004162800000000 ] - [ -0.0000698900000000, 0.0000566600000000, 0.0002967900000000 ] - [ -0.0001157700000000, 0.0000000000000000, 0.0002148000000000 ] - [ -0.0004133700000000, 0.0000000000000000, 0.0010205700000000 ] - [ -0.0000698900000000, -0.0000566600000000, 0.0002967900000000 ] - [ -0.0000263700000000, -0.0001468000000000, 0.0000333700000000 ] - [ -0.0000360000000000, 0.0000000000000000, 0.0003598900000000 ] - [ -0.0002209300000000, 0.0000000000000000, -0.0000893500000000 ] - [ 0.0000111500000000, 0.0000638700000000, 0.0005585300000000 ] - [ 0.0000508900000000, -0.0000427800000000, 0.0004757100000000 ] - [ 0.0001172200000000, 0.0000000000000000, 0.0000969000000000 ] - [ 0.0002193100000000, 0.0000000000000000, 0.0002032100000000 ] - [ -0.0000971000000000, -0.0000335900000000, -0.0001828300000000 ] - [ -0.0001290200000000, 0.0000000000000000, 0.0004456200000000 ] - [ -0.0000913400000000, 0.0000408700000000, 0.0004793300000000 ] - [ -0.0000971000000000, 0.0000335900000000, -0.0001828300000000 ] - [ -0.0001553300000000, 0.0000000000000000, 0.0001864700000000 ] - [ 0.0011222700000000, 0.0006243900000000, 0.0015633000000000 ] - [ 0.0006823800000000, 0.0000000000000000, 0.0005855700000000 ] - [ 0.0000864600000000, 0.0000000000000000, 0.0002583600000000 ] - [ -0.0035440600000000, 0.0000000000000000, 0.0113112800000000 ] - [ -0.0000270000000000, 0.0002173100000000, 0.0010403500000000 ] - [ 0.0011222700000000, -0.0006243900000000, 0.0015633000000000 ] - [ -0.0009365900000000, 0.0000000000000000, 0.0023999200000000 ] - [ -0.0000270000000000, -0.0002173100000000, 0.0010403500000000 ] - [ 0.0009198500000000, 0.0000000000000000, 0.0016834600000000 ] - [ 0.0006858400000000, 0.0000000000000000, -0.0005285200000000 ] - [ -0.0025115100000000, -0.0002751700000000, 0.0008491600000000 ] - [ 0.0027586800000000, 0.0002785600000000, -0.0015475600000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003370700000000, 0.0210624100000000, 0.0004370400000000 ] - [ -0.0001144500000000, -0.0125643300000000, -0.0004173100000000 ] - [ -0.0024743000000000, 0.0002009600000000, -0.0019353300000000 ] - [ -0.0001157600000000, -0.0003310800000000, -0.0003552500000000 ] - [ -0.0167125800000000, 0.0424194600000000, 0.0213153400000000 ] - [ -0.0003093700000000, -0.0000144800000000, -0.0003277600000000 ] - [ -0.0001033600000000, -0.0055135700000000, 0.0000812100000000 ] - [ 0.0002737200000000, -0.0000224100000000, 0.0003406200000000 ] - [ -0.0000892500000000, 0.0075434500000000, 0.0000883800000000 ] - [ -0.0000028500000000, -0.0000271500000000, -0.0000231000000000 ] - [ 0.0001002700000000, -0.0000732500000000, -0.0003676200000000 ] - [ 0.0000461500000000, 0.0000134400000000, -0.0002082400000000 ] - [ 0.0003023700000000, 0.0000338300000000, -0.0001126900000000 ] - [ 0.0000282300000000, 0.0000004700000000, -0.0003291300000000 ] - [ 0.0000963300000000, 0.0000745300000000, -0.0003712500000000 ] - [ 0.0003546500000000, -0.0000029800000000, -0.0001646200000000 ] - [ 0.0000513400000000, 0.0000425900000000, -0.0000008600000000 ] - [ -0.0001183900000000, -0.0001762500000000, 0.0002937900000000 ] - [ -0.0000480600000000, 0.0002044300000000, 0.0000761000000000 ] - [ 0.0002079500000000, 0.0000418000000000, 0.0005476900000000 ] - [ 0.0000666900000000, -0.0000424300000000, 0.0000086900000000 ] - [ -0.0014786600000000, -0.0000654800000000, -0.0003883800000000 ] - [ 0.0001977800000000, -0.0000223500000000, 0.0003799700000000 ] - [ 0.0000378800000000, 0.0007198400000000, -0.0001244100000000 ] - [ 0.0001561300000000, -0.0054447700000000, 0.0002965600000000 ] - [ -0.0000695700000000, 0.0042346000000000, -0.0004076300000000 ] - [ 0.0152347600000000, 0.0402403900000000, -0.0195889400000000 ] - [ -0.0001078200000000, 0.0005513900000000, -0.0003369000000000 ] - [ 0.0026500200000000, 0.0001248000000000, 0.0018642700000000 ] - [ -0.0000367700000000, 0.0000009600000000, 0.0000241200000000 ] - [ -0.0001008900000000, 0.0002188100000000, 0.0000824000000000 ] - [ -0.0000023500000000, -0.0000042600000000, -0.0000080300000000 ] - [ -0.0000931600000000, -0.0003782200000000, 0.0000580300000000 ] - [ -0.0000027600000000, -0.0000344100000000, -0.0000234500000000 ] - [ 0.0001002100000000, -0.0000732100000000, -0.0003664000000000 ] - [ 0.0000468100000000, 0.0000139000000000, -0.0002091800000000 ] - [ 0.0003031300000000, 0.0000644000000000, -0.0001124100000000 ] - [ 0.0000284300000000, 0.0000013200000000, -0.0003291900000000 ] - [ 0.0000962100000000, 0.0000745600000000, -0.0003726900000000 ] - [ 0.0003548100000000, -0.0000036900000000, -0.0001645900000000 ] - [ 0.0000509000000000, 0.0000430600000000, -0.0000037000000000 ] - [ -0.0001376400000000, 0.0027917300000000, 0.0002798900000000 ] - [ 0.0012682800000000, 0.0001687200000000, 0.0013417200000000 ] - [ 0.0002052700000000, 0.0001205700000000, 0.0005445400000000 ] - [ 0.0000655600000000, -0.0000414900000000, 0.0000110500000000 ] - [ -0.0001655700000000, 0.0000001600000000, 0.0008652700000000 ] - [ 0.0001965200000000, -0.0000390200000000, 0.0003820200000000 ] - [ 0.0000336600000000, -0.0092897400000000, -0.0000556700000000 ] - [ -0.0000838500000000, 0.0000002100000000, -0.0002122600000000 ] - [ 0.0000289800000000, -0.0000044600000000, 0.0000168800000000 ] - [ 0.0001340600000000, 0.0000225400000000, 0.0005123500000000 ] - [ -0.0000107900000000, 0.0000037800000000, -0.0002607100000000 ] - [ -0.0000839400000000, -0.0000011700000000, -0.0002120200000000 ] - [ 0.0000288700000000, -0.0000045300000000, 0.0000170600000000 ] - [ 0.0001304300000000, -0.0003423800000000, 0.0005144600000000 ] - [ -0.0000108200000000, 0.0000037900000000, -0.0002607200000000 ] - [ 0.0114953300000000, 0.0030340000000000, 0.0019057300000000 ] - [ -0.0001022100000000, 0.0019958600000000, -0.0002627400000000 ] - [ -0.0099393200000000, 0.0041443000000000, 0.0004698200000000 ] - [ 0.0017295400000000, -0.1581631700000000, -0.0026452200000000 ] - [ -0.0007626400000000, -0.0004136600000000, 0.0004667700000000 ] - [ -0.0002033500000000, 0.0025708300000000, 0.0000265000000000 ] - [ -0.0002130400000000, 0.0396251200000000, -0.0000540400000000 ] - [ 0.0046535300000000, 0.0099049400000000, 0.0149625300000000 ] - [ -0.0004541100000000, 0.0000674200000000, -0.0003730700000000 ] - [ 0.0004934500000000, -0.0001809900000000, -0.0011363100000000 ] - [ -0.0000806300000000, 0.0014834400000000, -0.0002265200000000 ] - [ -0.0047505400000000, 0.0099074400000000, -0.0151393600000000 ] - [ -0.0000267400000000, 0.0000433100000000, -0.0000520000000000 ] - [ 0.0001965600000000, -0.0000445300000000, -0.0000830500000000 ] - [ 0.0002892500000000, -0.0009165900000000, 0.0001100400000000 ] - [ -0.0000221000000000, -0.0000410200000000, -0.0000646200000000 ] - [ -0.0000805400000000, -0.0001401300000000, 0.0000530700000000 ] - [ -0.0000517700000000, 0.0000010600000000, 0.0000631500000000 ] - [ -0.0001819500000000, 0.0000041600000000, -0.0003439500000000 ] - [ -0.0000743700000000, 0.0001538300000000, -0.0000397300000000 ] - [ -0.0000228700000000, -0.0000443600000000, 0.0001525300000000 ] - [ 0.0001324400000000, -0.0000003100000000, -0.0002428900000000 ] - [ 0.0001709200000000, -0.0000055100000000, -0.0002201000000000 ] - [ -0.0000894000000000, -0.0000308700000000, -0.0005072800000000 ] - [ 0.0001097000000000, 0.0000046100000000, 0.0001558900000000 ] - [ -0.0000202500000000, 0.0000440000000000, 0.0001484000000000 ] - [ -0.0000884400000000, 0.0000313400000000, -0.0005093200000000 ] - [ -0.0001932800000000, 0.0000028400000000, -0.0001990200000000 ] - [ 0.0000759400000000, 0.0001754800000000, 0.0001863400000000 ] - [ 0.0004064300000000, -0.0000001400000000, 0.0001453800000000 ] - [ 0.0000639800000000, -0.0000051600000000, -0.0001354500000000 ] - [ -0.0000469900000000, 0.0008458400000000, 0.0003704800000000 ] - [ 0.0000084900000000, 0.0001865500000000, 0.0004900100000000 ] - [ -0.0000383400000000, -0.0001495300000000, 0.0002154600000000 ] - [ 0.0000661600000000, 0.0007101500000000, 0.0005513200000000 ] - [ -0.0000200900000000, -0.0001858400000000, 0.0004192200000000 ] - [ 0.0000548600000000, -0.0006008700000000, 0.0003377800000000 ] - [ 0.0002024500000000, 0.0000453300000000, 0.0000388000000000 ] - [ 0.0017381000000000, 0.0012599100000000, 0.0046547400000000 ] - [ -0.0001753900000000, -0.0001032700000000, 0.0007884600000000 ] - [ 0.0098449400000000, 0.0042401600000000, -0.0002370200000000 ] - [ -0.0000508100000000, -0.0052861500000000, -0.0003136500000000 ] - [ -0.0114395800000000, 0.0029957900000000, -0.0016793100000000 ] - [ -0.0003478700000000, 0.0022755100000000, -0.0005095100000000 ] - [ -0.0000878800000000, -0.0000960800000000, -0.0003705600000000 ] - [ -0.0001958200000000, -0.0014885600000000, 0.0000101400000000 ] - [ -0.0002229900000000, -0.0015516300000000, -0.0000631300000000 ] - [ 0.0002891700000000, -0.0001635300000000, -0.0007978000000000 ] - [ -0.0004530800000000, -0.0000092900000000, -0.0003737800000000 ] - [ -0.0001744200000000, 0.0001302200000000, -0.0002987100000000 ] - [ -0.0000778500000000, -0.0000379200000000, -0.0002340000000000 ] - [ -0.0004566800000000, -0.0001844300000000, 0.0004757800000000 ] - [ -0.0000277500000000, 0.0000436400000000, -0.0000527800000000 ] - [ 0.0001970000000000, 0.0000053200000000, -0.0000830300000000 ] - [ 0.0002887800000000, 0.0000584200000000, 0.0001090600000000 ] - [ -0.0000211200000000, -0.0000407300000000, -0.0000641300000000 ] - [ -0.0000300000000000, -0.0001447500000000, 0.0000800200000000 ] - [ -0.0000517600000000, 0.0000012300000000, 0.0000631300000000 ] - [ -0.0001817300000000, 0.0000072500000000, -0.0003438000000000 ] - [ -0.0000243800000000, 0.0001588700000000, -0.0000140300000000 ] - [ -0.0000221400000000, -0.0000445500000000, 0.0001519200000000 ] - [ 0.0001324200000000, -0.0000001800000000, -0.0002428400000000 ] - [ 0.0001707500000000, -0.0000027900000000, -0.0002199700000000 ] - [ -0.0000892100000000, -0.0000309200000000, -0.0005071200000000 ] - [ 0.0001086700000000, -0.0000000400000000, 0.0001562100000000 ] - [ -0.0000196600000000, 0.0000438800000000, 0.0001480400000000 ] - [ -0.0000884000000000, 0.0000314500000000, -0.0005095400000000 ] - [ -0.0001925800000000, 0.0000018400000000, -0.0001990200000000 ] - [ -0.0003305100000000, 0.0000575200000000, 0.0003455800000000 ] - [ 0.0004074600000000, -0.0000073500000000, 0.0001456200000000 ] - [ 0.0000642200000000, -0.0000032500000000, -0.0001351400000000 ] - [ -0.0000699000000000, -0.0039935700000000, 0.0004150100000000 ] - [ -0.0000194700000000, 0.0001869900000000, 0.0004817400000000 ] - [ 0.0003770700000000, -0.0002731600000000, 0.0000605700000000 ] - [ 0.0000636600000000, -0.0000364700000000, 0.0005597100000000 ] - [ 0.0000084600000000, -0.0001857600000000, 0.0004301800000000 ] - [ 0.0000657500000000, 0.0011049500000000, 0.0003297600000000 ] - [ 0.0002008400000000, -0.0006280300000000, 0.0000352000000000 ] - [ 0.0000303300000000, 0.0001408600000000, 0.0001771400000000 ] - [ -0.0018890300000000, 0.0009896200000000, -0.0037326400000000 ]- atom: 60 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0172014500000000, 0.0000000000000000, 0.0262310700000000 ] - [ -0.0035225100000000, 0.0000000000000000, 0.0125848700000000 ] - [ 0.0000826800000000, 0.0000117300000000, 0.0048270400000000 ] - [ -0.0024191100000000, 0.0000000000000000, 0.0000634800000000 ] - [ -0.0115587900000000, 0.0174087200000000, 0.0376304500000000 ] - [ -0.0003743600000000, 0.0002385200000000, -0.0030041300000000 ] - [ 0.0044165500000000, 0.0000000000000000, -0.0044011700000000 ] - [ -0.0003743600000000, -0.0002385200000000, -0.0030041300000000 ] - [ -0.0076533500000000, 0.0000000000000000, -0.0044967800000000 ] - [ 0.0001209200000000, 0.0000000000000000, -0.0020986400000000 ] - [ 0.0000804000000000, -0.0001763300000000, -0.0022591200000000 ] - [ 0.0000963500000000, 0.0000000000000000, -0.0021436900000000 ] - [ -0.0001105100000000, 0.0000000000000000, -0.0019848900000000 ] - [ 0.0000193900000000, 0.0000000000000000, -0.0027916000000000 ] - [ 0.0000804000000000, 0.0001763300000000, -0.0022591200000000 ] - [ 0.0004499200000000, 0.0000000000000000, -0.0020139200000000 ] - [ -0.0001263400000000, -0.0000755800000000, -0.0017570200000000 ] - [ 0.0000423300000000, 0.0000000000000000, 0.0008511900000000 ] - [ 0.0029841400000000, -0.0027847400000000, -0.0013428200000000 ] - [ -0.0006067900000000, 0.0000000000000000, -0.0012548200000000 ] - [ -0.0001263400000000, 0.0000755800000000, -0.0017570200000000 ] - [ -0.0041084000000000, -0.0001086800000000, -0.0001726300000000 ] - [ 0.0005273600000000, 0.0000000000000000, -0.0012531500000000 ] - [ 0.0002834300000000, 0.0000000000000000, 0.0040516500000000 ] - [ -0.0008099400000000, 0.0000000000000000, 0.0047424200000000 ] - [ 0.0040935400000000, 0.0000000000000000, 0.0083472000000000 ] - [ -0.0115587900000000, -0.0174087200000000, 0.0376304500000000 ] - [ 0.0005866900000000, 0.0000000000000000, -0.0059547600000000 ] - [ 0.0000826800000000, -0.0000117300000000, 0.0048270400000000 ] - [ 0.0003355700000000, 0.0004302600000000, -0.0015106300000000 ] - [ 0.0003711300000000, 0.0000000000000000, 0.0010064300000000 ] - [ 0.0003355700000000, -0.0004302600000000, -0.0015106300000000 ] - [ 0.0019274200000000, 0.0000000000000000, 0.0014314900000000 ] - [ -0.0001977200000000, 0.0000000000000000, -0.0023873400000000 ] - [ -0.0000221100000000, -0.0001906400000000, -0.0023114700000000 ] - [ 0.0003533700000000, 0.0000000000000000, -0.0020927400000000 ] - [ 0.0006908300000000, 0.0000000000000000, -0.0022546800000000 ] - [ 0.0000319100000000, 0.0000000000000000, -0.0027277300000000 ] - [ -0.0000221100000000, 0.0001906400000000, -0.0023114700000000 ] - [ 0.0005154800000000, 0.0000000000000000, -0.0021029600000000 ] - [ 0.0000460900000000, -0.0001120800000000, -0.0019985300000000 ] - [ -0.0009331800000000, 0.0000000000000000, -0.0080587200000000 ] - [ -0.0041084000000000, 0.0001086800000000, -0.0001726300000000 ] - [ 0.0005632800000000, 0.0000000000000000, -0.0022915000000000 ] - [ 0.0000460900000000, 0.0001120800000000, -0.0019985300000000 ] - [ 0.0029841400000000, 0.0027847400000000, -0.0013428200000000 ] - [ -0.0000908000000000, 0.0000000000000000, -0.0018664700000000 ] - [ 0.0011231700000000, 0.0000000000000000, 0.0030396200000000 ] - [ 0.0000040900000000, 0.0000000000000000, -0.0017683800000000 ] - [ 0.0000662900000000, 0.0000000000000000, -0.0014480200000000 ] - [ 0.0004380700000000, 0.0000000000000000, -0.0002099600000000 ] - [ -0.0000135900000000, 0.0000000000000000, -0.0017901500000000 ] - [ -0.0000828200000000, 0.0000000000000000, -0.0015082300000000 ] - [ -0.0000019500000000, 0.0000000000000000, -0.0014825100000000 ] - [ 0.0003482900000000, 0.0000000000000000, -0.0016970900000000 ] - [ -0.0000065800000000, 0.0000000000000000, -0.0017911500000000 ] - [ -0.0014831300000000, -0.0010060700000000, -0.0066751100000000 ] - [ 0.0017875300000000, 0.0000000000000000, -0.0036363800000000 ] - [ 0.0020904500000000, -0.0000038300000000, -0.0059626200000000 ] - [ 0.0540356200000000, 0.0000000000000000, -0.1271505300000000 ] - [ -0.0003614000000000, -0.0000354300000000, 0.0016223400000000 ] - [ -0.0028215800000000, 0.0000000000000000, -0.0025743100000000 ] - [ -0.0002946400000000, 0.0000000000000000, -0.0112426400000000 ] - [ 0.0056220000000000, 0.0142376400000000, 0.0111309200000000 ] - [ -0.0005945900000000, 0.0000000000000000, 0.0013838900000000 ] - [ -0.0003614000000000, 0.0000354300000000, 0.0016223400000000 ] - [ 0.0016087100000000, 0.0000000000000000, 0.0027896300000000 ] - [ 0.0056220000000000, -0.0142376400000000, 0.0111309200000000 ] - [ -0.0000077800000000, 0.0000612900000000, 0.0013514400000000 ] - [ 0.0001297000000000, 0.0000000000000000, 0.0015508100000000 ] - [ 0.0007785700000000, 0.0000000000000000, 0.0019683200000000 ] - [ -0.0000077800000000, -0.0000612900000000, 0.0013514400000000 ] - [ -0.0001273200000000, 0.0000480700000000, 0.0011963500000000 ] - [ -0.0000646700000000, 0.0000000000000000, 0.0014031300000000 ] - [ -0.0002658200000000, 0.0000000000000000, 0.0009669500000000 ] - [ 0.0004088000000000, 0.0000319200000000, 0.0014639300000000 ] - [ -0.0000578300000000, -0.0000405500000000, 0.0015009000000000 ] - [ 0.0001416300000000, 0.0000000000000000, 0.0011663900000000 ] - [ 0.0002633100000000, 0.0000000000000000, 0.0013924400000000 ] - [ -0.0000981400000000, -0.0000450700000000, 0.0008771000000000 ] - [ 0.0001461500000000, 0.0000000000000000, 0.0017098600000000 ] - [ 0.0000116400000000, 0.0000420700000000, 0.0015967700000000 ] - [ -0.0000981400000000, 0.0000450700000000, 0.0008771000000000 ] - [ -0.0001637700000000, 0.0000000000000000, 0.0011827300000000 ] - [ 0.0004359300000000, 0.0001740600000000, 0.0004784300000000 ] - [ 0.0003289600000000, 0.0000000000000000, 0.0012159700000000 ] - [ 0.0001189300000000, 0.0000000000000000, 0.0011953600000000 ] - [ 0.0012591100000000, 0.0000000000000000, -0.0016313700000000 ] - [ 0.0002375900000000, 0.0001190600000000, 0.0018165000000000 ] - [ 0.0004359300000000, -0.0001740600000000, 0.0004784300000000 ] - [ 0.0016286900000000, 0.0000000000000000, 0.0026409000000000 ] - [ 0.0002375900000000, -0.0001190600000000, 0.0018165000000000 ] - [ 0.0017893300000000, 0.0000000000000000, -0.0008553000000000 ] - [ -0.0004475100000000, 0.0000000000000000, 0.0006241700000000 ] - [ 0.0035752900000000, 0.0038508000000000, 0.0056941900000000 ] - [ -0.0013424900000000, 0.0000787600000000, -0.0007251900000000 ] - [ 0.0020904500000000, 0.0000038300000000, -0.0059626200000000 ] - [ -0.0196097400000000, 0.0000000000000000, 0.0143397000000000 ] - [ -0.0014831300000000, 0.0010060700000000, -0.0066751100000000 ] - [ 0.0005571000000000, 0.0000000000000000, -0.0032134300000000 ] - [ 0.0001167000000000, -0.0000618700000000, -0.0004042700000000 ] - [ 0.0015876800000000, 0.0000000000000000, -0.0023886200000000 ] - [ -0.0002336800000000, 0.0000000000000000, -0.0035816200000000 ] - [ -0.0012316500000000, -0.0005480900000000, -0.0024768900000000 ] - [ -0.0007142800000000, 0.0000000000000000, 0.0007174900000000 ] - [ 0.0001167000000000, 0.0000618700000000, -0.0004042700000000 ] - [ -0.0019385500000000, 0.0000000000000000, 0.0013443500000000 ] - [ -0.0012316500000000, 0.0005480900000000, -0.0024768900000000 ] - [ -0.0000577000000000, 0.0000642900000000, 0.0012115600000000 ] - [ 0.0001494100000000, 0.0000000000000000, 0.0008903700000000 ] - [ -0.0001974400000000, 0.0000000000000000, 0.0006344300000000 ] - [ -0.0000577000000000, -0.0000642900000000, 0.0012115600000000 ] - [ 0.0004088000000000, -0.0000319200000000, 0.0014639300000000 ] - [ -0.0000220900000000, 0.0000000000000000, 0.0014562700000000 ] - [ -0.0001400000000000, 0.0000000000000000, 0.0009946100000000 ] - [ -0.0001273200000000, -0.0000480700000000, 0.0011963500000000 ] - [ 0.0000116400000000, -0.0000420700000000, 0.0015967700000000 ] - [ 0.0000964300000000, 0.0000000000000000, 0.0011230900000000 ] - [ 0.0001252000000000, 0.0000000000000000, 0.0013932200000000 ] - [ -0.0000709500000000, -0.0000438500000000, 0.0008857400000000 ] - [ 0.0000324000000000, 0.0000000000000000, 0.0014034300000000 ] - [ -0.0000578300000000, 0.0000405500000000, 0.0015009000000000 ] - [ -0.0000709500000000, 0.0000438500000000, 0.0008857400000000 ] - [ -0.0002181000000000, 0.0000000000000000, 0.0012340100000000 ] - [ -0.0003254100000000, 0.0005576300000000, 0.0023532500000000 ] - [ 0.0003627700000000, 0.0000000000000000, 0.0016842300000000 ] - [ 0.0000214200000000, 0.0000000000000000, 0.0012437100000000 ] - [ -0.0098942900000000, 0.0000000000000000, 0.0098150900000000 ] - [ -0.0001464500000000, 0.0002072500000000, 0.0018458100000000 ] - [ -0.0003254100000000, -0.0005576300000000, 0.0023532500000000 ] - [ -0.0015223600000000, 0.0000000000000000, 0.0025885000000000 ] - [ -0.0001464500000000, -0.0002072500000000, 0.0018458100000000 ] - [ -0.0014625400000000, 0.0000000000000000, 0.0000415700000000 ] - [ 0.0011834000000000, 0.0000000000000000, 0.0019366300000000 ] - [ -0.0013424900000000, -0.0000787600000000, -0.0007251900000000 ] - [ 0.0035752900000000, -0.0038508000000000, 0.0056941900000000 ]- atom: 60 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0172389300000000, 0.0000000000000000, -0.0253119900000000 ] - [ 0.0033930400000000, 0.0000000000000000, -0.0132848600000000 ] - [ 0.0000907100000000, 0.0000635500000000, -0.0048720600000000 ] - [ 0.0021801800000000, 0.0000000000000000, -0.0007665300000000 ] - [ 0.0111902800000000, -0.0167165400000000, -0.0374750700000000 ] - [ 0.0003367500000000, -0.0002279500000000, 0.0030163800000000 ] - [ -0.0045863000000000, 0.0000000000000000, 0.0045566000000000 ] - [ 0.0003367500000000, 0.0002279500000000, 0.0030163800000000 ] - [ 0.0074213200000000, 0.0000000000000000, 0.0046068100000000 ] - [ -0.0001255500000000, 0.0000000000000000, 0.0020537100000000 ] - [ 0.0001162500000000, 0.0000285300000000, 0.0015221800000000 ] - [ -0.0000026500000000, 0.0000000000000000, 0.0017274900000000 ] - [ 0.0007134700000000, 0.0000000000000000, 0.0017603800000000 ] - [ 0.0000372700000000, 0.0000000000000000, 0.0021360300000000 ] - [ 0.0001162500000000, -0.0000285300000000, 0.0015221800000000 ] - [ 0.0002593600000000, 0.0000000000000000, 0.0016869000000000 ] - [ 0.0002441500000000, 0.0001601300000000, 0.0017645500000000 ] - [ -0.0002877200000000, 0.0000000000000000, -0.0002744300000000 ] - [ -0.0032158200000000, 0.0030342400000000, 0.0022923100000000 ] - [ 0.0010256300000000, 0.0000000000000000, 0.0023458400000000 ] - [ 0.0002441500000000, -0.0001601300000000, 0.0017645500000000 ] - [ 0.0039125600000000, -0.0001273400000000, 0.0011118400000000 ] - [ -0.0001349200000000, 0.0000000000000000, 0.0020115500000000 ] - [ -0.0002238000000000, 0.0000000000000000, -0.0043308200000000 ] - [ 0.0010861300000000, 0.0000000000000000, -0.0041860400000000 ] - [ -0.0042261200000000, 0.0000000000000000, -0.0090780500000000 ] - [ 0.0111902800000000, 0.0167165400000000, -0.0374750700000000 ] - [ -0.0008112300000000, 0.0000000000000000, 0.0052431300000000 ] - [ 0.0000907100000000, -0.0000635500000000, -0.0048720600000000 ] - [ -0.0003721800000000, -0.0004198300000000, 0.0015289400000000 ] - [ -0.0005675700000000, 0.0000000000000000, -0.0008288500000000 ] - [ -0.0003721800000000, 0.0004198300000000, 0.0015289400000000 ] - [ -0.0021221800000000, 0.0000000000000000, -0.0012923500000000 ] - [ 0.0001921800000000, 0.0000000000000000, 0.0023411600000000 ] - [ 0.0002184500000000, 0.0000428000000000, 0.0015743300000000 ] - [ -0.0002610600000000, 0.0000000000000000, 0.0016761600000000 ] - [ -0.0000845400000000, 0.0000000000000000, 0.0020294300000000 ] - [ 0.0000249000000000, 0.0000000000000000, 0.0020716100000000 ] - [ 0.0002184500000000, -0.0000428000000000, 0.0015743300000000 ] - [ 0.0001943100000000, 0.0000000000000000, 0.0017756200000000 ] - [ 0.0000706400000000, 0.0001967900000000, 0.0020075000000000 ] - [ 0.0006968300000000, 0.0000000000000000, 0.0086937700000000 ] - [ 0.0039125600000000, 0.0001273400000000, 0.0011118400000000 ] - [ -0.0001508500000000, 0.0000000000000000, 0.0033882400000000 ] - [ 0.0000706400000000, -0.0001967900000000, 0.0020075000000000 ] - [ -0.0032158200000000, -0.0030342400000000, 0.0022923100000000 ] - [ 0.0004866200000000, 0.0000000000000000, 0.0026281200000000 ] - [ -0.0010533000000000, 0.0000000000000000, -0.0033512600000000 ] - [ -0.0001715800000000, 0.0000000000000000, 0.0013448300000000 ] - [ -0.0000087000000000, 0.0000000000000000, 0.0014831900000000 ] - [ -0.0001760200000000, 0.0000000000000000, 0.0012311000000000 ] - [ -0.0000079200000000, 0.0000000000000000, 0.0012700900000000 ] - [ -0.0000851500000000, 0.0000000000000000, 0.0010853900000000 ] - [ 0.0000598600000000, 0.0000000000000000, 0.0015178300000000 ] - [ -0.0000862800000000, 0.0000000000000000, 0.0027271000000000 ] - [ -0.0000151800000000, 0.0000000000000000, 0.0012714100000000 ] - [ 0.0014316300000000, 0.0010664000000000, 0.0068917700000000 ] - [ -0.0019816800000000, 0.0000000000000000, 0.0030959300000000 ] - [ -0.0020479100000000, -0.0001008900000000, 0.0061824400000000 ] - [ -0.0534043300000000, 0.0000000000000000, 0.1249808400000000 ] - [ 0.0000943200000000, -0.0001923200000000, -0.0022900500000000 ] - [ 0.0024214100000000, 0.0000000000000000, 0.0025755900000000 ] - [ -0.0001514100000000, 0.0000000000000000, 0.0111400500000000 ] - [ -0.0056914300000000, -0.0139740400000000, -0.0112704100000000 ] - [ -0.0003102000000000, 0.0000000000000000, -0.0021291800000000 ] - [ 0.0000943200000000, 0.0001923200000000, -0.0022900500000000 ] - [ -0.0017638200000000, 0.0000000000000000, -0.0032343000000000 ] - [ -0.0056914300000000, 0.0139740400000000, -0.0112704100000000 ] - [ -0.0000405100000000, 0.0000232500000000, -0.0014703300000000 ] - [ 0.0002656100000000, 0.0000000000000000, -0.0017197900000000 ] - [ -0.0001978900000000, 0.0000000000000000, -0.0017518200000000 ] - [ -0.0000405100000000, -0.0000232500000000, -0.0014703300000000 ] - [ 0.0000213900000000, -0.0003468800000000, -0.0011581700000000 ] - [ -0.0000388800000000, 0.0000000000000000, -0.0012802600000000 ] - [ -0.0000986300000000, 0.0000000000000000, -0.0016573500000000 ] - [ -0.0005127300000000, 0.0002669200000000, -0.0014242300000000 ] - [ 0.0000162500000000, -0.0000469000000000, -0.0012020000000000 ] - [ 0.0001225900000000, 0.0000000000000000, -0.0016543700000000 ] - [ 0.0000789500000000, 0.0000000000000000, -0.0018345700000000 ] - [ -0.0000792400000000, -0.0000178400000000, -0.0018958200000000 ] - [ 0.0000721100000000, 0.0000000000000000, -0.0013999500000000 ] - [ -0.0000539900000000, 0.0000457100000000, -0.0012984700000000 ] - [ -0.0000792400000000, 0.0000178400000000, -0.0018958200000000 ] - [ -0.0002237400000000, 0.0000000000000000, -0.0015825000000000 ] - [ -0.0003978100000000, 0.0001504200000000, -0.0000692000000000 ] - [ 0.0004853100000000, 0.0000000000000000, -0.0009242700000000 ] - [ 0.0000090400000000, 0.0000000000000000, -0.0014672400000000 ] - [ -0.0013528500000000, 0.0000000000000000, 0.0023982700000000 ] - [ -0.0002502400000000, 0.0002535200000000, -0.0009070600000000 ] - [ -0.0003978100000000, -0.0001504200000000, -0.0000692000000000 ] - [ -0.0015042100000000, 0.0000000000000000, -0.0015412300000000 ] - [ -0.0002502400000000, -0.0002535200000000, -0.0009070600000000 ] - [ -0.0016832700000000, 0.0000000000000000, 0.0015463600000000 ] - [ 0.0008543400000000, 0.0000000000000000, -0.0005393600000000 ] - [ -0.0037571300000000, -0.0036636200000000, -0.0048021800000000 ] - [ 0.0012121300000000, -0.0003277100000000, 0.0017016600000000 ] - [ -0.0020479100000000, 0.0001008900000000, 0.0061824400000000 ] - [ 0.0191028400000000, 0.0000000000000000, -0.0146856300000000 ] - [ 0.0014316300000000, -0.0010664000000000, 0.0068917700000000 ] - [ -0.0012388000000000, 0.0000000000000000, 0.0021909400000000 ] - [ -0.0003792800000000, -0.0001647300000000, -0.0002701100000000 ] - [ -0.0019723700000000, 0.0000000000000000, 0.0023970900000000 ] - [ -0.0002039400000000, 0.0000000000000000, 0.0034568400000000 ] - [ 0.0010599300000000, 0.0005591600000000, 0.0021362200000000 ] - [ -0.0001901700000000, 0.0000000000000000, -0.0014653100000000 ] - [ -0.0003792800000000, 0.0001647300000000, -0.0002701100000000 ] - [ 0.0017679700000000, 0.0000000000000000, -0.0017997100000000 ] - [ 0.0010599300000000, -0.0005591600000000, 0.0021362200000000 ] - [ 0.0000091800000000, 0.0000202700000000, -0.0013310500000000 ] - [ 0.0002464700000000, 0.0000000000000000, -0.0010614200000000 ] - [ 0.0007757000000000, 0.0000000000000000, -0.0004244500000000 ] - [ 0.0000091800000000, -0.0000202700000000, -0.0013310500000000 ] - [ -0.0005127300000000, -0.0002669200000000, -0.0014242300000000 ] - [ -0.0000815200000000, 0.0000000000000000, -0.0013333700000000 ] - [ -0.0002238900000000, 0.0000000000000000, -0.0016847300000000 ] - [ 0.0000213900000000, 0.0003468800000000, -0.0011581700000000 ] - [ -0.0000539900000000, -0.0000457100000000, -0.0012984700000000 ] - [ 0.0001677600000000, 0.0000000000000000, -0.0016109100000000 ] - [ 0.0002164800000000, 0.0000000000000000, -0.0018347200000000 ] - [ -0.0001062700000000, -0.0000191900000000, -0.0019048200000000 ] - [ 0.0001865300000000, 0.0000000000000000, -0.0010916200000000 ] - [ 0.0000162500000000, 0.0000469000000000, -0.0012020000000000 ] - [ -0.0001062700000000, 0.0000191900000000, -0.0019048200000000 ] - [ -0.0001681600000000, 0.0000000000000000, -0.0016345400000000 ] - [ 0.0003671300000000, -0.0002350100000000, -0.0019546100000000 ] - [ 0.0004512600000000, 0.0000000000000000, -0.0013949000000000 ] - [ 0.0001072500000000, 0.0000000000000000, -0.0015160000000000 ] - [ 0.0099279000000000, 0.0000000000000000, -0.0091816600000000 ] - [ 0.0001358800000000, 0.0001649600000000, -0.0009362900000000 ] - [ 0.0003671300000000, 0.0002350100000000, -0.0019546100000000 ] - [ 0.0016662000000000, 0.0000000000000000, -0.0014879100000000 ] - [ 0.0001358800000000, -0.0001649600000000, -0.0009362900000000 ] - [ 0.0015818400000000, 0.0000000000000000, 0.0006453400000000 ] - [ -0.0007854300000000, 0.0000000000000000, -0.0018588200000000 ] - [ 0.0012121300000000, 0.0003277100000000, 0.0017016600000000 ] - [ -0.0037571300000000, 0.0036636200000000, -0.0048021800000000 ]- atom: 61 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0005899700000000, 0.0004478600000000, 0.0012915600000000 ] - [ -0.0012210600000000, -0.0022834300000000, 0.0028168600000000 ] - [ -0.0032373500000000, 0.0000803900000000, 0.0002862200000000 ] - [ -0.0112738400000000, 0.0011576600000000, 0.0024880900000000 ] - [ 0.0076285300000000, 0.0008147500000000, -0.0028299200000000 ] - [ 0.0275356600000000, 0.0032754700000000, 0.0048542300000000 ] - [ 0.0317228300000000, 0.0244999000000000, -0.0115610800000000 ] - [ 0.0075952200000000, -0.0009489800000000, -0.0039699500000000 ] - [ -0.0025445200000000, 0.0035579000000000, 0.0106028500000000 ] - [ -0.0004500200000000, 0.0012877600000000, 0.0023789400000000 ] - [ 0.0004243000000000, -0.0000494900000000, -0.0001116800000000 ] - [ 0.0001199600000000, 0.0000006300000000, -0.0005397300000000 ] - [ -0.0039886800000000, 0.0000299000000000, -0.0012871200000000 ] - [ -0.0001290500000000, 0.0000109800000000, -0.0007798900000000 ] - [ 0.0005536800000000, 0.0000492400000000, 0.0000856600000000 ] - [ -0.0005722800000000, 0.0001261500000000, 0.0000195900000000 ] - [ 0.0000842300000000, 0.0000209300000000, -0.0002765800000000 ] - [ -0.0004154900000000, -0.0000168600000000, -0.0000580800000000 ] - [ -0.0002606900000000, 0.0001339500000000, 0.0004102500000000 ] - [ 0.0002309900000000, -0.0000005300000000, 0.0001503800000000 ] - [ 0.0000859500000000, -0.0000208200000000, -0.0002765800000000 ] - [ 0.0000842400000000, -0.0000856700000000, -0.0000968400000000 ] - [ 0.0001563300000000, 0.0000002300000000, 0.0001210200000000 ] - [ -0.0005151800000000, 0.0000543900000000, -0.0005974300000000 ] - [ -0.0008496300000000, -0.0002080700000000, -0.0010422100000000 ] - [ -0.0030981900000000, 0.0001353300000000, -0.0031582800000000 ] - [ 0.0061631800000000, -0.0005268600000000, -0.0026973300000000 ] - [ 0.0561844600000000, 0.0580290600000000, 0.0214413800000000 ] - [ -0.0027615500000000, -0.0000741400000000, 0.0005577800000000 ] - [ -0.0048130700000000, -0.0012676700000000, 0.0055675800000000 ] - [ -0.0087597900000000, 0.0001418000000000, -0.0016465000000000 ] - [ -0.0082062200000000, 0.0011403000000000, 0.0050490200000000 ] - [ -0.0058859400000000, 0.0026710700000000, -0.0047319300000000 ] - [ -0.0003013300000000, -0.0001206600000000, -0.0025938200000000 ] - [ -0.0003326900000000, -0.0001502000000000, -0.0012250600000000 ] - [ 0.0000276500000000, 0.0000003500000000, -0.0004348500000000 ] - [ 0.0054064700000000, -0.0020692100000000, 0.0036383400000000 ] - [ 0.0001786100000000, 0.0000027600000000, -0.0005913300000000 ] - [ -0.0003806800000000, 0.0001534200000000, -0.0012587600000000 ] - [ 0.0013787200000000, -0.0000556600000000, -0.0009685900000000 ] - [ 0.0000047600000000, 0.0000175100000000, -0.0002737900000000 ] - [ 0.0001158100000000, -0.0000050100000000, 0.0000954600000000 ] - [ 0.0000809000000000, 0.0000855000000000, -0.0000719600000000 ] - [ 0.0001887800000000, -0.0000011600000000, 0.0002771600000000 ] - [ 0.0000063000000000, -0.0000173100000000, -0.0002722000000000 ] - [ -0.0002400800000000, -0.0001335500000000, 0.0004538200000000 ] - [ 0.0002353800000000, 0.0000003600000000, 0.0000490100000000 ] - [ 0.0004722400000000, 0.0000206600000000, -0.0000736200000000 ] - [ 0.0012844600000000, 0.0003364700000000, -0.0021496200000000 ] - [ -0.0000011800000000, -0.0000035600000000, -0.0000849000000000 ] - [ 0.0000596800000000, -0.0000009800000000, 0.0002730500000000 ] - [ 0.0002066900000000, 0.0000059600000000, -0.0006029200000000 ] - [ -0.0015025300000000, -0.0001901700000000, 0.0005779900000000 ] - [ 0.0000588000000000, -0.0000035600000000, -0.0003226400000000 ] - [ 0.0001973500000000, -0.0000023000000000, 0.0003069400000000 ] - [ -0.0002213800000000, -0.0000123200000000, -0.0003712900000000 ] - [ 0.0010335800000000, -0.0003413600000000, -0.0013111600000000 ] - [ 0.0023840700000000, 0.0001397700000000, -0.0020372500000000 ] - [ 0.0003720100000000, -0.0005079200000000, 0.0016685200000000 ] - [ -0.0026517800000000, -0.0006274300000000, -0.0004087400000000 ] - [ -0.1610873100000000, -0.0982142400000000, -0.0281728400000000 ] - [ -0.0034337500000000, -0.0056814600000000, 0.0086625200000000 ] - [ -0.0023493500000000, 0.0006639100000000, -0.0007805500000000 ] - [ 0.0021613100000000, 0.0021551500000000, -0.0168237100000000 ] - [ -0.0021665500000000, 0.0057105000000000, 0.0086377100000000 ] - [ -0.0106885900000000, 0.0047915900000000, -0.0020480200000000 ] - [ 0.0204238200000000, 0.0139404200000000, -0.0004908900000000 ] - [ -0.0033969900000000, 0.0002298500000000, -0.0027333600000000 ] - [ -0.0001191300000000, 0.0002339600000000, 0.0012696700000000 ] - [ -0.0038169700000000, -0.0012708200000000, 0.0029560600000000 ] - [ 0.0193537700000000, -0.0194769100000000, 0.0008371500000000 ] - [ -0.0002176400000000, -0.0001857700000000, 0.0010291200000000 ] - [ 0.0009382400000000, -0.0010884700000000, -0.0055913900000000 ] - [ -0.0001283200000000, -0.0000389300000000, -0.0000857000000000 ] - [ -0.0011241200000000, -0.0002010200000000, -0.0007779800000000 ] - [ 0.0022111600000000, 0.0001809900000000, 0.0028071900000000 ] - [ -0.0000446600000000, -0.0000438600000000, 0.0002995300000000 ] - [ 0.0002562500000000, -0.0000148500000000, 0.0002250000000000 ] - [ 0.0010955800000000, -0.0000271100000000, 0.0005357700000000 ] - [ -0.0004111500000000, -0.0000325500000000, -0.0003620500000000 ] - [ 0.0001079500000000, -0.0000001600000000, 0.0003675500000000 ] - [ 0.0000035700000000, 0.0000409400000000, 0.0004187000000000 ] - [ -0.0003893300000000, 0.0000336200000000, -0.0003505200000000 ] - [ -0.0002482500000000, -0.0000007400000000, 0.0000169600000000 ] - [ 0.0000806200000000, 0.0001709200000000, 0.0004919700000000 ] - [ 0.0004034500000000, 0.0000000700000000, 0.0003518800000000 ] - [ 0.0000214100000000, 0.0000004500000000, 0.0000826000000000 ] - [ 0.0001098700000000, 0.0000424700000000, 0.0011094300000000 ] - [ -0.0000190900000000, 0.0001785200000000, 0.0006792200000000 ] - [ 0.0000727100000000, -0.0001693800000000, 0.0004922900000000 ] - [ 0.0000008600000000, -0.0000012400000000, 0.0008091500000000 ] - [ -0.0000194400000000, -0.0001783900000000, 0.0006802500000000 ] - [ 0.0000580100000000, -0.0000219800000000, 0.0007563800000000 ] - [ 0.0002644400000000, 0.0000038300000000, 0.0002182300000000 ] - [ -0.0003332800000000, 0.0001037600000000, 0.0006089000000000 ] - [ 0.0001832100000000, -0.0000978900000000, 0.0006440200000000 ] - [ 0.0009182500000000, 0.0006896900000000, 0.0024621900000000 ] - [ -0.0011118000000000, 0.0050990500000000, 0.0093466100000000 ] - [ 0.0001878800000000, 0.0001293700000000, -0.0004927800000000 ] - [ 0.0009924300000000, 0.0000435800000000, -0.0004598200000000 ] - [ 0.0079167800000000, 0.0015321800000000, 0.0001644200000000 ] - [ 0.0032034800000000, -0.0000671700000000, -0.0016954200000000 ] - [ 0.0010550600000000, -0.0000399600000000, 0.0003399300000000 ] - [ 0.0025909000000000, 0.0000942600000000, 0.0011725900000000 ] - [ 0.0021024900000000, 0.0001857300000000, -0.0026166800000000 ] - [ 0.0055343300000000, -0.0011484300000000, -0.0000974900000000 ] - [ 0.0145804600000000, 0.0075244800000000, -0.0017213500000000 ] - [ 0.0028220000000000, 0.0000039800000000, 0.0013252500000000 ] - [ 0.0005366900000000, -0.0001024800000000, -0.0011881700000000 ] - [ 0.0029992300000000, -0.0001707700000000, -0.0015105300000000 ] - [ 0.0081652800000000, -0.0047149700000000, -0.0024079400000000 ] - [ 0.0002637800000000, -0.0000181600000000, -0.0006561300000000 ] - [ 0.0020020000000000, -0.0001134200000000, 0.0028756500000000 ] - [ 0.0000273500000000, 0.0000281700000000, 0.0006621900000000 ] - [ 0.0005578800000000, 0.0000247800000000, 0.0004164200000000 ] - [ -0.0012964200000000, 0.0004011800000000, -0.0021750200000000 ] - [ 0.0000071100000000, -0.0000414200000000, 0.0004157500000000 ] - [ 0.0000116900000000, 0.0000173700000000, -0.0002896600000000 ] - [ -0.0008957400000000, 0.0001781300000000, -0.0005807900000000 ] - [ 0.0002468500000000, -0.0000330700000000, -0.0002939000000000 ] - [ 0.0001108700000000, -0.0000000500000000, 0.0003520800000000 ] - [ -0.0000445200000000, 0.0000438900000000, 0.0003010000000000 ] - [ 0.0002080500000000, 0.0000246500000000, -0.0002513700000000 ] - [ -0.0001426600000000, -0.0000015700000000, -0.0000009800000000 ] - [ -0.0000271300000000, 0.0001610400000000, 0.0003229000000000 ] - [ 0.0003909100000000, 0.0000003100000000, 0.0003414000000000 ] - [ 0.0001060600000000, 0.0000007700000000, 0.0000459400000000 ] - [ -0.0001625900000000, -0.0000325700000000, 0.0002588000000000 ] - [ 0.0000164100000000, 0.0001772400000000, 0.0006300600000000 ] - [ -0.0000258700000000, -0.0001610000000000, 0.0003270600000000 ] - [ 0.0001165100000000, -0.0000028900000000, 0.0006982300000000 ] - [ 0.0000163200000000, -0.0001770400000000, 0.0006309000000000 ] - [ -0.0000020900000000, 0.0000159100000000, 0.0003008300000000 ] - [ 0.0001293100000000, 0.0000022400000000, 0.0003036500000000 ] - [ 0.0002079900000000, 0.0001062400000000, 0.0005928300000000 ] - [ -0.0003053900000000, -0.0000980100000000, 0.0006329700000000 ]- atom: 61 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0002947600000000, -0.0004496100000000, -0.0007079100000000 ] - [ 0.0011177500000000, 0.0022961100000000, -0.0036015200000000 ] - [ 0.0034041400000000, -0.0000014300000000, -0.0003438000000000 ] - [ 0.0110278600000000, -0.0011413300000000, -0.0031741500000000 ] - [ -0.0074728200000000, -0.0009003800000000, 0.0027138300000000 ] - [ -0.0258387600000000, -0.0031845300000000, -0.0032307600000000 ] - [ -0.0320717200000000, -0.0241650600000000, 0.0115696500000000 ] - [ -0.0075373700000000, 0.0009300100000000, 0.0039624000000000 ] - [ 0.0024102400000000, -0.0035709200000000, -0.0104388600000000 ] - [ 0.0004374700000000, -0.0012896300000000, -0.0024331200000000 ] - [ -0.0002307000000000, -0.0000984900000000, -0.0006318300000000 ] - [ -0.0000264200000000, -0.0000005200000000, 0.0001195600000000 ] - [ 0.0046058700000000, -0.0000305900000000, 0.0010507500000000 ] - [ 0.0001866100000000, -0.0000109600000000, 0.0001180500000000 ] - [ -0.0003604100000000, 0.0000990200000000, -0.0008297600000000 ] - [ 0.0012821500000000, -0.0001262700000000, -0.0003548600000000 ] - [ 0.0000322800000000, 0.0000635000000000, 0.0002813600000000 ] - [ 0.0001723600000000, 0.0000170900000000, 0.0006452100000000 ] - [ 0.0000440400000000, 0.0001014600000000, 0.0005371600000000 ] - [ 0.0001824000000000, 0.0000007900000000, 0.0009395000000000 ] - [ 0.0000305300000000, -0.0000633100000000, 0.0002811600000000 ] - [ -0.0003029500000000, -0.0001493300000000, 0.0010429300000000 ] - [ 0.0002376100000000, -0.0000002600000000, 0.0006373200000000 ] - [ 0.0005776400000000, -0.0000543300000000, 0.0003486600000000 ] - [ 0.0011269000000000, 0.0002061300000000, 0.0016261500000000 ] - [ 0.0029447700000000, -0.0001287900000000, 0.0023928700000000 ] - [ -0.0059895100000000, 0.0006136700000000, 0.0026020700000000 ] - [ -0.0572011300000000, -0.0604534500000000, -0.0228835500000000 ] - [ 0.0029235800000000, -0.0000047800000000, -0.0006174000000000 ] - [ 0.0047762700000000, 0.0012939200000000, -0.0055896900000000 ] - [ 0.0085843000000000, -0.0001453500000000, 0.0018520900000000 ] - [ 0.0081994400000000, -0.0011663400000000, -0.0050742100000000 ] - [ 0.0056718000000000, -0.0027137200000000, 0.0049155700000000 ] - [ 0.0003192400000000, 0.0001232600000000, 0.0025486500000000 ] - [ 0.0005338300000000, 0.0000028900000000, 0.0004820200000000 ] - [ 0.0000655700000000, -0.0000003600000000, 0.0000145900000000 ] - [ -0.0048329800000000, 0.0020737700000000, -0.0038775900000000 ] - [ -0.0001229000000000, -0.0000024900000000, -0.0000703300000000 ] - [ 0.0005822000000000, -0.0000058200000000, 0.0005159800000000 ] - [ -0.0006728000000000, 0.0000562500000000, 0.0006405400000000 ] - [ 0.0001120800000000, 0.0000668900000000, 0.0002784100000000 ] - [ -0.0003570000000000, 0.0000052700000000, 0.0004897300000000 ] - [ -0.0002994300000000, 0.0001497900000000, 0.0010182800000000 ] - [ 0.0002252200000000, 0.0000013600000000, 0.0008127000000000 ] - [ 0.0001106100000000, -0.0000667900000000, 0.0002767300000000 ] - [ 0.0000232800000000, -0.0001015700000000, 0.0004933700000000 ] - [ 0.0001585300000000, -0.0000002000000000, 0.0007091200000000 ] - [ -0.0004067700000000, -0.0000206300000000, -0.0001824900000000 ] - [ -0.0014554200000000, -0.0003445400000000, 0.0017426500000000 ] - [ 0.0000585000000000, -0.0000030900000000, 0.0001163200000000 ] - [ 0.0002036400000000, -0.0000053300000000, 0.0007504500000000 ] - [ -0.0002290000000000, 0.0000010200000000, 0.0000796400000000 ] - [ 0.0013352600000000, 0.0001849700000000, -0.0010081600000000 ] - [ -0.0000012100000000, -0.0000031800000000, 0.0003548600000000 ] - [ 0.0000663800000000, -0.0000039700000000, 0.0007161300000000 ] - [ 0.0001999800000000, 0.0000194600000000, -0.0001534900000000 ] - [ -0.0010583500000000, 0.0004169300000000, 0.0015261200000000 ] - [ -0.0025953700000000, -0.0001433100000000, 0.0014913400000000 ] - [ -0.0003772200000000, 0.0004335700000000, -0.0014498400000000 ] - [ 0.0019629000000000, 0.0006283400000000, -0.0006135200000000 ] - [ 0.1595511600000000, 0.1001808900000000, 0.0268046800000000 ] - [ 0.0031122000000000, 0.0056744500000000, -0.0086227700000000 ] - [ 0.0019054800000000, -0.0006633400000000, 0.0006531800000000 ] - [ -0.0023931200000000, -0.0021384200000000, 0.0163989100000000 ] - [ 0.0011993700000000, -0.0057335600000000, -0.0094058900000000 ] - [ 0.0104314400000000, -0.0045597100000000, 0.0013676400000000 ] - [ -0.0202760500000000, -0.0136630600000000, 0.0000427600000000 ] - [ 0.0032041800000000, -0.0002483000000000, 0.0024003900000000 ] - [ 0.0000659500000000, -0.0001484600000000, -0.0013863300000000 ] - [ 0.0041890500000000, 0.0012837500000000, -0.0031497400000000 ] - [ -0.0184777200000000, 0.0191375400000000, -0.0005691900000000 ] - [ 0.0001653400000000, 0.0001005100000000, -0.0011439200000000 ] - [ -0.0010440400000000, 0.0008001600000000, 0.0056772700000000 ] - [ 0.0000251400000000, 0.0000391600000000, 0.0002165800000000 ] - [ 0.0007631300000000, 0.0002018500000000, 0.0000990000000000 ] - [ -0.0023270900000000, 0.0001145900000000, -0.0027483600000000 ] - [ 0.0000041100000000, -0.0000413400000000, 0.0000062100000000 ] - [ 0.0000088600000000, 0.0000150400000000, -0.0007091400000000 ] - [ -0.0007572600000000, 0.0000273400000000, -0.0009696000000000 ] - [ 0.0002331000000000, -0.0000278700000000, -0.0006523800000000 ] - [ 0.0001101700000000, 0.0000003700000000, -0.0000557600000000 ] - [ -0.0000452900000000, 0.0000449100000000, -0.0001133900000000 ] - [ 0.0002115300000000, 0.0000268900000000, -0.0006635500000000 ] - [ -0.0001412600000000, 0.0000007200000000, -0.0004107400000000 ] - [ -0.0000393100000000, 0.0001555400000000, -0.0000868900000000 ] - [ 0.0004106300000000, 0.0000000600000000, -0.0000584500000000 ] - [ 0.0001066300000000, -0.0000001700000000, -0.0003520100000000 ] - [ -0.0001969900000000, -0.0000420800000000, -0.0003641400000000 ] - [ 0.0000073700000000, 0.0001943800000000, 0.0002335800000000 ] - [ -0.0000314500000000, -0.0001570300000000, -0.0000873100000000 ] - [ 0.0001318300000000, 0.0000013400000000, 0.0003003300000000 ] - [ 0.0000076200000000, -0.0001942400000000, 0.0002325200000000 ] - [ 0.0000570500000000, 0.0000220300000000, -0.0000820400000000 ] - [ 0.0001384000000000, -0.0000037000000000, -0.0001372100000000 ] - [ 0.0001942900000000, 0.0001445700000000, 0.0003544400000000 ] - [ -0.0003223300000000, -0.0001506400000000, 0.0003166400000000 ] - [ -0.0009230900000000, -0.0006156100000000, -0.0022392700000000 ] - [ 0.0009757500000000, -0.0051177100000000, -0.0098804000000000 ] - [ -0.0002099800000000, -0.0002039800000000, 0.0007031200000000 ] - [ -0.0016755500000000, -0.0000429600000000, -0.0005732200000000 ] - [ -0.0081787600000000, -0.0017577700000000, -0.0008404600000000 ] - [ -0.0035987400000000, 0.0000704700000000, 0.0016963100000000 ] - [ -0.0014930200000000, 0.0000396600000000, -0.0004802900000000 ] - [ -0.0027507000000000, -0.0000814400000000, -0.0015254200000000 ] - [ -0.0030118000000000, -0.0001845700000000, 0.0018937300000000 ] - [ -0.0057993400000000, 0.0013746000000000, -0.0005772800000000 ] - [ -0.0149017700000000, -0.0076445100000000, 0.0012711900000000 ] - [ -0.0029892400000000, -0.0000182700000000, -0.0016786000000000 ] - [ -0.0005850100000000, 0.0001879900000000, 0.0010824900000000 ] - [ -0.0026071600000000, 0.0001705100000000, 0.0013604600000000 ] - [ -0.0076567000000000, 0.0047822400000000, 0.0026451600000000 ] - [ -0.0003109700000000, -0.0000669600000000, 0.0005488900000000 ] - [ -0.0021257600000000, -0.0001828400000000, -0.0028129700000000 ] - [ -0.0001329900000000, -0.0000281500000000, -0.0005339200000000 ] - [ -0.0009271700000000, -0.0000248500000000, -0.0010940400000000 ] - [ 0.0012039600000000, -0.0001072500000000, 0.0022325900000000 ] - [ -0.0000480600000000, -0.0000441400000000, -0.0001103900000000 ] - [ 0.0002560400000000, -0.0000172100000000, -0.0001930100000000 ] - [ 0.0012416400000000, -0.0001785700000000, 0.0001438500000000 ] - [ -0.0004268000000000, -0.0000275100000000, -0.0007191500000000 ] - [ 0.0001075100000000, 0.0000001900000000, -0.0000400500000000 ] - [ 0.0000033600000000, 0.0000420000000000, 0.0000039600000000 ] - [ -0.0003873400000000, 0.0000361300000000, -0.0007615200000000 ] - [ -0.0002466300000000, 0.0000016800000000, -0.0003926200000000 ] - [ 0.0000676400000000, 0.0001653100000000, 0.0000822900000000 ] - [ 0.0004229100000000, -0.0000001300000000, -0.0000478200000000 ] - [ 0.0000219000000000, -0.0000006500000000, -0.0003152300000000 ] - [ 0.0000726000000000, 0.0000329000000000, 0.0004858000000000 ] - [ -0.0000285800000000, 0.0001955000000000, 0.0002825600000000 ] - [ 0.0000664000000000, -0.0001652800000000, 0.0000780500000000 ] - [ 0.0000155700000000, 0.0000030700000000, 0.0004106600000000 ] - [ -0.0000283500000000, -0.0001955800000000, 0.0002818600000000 ] - [ 0.0001146400000000, -0.0000157600000000, 0.0003739900000000 ] - [ 0.0002739600000000, -0.0000020900000000, -0.0002220300000000 ] - [ -0.0003472600000000, 0.0001425400000000, 0.0003681100000000 ] - [ 0.0001665500000000, -0.0001499500000000, 0.0003302100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001670500000000, 0.0002340100000000, 0.0007315000000000 ] - [ -0.0006895400000000, -0.0009738700000000, 0.0004774200000000 ] - [ -0.0005912000000000, 0.0004020500000000, -0.0002574700000000 ] - [ -0.0047017900000000, 0.0004987400000000, 0.0007223300000000 ] - [ 0.0015512900000000, 0.0039746800000000, 0.0005517000000000 ] - [ -0.0000051600000000, 0.0202784500000000, -0.0049012600000000 ] - [ 0.0256517100000000, 0.0633867400000000, -0.0406080300000000 ] - [ 0.0019197000000000, -0.0108530800000000, 0.0015027200000000 ] - [ 0.0027600500000000, 0.0009219700000000, -0.0060143900000000 ] - [ 0.0000096900000000, 0.0003714100000000, 0.0004087700000000 ] - [ 0.0001213200000000, -0.0002710300000000, -0.0001135200000000 ] - [ 0.0000425800000000, 0.0000006100000000, -0.0000546800000000 ] - [ -0.0008264300000000, 0.0000352700000000, -0.0007665800000000 ] - [ 0.0000197700000000, 0.0000034000000000, -0.0001425900000000 ] - [ 0.0001588100000000, 0.0002696200000000, -0.0000591900000000 ] - [ 0.0001566100000000, 0.0000371100000000, 0.0000321300000000 ] - [ 0.0000747900000000, 0.0000544400000000, 0.0001667500000000 ] - [ -0.0001602500000000, -0.0000083300000000, 0.0004158500000000 ] - [ -0.0001667000000000, 0.0000919900000000, 0.0006580100000000 ] - [ 0.0002171800000000, -0.0000007200000000, 0.0007263400000000 ] - [ 0.0000748200000000, -0.0000562400000000, 0.0001666900000000 ] - [ -0.0000448000000000, -0.0000967400000000, 0.0006081800000000 ] - [ 0.0001887300000000, 0.0000004300000000, 0.0005559400000000 ] - [ -0.0000106800000000, 0.0000114300000000, -0.0000860600000000 ] - [ 0.0003928100000000, 0.0000544700000000, 0.0006954000000000 ] - [ -0.0019178300000000, 0.0000542900000000, -0.0021731400000000 ] - [ 0.0004475500000000, -0.0040118900000000, -0.0002704800000000 ] - [ 0.0639200100000000, 0.1062808600000000, 0.0279470800000000 ] - [ -0.0003960400000000, -0.0004015400000000, -0.0001660500000000 ] - [ -0.0011545100000000, -0.0028925400000000, 0.0005927200000000 ] - [ -0.0025208800000000, 0.0000959100000000, -0.0019658400000000 ] - [ -0.0017533900000000, 0.0028893200000000, 0.0004243400000000 ] - [ 0.0034391900000000, -0.0001297400000000, -0.0002195200000000 ] - [ 0.0022095200000000, 0.0000968200000000, 0.0009691100000000 ] - [ 0.0000948800000000, -0.0000884800000000, -0.0003569300000000 ] - [ 0.0000201200000000, 0.0000003700000000, -0.0000374900000000 ] - [ -0.0013462900000000, -0.0009433600000000, 0.0041161300000000 ] - [ 0.0000609900000000, 0.0000017800000000, -0.0000849300000000 ] - [ 0.0000999500000000, 0.0000961000000000, -0.0003608700000000 ] - [ 0.0006388300000000, -0.0000001400000000, 0.0001689600000000 ] - [ 0.0000581100000000, 0.0000533000000000, 0.0001627200000000 ] - [ -0.0001174500000000, -0.0000051200000000, 0.0004723700000000 ] - [ -0.0000506800000000, 0.0000972600000000, 0.0006001200000000 ] - [ 0.0001944700000000, -0.0000006000000000, 0.0007474300000000 ] - [ 0.0000583700000000, -0.0000537800000000, 0.0001630200000000 ] - [ -0.0001563300000000, -0.0000895100000000, 0.0006803400000000 ] - [ 0.0002059800000000, 0.0000002600000000, 0.0005529900000000 ] - [ 0.0001255500000000, 0.0000078900000000, 0.0003704000000000 ] - [ 0.0002365900000000, 0.0001839500000000, -0.0017079400000000 ] - [ 0.0000166600000000, -0.0000036600000000, 0.0001562400000000 ] - [ 0.0001256800000000, -0.0000020700000000, 0.0006353300000000 ] - [ 0.0000172300000000, 0.0000021400000000, -0.0001502400000000 ] - [ -0.0004069900000000, -0.0000544200000000, 0.0000455400000000 ] - [ 0.0000395600000000, -0.0000039800000000, 0.0001209700000000 ] - [ 0.0001412900000000, -0.0000023100000000, 0.0006557800000000 ] - [ -0.0000636200000000, -0.0000014700000000, -0.0001175900000000 ] - [ 0.0005541800000000, -0.0001301100000000, -0.0003821900000000 ] - [ 0.0007963600000000, 0.0000708400000000, -0.0008830800000000 ] - [ -0.0001554800000000, -0.0011131100000000, 0.0003464900000000 ] - [ -0.0012764700000000, -0.0002940200000000, -0.0002965200000000 ] - [ -0.0981466000000000, -0.2556868600000000, 0.0123352600000000 ] - [ -0.0038913200000000, 0.0048887700000000, -0.0088311600000000 ] - [ 0.0000931500000000, 0.0001601800000000, -0.0009073000000000 ] - [ 0.0024223100000000, -0.0050264500000000, -0.0043672200000000 ] - [ 0.0036152300000000, 0.0074862800000000, 0.0139631200000000 ] - [ -0.0047874100000000, 0.0425825100000000, 0.0022578300000000 ] - [ 0.0176226300000000, 0.0088949800000000, 0.0002650100000000 ] - [ -0.0000080800000000, 0.0020482700000000, 0.0000134100000000 ] - [ -0.0001998400000000, 0.0006900700000000, -0.0001782900000000 ] - [ -0.0038725800000000, 0.0028708900000000, -0.0076076600000000 ] - [ -0.0151245400000000, 0.0067504700000000, 0.0003194100000000 ] - [ -0.0001761700000000, -0.0005558000000000, -0.0001543800000000 ] - [ 0.0007820200000000, -0.0020436400000000, -0.0013201200000000 ] - [ -0.0000952700000000, -0.0000107900000000, -0.0000628400000000 ] - [ -0.0006142100000000, -0.0000665900000000, -0.0003437800000000 ] - [ 0.0001705400000000, -0.0013995900000000, 0.0004433500000000 ] - [ -0.0000226800000000, -0.0000408400000000, 0.0000171600000000 ] - [ 0.0001128200000000, 0.0000027100000000, -0.0003490200000000 ] - [ 0.0002707100000000, -0.0000044200000000, -0.0001931300000000 ] - [ -0.0001487100000000, -0.0000001100000000, -0.0006633500000000 ] - [ 0.0001088200000000, -0.0000003300000000, 0.0000385800000000 ] - [ -0.0000198900000000, 0.0000407400000000, 0.0000419300000000 ] - [ -0.0001454700000000, -0.0000017800000000, -0.0006583100000000 ] - [ -0.0002061000000000, -0.0000005600000000, -0.0003189500000000 ] - [ 0.0000228900000000, 0.0001674900000000, 0.0001036200000000 ] - [ 0.0004138400000000, -0.0000000100000000, 0.0000297100000000 ] - [ 0.0000542100000000, 0.0000000000000000, -0.0002527900000000 ] - [ -0.0000335900000000, -0.0000014500000000, 0.0003495400000000 ] - [ -0.0000145500000000, 0.0001924200000000, 0.0003406900000000 ] - [ 0.0000202800000000, -0.0001665500000000, 0.0001071300000000 ] - [ 0.0000456700000000, -0.0000009700000000, 0.0004425200000000 ] - [ -0.0000149000000000, -0.0001928300000000, 0.0003412800000000 ] - [ 0.0000454200000000, 0.0000059600000000, 0.0002633000000000 ] - [ 0.0002254700000000, 0.0000014000000000, -0.0000973900000000 ] - [ -0.0001390600000000, 0.0001738200000000, 0.0003294500000000 ] - [ -0.0000360500000000, -0.0001341500000000, 0.0004208500000000 ] - [ -0.0002518600000000, 0.0015068000000000, 0.0002377400000000 ] - [ 0.0024596000000000, 0.0020606300000000, 0.0076019600000000 ] - [ 0.0001333600000000, 0.0000838300000000, 0.0000415400000000 ] - [ -0.0000946500000000, 0.0000164400000000, -0.0004952700000000 ] - [ 0.0015118500000000, 0.0019621100000000, -0.0001408100000000 ] - [ -0.0001651800000000, -0.0001498600000000, 0.0008748700000000 ] - [ -0.0001407200000000, -0.0000123700000000, 0.0001530100000000 ] - [ 0.0001522300000000, 0.0008917000000000, 0.0004227100000000 ] - [ 0.0003527600000000, 0.0000595900000000, -0.0011939100000000 ] - [ 0.0011265200000000, -0.0014730000000000, -0.0001046400000000 ] - [ 0.0086177700000000, 0.0023392300000000, 0.0003157100000000 ] - [ 0.0001554400000000, -0.0008222400000000, 0.0003854400000000 ] - [ 0.0001490800000000, -0.0000438800000000, -0.0004365700000000 ] - [ 0.0006298600000000, -0.0000914900000000, 0.0002698900000000 ] - [ -0.0028553200000000, 0.0010396500000000, 0.0011976500000000 ] - [ 0.0000737200000000, 0.0000159100000000, -0.0002897500000000 ] - [ 0.0003493500000000, 0.0017135300000000, 0.0003447800000000 ] - [ -0.0000439600000000, 0.0000046200000000, 0.0000621800000000 ] - [ -0.0000624700000000, 0.0000073400000000, -0.0002706100000000 ] - [ 0.0001348100000000, 0.0012065700000000, -0.0005408000000000 ] - [ -0.0000190200000000, -0.0000412100000000, 0.0000403800000000 ] - [ 0.0001573200000000, 0.0000048500000000, -0.0004604400000000 ] - [ 0.0002677600000000, 0.0000296700000000, -0.0008715900000000 ] - [ -0.0000289900000000, -0.0000305700000000, -0.0006094000000000 ] - [ 0.0001086500000000, -0.0000003300000000, 0.0000361700000000 ] - [ -0.0000230300000000, 0.0000406100000000, 0.0000175200000000 ] - [ -0.0000399600000000, 0.0000279100000000, -0.0005975500000000 ] - [ -0.0001850700000000, -0.0000007000000000, -0.0003130400000000 ] - [ 0.0000215200000000, 0.0001680400000000, 0.0000672600000000 ] - [ 0.0004135400000000, 0.0000000400000000, 0.0000266900000000 ] - [ 0.0000752500000000, 0.0000000800000000, -0.0002542300000000 ] - [ -0.0000653000000000, -0.0000172100000000, 0.0002191100000000 ] - [ -0.0000028400000000, 0.0001919300000000, 0.0003364100000000 ] - [ 0.0000211100000000, -0.0001680700000000, 0.0000708500000000 ] - [ 0.0000818700000000, -0.0000012800000000, 0.0004418900000000 ] - [ -0.0000030500000000, -0.0001921700000000, 0.0003369300000000 ] - [ 0.0001390700000000, 0.0000091500000000, 0.0001464600000000 ] - [ 0.0001824200000000, 0.0000009500000000, -0.0001007700000000 ] - [ -0.0000210600000000, 0.0001374600000000, 0.0003972800000000 ] - [ -0.0001368400000000, -0.0001735500000000, 0.0003462300000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001200200000000, -0.0002410000000000, -0.0001411800000000 ] - [ 0.0005725800000000, 0.0010088100000000, -0.0012597900000000 ] - [ 0.0007630500000000, -0.0003213900000000, 0.0001884100000000 ] - [ 0.0044852500000000, -0.0005006100000000, -0.0014323100000000 ] - [ -0.0014316000000000, -0.0040553500000000, -0.0006292200000000 ] - [ -0.0000956300000000, -0.0201803100000000, 0.0048270900000000 ] - [ -0.0241404800000000, -0.0597308400000000, 0.0378493300000000 ] - [ -0.0020472800000000, 0.0108182700000000, -0.0015579400000000 ] - [ -0.0029688700000000, -0.0009792400000000, 0.0061061500000000 ] - [ -0.0000173600000000, -0.0003577000000000, -0.0004582900000000 ] - [ 0.0000736200000000, 0.0001228100000000, -0.0006260900000000 ] - [ 0.0000505200000000, -0.0000007000000000, -0.0003623100000000 ] - [ 0.0014387100000000, -0.0000357500000000, 0.0005372000000000 ] - [ 0.0000370500000000, -0.0000034700000000, -0.0005143000000000 ] - [ 0.0000376600000000, -0.0001215200000000, -0.0006782900000000 ] - [ 0.0005536700000000, -0.0000358400000000, -0.0003612200000000 ] - [ 0.0000422900000000, 0.0000301700000000, -0.0001587700000000 ] - [ -0.0000812400000000, 0.0000085300000000, 0.0001741600000000 ] - [ -0.0000498600000000, 0.0001424600000000, 0.0002919900000000 ] - [ 0.0001967100000000, 0.0000007900000000, 0.0003676900000000 ] - [ 0.0000422700000000, -0.0000285400000000, -0.0001588500000000 ] - [ -0.0001733600000000, -0.0001380900000000, 0.0003432100000000 ] - [ 0.0002056400000000, -0.0000006500000000, 0.0002046300000000 ] - [ 0.0000770300000000, -0.0000119200000000, -0.0001625100000000 ] - [ -0.0001005800000000, -0.0000562600000000, -0.0000964200000000 ] - [ 0.0018019700000000, -0.0000512400000000, 0.0014047300000000 ] - [ -0.0002920800000000, 0.0040906400000000, 0.0002227600000000 ] - [ -0.0683522900000000, -0.1112030900000000, -0.0307189800000000 ] - [ 0.0005615700000000, 0.0003209200000000, 0.0000941100000000 ] - [ 0.0011344300000000, 0.0029079500000000, -0.0005913400000000 ] - [ 0.0023410100000000, -0.0000922900000000, 0.0021346900000000 ] - [ 0.0017081400000000, -0.0029067800000000, -0.0004315800000000 ] - [ -0.0036128100000000, 0.0001311300000000, 0.0003460600000000 ] - [ -0.0022105200000000, -0.0000948700000000, -0.0010070500000000 ] - [ 0.0001018500000000, -0.0000593200000000, -0.0003808900000000 ] - [ 0.0000730000000000, -0.0000006200000000, -0.0003795900000000 ] - [ 0.0019395900000000, 0.0009186400000000, -0.0043732600000000 ] - [ -0.0000045500000000, -0.0000016300000000, -0.0005722100000000 ] - [ 0.0000974900000000, 0.0000515600000000, -0.0003766000000000 ] - [ 0.0000700400000000, 0.0000008700000000, -0.0004961200000000 ] - [ 0.0000589300000000, 0.0000313200000000, -0.0001547800000000 ] - [ -0.0001259100000000, 0.0000052900000000, 0.0001170800000000 ] - [ -0.0001671300000000, 0.0001374200000000, 0.0003515000000000 ] - [ 0.0002195300000000, 0.0000005500000000, 0.0003461600000000 ] - [ 0.0000587500000000, -0.0000309900000000, -0.0001551600000000 ] - [ -0.0000606200000000, -0.0001451100000000, 0.0002689900000000 ] - [ 0.0001880500000000, -0.0000002900000000, 0.0002078900000000 ] - [ -0.0000626200000000, -0.0000084700000000, -0.0006208900000000 ] - [ -0.0004059900000000, -0.0001908100000000, 0.0012980200000000 ] - [ 0.0000410700000000, -0.0000032500000000, -0.0001215600000000 ] - [ 0.0001384400000000, -0.0000044500000000, 0.0003902500000000 ] - [ -0.0000390400000000, 0.0000045500000000, -0.0003702900000000 ] - [ 0.0002399300000000, 0.0000464000000000, -0.0004721700000000 ] - [ 0.0000182300000000, -0.0000030100000000, -0.0000860900000000 ] - [ 0.0001222600000000, -0.0000042100000000, 0.0003696900000000 ] - [ 0.0000421300000000, 0.0000081700000000, -0.0004031100000000 ] - [ -0.0005804400000000, 0.0002068000000000, 0.0006093400000000 ] - [ -0.0010053900000000, -0.0000753200000000, 0.0003580000000000 ] - [ 0.0001371200000000, 0.0010395500000000, -0.0001385800000000 ] - [ 0.0005989300000000, 0.0003013500000000, -0.0007272500000000 ] - [ 0.1003372300000000, 0.2567824200000000, -0.0079825100000000 ] - [ 0.0034788200000000, -0.0048979600000000, 0.0087672900000000 ] - [ -0.0005227600000000, -0.0001680900000000, 0.0007807600000000 ] - [ -0.0026565300000000, 0.0049898700000000, 0.0041758500000000 ] - [ -0.0044914700000000, -0.0075315100000000, -0.0145868200000000 ] - [ 0.0045663900000000, -0.0424752000000000, -0.0029225600000000 ] - [ -0.0175928600000000, -0.0088756400000000, -0.0007104900000000 ] - [ -0.0001369100000000, -0.0020601800000000, -0.0003639500000000 ] - [ 0.0001507600000000, -0.0006050600000000, 0.0000598800000000 ] - [ 0.0042989200000000, -0.0028385400000000, 0.0074669500000000 ] - [ 0.0157779500000000, -0.0066416500000000, -0.0000818800000000 ] - [ 0.0001278900000000, 0.0004709700000000, 0.0000380100000000 ] - [ -0.0008648200000000, 0.0017478100000000, 0.0013464400000000 ] - [ -0.0000083100000000, 0.0000102400000000, 0.0001885500000000 ] - [ 0.0002507700000000, 0.0000646800000000, -0.0003429700000000 ] - [ -0.0002849200000000, 0.0016934700000000, -0.0004070500000000 ] - [ -0.0000183700000000, -0.0000456900000000, 0.0002839700000000 ] - [ 0.0001525900000000, -0.0000027900000000, -0.0001377400000000 ] - [ 0.0000694100000000, 0.0000041100000000, -0.0002476300000000 ] - [ -0.0000294200000000, -0.0000615200000000, -0.0003543800000000 ] - [ 0.0001095900000000, 0.0000002900000000, 0.0002705400000000 ] - [ -0.0000220900000000, 0.0000460100000000, 0.0002588400000000 ] - [ -0.0000322500000000, 0.0000630500000000, -0.0003586600000000 ] - [ -0.0001820300000000, 0.0000002900000000, -0.0000789700000000 ] - [ 0.0000176800000000, 0.0001581500000000, 0.0002985400000000 ] - [ 0.0004003900000000, -0.0000000600000000, 0.0002604200000000 ] - [ 0.0000739000000000, 0.0000000600000000, -0.0000186000000000 ] - [ -0.0000552700000000, 0.0000017000000000, 0.0003917500000000 ] - [ 0.0000030500000000, 0.0001803400000000, 0.0005687800000000 ] - [ 0.0000203400000000, -0.0001595100000000, 0.0002948500000000 ] - [ 0.0000875900000000, 0.0000008800000000, 0.0006635400000000 ] - [ 0.0000033700000000, -0.0001804900000000, 0.0005679400000000 ] - [ 0.0000688700000000, -0.0000064700000000, 0.0004119100000000 ] - [ 0.0001778200000000, -0.0000015600000000, 0.0001761600000000 ] - [ 0.0000010400000000, 0.0000745900000000, 0.0006345800000000 ] - [ -0.0001035300000000, -0.0001145400000000, 0.0005424600000000 ] - [ 0.0002350100000000, -0.0014326700000000, -0.0000265200000000 ] - [ -0.0026768100000000, -0.0020444800000000, -0.0081746700000000 ] - [ -0.0001470000000000, -0.0001572500000000, 0.0001725300000000 ] - [ -0.0005937300000000, -0.0000169300000000, -0.0005282500000000 ] - [ -0.0017768800000000, -0.0021862000000000, -0.0005273300000000 ] - [ -0.0002340800000000, 0.0001525200000000, -0.0008502400000000 ] - [ -0.0003028000000000, 0.0000128700000000, -0.0002840300000000 ] - [ -0.0003292100000000, -0.0008764600000000, -0.0007545500000000 ] - [ -0.0012581200000000, -0.0000572400000000, 0.0004583300000000 ] - [ -0.0013953200000000, 0.0016995700000000, -0.0005644300000000 ] - [ -0.0088480100000000, -0.0023240000000000, -0.0007697300000000 ] - [ -0.0003331000000000, 0.0008066600000000, -0.0007182000000000 ] - [ -0.0001958600000000, 0.0001276000000000, 0.0003176300000000 ] - [ -0.0002375600000000, 0.0000892400000000, -0.0004311500000000 ] - [ 0.0034109000000000, -0.0010543100000000, -0.0009697500000000 ] - [ -0.0001232500000000, -0.0001011400000000, 0.0001765500000000 ] - [ -0.0004653300000000, -0.0020084500000000, -0.0003081000000000 ] - [ -0.0000598800000000, -0.0000047300000000, 0.0000626700000000 ] - [ -0.0003030600000000, -0.0000073400000000, -0.0004174800000000 ] - [ -0.0002432000000000, -0.0009139300000000, 0.0005984200000000 ] - [ -0.0000225100000000, -0.0000458400000000, 0.0002600900000000 ] - [ 0.0001086100000000, -0.0000046700000000, -0.0000258300000000 ] - [ 0.0000752700000000, -0.0000283400000000, 0.0004314400000000 ] - [ -0.0001495400000000, -0.0000312700000000, -0.0004083800000000 ] - [ 0.0001097200000000, 0.0000002500000000, 0.0002731600000000 ] - [ -0.0000186900000000, 0.0000461900000000, 0.0002827600000000 ] - [ -0.0001384700000000, 0.0000335100000000, -0.0004196200000000 ] - [ -0.0002025000000000, 0.0000005100000000, -0.0000851300000000 ] - [ 0.0000193400000000, 0.0001576000000000, 0.0003353600000000 ] - [ 0.0004007800000000, -0.0000000600000000, 0.0002636300000000 ] - [ 0.0000528400000000, -0.0000001000000000, -0.0000171800000000 ] - [ -0.0000227100000000, 0.0000176800000000, 0.0005249600000000 ] - [ -0.0000091100000000, 0.0001807000000000, 0.0005730600000000 ] - [ 0.0000198200000000, -0.0001579900000000, 0.0003315800000000 ] - [ 0.0000509800000000, 0.0000013000000000, 0.0006645300000000 ] - [ -0.0000087400000000, -0.0001806800000000, 0.0005727100000000 ] - [ -0.0000246500000000, -0.0000094100000000, 0.0005301100000000 ] - [ 0.0002213100000000, -0.0000010800000000, 0.0001791200000000 ] - [ -0.0001189900000000, 0.0001109500000000, 0.0005668100000000 ] - [ -0.0000012100000000, -0.0000750800000000, 0.0006171100000000 ]- atom: 61 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0015742800000000, -0.0007726300000000, -0.0018948900000000 ] - [ 0.0036118500000000, 0.0037932900000000, -0.0014901300000000 ] - [ 0.0000735300000000, -0.0000501600000000, 0.0013158500000000 ] - [ -0.0027465900000000, 0.0005991000000000, 0.0051914200000000 ] - [ 0.0003846500000000, -0.0000630300000000, -0.0086182200000000 ] - [ 0.0064818000000000, -0.0004091100000000, 0.0255129400000000 ] - [ -0.0056038800000000, -0.0320406200000000, 0.0457695500000000 ] - [ -0.0026457500000000, -0.0006746200000000, 0.0099770500000000 ] - [ 0.0066057700000000, -0.0048650700000000, 0.0102761500000000 ] - [ 0.0020752500000000, -0.0013040400000000, -0.0007386300000000 ] - [ 0.0008087800000000, -0.0001190500000000, -0.0022121500000000 ] - [ 0.0002295800000000, -0.0000008700000000, -0.0022461800000000 ] - [ -0.0027680500000000, 0.0000728900000000, 0.0001264100000000 ] - [ -0.0001594600000000, -0.0000141700000000, -0.0028610500000000 ] - [ 0.0006474200000000, 0.0001172100000000, -0.0024030900000000 ] - [ 0.0003002000000000, -0.0001278500000000, -0.0015034400000000 ] - [ -0.0000194600000000, -0.0001274600000000, -0.0020224100000000 ] - [ -0.0003617000000000, 0.0000287700000000, -0.0015693900000000 ] - [ 0.0000658600000000, 0.0001391800000000, -0.0013950000000000 ] - [ 0.0001717900000000, 0.0000047000000000, -0.0018629000000000 ] - [ -0.0000208800000000, 0.0001274700000000, -0.0020224800000000 ] - [ -0.0002550400000000, -0.0000999100000000, -0.0017665000000000 ] - [ 0.0001975100000000, 0.0000000500000000, -0.0017194900000000 ] - [ -0.0003457600000000, -0.0000259100000000, -0.0017447900000000 ] - [ -0.0018892700000000, -0.0004019100000000, -0.0021341400000000 ] - [ -0.0059266700000000, 0.0005679600000000, -0.0015489700000000 ] - [ 0.0047646000000000, 0.0000760800000000, -0.0034760900000000 ] - [ 0.0300756700000000, 0.0366983000000000, 0.0359005900000000 ] - [ -0.0005308600000000, 0.0000773900000000, 0.0010863600000000 ] - [ -0.0000306500000000, 0.0001635500000000, 0.0063552400000000 ] - [ -0.0019673900000000, -0.0001159300000000, 0.0055429600000000 ] - [ 0.0013688100000000, -0.0002643400000000, 0.0070213300000000 ] - [ -0.0081312800000000, 0.0016820400000000, 0.0050282100000000 ] - [ -0.0047064200000000, -0.0005538200000000, -0.0030246700000000 ] - [ -0.0008275400000000, -0.0002571600000000, -0.0023096600000000 ] - [ 0.0002516500000000, -0.0000011300000000, -0.0021882300000000 ] - [ 0.0066450600000000, 0.0025451200000000, -0.0042574300000000 ] - [ 0.0001849400000000, -0.0000150600000000, -0.0029593200000000 ] - [ -0.0010136900000000, 0.0002612900000000, -0.0023989500000000 ] - [ 0.0009263200000000, -0.0001636700000000, -0.0030395900000000 ] - [ -0.0000551400000000, -0.0001209700000000, -0.0019838200000000 ] - [ 0.0000937300000000, 0.0000279100000000, -0.0019008500000000 ] - [ -0.0002218700000000, 0.0000986700000000, -0.0017031300000000 ] - [ 0.0002514400000000, 0.0000042000000000, -0.0018196400000000 ] - [ -0.0000562400000000, 0.0001211000000000, -0.0019835300000000 ] - [ 0.0000316700000000, -0.0001396600000000, -0.0014705400000000 ] - [ 0.0001935300000000, -0.0000000300000000, -0.0018157500000000 ] - [ 0.0003862600000000, -0.0000484700000000, -0.0030621900000000 ] - [ 0.0001843700000000, 0.0004401700000000, -0.0042283700000000 ] - [ 0.0000661900000000, -0.0000018300000000, -0.0014935300000000 ] - [ 0.0000810500000000, -0.0000089300000000, -0.0010660300000000 ] - [ 0.0000567600000000, 0.0000212200000000, -0.0020606700000000 ] - [ -0.0000978800000000, 0.0001786200000000, -0.0001083900000000 ] - [ -0.0000043300000000, -0.0000005900000000, -0.0016369700000000 ] - [ 0.0001760300000000, -0.0000081400000000, -0.0011562400000000 ] - [ -0.0000439400000000, 0.0000194700000000, -0.0017338900000000 ] - [ -0.0022219500000000, 0.0003916100000000, 0.0014284500000000 ] - [ -0.0008588700000000, -0.0005500400000000, -0.0032209100000000 ] - [ 0.0016864500000000, -0.0003997400000000, 0.0021375400000000 ] - [ -0.0017769900000000, 0.0007024300000000, 0.0016180900000000 ] - [ -0.0514312400000000, -0.0047659000000000, -0.1379978800000000 ] - [ 0.0040268100000000, -0.0108090600000000, 0.0109778300000000 ] - [ -0.0010671100000000, -0.0006403400000000, 0.0024388100000000 ] - [ -0.0159296100000000, -0.0026347400000000, 0.0145922400000000 ] - [ 0.0078360800000000, 0.0157415700000000, 0.0137171500000000 ] - [ -0.0033291500000000, -0.0017938500000000, -0.0114066700000000 ] - [ 0.0051359900000000, 0.0027146100000000, -0.0083221200000000 ] - [ -0.0029389500000000, -0.0014514800000000, -0.0035673400000000 ] - [ 0.0009808700000000, -0.0000025500000000, 0.0027335000000000 ] - [ 0.0053422600000000, -0.0067512600000000, 0.0096046400000000 ] - [ 0.0079070800000000, -0.0057717800000000, -0.0111615100000000 ] - [ 0.0006792700000000, 0.0000146200000000, 0.0020721400000000 ] - [ -0.0053960300000000, 0.0010641300000000, 0.0017750700000000 ] - [ -0.0002775000000000, 0.0000386800000000, 0.0013048700000000 ] - [ -0.0011251700000000, 0.0001293600000000, 0.0010930600000000 ] - [ 0.0032738100000000, 0.0004686400000000, 0.0002657000000000 ] - [ -0.0000615500000000, -0.0000447600000000, 0.0016284200000000 ] - [ 0.0004134000000000, -0.0000293700000000, 0.0013759000000000 ] - [ 0.0008360100000000, 0.0000062800000000, 0.0008357000000000 ] - [ -0.0002676900000000, -0.0000467600000000, 0.0011214200000000 ] - [ 0.0001135700000000, 0.0000011100000000, 0.0016314900000000 ] - [ 0.0000215000000000, 0.0000421200000000, 0.0016553300000000 ] - [ -0.0002466700000000, 0.0000575700000000, 0.0010740300000000 ] - [ -0.0002091100000000, 0.0000020100000000, 0.0013320500000000 ] - [ 0.0000954800000000, 0.0001742500000000, 0.0016650700000000 ] - [ 0.0003357500000000, -0.0000009400000000, 0.0015857400000000 ] - [ 0.0000623200000000, -0.0000006900000000, 0.0013441300000000 ] - [ 0.0002921900000000, 0.0000702500000000, 0.0023446800000000 ] - [ 0.0000422100000000, 0.0001196300000000, 0.0019238900000000 ] - [ 0.0001014600000000, -0.0001772700000000, 0.0016455500000000 ] - [ 0.0001072600000000, 0.0000032700000000, 0.0020659400000000 ] - [ 0.0000433200000000, -0.0001195900000000, 0.0019211200000000 ] - [ 0.0000078500000000, -0.0000342600000000, 0.0016156200000000 ] - [ 0.0001642100000000, -0.0000050000000000, 0.0016057700000000 ] - [ 0.0000493500000000, -0.0002033200000000, 0.0020041900000000 ] - [ 0.0000976400000000, 0.0000771100000000, 0.0014599400000000 ] - [ 0.0024916800000000, 0.0006225900000000, 0.0035228800000000 ] - [ 0.0051979500000000, 0.0079514400000000, 0.0092795600000000 ] - [ -0.0008113200000000, -0.0000318100000000, -0.0000103000000000 ] - [ 0.0003712000000000, -0.0000293500000000, -0.0006423600000000 ] - [ 0.0015188300000000, 0.0003127800000000, -0.0030385200000000 ] - [ -0.0001082900000000, 0.0004703700000000, -0.0028105600000000 ] - [ 0.0004084000000000, 0.0000493200000000, 0.0000021600000000 ] - [ 0.0022563000000000, 0.0000194100000000, -0.0021811100000000 ] - [ -0.0002384300000000, -0.0002793900000000, -0.0033724600000000 ] - [ 0.0009175700000000, -0.0002935500000000, -0.0031399300000000 ] - [ 0.0015457600000000, 0.0014672500000000, -0.0066251600000000 ] - [ 0.0022955800000000, 0.0000060100000000, -0.0018896100000000 ] - [ -0.0006468500000000, 0.0001259700000000, 0.0008933500000000 ] - [ 0.0004377400000000, 0.0002424100000000, -0.0023215100000000 ] - [ 0.0024879400000000, -0.0009081500000000, -0.0062193300000000 ] - [ -0.0003666100000000, -0.0000070100000000, 0.0003647200000000 ] - [ 0.0038206500000000, -0.0002300500000000, -0.0003719000000000 ] - [ 0.0002573300000000, 0.0000660000000000, 0.0017934300000000 ] - [ 0.0005797000000000, 0.0000171400000000, 0.0006135500000000 ] - [ -0.0025189600000000, -0.0002756900000000, -0.0015918600000000 ] - [ 0.0000204800000000, -0.0000409900000000, 0.0016639200000000 ] - [ -0.0001241500000000, -0.0000145700000000, 0.0011353000000000 ] - [ -0.0007331600000000, -0.0000779600000000, 0.0017467100000000 ] - [ 0.0000456100000000, -0.0000274600000000, 0.0008008500000000 ] - [ 0.0001074600000000, 0.0000009900000000, 0.0016218800000000 ] - [ -0.0000599900000000, 0.0000461700000000, 0.0016213900000000 ] - [ 0.0000833000000000, 0.0000364500000000, 0.0007618500000000 ] - [ -0.0001794200000000, 0.0000018000000000, 0.0012397400000000 ] - [ -0.0000522200000000, 0.0001581200000000, 0.0016627800000000 ] - [ 0.0003293600000000, -0.0000008400000000, 0.0015935400000000 ] - [ 0.0000657600000000, -0.0000006900000000, 0.0012738600000000 ] - [ -0.0003072300000000, 0.0000584800000000, 0.0020588300000000 ] - [ 0.0000157200000000, 0.0001240100000000, 0.0018744400000000 ] - [ -0.0000475000000000, -0.0001604400000000, 0.0016470200000000 ] - [ 0.0000066100000000, 0.0000033100000000, 0.0019296600000000 ] - [ 0.0000166200000000, -0.0001238600000000, 0.0018721000000000 ] - [ -0.0004741900000000, -0.0000289600000000, 0.0016191600000000 ] - [ 0.0002346700000000, -0.0000056200000000, 0.0017700100000000 ] - [ 0.0000459500000000, -0.0000891200000000, 0.0015353700000000 ] - [ 0.0000589900000000, 0.0001893100000000, 0.0019251800000000 ]- atom: 61 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0012915000000000, 0.0007767300000000, 0.0024874600000000 ] - [ -0.0037433200000000, -0.0038068800000000, 0.0007015400000000 ] - [ 0.0000869300000000, 0.0001299000000000, -0.0014028600000000 ] - [ 0.0025491600000000, -0.0006070800000000, -0.0059342000000000 ] - [ -0.0002401700000000, -0.0000220200000000, 0.0085862200000000 ] - [ -0.0047166200000000, 0.0004322300000000, -0.0241848500000000 ] - [ 0.0059939000000000, 0.0333044700000000, -0.0459323200000000 ] - [ 0.0025900100000000, 0.0006765400000000, -0.0098562300000000 ] - [ -0.0067990400000000, 0.0048693600000000, -0.0102411800000000 ] - [ -0.0020754500000000, 0.0013001000000000, 0.0007020000000000 ] - [ -0.0006086800000000, -0.0000273600000000, 0.0014755700000000 ] - [ -0.0001363000000000, 0.0000009200000000, 0.0018294100000000 ] - [ 0.0033676400000000, -0.0000742500000000, -0.0003384400000000 ] - [ 0.0002151800000000, 0.0000140900000000, 0.0022052100000000 ] - [ -0.0004481300000000, 0.0000294100000000, 0.0016658800000000 ] - [ 0.0004090900000000, 0.0001275000000000, 0.0011788800000000 ] - [ 0.0001367800000000, 0.0002121600000000, 0.0020306100000000 ] - [ 0.0001206200000000, -0.0000288100000000, 0.0021578200000000 ] - [ -0.0002834400000000, 0.0000951800000000, 0.0023438800000000 ] - [ 0.0002424300000000, -0.0000045200000000, 0.0029564000000000 ] - [ 0.0001381900000000, -0.0002119700000000, 0.0020304800000000 ] - [ 0.0000382200000000, -0.0001345500000000, 0.0027180000000000 ] - [ 0.0001969500000000, -0.0000000500000000, 0.0024798500000000 ] - [ 0.0004127700000000, 0.0000260300000000, 0.0014908700000000 ] - [ 0.0021896200000000, 0.0004047800000000, 0.0027299700000000 ] - [ 0.0058377700000000, -0.0005732700000000, 0.0007695000000000 ] - [ -0.0046398900000000, 0.0000089800000000, 0.0034090500000000 ] - [ -0.0305098900000000, -0.0371264800000000, -0.0361735800000000 ] - [ 0.0006943700000000, -0.0001570400000000, -0.0011726000000000 ] - [ -0.0000119000000000, -0.0001557200000000, -0.0063026600000000 ] - [ 0.0017626800000000, 0.0001209500000000, -0.0054182300000000 ] - [ -0.0014202900000000, 0.0002563700000000, -0.0069688600000000 ] - [ 0.0079627800000000, -0.0016906700000000, -0.0049630200000000 ] - [ 0.0046675600000000, 0.0005496100000000, 0.0029784400000000 ] - [ 0.0010196900000000, 0.0001092600000000, 0.0015735300000000 ] - [ -0.0001582500000000, 0.0000010400000000, 0.0017715000000000 ] - [ -0.0059967200000000, -0.0025312400000000, 0.0040112300000000 ] - [ -0.0001275300000000, 0.0000152200000000, 0.0023026100000000 ] - [ 0.0012044400000000, -0.0001131400000000, 0.0016623400000000 ] - [ -0.0002152100000000, 0.0001623800000000, 0.0027064000000000 ] - [ 0.0001720000000000, 0.0002057000000000, 0.0019922700000000 ] - [ -0.0003376800000000, -0.0000279100000000, 0.0024905500000000 ] - [ 0.0000049800000000, 0.0001360100000000, 0.0026541000000000 ] - [ 0.0001624400000000, -0.0000041100000000, 0.0029128400000000 ] - [ 0.0001731300000000, -0.0002056100000000, 0.0019918600000000 ] - [ -0.0002491500000000, -0.0000944900000000, 0.0024198400000000 ] - [ 0.0002006100000000, 0.0000001700000000, 0.0025766300000000 ] - [ -0.0003241100000000, 0.0000486700000000, 0.0028138600000000 ] - [ -0.0003530200000000, -0.0004429600000000, 0.0038052100000000 ] - [ -0.0000081200000000, -0.0000049000000000, 0.0015289000000000 ] - [ 0.0001833200000000, 0.0000026600000000, 0.0020916200000000 ] - [ -0.0000779800000000, -0.0000140700000000, 0.0015391900000000 ] - [ -0.0000696800000000, -0.0001835600000000, -0.0003071400000000 ] - [ 0.0000620000000000, -0.0000061800000000, 0.0016716000000000 ] - [ 0.0000875800000000, 0.0000018200000000, 0.0021822100000000 ] - [ 0.0000223600000000, -0.0000123700000000, 0.0012141200000000 ] - [ 0.0022183100000000, -0.0003192700000000, -0.0012140100000000 ] - [ 0.0006588000000000, 0.0005538600000000, 0.0027200000000000 ] - [ -0.0017094300000000, 0.0003281600000000, -0.0019251300000000 ] - [ 0.0011014500000000, -0.0007045800000000, -0.0026433500000000 ] - [ 0.0487731800000000, 0.0034994200000000, 0.1361142500000000 ] - [ -0.0044908500000000, 0.0109845500000000, -0.0111219500000000 ] - [ 0.0006338200000000, 0.0006417800000000, -0.0025687900000000 ] - [ 0.0160006100000000, 0.0026812400000000, -0.0151255500000000 ] - [ -0.0086181200000000, -0.0154979900000000, -0.0142769800000000 ] - [ 0.0030669600000000, 0.0019959100000000, 0.0107451800000000 ] - [ -0.0053715900000000, -0.0027446200000000, 0.0078438500000000 ] - [ 0.0027809700000000, 0.0014387100000000, 0.0032693200000000 ] - [ -0.0010213500000000, 0.0000844500000000, -0.0028415500000000 ] - [ -0.0048640400000000, 0.0066223000000000, -0.0096061700000000 ] - [ -0.0074099700000000, 0.0058310200000000, 0.0113166400000000 ] - [ -0.0007233800000000, -0.0000969800000000, -0.0021873100000000 ] - [ 0.0052440500000000, -0.0013517000000000, -0.0017151600000000 ] - [ 0.0001730400000000, -0.0000384500000000, -0.0011826800000000 ] - [ 0.0007567100000000, -0.0001292700000000, -0.0017836800000000 ] - [ -0.0033673600000000, -0.0001643700000000, -0.0002355800000000 ] - [ 0.0000205000000000, -0.0000412900000000, -0.0013281600000000 ] - [ -0.0001467900000000, 0.0000290600000000, -0.0018625500000000 ] - [ -0.0004922200000000, -0.0000060500000000, -0.0012806900000000 ] - [ 0.0000887900000000, -0.0000154500000000, -0.0021391700000000 ] - [ 0.0001050100000000, -0.0000009700000000, -0.0013218900000000 ] - [ -0.0000630400000000, 0.0000446600000000, -0.0013555200000000 ] - [ 0.0000684600000000, 0.0000048200000000, -0.0020915900000000 ] - [ -0.0001793600000000, -0.0000021000000000, -0.0017306400000000 ] - [ -0.0000554400000000, 0.0001509400000000, -0.0012622300000000 ] - [ 0.0004785800000000, 0.0000010700000000, -0.0012956400000000 ] - [ 0.0000657700000000, 0.0000009500000000, -0.0016165400000000 ] - [ -0.0003824800000000, -0.0000707300000000, -0.0016032100000000 ] - [ -0.0000536900000000, 0.0002534100000000, -0.0010144300000000 ] - [ -0.0000614100000000, -0.0001479600000000, -0.0012426900000000 ] - [ 0.0000266100000000, -0.0000031900000000, -0.0009594900000000 ] - [ -0.0000550000000000, -0.0002532800000000, -0.0010116800000000 ] - [ 0.0001048400000000, 0.0000343600000000, -0.0009396500000000 ] - [ 0.0002394300000000, 0.0000050800000000, -0.0015258100000000 ] - [ -0.0001872600000000, 0.0004518200000000, -0.0010411800000000 ] - [ -0.0002365200000000, -0.0003246700000000, -0.0004945700000000 ] - [ -0.0025227100000000, -0.0005531000000000, -0.0033264300000000 ] - [ -0.0054846000000000, -0.0080850900000000, -0.0099506100000000 ] - [ 0.0007988500000000, -0.0000430000000000, 0.0002350100000000 ] - [ -0.0010615000000000, 0.0000293500000000, -0.0003716900000000 ] - [ -0.0017795000000000, -0.0005406000000000, 0.0023773700000000 ] - [ -0.0002816300000000, -0.0004724800000000, 0.0028496500000000 ] - [ -0.0008513900000000, -0.0000493000000000, -0.0001231900000000 ] - [ -0.0024382200000000, -0.0000041200000000, 0.0018723800000000 ] - [ -0.0006601300000000, 0.0002777600000000, 0.0026110500000000 ] - [ -0.0011803500000000, 0.0005225700000000, 0.0024771900000000 ] - [ -0.0016622300000000, -0.0014435000000000, 0.0061819700000000 ] - [ -0.0024761400000000, -0.0000210400000000, 0.0015775200000000 ] - [ 0.0005961100000000, -0.0000405800000000, -0.0010134400000000 ] - [ -0.0000416700000000, -0.0002406900000000, 0.0021405600000000 ] - [ -0.0018753000000000, 0.0008904600000000, 0.0064375300000000 ] - [ 0.0003172900000000, -0.0000778500000000, -0.0004873100000000 ] - [ -0.0039093000000000, -0.0000723800000000, 0.0003919200000000 ] - [ -0.0003593200000000, -0.0000651000000000, -0.0016690800000000 ] - [ -0.0009413300000000, -0.0000170400000000, -0.0013062600000000 ] - [ 0.0024030600000000, 0.0005706800000000, 0.0016194200000000 ] - [ -0.0000615800000000, -0.0000457000000000, -0.0013642700000000 ] - [ 0.0003878900000000, 0.0000146800000000, -0.0016228100000000 ] - [ 0.0010690900000000, 0.0000786300000000, -0.0021837100000000 ] - [ -0.0002230200000000, -0.0000346800000000, -0.0018205600000000 ] - [ 0.0001109200000000, -0.0000009000000000, -0.0013119500000000 ] - [ 0.0000182800000000, 0.0000406200000000, -0.0013221500000000 ] - [ -0.0002600800000000, 0.0000257500000000, -0.0017815500000000 ] - [ -0.0002081500000000, -0.0000017900000000, -0.0016391300000000 ] - [ 0.0000930500000000, 0.0001670900000000, -0.0012598600000000 ] - [ 0.0004852400000000, 0.0000010100000000, -0.0013033300000000 ] - [ 0.0000624500000000, 0.0000008400000000, -0.0015466400000000 ] - [ 0.0002201000000000, -0.0000586900000000, -0.0013148400000000 ] - [ -0.0000276100000000, 0.0002488800000000, -0.0009650300000000 ] - [ 0.0000883600000000, -0.0001648500000000, -0.0012440400000000 ] - [ 0.0001274800000000, -0.0000031800000000, -0.0008224900000000 ] - [ -0.0000283500000000, -0.0002488500000000, -0.0009624900000000 ] - [ 0.0005890000000000, 0.0000292900000000, -0.0009427200000000 ] - [ 0.0001688400000000, 0.0000057400000000, -0.0016910900000000 ] - [ -0.0001845600000000, 0.0003369700000000, -0.0005703800000000 ] - [ -0.0001970500000000, -0.0004374900000000, -0.0009618200000000 ]- atom: 62 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0020097400000000, 0.0000000000000000, 0.0035418800000000 ] - [ -0.0109886000000000, 0.0000000000000000, 0.0049507700000000 ] - [ -0.0094215700000000, 0.0004997100000000, -0.0023866800000000 ] - [ -0.0066957200000000, 0.0000000000000000, -0.0014770200000000 ] - [ 0.0259634600000000, 0.0038045400000000, 0.0012804000000000 ] - [ -0.0006874700000000, -0.0003477000000000, -0.0030834700000000 ] - [ 0.0315010000000000, 0.0000000000000000, 0.0044473400000000 ] - [ -0.0006874700000000, 0.0003477000000000, -0.0030834700000000 ] - [ -0.0077352200000000, 0.0000000000000000, -0.0063789000000000 ] - [ 0.0005877100000000, 0.0000000000000000, 0.0012249000000000 ] - [ 0.0003021500000000, -0.0000472000000000, -0.0000964700000000 ] - [ 0.0001173900000000, 0.0000000000000000, -0.0001200300000000 ] - [ -0.0017788100000000, 0.0000000000000000, 0.0000159700000000 ] - [ -0.0000247900000000, 0.0000000000000000, -0.0001767900000000 ] - [ 0.0003021500000000, 0.0000472000000000, -0.0000964700000000 ] - [ 0.0001007200000000, 0.0000000000000000, 0.0002117300000000 ] - [ 0.0000884500000000, 0.0000480900000000, 0.0000596700000000 ] - [ -0.0009855800000000, 0.0000000000000000, -0.0004096100000000 ] - [ -0.0013323000000000, -0.0001820000000000, 0.0012809500000000 ] - [ 0.0004159400000000, 0.0000000000000000, 0.0003890200000000 ] - [ 0.0000884500000000, -0.0000480900000000, 0.0000596700000000 ] - [ 0.0013756900000000, -0.0001317900000000, -0.0005064700000000 ] - [ 0.0000326500000000, 0.0000000000000000, 0.0005594900000000 ] - [ -0.0017341100000000, 0.0000000000000000, -0.0021922200000000 ] - [ -0.0015328200000000, 0.0000000000000000, -0.0065001600000000 ] - [ 0.0026920300000000, 0.0000000000000000, -0.0034076300000000 ] - [ 0.0259634600000000, -0.0038045400000000, 0.0012804000000000 ] - [ 0.0088846800000000, 0.0000000000000000, 0.0023175400000000 ] - [ -0.0094215700000000, -0.0004997100000000, -0.0023866800000000 ] - [ -0.0016039700000000, 0.0032911900000000, 0.0036571300000000 ] - [ -0.0061010900000000, 0.0000000000000000, 0.0053269500000000 ] - [ -0.0016039700000000, -0.0032911900000000, 0.0036571300000000 ] - [ 0.0438626700000000, 0.0000000000000000, -0.0106255600000000 ] - [ -0.0005721600000000, 0.0000000000000000, -0.0007472300000000 ] - [ -0.0001160500000000, -0.0001241000000000, -0.0003938100000000 ] - [ -0.0000537300000000, 0.0000000000000000, -0.0000603500000000 ] - [ 0.0023736600000000, 0.0000000000000000, -0.0005847300000000 ] - [ 0.0000834900000000, 0.0000000000000000, -0.0001744000000000 ] - [ -0.0001160500000000, 0.0001241000000000, -0.0003938100000000 ] - [ 0.0006342700000000, 0.0000000000000000, -0.0002893300000000 ] - [ 0.0000448800000000, 0.0000603000000000, 0.0001829200000000 ] - [ 0.0003215500000000, 0.0000000000000000, 0.0011751100000000 ] - [ 0.0013756900000000, 0.0001317900000000, -0.0005064700000000 ] - [ 0.0000181100000000, 0.0000000000000000, 0.0009472800000000 ] - [ 0.0000448800000000, -0.0000603000000000, 0.0001829200000000 ] - [ -0.0013323000000000, 0.0001820000000000, 0.0012809500000000 ] - [ 0.0003610900000000, 0.0000000000000000, 0.0005050500000000 ] - [ 0.0023100600000000, 0.0000000000000000, 0.0059257500000000 ] - [ 0.0002452600000000, 0.0000000000000000, -0.0007003600000000 ] - [ 0.0000094900000000, 0.0000000000000000, 0.0001472200000000 ] - [ -0.0001182400000000, 0.0000000000000000, 0.0003339200000000 ] - [ 0.0000514600000000, 0.0000000000000000, -0.0002230500000000 ] - [ -0.0004229700000000, 0.0000000000000000, 0.0003213600000000 ] - [ 0.0000484700000000, 0.0000000000000000, 0.0000703600000000 ] - [ 0.0003611100000000, 0.0000000000000000, 0.0009016700000000 ] - [ -0.0000732400000000, 0.0000000000000000, -0.0001098000000000 ] - [ 0.0041110500000000, -0.0005398800000000, -0.0012113800000000 ] - [ 0.0061068900000000, 0.0000000000000000, 0.0000855600000000 ] - [ -0.0019653800000000, 0.0056742800000000, 0.0095061200000000 ] - [ -0.0033789100000000, 0.0000000000000000, -0.0027227100000000 ] - [ -0.0034260500000000, -0.0037804500000000, 0.0044062400000000 ] - [ -0.1824325000000000, 0.0000000000000000, 0.0006547200000000 ] - [ 0.0053996700000000, 0.0000000000000000, -0.0203577000000000 ] - [ 0.0240598300000000, -0.0176866900000000, 0.0013593300000000 ] - [ -0.0007365800000000, 0.0000000000000000, 0.0010346000000000 ] - [ -0.0034260500000000, 0.0037804500000000, 0.0044062400000000 ] - [ 0.0027298700000000, 0.0000000000000000, 0.0028875500000000 ] - [ 0.0240598300000000, 0.0176866900000000, 0.0013593300000000 ] - [ 0.0000133400000000, 0.0000274500000000, 0.0002371000000000 ] - [ -0.0000574000000000, 0.0000000000000000, 0.0015285900000000 ] - [ 0.0010759700000000, 0.0000000000000000, 0.0031832700000000 ] - [ 0.0000133400000000, -0.0000274500000000, 0.0002371000000000 ] - [ -0.0013421000000000, 0.0004351300000000, -0.0010600800000000 ] - [ -0.0000972500000000, 0.0000000000000000, -0.0001372300000000 ] - [ -0.0004854300000000, 0.0000000000000000, -0.0005477000000000 ] - [ 0.0009720600000000, 0.0003375500000000, 0.0007833900000000 ] - [ -0.0000102400000000, -0.0000440100000000, 0.0000625900000000 ] - [ 0.0002052600000000, 0.0000000000000000, -0.0002640700000000 ] - [ 0.0005802800000000, 0.0000000000000000, -0.0003441900000000 ] - [ -0.0001864700000000, -0.0000310000000000, -0.0005817900000000 ] - [ 0.0000628100000000, 0.0000000000000000, 0.0000108900000000 ] - [ -0.0000308000000000, 0.0000428900000000, 0.0000633800000000 ] - [ -0.0001864700000000, 0.0000310000000000, -0.0005817900000000 ] - [ -0.0002129400000000, 0.0000000000000000, -0.0002591100000000 ] - [ 0.0000993900000000, 0.0001327800000000, 0.0006246800000000 ] - [ 0.0004821900000000, 0.0000000000000000, 0.0001533300000000 ] - [ 0.0000427800000000, 0.0000000000000000, -0.0001930600000000 ] - [ -0.0001251600000000, 0.0000000000000000, 0.0021885900000000 ] - [ -0.0000805000000000, 0.0002029000000000, 0.0004234300000000 ] - [ 0.0000993900000000, -0.0001327800000000, 0.0006246800000000 ] - [ -0.0004033800000000, 0.0000000000000000, 0.0005388900000000 ] - [ -0.0000805000000000, -0.0002029000000000, 0.0004234300000000 ] - [ -0.0002695900000000, 0.0000000000000000, 0.0018147900000000 ] - [ 0.0007195000000000, 0.0000000000000000, -0.0001740400000000 ] - [ -0.0016523600000000, 0.0006768000000000, -0.0005172500000000 ] - [ 0.0010312100000000, 0.0000026300000000, 0.0009320100000000 ] - [ -0.0019653800000000, -0.0056742800000000, 0.0095061200000000 ] - [ -0.0093040700000000, 0.0000000000000000, -0.0000025100000000 ] - [ 0.0041110500000000, 0.0005398800000000, -0.0012113800000000 ] - [ 0.0027537800000000, 0.0000000000000000, 0.0008244900000000 ] - [ 0.0032634900000000, -0.0000793700000000, -0.0007326200000000 ] - [ 0.0104648600000000, 0.0000000000000000, -0.0001354900000000 ] - [ 0.0030068400000000, 0.0000000000000000, 0.0027384100000000 ] - [ 0.0113720700000000, -0.0068625700000000, 0.0010853600000000 ] - [ 0.0000094100000000, 0.0000000000000000, -0.0013419700000000 ] - [ 0.0032634900000000, 0.0000793700000000, -0.0007326200000000 ] - [ -0.0018448800000000, 0.0000000000000000, -0.0022101100000000 ] - [ 0.0113720700000000, 0.0068625700000000, 0.0010853600000000 ] - [ -0.0000576800000000, 0.0000685400000000, -0.0004923200000000 ] - [ 0.0017666200000000, 0.0000000000000000, -0.0023765200000000 ] - [ 0.0059451900000000, 0.0000000000000000, -0.0107589800000000 ] - [ -0.0000576800000000, -0.0000685400000000, -0.0004923200000000 ] - [ 0.0009720600000000, -0.0003375500000000, 0.0007833900000000 ] - [ -0.0000064200000000, 0.0000000000000000, 0.0001042300000000 ] - [ 0.0001073900000000, 0.0000000000000000, -0.0002825000000000 ] - [ -0.0013421000000000, -0.0004351300000000, -0.0010600800000000 ] - [ -0.0000308000000000, -0.0000428900000000, 0.0000633800000000 ] - [ 0.0000715200000000, 0.0000000000000000, -0.0004048600000000 ] - [ -0.0002209500000000, 0.0000000000000000, -0.0004104400000000 ] - [ 0.0000036400000000, -0.0000221800000000, -0.0006155800000000 ] - [ 0.0001575500000000, 0.0000000000000000, 0.0001365600000000 ] - [ -0.0000102400000000, 0.0000440100000000, 0.0000625900000000 ] - [ 0.0000036400000000, 0.0000221800000000, -0.0006155800000000 ] - [ -0.0001750000000000, 0.0000000000000000, -0.0003139900000000 ] - [ -0.0000265900000000, 0.0002368700000000, -0.0002905300000000 ] - [ 0.0003542500000000, 0.0000000000000000, -0.0000324500000000 ] - [ 0.0000852900000000, 0.0000000000000000, -0.0002526100000000 ] - [ 0.0003468700000000, 0.0000000000000000, -0.0007815500000000 ] - [ 0.0000568800000000, 0.0001857000000000, 0.0003115000000000 ] - [ -0.0000265900000000, -0.0002368700000000, -0.0002905300000000 ] - [ 0.0004638000000000, 0.0000000000000000, 0.0004239700000000 ] - [ 0.0000568800000000, -0.0001857000000000, 0.0003115000000000 ] - [ 0.0012999000000000, 0.0000000000000000, -0.0015749400000000 ] - [ -0.0003101500000000, 0.0000000000000000, -0.0001412900000000 ] - [ 0.0010312100000000, -0.0000026300000000, 0.0009320100000000 ] - [ -0.0016523600000000, -0.0006768000000000, -0.0005172500000000 ]- atom: 62 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0023223100000000, 0.0000000000000000, -0.0029340500000000 ] - [ 0.0108977600000000, 0.0000000000000000, -0.0056840500000000 ] - [ 0.0096127500000000, -0.0004265600000000, 0.0023667200000000 ] - [ 0.0064922400000000, 0.0000000000000000, 0.0007511100000000 ] - [ -0.0256266300000000, -0.0042296200000000, -0.0016028500000000 ] - [ 0.0006902500000000, 0.0003625100000000, 0.0031104500000000 ] - [ -0.0299751700000000, 0.0000000000000000, -0.0025845200000000 ] - [ 0.0006902500000000, -0.0003625100000000, 0.0031104500000000 ] - [ 0.0075838400000000, 0.0000000000000000, 0.0064685400000000 ] - [ -0.0005981200000000, 0.0000000000000000, -0.0012817100000000 ] - [ -0.0001069100000000, -0.0001007900000000, -0.0006479600000000 ] - [ -0.0000231900000000, 0.0000000000000000, -0.0003015300000000 ] - [ 0.0023963200000000, 0.0000000000000000, -0.0002479600000000 ] - [ 0.0000823700000000, 0.0000000000000000, -0.0004863400000000 ] - [ -0.0001069100000000, 0.0001007900000000, -0.0006479600000000 ] - [ 0.0006097100000000, 0.0000000000000000, -0.0005470400000000 ] - [ 0.0000282700000000, 0.0000360900000000, -0.0000563700000000 ] - [ 0.0007344600000000, 0.0000000000000000, 0.0009988200000000 ] - [ 0.0011180700000000, 0.0004181200000000, -0.0003305000000000 ] - [ -0.0000024800000000, 0.0000000000000000, 0.0006981800000000 ] - [ 0.0000282700000000, -0.0000360900000000, -0.0000563700000000 ] - [ -0.0015926200000000, -0.0001033700000000, 0.0014452200000000 ] - [ 0.0003613000000000, 0.0000000000000000, 0.0001983600000000 ] - [ 0.0017800100000000, 0.0000000000000000, 0.0019537900000000 ] - [ 0.0017592400000000, 0.0000000000000000, 0.0071467500000000 ] - [ -0.0029443800000000, 0.0000000000000000, 0.0027308500000000 ] - [ -0.0256266300000000, 0.0042296200000000, -0.0016028500000000 ] - [ -0.0092020500000000, 0.0000000000000000, -0.0030047900000000 ] - [ 0.0096127500000000, 0.0004265600000000, 0.0023667200000000 ] - [ 0.0015691100000000, -0.0032968700000000, -0.0036722800000000 ] - [ 0.0059248300000000, 0.0000000000000000, -0.0052177900000000 ] - [ 0.0015691100000000, 0.0032968700000000, -0.0036722800000000 ] - [ -0.0481223600000000, 0.0000000000000000, 0.0124589600000000 ] - [ 0.0005759500000000, 0.0000000000000000, 0.0007010200000000 ] - [ 0.0003150900000000, -0.0000234500000000, -0.0003496400000000 ] - [ 0.0001473100000000, 0.0000000000000000, -0.0003607400000000 ] - [ -0.0017839500000000, 0.0000000000000000, 0.0003654600000000 ] - [ -0.0000271800000000, 0.0000000000000000, -0.0004886400000000 ] - [ 0.0003150900000000, 0.0000234500000000, -0.0003496400000000 ] - [ 0.0000736000000000, 0.0000000000000000, -0.0000421000000000 ] - [ 0.0000726500000000, 0.0000239000000000, -0.0001793300000000 ] - [ -0.0005565600000000, 0.0000000000000000, -0.0005915100000000 ] - [ -0.0015926200000000, 0.0001033700000000, 0.0014452200000000 ] - [ 0.0003973000000000, 0.0000000000000000, 0.0001419500000000 ] - [ 0.0000726500000000, -0.0000239000000000, -0.0001793300000000 ] - [ 0.0011180700000000, -0.0004181200000000, -0.0003305000000000 ] - [ 0.0000338100000000, 0.0000000000000000, 0.0002504300000000 ] - [ -0.0022353100000000, 0.0000000000000000, -0.0062075300000000 ] - [ -0.0004143200000000, 0.0000000000000000, 0.0002801000000000 ] - [ 0.0000484000000000, 0.0000000000000000, -0.0001166500000000 ] - [ 0.0003800000000000, 0.0000000000000000, 0.0006891800000000 ] - [ -0.0000730500000000, 0.0000000000000000, -0.0003015600000000 ] - [ 0.0002563600000000, 0.0000000000000000, -0.0007504800000000 ] - [ 0.0000096700000000, 0.0000000000000000, -0.0000394400000000 ] - [ -0.0000954300000000, 0.0000000000000000, 0.0001200200000000 ] - [ 0.0000522500000000, 0.0000000000000000, -0.0004153800000000 ] - [ -0.0041410900000000, 0.0006168900000000, 0.0014050100000000 ] - [ -0.0063274800000000, 0.0000000000000000, -0.0006192500000000 ] - [ 0.0020924200000000, -0.0057424200000000, -0.0092724100000000 ] - [ 0.0026603100000000, 0.0000000000000000, 0.0016977400000000 ] - [ 0.0031192900000000, 0.0035937000000000, -0.0051474100000000 ] - [ 0.1835567300000000, 0.0000000000000000, -0.0035198500000000 ] - [ -0.0058791500000000, 0.0000000000000000, 0.0201078400000000 ] - [ -0.0238947100000000, 0.0174194900000000, -0.0016972700000000 ] - [ -0.0001706200000000, 0.0000000000000000, -0.0017877300000000 ] - [ 0.0031192900000000, -0.0035937000000000, -0.0051474100000000 ] - [ -0.0029170400000000, 0.0000000000000000, -0.0033362100000000 ] - [ -0.0238947100000000, -0.0174194900000000, -0.0016972700000000 ] - [ -0.0000628800000000, 0.0000580100000000, -0.0003506000000000 ] - [ 0.0004455500000000, 0.0000000000000000, -0.0017059100000000 ] - [ -0.0005259300000000, 0.0000000000000000, -0.0029424500000000 ] - [ -0.0000628800000000, -0.0000580100000000, -0.0003506000000000 ] - [ 0.0012482400000000, -0.0007368500000000, 0.0011153300000000 ] - [ -0.0000057600000000, 0.0000000000000000, 0.0002675500000000 ] - [ 0.0001223200000000, 0.0000000000000000, -0.0001327100000000 ] - [ -0.0010854500000000, -0.0000420900000000, -0.0007351900000000 ] - [ -0.0000304700000000, -0.0000423800000000, 0.0002427500000000 ] - [ 0.0000607100000000, 0.0000000000000000, -0.0002191500000000 ] - [ -0.0002409100000000, 0.0000000000000000, -0.0000904600000000 ] - [ 0.0000089300000000, -0.0000299900000000, -0.0004316600000000 ] - [ 0.0001553800000000, 0.0000000000000000, 0.0003027500000000 ] - [ -0.0000106300000000, 0.0000436500000000, 0.0002419500000000 ] - [ 0.0000089300000000, 0.0000299900000000, -0.0004316600000000 ] - [ -0.0001752300000000, 0.0000000000000000, -0.0001342600000000 ] - [ -0.0000556100000000, 0.0001933600000000, -0.0002173300000000 ] - [ 0.0003329300000000, 0.0000000000000000, 0.0001413600000000 ] - [ 0.0000857800000000, 0.0000000000000000, -0.0000751900000000 ] - [ 0.0000454300000000, 0.0000000000000000, -0.0014342000000000 ] - [ 0.0000693200000000, 0.0001699200000000, 0.0004909900000000 ] - [ -0.0000556100000000, -0.0001933600000000, -0.0002173300000000 ] - [ 0.0005368200000000, 0.0000000000000000, 0.0005729300000000 ] - [ 0.0000693200000000, -0.0001699200000000, 0.0004909900000000 ] - [ 0.0003897900000000, 0.0000000000000000, -0.0011333500000000 ] - [ -0.0003162300000000, 0.0000000000000000, 0.0002547300000000 ] - [ 0.0015102500000000, -0.0004295500000000, 0.0014838700000000 ] - [ -0.0011675100000000, -0.0002522300000000, 0.0000243200000000 ] - [ 0.0020924200000000, 0.0057424200000000, -0.0092724100000000 ] - [ 0.0091537500000000, 0.0000000000000000, -0.0005422100000000 ] - [ -0.0041410900000000, -0.0006168900000000, 0.0014050100000000 ] - [ -0.0034257600000000, 0.0000000000000000, -0.0018842500000000 ] - [ -0.0035369800000000, -0.0001477100000000, 0.0000773000000000 ] - [ -0.0108686400000000, 0.0000000000000000, 0.0001463300000000 ] - [ -0.0034278400000000, 0.0000000000000000, -0.0029154000000000 ] - [ -0.0116827300000000, 0.0070045100000000, -0.0014427300000000 ] - [ -0.0009111000000000, 0.0000000000000000, 0.0006097600000000 ] - [ -0.0035369800000000, 0.0001477100000000, 0.0000773000000000 ] - [ 0.0017081100000000, 0.0000000000000000, 0.0017658600000000 ] - [ -0.0116827300000000, -0.0070045100000000, -0.0014427300000000 ] - [ 0.0000102600000000, 0.0000166100000000, 0.0003838000000000 ] - [ -0.0013773500000000, 0.0000000000000000, 0.0022309500000000 ] - [ -0.0054124000000000, 0.0000000000000000, 0.0111008900000000 ] - [ 0.0000102600000000, -0.0000166100000000, 0.0003838000000000 ] - [ -0.0010854500000000, 0.0000420900000000, -0.0007351900000000 ] - [ -0.0000976800000000, 0.0000000000000000, 0.0000245400000000 ] - [ -0.0004746600000000, 0.0000000000000000, -0.0003980000000000 ] - [ 0.0012482400000000, 0.0007368500000000, 0.0011153300000000 ] - [ -0.0000106300000000, -0.0000436500000000, 0.0002419500000000 ] - [ 0.0001949700000000, 0.0000000000000000, -0.0000771200000000 ] - [ 0.0005653200000000, 0.0000000000000000, -0.0000249600000000 ] - [ -0.0001822100000000, -0.0000389600000000, -0.0003975100000000 ] - [ 0.0000616300000000, 0.0000000000000000, 0.0001773200000000 ] - [ -0.0000304700000000, 0.0000423800000000, 0.0002427500000000 ] - [ -0.0001822100000000, 0.0000389600000000, -0.0003975100000000 ] - [ -0.0002129600000000, 0.0000000000000000, -0.0000797100000000 ] - [ 0.0000657100000000, 0.0000889900000000, 0.0006960500000000 ] - [ 0.0004596300000000, 0.0000000000000000, 0.0003271900000000 ] - [ 0.0000430200000000, 0.0000000000000000, -0.0000160200000000 ] - [ -0.0004405100000000, 0.0000000000000000, 0.0015216700000000 ] - [ -0.0000684400000000, 0.0001871700000000, 0.0006019700000000 ] - [ 0.0000657100000000, -0.0000889900000000, 0.0006960500000000 ] - [ -0.0003315000000000, 0.0000000000000000, 0.0006836300000000 ] - [ -0.0000684400000000, -0.0001871700000000, 0.0006019700000000 ] - [ -0.0011897200000000, 0.0000000000000000, 0.0022497700000000 ] - [ 0.0007133700000000, 0.0000000000000000, 0.0002264600000000 ] - [ -0.0011675100000000, 0.0002522300000000, 0.0000243200000000 ] - [ 0.0015102500000000, 0.0004295500000000, 0.0014838700000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001388700000000, -0.0007427800000000, 0.0002964200000000 ] - [ -0.0000553400000000, 0.0050811700000000, -0.0003831300000000 ] - [ -0.0011806200000000, 0.0003441900000000, -0.0011582400000000 ] - [ -0.0001172700000000, 0.0005862700000000, -0.0003620100000000 ] - [ 0.0018698700000000, 0.0085563300000000, -0.0024126200000000 ] - [ 0.0026594900000000, 0.0003162600000000, 0.0018957600000000 ] - [ -0.0001242400000000, 0.0193752200000000, 0.0000130000000000 ] - [ -0.0026938900000000, 0.0003051400000000, -0.0018780700000000 ] - [ -0.0001022800000000, -0.0073327400000000, 0.0000575400000000 ] - [ -0.0000017900000000, 0.0001527400000000, -0.0000199800000000 ] - [ 0.0000883900000000, -0.0000730700000000, -0.0003796700000000 ] - [ 0.0000463300000000, -0.0000024000000000, -0.0002078000000000 ] - [ 0.0003004500000000, 0.0000065300000000, -0.0001115800000000 ] - [ 0.0000282000000000, 0.0000016400000000, -0.0003278000000000 ] - [ 0.0001084100000000, 0.0000746400000000, -0.0003574500000000 ] - [ 0.0003542700000000, 0.0000172100000000, -0.0001633700000000 ] - [ 0.0000595700000000, 0.0000428800000000, 0.0000065400000000 ] - [ -0.0001196400000000, 0.0000140300000000, 0.0002960900000000 ] - [ -0.0000983700000000, 0.0001192000000000, 0.0005094600000000 ] - [ 0.0002066900000000, -0.0000227600000000, 0.0005480000000000 ] - [ 0.0000574200000000, -0.0000418100000000, 0.0000026800000000 ] - [ 0.0000119600000000, -0.0001060800000000, 0.0009354900000000 ] - [ 0.0001971400000000, 0.0000001500000000, 0.0003811600000000 ] - [ 0.0000341800000000, -0.0005277500000000, -0.0001235000000000 ] - [ 0.0001455200000000, 0.0076583100000000, 0.0002951300000000 ] - [ -0.0000267200000000, -0.0090208800000000, -0.0003632300000000 ] - [ -0.0011725500000000, 0.0097327500000000, 0.0014323700000000 ] - [ -0.0001310800000000, -0.0105574600000000, -0.0004245900000000 ] - [ 0.0013451500000000, 0.0002627000000000, 0.0010841600000000 ] - [ 0.0001214400000000, 0.0001054000000000, -0.0000909700000000 ] - [ -0.0000935100000000, -0.0025647500000000, 0.0000768200000000 ] - [ -0.0001644200000000, 0.0000653000000000, 0.0001095600000000 ] - [ 0.0000416000000000, 0.0197637600000000, -0.0000362200000000 ] - [ -0.0000028300000000, 0.0000611400000000, -0.0000225100000000 ] - [ 0.0000879800000000, -0.0000738700000000, -0.0003748300000000 ] - [ 0.0000464600000000, -0.0000018100000000, -0.0002078700000000 ] - [ 0.0003041800000000, -0.0004073700000000, -0.0001120500000000 ] - [ 0.0000281900000000, 0.0000013100000000, -0.0003277300000000 ] - [ 0.0001081300000000, 0.0000741600000000, -0.0003629000000000 ] - [ 0.0003546900000000, 0.0000184500000000, -0.0001638200000000 ] - [ 0.0000594900000000, 0.0000429900000000, 0.0000052800000000 ] - [ -0.0001212400000000, -0.0002029300000000, 0.0002957500000000 ] - [ -0.0002323400000000, 0.0001300100000000, 0.0000189500000000 ] - [ 0.0002070100000000, -0.0000172700000000, 0.0005474600000000 ] - [ 0.0000573600000000, -0.0000417300000000, 0.0000038000000000 ] - [ -0.0001175600000000, -0.0001181400000000, 0.0004409600000000 ] - [ 0.0001967800000000, 0.0000019700000000, 0.0003814300000000 ] - [ 0.0000275500000000, 0.0001873200000000, -0.0001348300000000 ] - [ -0.0000838400000000, -0.0000332200000000, -0.0002112200000000 ] - [ 0.0000288000000000, -0.0000035300000000, 0.0000177000000000 ] - [ 0.0001320200000000, 0.0000091400000000, 0.0005134400000000 ] - [ -0.0000108600000000, 0.0000014900000000, -0.0002600400000000 ] - [ -0.0000845100000000, -0.0000274600000000, -0.0002111900000000 ] - [ 0.0000287800000000, -0.0000035600000000, 0.0000176400000000 ] - [ 0.0001314400000000, 0.0000309500000000, 0.0005131900000000 ] - [ -0.0000109000000000, 0.0000015300000000, -0.0002599200000000 ] - [ -0.0005550600000000, 0.0001489400000000, 0.0009597600000000 ] - [ -0.0001014700000000, -0.0014050600000000, -0.0002591000000000 ] - [ 0.0064490800000000, 0.0048268400000000, 0.0112707600000000 ] - [ -0.0003285900000000, 0.0025706300000000, -0.0005236100000000 ] - [ -0.0057862700000000, 0.0047912500000000, -0.0104826400000000 ] - [ -0.0009069900000000, -0.1109746300000000, 0.0011620800000000 ] - [ -0.0002420900000000, -0.0041291600000000, -0.0000287300000000 ] - [ -0.0150549700000000, 0.0054035500000000, -0.0001203600000000 ] - [ -0.0004508800000000, -0.0011868200000000, -0.0003700400000000 ] - [ 0.0055667000000000, 0.0049954100000000, 0.0098954500000000 ] - [ -0.0000844200000000, -0.0014401200000000, -0.0002279300000000 ] - [ 0.0149983600000000, 0.0053588000000000, -0.0002114200000000 ] - [ -0.0000401900000000, 0.0000448600000000, -0.0000946000000000 ] - [ 0.0001965900000000, 0.0008463100000000, -0.0000813300000000 ] - [ 0.0002864900000000, 0.0020389200000000, 0.0001109200000000 ] - [ -0.0000085800000000, -0.0000399500000000, -0.0000204100000000 ] - [ 0.0001485100000000, -0.0002262800000000, -0.0001273900000000 ] - [ -0.0000520200000000, -0.0000049400000000, 0.0000630300000000 ] - [ -0.0001826600000000, -0.0000161400000000, -0.0003430800000000 ] - [ -0.0000109700000000, 0.0001493900000000, 0.0000217000000000 ] - [ -0.0000203600000000, -0.0000427700000000, 0.0001496200000000 ] - [ 0.0001330200000000, 0.0000034800000000, -0.0002434100000000 ] - [ 0.0001711900000000, 0.0000004400000000, -0.0002208100000000 ] - [ -0.0000882600000000, -0.0000310900000000, -0.0005114400000000 ] - [ 0.0001091800000000, -0.0000012600000000, 0.0001541900000000 ] - [ -0.0000211200000000, 0.0000432100000000, 0.0001515400000000 ] - [ -0.0000905000000000, 0.0000299400000000, -0.0005061100000000 ] - [ -0.0001945400000000, -0.0000003500000000, -0.0001988700000000 ] - [ -0.0000098000000000, 0.0001715400000000, 0.0001369800000000 ] - [ 0.0004069500000000, 0.0000060000000000, 0.0001447700000000 ] - [ 0.0000639000000000, 0.0000006600000000, -0.0001362800000000 ] - [ -0.0000450600000000, -0.0009666800000000, 0.0003670200000000 ] - [ -0.0000041500000000, 0.0001868300000000, 0.0004506900000000 ] - [ 0.0000500100000000, -0.0001542300000000, 0.0002635800000000 ] - [ 0.0000668000000000, -0.0000216500000000, 0.0005525700000000 ] - [ -0.0000075600000000, -0.0001859900000000, 0.0004581700000000 ] - [ 0.0000573300000000, 0.0006814900000000, 0.0003355400000000 ] - [ 0.0002010800000000, -0.0000099000000000, 0.0000391500000000 ] - [ 0.0001766100000000, 0.0001396800000000, 0.0002574300000000 ] - [ -0.0000619900000000, -0.0001275300000000, 0.0004326400000000 ] - [ -0.0065135800000000, 0.0048865800000000, -0.0111684100000000 ] - [ -0.0001119700000000, 0.0368003800000000, -0.0002784500000000 ] - [ 0.0005380800000000, 0.0000712300000000, -0.0007450800000000 ] - [ -0.0003458100000000, -0.0014887900000000, -0.0005114300000000 ] - [ -0.0001961600000000, -0.0002671300000000, 0.0001556100000000 ] - [ -0.0001960300000000, 0.0020367500000000, 0.0000121400000000 ] - [ -0.0002217400000000, 0.0014891200000000, -0.0000642200000000 ] - [ -0.0066723400000000, 0.0030084900000000, -0.0008449500000000 ] - [ -0.0004515800000000, 0.0000407000000000, -0.0003696100000000 ] - [ -0.0000582600000000, -0.0000347900000000, -0.0008171300000000 ] - [ -0.0000888500000000, 0.0012186900000000, -0.0002177700000000 ] - [ 0.0064467200000000, 0.0029968300000000, 0.0005129600000000 ] - [ -0.0000087900000000, 0.0000357700000000, -0.0000915900000000 ] - [ 0.0002016100000000, 0.0000045600000000, -0.0000878800000000 ] - [ 0.0003147700000000, -0.0034872000000000, 0.0000807000000000 ] - [ -0.0000401700000000, -0.0000493800000000, -0.0000247000000000 ] - [ -0.0000931900000000, -0.0001482300000000, 0.0000236300000000 ] - [ -0.0000519500000000, -0.0000066900000000, 0.0000631900000000 ] - [ -0.0001822600000000, -0.0000032200000000, -0.0003427300000000 ] - [ -0.0002562400000000, 0.0000671700000000, 0.0001697400000000 ] - [ -0.0000203600000000, -0.0000429900000000, 0.0001495600000000 ] - [ 0.0001329200000000, 0.0000022100000000, -0.0002434700000000 ] - [ 0.0001702600000000, 0.0000070600000000, -0.0002204900000000 ] - [ -0.0000870400000000, -0.0000310400000000, -0.0005115600000000 ] - [ 0.0001090900000000, -0.0000028600000000, 0.0001542200000000 ] - [ -0.0000209900000000, 0.0000432400000000, 0.0001513200000000 ] - [ -0.0000913400000000, 0.0000300400000000, -0.0005061600000000 ] - [ -0.0001942600000000, -0.0000003100000000, -0.0001989900000000 ] - [ 0.0000566700000000, 0.0001743800000000, 0.0001668700000000 ] - [ 0.0004071300000000, 0.0000026900000000, 0.0001449700000000 ] - [ 0.0000639500000000, 0.0000005200000000, -0.0001362700000000 ] - [ -0.0000435900000000, 0.0000778300000000, 0.0003698200000000 ] - [ -0.0000033400000000, 0.0001866000000000, 0.0004515400000000 ] - [ -0.0000158600000000, -0.0001510800000000, 0.0002353400000000 ] - [ 0.0000661900000000, 0.0000150400000000, 0.0005527400000000 ] - [ -0.0000086400000000, -0.0001862700000000, 0.0004576400000000 ] - [ 0.0000554100000000, -0.0000301000000000, 0.0003397800000000 ] - [ 0.0002020600000000, 0.0000272300000000, 0.0000387100000000 ] - [ -0.0000789900000000, 0.0001214000000000, 0.0005285300000000 ] - [ -0.0003128100000000, -0.0001070200000000, 0.0007052200000000 ]- atom: 62 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0020861200000000, 0.0000000000000000, 0.0018603800000000 ] - [ 0.0036817500000000, 0.0000000000000000, 0.0084455900000000 ] - [ -0.0014936700000000, -0.0001601400000000, 0.0052955600000000 ] - [ -0.0009669600000000, 0.0000000000000000, 0.0042276100000000 ] - [ 0.0054038400000000, -0.0032018100000000, 0.0226064100000000 ] - [ -0.0055367100000000, -0.0008113600000000, -0.0027517300000000 ] - [ 0.0071096100000000, 0.0000000000000000, 0.0334962300000000 ] - [ -0.0055367100000000, 0.0008113600000000, -0.0027517300000000 ] - [ -0.0026515600000000, 0.0000000000000000, 0.0068196300000000 ] - [ 0.0003848500000000, 0.0000000000000000, -0.0027700500000000 ] - [ 0.0001391100000000, -0.0001652700000000, -0.0025627000000000 ] - [ 0.0002856100000000, 0.0000000000000000, -0.0023497700000000 ] - [ 0.0003402600000000, 0.0000000000000000, -0.0014116500000000 ] - [ 0.0000166500000000, 0.0000000000000000, -0.0030051200000000 ] - [ 0.0001391100000000, 0.0001652700000000, -0.0025627000000000 ] - [ 0.0005475200000000, 0.0000000000000000, -0.0021995800000000 ] - [ -0.0000840400000000, -0.0001397700000000, -0.0021202100000000 ] - [ -0.0012709800000000, 0.0000000000000000, -0.0013611000000000 ] - [ 0.0001622700000000, 0.0005765700000000, -0.0008356600000000 ] - [ 0.0001265000000000, 0.0000000000000000, -0.0020987900000000 ] - [ -0.0000840400000000, 0.0001397700000000, -0.0021202100000000 ] - [ -0.0000988700000000, -0.0002421000000000, -0.0026635000000000 ] - [ 0.0001135100000000, 0.0000000000000000, -0.0017102800000000 ] - [ -0.0025598200000000, 0.0000000000000000, -0.0007520800000000 ] - [ -0.0079226000000000, 0.0000000000000000, -0.0042615800000000 ] - [ -0.0050110600000000, 0.0000000000000000, 0.0125361200000000 ] - [ 0.0054038400000000, 0.0032018100000000, 0.0226064100000000 ] - [ 0.0056245300000000, 0.0000000000000000, 0.0077306500000000 ] - [ -0.0014936700000000, 0.0001601400000000, 0.0052955600000000 ] - [ 0.0025693600000000, -0.0028670500000000, -0.0013282200000000 ] - [ 0.0003795000000000, 0.0000000000000000, 0.0070203300000000 ] - [ 0.0025693600000000, 0.0028670500000000, -0.0013282200000000 ] - [ -0.0014728200000000, 0.0000000000000000, 0.0282502100000000 ] - [ -0.0011318300000000, 0.0000000000000000, -0.0023786900000000 ] - [ -0.0001242600000000, -0.0001682200000000, -0.0024085600000000 ] - [ 0.0002101300000000, 0.0000000000000000, -0.0022578300000000 ] - [ 0.0012410000000000, 0.0000000000000000, -0.0032300700000000 ] - [ 0.0000327700000000, 0.0000000000000000, -0.0030550000000000 ] - [ -0.0001242600000000, 0.0001682200000000, -0.0024085600000000 ] - [ 0.0004412100000000, 0.0000000000000000, -0.0024061800000000 ] - [ 0.0000065700000000, -0.0001308100000000, -0.0020681500000000 ] - [ 0.0010788800000000, 0.0000000000000000, -0.0017306800000000 ] - [ -0.0000988700000000, 0.0002421000000000, -0.0026635000000000 ] - [ 0.0003608700000000, 0.0000000000000000, -0.0017752800000000 ] - [ 0.0000065700000000, 0.0001308100000000, -0.0020681500000000 ] - [ 0.0001622700000000, -0.0005765700000000, -0.0008356600000000 ] - [ 0.0002626200000000, 0.0000000000000000, -0.0020425900000000 ] - [ 0.0008898200000000, 0.0000000000000000, -0.0056635000000000 ] - [ -0.0001942100000000, 0.0000000000000000, -0.0020729600000000 ] - [ 0.0000334400000000, 0.0000000000000000, -0.0016217100000000 ] - [ -0.0001877600000000, 0.0000000000000000, -0.0011077900000000 ] - [ -0.0000226700000000, 0.0000000000000000, -0.0019918900000000 ] - [ 0.0001485900000000, 0.0000000000000000, -0.0014143500000000 ] - [ 0.0000253400000000, 0.0000000000000000, -0.0016386100000000 ] - [ 0.0003504200000000, 0.0000000000000000, -0.0012958400000000 ] - [ 0.0000110800000000, 0.0000000000000000, -0.0019309900000000 ] - [ -0.0009018000000000, 0.0001074300000000, -0.0025260900000000 ] - [ 0.0005954900000000, 0.0000000000000000, -0.0045668700000000 ] - [ 0.0098256800000000, 0.0129455100000000, 0.0119531000000000 ] - [ -0.0027782400000000, 0.0000000000000000, -0.0031012700000000 ] - [ 0.0080087700000000, -0.0094306600000000, 0.0102480100000000 ] - [ -0.0256054300000000, 0.0000000000000000, -0.1461367900000000 ] - [ -0.0160628100000000, 0.0000000000000000, 0.0132127800000000 ] - [ 0.0017289900000000, -0.0006427300000000, -0.0089459500000000 ] - [ 0.0005390300000000, 0.0000000000000000, 0.0015762400000000 ] - [ 0.0080087700000000, 0.0094306600000000, 0.0102480100000000 ] - [ 0.0033369200000000, 0.0000000000000000, -0.0019458000000000 ] - [ 0.0017289900000000, 0.0006427300000000, -0.0089459500000000 ] - [ 0.0001900300000000, 0.0000140500000000, 0.0015245000000000 ] - [ 0.0015120700000000, 0.0000000000000000, 0.0028668000000000 ] - [ 0.0039514700000000, 0.0000000000000000, -0.0022799100000000 ] - [ 0.0001900300000000, -0.0000140500000000, 0.0015245000000000 ] - [ -0.0004542500000000, -0.0001924300000000, 0.0016100500000000 ] - [ -0.0000868600000000, 0.0000000000000000, 0.0015686900000000 ] - [ -0.0002918100000000, 0.0000000000000000, 0.0012061800000000 ] - [ 0.0007469400000000, 0.0001428100000000, 0.0008393700000000 ] - [ -0.0000117700000000, -0.0000453200000000, 0.0017066200000000 ] - [ 0.0001586900000000, 0.0000000000000000, 0.0013106900000000 ] - [ 0.0001699300000000, 0.0000000000000000, 0.0014433400000000 ] - [ -0.0000775800000000, -0.0000513100000000, 0.0010778000000000 ] - [ 0.0000554500000000, 0.0000000000000000, 0.0016888100000000 ] - [ -0.0000327600000000, 0.0000449500000000, 0.0017072200000000 ] - [ -0.0000775800000000, 0.0000513100000000, 0.0010778000000000 ] - [ -0.0001742000000000, 0.0000000000000000, 0.0013764000000000 ] - [ 0.0003563800000000, 0.0001437400000000, 0.0018755000000000 ] - [ 0.0004024200000000, 0.0000000000000000, 0.0016767600000000 ] - [ 0.0000810800000000, 0.0000000000000000, 0.0014036700000000 ] - [ 0.0009592000000000, 0.0000000000000000, 0.0031523900000000 ] - [ 0.0000489000000000, 0.0001124400000000, 0.0020374900000000 ] - [ 0.0003563800000000, -0.0001437400000000, 0.0018755000000000 ] - [ 0.0000790400000000, 0.0000000000000000, 0.0022864000000000 ] - [ 0.0000489000000000, -0.0001124400000000, 0.0020374900000000 ] - [ 0.0006144200000000, 0.0000000000000000, 0.0025772300000000 ] - [ 0.0001262900000000, 0.0000000000000000, 0.0015082300000000 ] - [ -0.0004538100000000, -0.0005556900000000, 0.0023467300000000 ] - [ 0.0005198100000000, -0.0000890900000000, 0.0009208900000000 ] - [ 0.0098256800000000, -0.0129455100000000, 0.0119531000000000 ] - [ -0.0014779800000000, 0.0000000000000000, -0.0125432800000000 ] - [ -0.0009018000000000, -0.0001074300000000, -0.0025260900000000 ] - [ 0.0029760300000000, 0.0000000000000000, -0.0031169200000000 ] - [ -0.0013227400000000, 0.0007464800000000, -0.0029864900000000 ] - [ 0.0011967500000000, 0.0000000000000000, -0.0038079300000000 ] - [ 0.0028228200000000, 0.0000000000000000, -0.0030798200000000 ] - [ 0.0010024800000000, -0.0005058000000000, -0.0069831300000000 ] - [ -0.0009413900000000, 0.0000000000000000, -0.0002787600000000 ] - [ -0.0013227400000000, -0.0007464800000000, -0.0029864900000000 ] - [ -0.0027092100000000, 0.0000000000000000, -0.0023925600000000 ] - [ 0.0010024800000000, 0.0005058000000000, -0.0069831300000000 ] - [ -0.0001812100000000, 0.0000405800000000, 0.0013835100000000 ] - [ -0.0012365100000000, 0.0000000000000000, 0.0016559500000000 ] - [ -0.0083634900000000, 0.0000000000000000, 0.0070306500000000 ] - [ -0.0001812100000000, -0.0000405800000000, 0.0013835100000000 ] - [ 0.0007469400000000, -0.0001428100000000, 0.0008393700000000 ] - [ 0.0000172900000000, 0.0000000000000000, 0.0015825500000000 ] - [ -0.0001007700000000, 0.0000000000000000, 0.0009157200000000 ] - [ -0.0004542500000000, 0.0001924300000000, 0.0016100500000000 ] - [ -0.0000327600000000, -0.0000449500000000, 0.0017072200000000 ] - [ 0.0000765100000000, 0.0000000000000000, 0.0013144500000000 ] - [ 0.0001270700000000, 0.0000000000000000, 0.0017672400000000 ] - [ -0.0000909500000000, -0.0000496500000000, 0.0009881400000000 ] - [ 0.0001691600000000, 0.0000000000000000, 0.0016916200000000 ] - [ -0.0000117700000000, 0.0000453200000000, 0.0017066200000000 ] - [ -0.0000909500000000, 0.0000496500000000, 0.0009881400000000 ] - [ -0.0002107100000000, 0.0000000000000000, 0.0013303100000000 ] - [ -0.0002804400000000, 0.0000728400000000, 0.0015822000000000 ] - [ 0.0002510500000000, 0.0000000000000000, 0.0016538400000000 ] - [ 0.0000460200000000, 0.0000000000000000, 0.0013496800000000 ] - [ -0.0005858900000000, 0.0000000000000000, 0.0006828400000000 ] - [ 0.0000107900000000, 0.0001166900000000, 0.0018811300000000 ] - [ -0.0002804400000000, -0.0000728400000000, 0.0015822000000000 ] - [ 0.0000289000000000, 0.0000000000000000, 0.0016743300000000 ] - [ 0.0000107900000000, -0.0001166900000000, 0.0018811300000000 ] - [ -0.0013444200000000, 0.0000000000000000, 0.0019829600000000 ] - [ 0.0001362200000000, 0.0000000000000000, 0.0021026100000000 ] - [ 0.0005198100000000, 0.0000890900000000, 0.0009208900000000 ] - [ -0.0004538100000000, 0.0005556900000000, 0.0023467300000000 ]- atom: 62 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0018017200000000, 0.0000000000000000, -0.0012851700000000 ] - [ -0.0038167500000000, 0.0000000000000000, -0.0092735500000000 ] - [ 0.0016396200000000, 0.0002435200000000, -0.0054004300000000 ] - [ 0.0007325600000000, 0.0000000000000000, -0.0049178300000000 ] - [ -0.0048820300000000, 0.0025575100000000, -0.0231255900000000 ] - [ 0.0054738300000000, 0.0008162700000000, 0.0027651800000000 ] - [ -0.0055138000000000, 0.0000000000000000, -0.0319647000000000 ] - [ 0.0054738300000000, -0.0008162700000000, 0.0027651800000000 ] - [ 0.0024538500000000, 0.0000000000000000, -0.0066487500000000 ] - [ -0.0003870400000000, 0.0000000000000000, 0.0027225100000000 ] - [ 0.0000580700000000, 0.0000174800000000, 0.0018229500000000 ] - [ -0.0001924000000000, 0.0000000000000000, 0.0019313300000000 ] - [ 0.0002621200000000, 0.0000000000000000, 0.0011895500000000 ] - [ 0.0000398300000000, 0.0000000000000000, 0.0023461200000000 ] - [ 0.0000580700000000, -0.0000174800000000, 0.0018229500000000 ] - [ 0.0001622000000000, 0.0000000000000000, 0.0018703900000000 ] - [ 0.0002012400000000, 0.0002242700000000, 0.0021264900000000 ] - [ 0.0010316800000000, 0.0000000000000000, 0.0019454800000000 ] - [ -0.0003814800000000, -0.0003447800000000, 0.0017808100000000 ] - [ 0.0002878400000000, 0.0000000000000000, 0.0031905200000000 ] - [ 0.0002012400000000, -0.0002242700000000, 0.0021264900000000 ] - [ -0.0001179400000000, 0.0000092300000000, 0.0036149100000000 ] - [ 0.0002810100000000, 0.0000000000000000, 0.0024684700000000 ] - [ 0.0026376900000000, 0.0000000000000000, 0.0004920600000000 ] - [ 0.0082349400000000, 0.0000000000000000, 0.0048503500000000 ] - [ 0.0048857500000000, 0.0000000000000000, -0.0134138600000000 ] - [ -0.0048820300000000, -0.0025575100000000, -0.0231255900000000 ] - [ -0.0058204800000000, 0.0000000000000000, -0.0083667000000000 ] - [ 0.0016396200000000, -0.0002435200000000, -0.0054004300000000 ] - [ -0.0025985300000000, 0.0028710100000000, 0.0013521900000000 ] - [ -0.0005859100000000, 0.0000000000000000, -0.0068030400000000 ] - [ -0.0025985300000000, -0.0028710100000000, 0.0013521900000000 ] - [ 0.0013337600000000, 0.0000000000000000, -0.0281735100000000 ] - [ 0.0011207800000000, 0.0000000000000000, 0.0023310400000000 ] - [ 0.0003196200000000, 0.0000202700000000, 0.0016692400000000 ] - [ -0.0001166400000000, 0.0000000000000000, 0.0018390000000000 ] - [ -0.0006289300000000, 0.0000000000000000, 0.0029967300000000 ] - [ 0.0000239100000000, 0.0000000000000000, 0.0023957900000000 ] - [ 0.0003196200000000, -0.0000202700000000, 0.0016692400000000 ] - [ 0.0002685400000000, 0.0000000000000000, 0.0020754500000000 ] - [ 0.0001102000000000, 0.0002152900000000, 0.0020744900000000 ] - [ -0.0013257000000000, 0.0000000000000000, 0.0023170600000000 ] - [ -0.0001179400000000, -0.0000092300000000, 0.0036149100000000 ] - [ 0.0000524900000000, 0.0000000000000000, 0.0028661500000000 ] - [ 0.0001102000000000, -0.0002152900000000, 0.0020744900000000 ] - [ -0.0003814800000000, 0.0003447800000000, 0.0017808100000000 ] - [ 0.0001314500000000, 0.0000000000000000, 0.0028020000000000 ] - [ -0.0008238400000000, 0.0000000000000000, 0.0054229900000000 ] - [ 0.0000259200000000, 0.0000000000000000, 0.0016465400000000 ] - [ 0.0000244500000000, 0.0000000000000000, 0.0016549800000000 ] - [ 0.0004528200000000, 0.0000000000000000, 0.0021314000000000 ] - [ 0.0000009700000000, 0.0000000000000000, 0.0014691300000000 ] - [ -0.0003157800000000, 0.0000000000000000, 0.0009918600000000 ] - [ 0.0000323900000000, 0.0000000000000000, 0.0016718300000000 ] - [ -0.0000870200000000, 0.0000000000000000, 0.0023204600000000 ] - [ -0.0000327100000000, 0.0000000000000000, 0.0014089700000000 ] - [ 0.0008914600000000, -0.0000361500000000, 0.0027602000000000 ] - [ -0.0007984300000000, 0.0000000000000000, 0.0040468400000000 ] - [ -0.0099869800000000, -0.0132660600000000, -0.0119340100000000 ] - [ 0.0020949500000000, 0.0000000000000000, 0.0021026900000000 ] - [ -0.0081629800000000, 0.0090430200000000, -0.0107476500000000 ] - [ 0.0225901000000000, 0.0000000000000000, 0.1459233300000000 ] - [ 0.0158653400000000, 0.0000000000000000, -0.0135345700000000 ] - [ -0.0019714400000000, 0.0006974600000000, 0.0086069000000000 ] - [ -0.0014372200000000, 0.0000000000000000, -0.0023169100000000 ] - [ -0.0081629800000000, -0.0090430200000000, -0.0107476500000000 ] - [ -0.0034823800000000, 0.0000000000000000, 0.0014748600000000 ] - [ -0.0019714400000000, -0.0006974600000000, 0.0086069000000000 ] - [ -0.0002374000000000, 0.0000703400000000, -0.0016403600000000 ] - [ -0.0011092300000000, 0.0000000000000000, -0.0030226500000000 ] - [ -0.0033509500000000, 0.0000000000000000, 0.0024753100000000 ] - [ -0.0002374000000000, -0.0000703400000000, -0.0016403600000000 ] - [ 0.0003450300000000, -0.0001057800000000, -0.0015693300000000 ] - [ -0.0000169700000000, 0.0000000000000000, -0.0014434900000000 ] - [ -0.0000734200000000, 0.0000000000000000, -0.0018938900000000 ] - [ -0.0008478000000000, 0.0001565700000000, -0.0008007200000000 ] - [ -0.0000301500000000, -0.0000421400000000, -0.0014056300000000 ] - [ 0.0001060200000000, 0.0000000000000000, -0.0017962800000000 ] - [ 0.0001723100000000, 0.0000000000000000, -0.0018839600000000 ] - [ -0.0001000600000000, -0.0000112600000000, -0.0020941200000000 ] - [ 0.0001631800000000, 0.0000000000000000, -0.0013764200000000 ] - [ -0.0000093400000000, 0.0000427600000000, -0.0014063200000000 ] - [ -0.0001000600000000, 0.0000112600000000, -0.0020941200000000 ] - [ -0.0002129800000000, 0.0000000000000000, -0.0017739600000000 ] - [ -0.0003173700000000, 0.0001815500000000, -0.0014715900000000 ] - [ 0.0004112000000000, 0.0000000000000000, -0.0013847300000000 ] - [ 0.0000470500000000, 0.0000000000000000, -0.0016743300000000 ] - [ -0.0010500900000000, 0.0000000000000000, -0.0024073400000000 ] - [ -0.0000603200000000, 0.0002600400000000, -0.0011261900000000 ] - [ -0.0003173700000000, -0.0001815500000000, -0.0014715900000000 ] - [ 0.0000550500000000, 0.0000000000000000, -0.0011788800000000 ] - [ -0.0000603200000000, -0.0002600400000000, -0.0011261900000000 ] - [ -0.0005039100000000, 0.0000000000000000, -0.0019050400000000 ] - [ 0.0002781100000000, 0.0000000000000000, -0.0014265500000000 ] - [ 0.0003157900000000, 0.0008053800000000, -0.0013823600000000 ] - [ -0.0006592500000000, -0.0001577600000000, 0.0000492900000000 ] - [ -0.0099869800000000, 0.0132660600000000, -0.0119340100000000 ] - [ 0.0012636300000000, 0.0000000000000000, 0.0120287900000000 ] - [ 0.0008914600000000, 0.0000361500000000, 0.0027602000000000 ] - [ -0.0036671900000000, 0.0000000000000000, 0.0021149500000000 ] - [ 0.0010580800000000, -0.0009693900000000, 0.0023027300000000 ] - [ -0.0015729000000000, 0.0000000000000000, 0.0038284300000000 ] - [ -0.0032769800000000, 0.0000000000000000, 0.0029781000000000 ] - [ -0.0011161500000000, 0.0004962500000000, 0.0066638100000000 ] - [ 0.0000365600000000, 0.0000000000000000, -0.0004734200000000 ] - [ 0.0010580800000000, 0.0009693900000000, 0.0023027300000000 ] - [ 0.0025330500000000, 0.0000000000000000, 0.0019166500000000 ] - [ -0.0011161500000000, -0.0004962500000000, 0.0066638100000000 ] - [ 0.0001317700000000, 0.0000441600000000, -0.0015009500000000 ] - [ 0.0016274600000000, 0.0000000000000000, -0.0018241500000000 ] - [ 0.0088488800000000, 0.0000000000000000, -0.0067529000000000 ] - [ 0.0001317700000000, -0.0000441600000000, -0.0015009500000000 ] - [ -0.0008478000000000, -0.0001565700000000, -0.0008007200000000 ] - [ -0.0001205200000000, 0.0000000000000000, -0.0014571400000000 ] - [ -0.0002627600000000, 0.0000000000000000, -0.0016045500000000 ] - [ 0.0003450300000000, 0.0001057800000000, -0.0015693300000000 ] - [ -0.0000093400000000, -0.0000427600000000, -0.0014063200000000 ] - [ 0.0001876100000000, 0.0000000000000000, -0.0018000300000000 ] - [ 0.0002139400000000, 0.0000000000000000, -0.0022057100000000 ] - [ -0.0000864800000000, -0.0000130300000000, -0.0020050900000000 ] - [ 0.0000491600000000, 0.0000000000000000, -0.0013789400000000 ] - [ -0.0000301500000000, 0.0000421400000000, -0.0014056300000000 ] - [ -0.0000864800000000, 0.0000130300000000, -0.0020050900000000 ] - [ -0.0001756800000000, 0.0000000000000000, -0.0017282600000000 ] - [ 0.0003216200000000, 0.0002525400000000, -0.0011778200000000 ] - [ 0.0005630200000000, 0.0000000000000000, -0.0013617000000000 ] - [ 0.0000822600000000, 0.0000000000000000, -0.0016201500000000 ] - [ 0.0004991300000000, 0.0000000000000000, 0.0000693500000000 ] - [ -0.0000220900000000, 0.0002557600000000, -0.0009692600000000 ] - [ 0.0003216200000000, -0.0002525400000000, -0.0011778200000000 ] - [ 0.0001057200000000, 0.0000000000000000, -0.0005647100000000 ] - [ -0.0000220900000000, -0.0002557600000000, -0.0009692600000000 ] - [ 0.0014650100000000, 0.0000000000000000, -0.0013101200000000 ] - [ 0.0002675700000000, 0.0000000000000000, -0.0020231700000000 ] - [ -0.0006592500000000, 0.0001577600000000, 0.0000492900000000 ] - [ 0.0003157900000000, -0.0008053800000000, -0.0013823600000000 ]- atom: 63 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0064024500000000, 0.0000000000000000, 0.0037652300000000 ] - [ 0.0221262300000000, 0.0000000000000000, -0.0018182500000000 ] - [ -0.0091865500000000, -0.0006160600000000, -0.0024821200000000 ] - [ -0.0013760000000000, 0.0000000000000000, -0.0024274600000000 ] - [ 0.0242946300000000, 0.0006691000000000, 0.0003034700000000 ] - [ 0.0009798600000000, -0.0001184400000000, -0.0006382100000000 ] - [ 0.0075626500000000, 0.0000000000000000, 0.0000493300000000 ] - [ 0.0009798600000000, 0.0001184400000000, -0.0006382100000000 ] - [ -0.0009833000000000, 0.0000000000000000, -0.0027494700000000 ] - [ -0.0000396600000000, 0.0000000000000000, 0.0001765100000000 ] - [ 0.0001007200000000, -0.0000715400000000, -0.0003340600000000 ] - [ 0.0002529000000000, 0.0000000000000000, -0.0004082200000000 ] - [ -0.0000316400000000, 0.0000000000000000, -0.0002614900000000 ] - [ 0.0000625700000000, 0.0000000000000000, -0.0003415500000000 ] - [ 0.0001007200000000, 0.0000715400000000, -0.0003340600000000 ] - [ 0.0002898500000000, 0.0000000000000000, -0.0001405200000000 ] - [ -0.0001214900000000, 0.0000507000000000, -0.0000905400000000 ] - [ -0.0032530900000000, 0.0000000000000000, 0.0000497400000000 ] - [ -0.0017724300000000, -0.0020315000000000, 0.0033241000000000 ] - [ -0.0002145700000000, 0.0000000000000000, -0.0000806800000000 ] - [ -0.0001214900000000, -0.0000507000000000, -0.0000905400000000 ] - [ -0.0010087900000000, 0.0001235800000000, -0.0019874300000000 ] - [ -0.0000521000000000, 0.0000000000000000, 0.0011110200000000 ] - [ -0.0045458100000000, 0.0000000000000000, -0.0003410300000000 ] - [ -0.0111796100000000, 0.0000000000000000, -0.0032702000000000 ] - [ -0.0059103400000000, 0.0000000000000000, 0.0056997300000000 ] - [ 0.0242946300000000, -0.0006691000000000, 0.0003034700000000 ] - [ 0.0011022600000000, 0.0000000000000000, 0.0018847400000000 ] - [ -0.0091865500000000, 0.0006160600000000, -0.0024821200000000 ] - [ -0.0008261900000000, 0.0003454700000000, 0.0005396800000000 ] - [ -0.0031594700000000, 0.0000000000000000, 0.0003616400000000 ] - [ -0.0008261900000000, -0.0003454700000000, 0.0005396800000000 ] - [ -0.0059249600000000, 0.0000000000000000, 0.0027998700000000 ] - [ 0.0000797000000000, 0.0000000000000000, -0.0002432100000000 ] - [ 0.0000977400000000, -0.0000804900000000, -0.0004273500000000 ] - [ -0.0001406700000000, 0.0000000000000000, -0.0000558000000000 ] - [ 0.0005666100000000, 0.0000000000000000, 0.0000004000000000 ] - [ -0.0000112900000000, 0.0000000000000000, -0.0003427600000000 ] - [ 0.0000977400000000, 0.0000804900000000, -0.0004273500000000 ] - [ 0.0004211600000000, 0.0000000000000000, -0.0002041500000000 ] - [ 0.0002097200000000, 0.0000594200000000, 0.0000911200000000 ] - [ 0.0044280300000000, 0.0000000000000000, -0.0004055800000000 ] - [ -0.0010087900000000, -0.0001235800000000, -0.0019874300000000 ] - [ 0.0003335300000000, 0.0000000000000000, 0.0011453800000000 ] - [ 0.0002097200000000, -0.0000594200000000, 0.0000911200000000 ] - [ -0.0017724300000000, 0.0020315000000000, 0.0033241000000000 ] - [ 0.0005717000000000, 0.0000000000000000, -0.0003646800000000 ] - [ 0.0222971600000000, 0.0000000000000000, -0.0003362400000000 ] - [ 0.0000146400000000, 0.0000000000000000, -0.0002641200000000 ] - [ -0.0000052000000000, 0.0000000000000000, 0.0000471200000000 ] - [ -0.0007019500000000, 0.0000000000000000, 0.0005195300000000 ] - [ 0.0000043500000000, 0.0000000000000000, -0.0003011900000000 ] - [ -0.0001813200000000, 0.0000000000000000, -0.0001755900000000 ] - [ 0.0000672100000000, 0.0000000000000000, -0.0000287300000000 ] - [ 0.0014714500000000, 0.0000000000000000, 0.0005098300000000 ] - [ -0.0000261800000000, 0.0000000000000000, -0.0002363300000000 ] - [ 0.0139346700000000, -0.0085223600000000, 0.0028836800000000 ] - [ 0.0030511200000000, 0.0000000000000000, 0.0026586900000000 ] - [ 0.0145789800000000, 0.0100937700000000, -0.0028994900000000 ] - [ -0.0094489600000000, 0.0000000000000000, 0.0007167500000000 ] - [ -0.0022538300000000, 0.0001947100000000, -0.0008871200000000 ] - [ 0.0054392800000000, 0.0000000000000000, -0.0168549400000000 ] - [ -0.1279742600000000, 0.0000000000000000, -0.0018114200000000 ] - [ -0.0030787000000000, -0.0053759100000000, 0.0090300200000000 ] - [ -0.0007480400000000, 0.0000000000000000, -0.0002478400000000 ] - [ -0.0022538300000000, -0.0001947100000000, -0.0008871200000000 ] - [ -0.0003482300000000, 0.0000000000000000, 0.0010028400000000 ] - [ -0.0030787000000000, 0.0053759100000000, 0.0090300200000000 ] - [ -0.0000623300000000, 0.0000469800000000, 0.0000056700000000 ] - [ -0.0001536000000000, 0.0000000000000000, 0.0000235900000000 ] - [ -0.0002027700000000, 0.0000000000000000, 0.0017965000000000 ] - [ -0.0000623300000000, -0.0000469800000000, 0.0000056700000000 ] - [ -0.0001521100000000, -0.0000995100000000, -0.0002098600000000 ] - [ -0.0000430000000000, 0.0000000000000000, 0.0000427100000000 ] - [ -0.0002189600000000, 0.0000000000000000, -0.0003850300000000 ] - [ 0.0000474600000000, 0.0001809300000000, 0.0003169900000000 ] - [ 0.0000426500000000, -0.0000397900000000, 0.0001398400000000 ] - [ 0.0001261400000000, 0.0000000000000000, -0.0002146800000000 ] - [ 0.0002390900000000, 0.0000000000000000, -0.0001684600000000 ] - [ -0.0000982900000000, -0.0000309900000000, -0.0004961800000000 ] - [ -0.0001137500000000, 0.0000000000000000, 0.0001327600000000 ] - [ -0.0000883900000000, 0.0000429700000000, 0.0001725900000000 ] - [ -0.0000982900000000, 0.0000309900000000, -0.0004961800000000 ] - [ -0.0001417600000000, 0.0000000000000000, -0.0001317000000000 ] - [ 0.0009231500000000, 0.0001784400000000, 0.0007573200000000 ] - [ 0.0007517700000000, 0.0000000000000000, 0.0001314400000000 ] - [ 0.0001201600000000, 0.0000000000000000, -0.0000458400000000 ] - [ 0.0018384300000000, 0.0000000000000000, 0.0029184600000000 ] - [ 0.0000449500000000, 0.0001517600000000, 0.0007868400000000 ] - [ 0.0009231500000000, -0.0001784400000000, 0.0007573200000000 ] - [ 0.0001530500000000, 0.0000000000000000, 0.0015374700000000 ] - [ 0.0000449500000000, -0.0001517600000000, 0.0007868400000000 ] - [ 0.0012956300000000, 0.0000000000000000, 0.0015668300000000 ] - [ 0.0014444800000000, 0.0000000000000000, -0.0015382600000000 ] - [ -0.0033419900000000, -0.0026883200000000, 0.0047527400000000 ] - [ 0.0021144400000000, -0.0000432600000000, 0.0000494700000000 ] - [ 0.0145789800000000, -0.0100937700000000, -0.0028994900000000 ] - [ -0.0027628000000000, 0.0000000000000000, -0.0033062000000000 ] - [ 0.0139346700000000, 0.0085223600000000, 0.0028836800000000 ] - [ 0.0056083500000000, 0.0000000000000000, -0.0013860200000000 ] - [ 0.0011436200000000, -0.0000324800000000, 0.0001211600000000 ] - [ 0.0030170900000000, 0.0000000000000000, 0.0026397500000000 ] - [ 0.0075399300000000, 0.0000000000000000, 0.0000521500000000 ] - [ 0.0034315800000000, -0.0004087400000000, -0.0014280900000000 ] - [ -0.0001941100000000, 0.0000000000000000, -0.0004593200000000 ] - [ 0.0011436200000000, 0.0000324800000000, 0.0001211600000000 ] - [ 0.0003799100000000, 0.0000000000000000, -0.0009766000000000 ] - [ 0.0034315800000000, 0.0004087400000000, -0.0014280900000000 ] - [ 0.0000063100000000, 0.0000423300000000, -0.0001089200000000 ] - [ 0.0005721700000000, 0.0000000000000000, -0.0003119400000000 ] - [ 0.0015375400000000, 0.0000000000000000, -0.0016275900000000 ] - [ 0.0000063100000000, -0.0000423300000000, -0.0001089200000000 ] - [ 0.0000474600000000, -0.0001809300000000, 0.0003169900000000 ] - [ -0.0000612400000000, 0.0000000000000000, 0.0000992600000000 ] - [ -0.0001447800000000, 0.0000000000000000, -0.0002776800000000 ] - [ -0.0001521100000000, 0.0000995100000000, -0.0002098600000000 ] - [ -0.0000883900000000, -0.0000429700000000, 0.0001725900000000 ] - [ 0.0001396500000000, 0.0000000000000000, -0.0002589200000000 ] - [ 0.0001117500000000, 0.0000000000000000, -0.0002569500000000 ] - [ -0.0000796300000000, -0.0000299200000000, -0.0005039700000000 ] - [ 0.0003195800000000, 0.0000000000000000, 0.0001926800000000 ] - [ 0.0000426500000000, 0.0000397900000000, 0.0001398400000000 ] - [ -0.0000796300000000, 0.0000299200000000, -0.0005039700000000 ] - [ -0.0002408900000000, 0.0000000000000000, -0.0002420800000000 ] - [ -0.0013692100000000, 0.0006352000000000, -0.0005022300000000 ] - [ 0.0000734400000000, 0.0000000000000000, 0.0000522700000000 ] - [ 0.0000241400000000, 0.0000000000000000, -0.0002111700000000 ] - [ -0.0016384400000000, 0.0000000000000000, -0.0020817100000000 ] - [ -0.0000420100000000, 0.0002247400000000, 0.0001980200000000 ] - [ -0.0013692100000000, -0.0006352000000000, -0.0005022300000000 ] - [ 0.0002991700000000, 0.0000000000000000, -0.0000598600000000 ] - [ -0.0000420100000000, -0.0002247400000000, 0.0001980200000000 ] - [ 0.0028313100000000, 0.0000000000000000, -0.0085986000000000 ] - [ 0.0002680600000000, 0.0000000000000000, 0.0016115300000000 ] - [ 0.0021144400000000, 0.0000432600000000, 0.0000494700000000 ] - [ -0.0033419900000000, 0.0026883200000000, 0.0047527400000000 ]- atom: 63 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0060137500000000, 0.0000000000000000, -0.0031674800000000 ] - [ -0.0200948400000000, 0.0000000000000000, 0.0024137700000000 ] - [ 0.0093321700000000, 0.0006893600000000, 0.0023801500000000 ] - [ 0.0011612600000000, 0.0000000000000000, 0.0017007600000000 ] - [ -0.0243041800000000, -0.0011835700000000, -0.0000050000000000 ] - [ -0.0010190300000000, 0.0001289700000000, 0.0006574100000000 ] - [ -0.0077824500000000, 0.0000000000000000, 0.0001313700000000 ] - [ -0.0010190300000000, -0.0001289700000000, 0.0006574100000000 ] - [ 0.0008292200000000, 0.0000000000000000, 0.0028684500000000 ] - [ 0.0000330600000000, 0.0000000000000000, -0.0002254700000000 ] - [ 0.0000951300000000, -0.0000764000000000, -0.0004063600000000 ] - [ -0.0001597900000000, 0.0000000000000000, -0.0000116100000000 ] - [ 0.0006399100000000, 0.0000000000000000, 0.0000344800000000 ] - [ -0.0000058300000000, 0.0000000000000000, -0.0003182700000000 ] - [ 0.0000951300000000, 0.0000764000000000, -0.0004063600000000 ] - [ 0.0004198600000000, 0.0000000000000000, -0.0001902000000000 ] - [ 0.0002366700000000, 0.0000340700000000, 0.0000971100000000 ] - [ 0.0030054300000000, 0.0000000000000000, 0.0005523600000000 ] - [ 0.0015639100000000, 0.0022647100000000, -0.0023617900000000 ] - [ 0.0006208600000000, 0.0000000000000000, 0.0011733800000000 ] - [ 0.0002366700000000, -0.0000340700000000, 0.0000971100000000 ] - [ 0.0007550800000000, -0.0003624900000000, 0.0029420500000000 ] - [ 0.0004468600000000, 0.0000000000000000, -0.0003479000000000 ] - [ 0.0046018400000000, 0.0000000000000000, 0.0001208000000000 ] - [ 0.0115071000000000, 0.0000000000000000, 0.0038823900000000 ] - [ 0.0057709900000000, 0.0000000000000000, -0.0065111800000000 ] - [ -0.0243041800000000, 0.0011835700000000, -0.0000050000000000 ] - [ -0.0013420900000000, 0.0000000000000000, -0.0025998700000000 ] - [ 0.0093321700000000, -0.0006893600000000, 0.0023801500000000 ] - [ 0.0007862400000000, -0.0003366000000000, -0.0005309900000000 ] - [ 0.0029600000000000, 0.0000000000000000, -0.0002109600000000 ] - [ 0.0007862400000000, 0.0003366000000000, -0.0005309900000000 ] - [ 0.0057115100000000, 0.0000000000000000, -0.0026911100000000 ] - [ -0.0000847100000000, 0.0000000000000000, 0.0001966400000000 ] - [ 0.0000987900000000, -0.0000674100000000, -0.0003128100000000 ] - [ 0.0002335800000000, 0.0000000000000000, -0.0003619000000000 ] - [ 0.0000359600000000, 0.0000000000000000, -0.0002264100000000 ] - [ 0.0000672500000000, 0.0000000000000000, -0.0003169400000000 ] - [ 0.0000987900000000, 0.0000674100000000, -0.0003128100000000 ] - [ 0.0002877400000000, 0.0000000000000000, -0.0001258200000000 ] - [ -0.0000915000000000, 0.0000252100000000, -0.0000851300000000 ] - [ -0.0046355300000000, 0.0000000000000000, 0.0009767000000000 ] - [ 0.0007550800000000, 0.0003624900000000, 0.0029420500000000 ] - [ 0.0000848400000000, 0.0000000000000000, -0.0000526300000000 ] - [ -0.0000915000000000, -0.0000252100000000, -0.0000851300000000 ] - [ 0.0015639100000000, -0.0022647100000000, -0.0023617900000000 ] - [ -0.0001776500000000, 0.0000000000000000, 0.0011170500000000 ] - [ -0.0221620900000000, 0.0000000000000000, 0.0007368000000000 ] - [ -0.0001831900000000, 0.0000000000000000, -0.0001605500000000 ] - [ 0.0000627500000000, 0.0000000000000000, -0.0000138700000000 ] - [ 0.0009632700000000, 0.0000000000000000, 0.0005090200000000 ] - [ -0.0000263000000000, 0.0000000000000000, -0.0002207700000000 ] - [ 0.0000137800000000, 0.0000000000000000, -0.0002509500000000 ] - [ -0.0000097100000000, 0.0000000000000000, 0.0000616100000000 ] - [ -0.0012010800000000, 0.0000000000000000, 0.0005083300000000 ] - [ 0.0000046800000000, 0.0000000000000000, -0.0002855200000000 ] - [ -0.0137585500000000, 0.0084420800000000, -0.0026438500000000 ] - [ -0.0032574500000000, 0.0000000000000000, -0.0031510200000000 ] - [ -0.0147834000000000, -0.0103353500000000, 0.0031433000000000 ] - [ 0.0087398000000000, 0.0000000000000000, -0.0017617500000000 ] - [ 0.0019994200000000, -0.0004218400000000, 0.0002160800000000 ] - [ -0.0058396900000000, 0.0000000000000000, 0.0170304200000000 ] - [ 0.1256472100000000, 0.0000000000000000, -0.0012637800000000 ] - [ 0.0028417800000000, 0.0054111500000000, -0.0093827300000000 ] - [ -0.0001531800000000, 0.0000000000000000, -0.0004980200000000 ] - [ 0.0019994200000000, 0.0004218400000000, 0.0002160800000000 ] - [ 0.0001766600000000, 0.0000000000000000, -0.0014664500000000 ] - [ 0.0028417800000000, -0.0054111500000000, -0.0093827300000000 ] - [ 0.0000133900000000, 0.0000372900000000, -0.0001218900000000 ] - [ 0.0005490000000000, 0.0000000000000000, -0.0001915800000000 ] - [ 0.0007778200000000, 0.0000000000000000, -0.0015877000000000 ] - [ 0.0000133900000000, -0.0000372900000000, -0.0001218900000000 ] - [ 0.0000486200000000, -0.0001989000000000, 0.0002538800000000 ] - [ -0.0000603300000000, 0.0000000000000000, 0.0000840200000000 ] - [ -0.0001449000000000, 0.0000000000000000, -0.0003011900000000 ] - [ -0.0001544400000000, 0.0001166800000000, -0.0002754600000000 ] - [ -0.0000848800000000, -0.0000481700000000, 0.0001611800000000 ] - [ 0.0001385500000000, 0.0000000000000000, -0.0002702600000000 ] - [ 0.0001018100000000, 0.0000000000000000, -0.0002712100000000 ] - [ -0.0000796000000000, -0.0000311300000000, -0.0005195900000000 ] - [ 0.0003309800000000, 0.0000000000000000, 0.0001796900000000 ] - [ 0.0000454900000000, 0.0000452800000000, 0.0001291600000000 ] - [ -0.0000796000000000, 0.0000311300000000, -0.0005195900000000 ] - [ -0.0002446000000000, 0.0000000000000000, -0.0002652000000000 ] - [ -0.0008771400000000, 0.0001464800000000, -0.0003600400000000 ] - [ 0.0000635200000000, 0.0000000000000000, 0.0001585600000000 ] - [ 0.0000084000000000, 0.0000000000000000, -0.0002235700000000 ] - [ -0.0019177900000000, 0.0000000000000000, -0.0021909300000000 ] - [ -0.0000548400000000, 0.0002204000000000, 0.0001262200000000 ] - [ -0.0008771400000000, -0.0001464800000000, -0.0003600400000000 ] - [ -0.0000091400000000, 0.0000000000000000, -0.0004234500000000 ] - [ -0.0000548400000000, -0.0002204000000000, 0.0001262200000000 ] - [ -0.0011645500000000, 0.0000000000000000, -0.0009041300000000 ] - [ -0.0010413400000000, 0.0000000000000000, 0.0016100200000000 ] - [ 0.0032331200000000, 0.0029225700000000, -0.0037491500000000 ] - [ -0.0022530600000000, -0.0002077700000000, 0.0009033900000000 ] - [ -0.0147834000000000, 0.0103353500000000, 0.0031433000000000 ] - [ 0.0025843400000000, 0.0000000000000000, 0.0027923500000000 ] - [ -0.0137585500000000, -0.0084420800000000, -0.0026438500000000 ] - [ -0.0062903500000000, 0.0000000000000000, 0.0003657300000000 ] - [ -0.0014061400000000, -0.0001956100000000, -0.0007833100000000 ] - [ -0.0034182600000000, 0.0000000000000000, -0.0025906500000000 ] - [ -0.0079752100000000, 0.0000000000000000, -0.0001823700000000 ] - [ -0.0035983900000000, 0.0004215100000000, 0.0011148600000000 ] - [ -0.0007076000000000, 0.0000000000000000, -0.0002818500000000 ] - [ -0.0014061400000000, 0.0001956100000000, -0.0007833100000000 ] - [ -0.0005390300000000, 0.0000000000000000, 0.0005236000000000 ] - [ -0.0035983900000000, -0.0004215100000000, 0.0011148600000000 ] - [ -0.0000552600000000, 0.0000420100000000, -0.0000063300000000 ] - [ -0.0001780800000000, 0.0000000000000000, 0.0001484600000000 ] - [ -0.0009591700000000, 0.0000000000000000, 0.0018495400000000 ] - [ -0.0000552600000000, -0.0000420100000000, -0.0000063300000000 ] - [ -0.0001544400000000, -0.0001166800000000, -0.0002754600000000 ] - [ -0.0000427500000000, 0.0000000000000000, 0.0000275800000000 ] - [ -0.0002198800000000, 0.0000000000000000, -0.0004087700000000 ] - [ 0.0000486200000000, 0.0001989000000000, 0.0002538800000000 ] - [ 0.0000454900000000, -0.0000452800000000, 0.0001291600000000 ] - [ 0.0001253100000000, 0.0000000000000000, -0.0002258500000000 ] - [ 0.0002302000000000, 0.0000000000000000, -0.0001820300000000 ] - [ -0.0000986400000000, -0.0000323300000000, -0.0005119800000000 ] - [ -0.0001005700000000, 0.0000000000000000, 0.0001182400000000 ] - [ -0.0000848800000000, 0.0000481700000000, 0.0001611800000000 ] - [ -0.0000986400000000, 0.0000323300000000, -0.0005119800000000 ] - [ -0.0001458400000000, 0.0000000000000000, -0.0001553000000000 ] - [ 0.0013996300000000, -0.0003091700000000, 0.0009050400000000 ] - [ 0.0007386700000000, 0.0000000000000000, 0.0002406000000000 ] - [ 0.0001032700000000, 0.0000000000000000, -0.0000589800000000 ] - [ 0.0015294100000000, 0.0000000000000000, 0.0028154600000000 ] - [ 0.0000289500000000, 0.0001482100000000, 0.0007121600000000 ] - [ 0.0013996300000000, 0.0003091700000000, 0.0009050400000000 ] - [ -0.0001698600000000, 0.0000000000000000, 0.0011618100000000 ] - [ 0.0000289500000000, -0.0001482100000000, 0.0007121600000000 ] - [ -0.0027109600000000, 0.0000000000000000, 0.0091994700000000 ] - [ 0.0001441300000000, 0.0000000000000000, -0.0015152100000000 ] - [ -0.0022530600000000, 0.0002077700000000, 0.0009033900000000 ] - [ 0.0032331200000000, -0.0029225700000000, -0.0037491500000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000782100000000, -0.0098464200000000, 0.0003035100000000 ] - [ -0.0001165000000000, 0.0186793700000000, -0.0003850300000000 ] - [ 0.0019890500000000, 0.0003427000000000, 0.0013807900000000 ] - [ -0.0001155300000000, 0.0003500500000000, -0.0003567100000000 ] - [ 0.0031620900000000, 0.0160329600000000, -0.0022554300000000 ] - [ 0.0002587600000000, 0.0000068800000000, 0.0003336900000000 ] - [ -0.0000889400000000, 0.0045806200000000, 0.0000843700000000 ] - [ -0.0002958300000000, -0.0000039300000000, -0.0003214500000000 ] - [ -0.0000987100000000, -0.0075736700000000, 0.0000556200000000 ] - [ -0.0000026100000000, 0.0000286600000000, -0.0000239000000000 ] - [ 0.0000964500000000, -0.0000733900000000, -0.0003718100000000 ] - [ 0.0000463100000000, -0.0000224000000000, -0.0002091200000000 ] - [ 0.0003022900000000, -0.0000327900000000, -0.0001134700000000 ] - [ 0.0000282500000000, -0.0000027800000000, -0.0003297200000000 ] - [ 0.0001000300000000, 0.0000744900000000, -0.0003683700000000 ] - [ 0.0003546700000000, 0.0000027000000000, -0.0001651200000000 ] - [ 0.0000727500000000, 0.0000430600000000, 0.0000117300000000 ] - [ -0.0001169500000000, 0.0001192500000000, 0.0002961000000000 ] - [ -0.0002906200000000, 0.0001719200000000, 0.0008203200000000 ] - [ 0.0002076800000000, -0.0000623000000000, 0.0005470000000000 ] - [ 0.0000447300000000, -0.0000412200000000, -0.0000054900000000 ] - [ 0.0021140800000000, -0.0000263300000000, 0.0016556800000000 ] - [ 0.0001973000000000, 0.0000427600000000, 0.0003776800000000 ] - [ 0.0000348900000000, -0.0006346300000000, -0.0001230100000000 ] - [ 0.0001481800000000, 0.0055643500000000, 0.0002982100000000 ] - [ -0.0000532500000000, -0.0046623000000000, -0.0003893200000000 ] - [ -0.0038877800000000, 0.0175260600000000, 0.0032629000000000 ] - [ -0.0001147800000000, -0.0006737500000000, -0.0003628100000000 ] - [ -0.0018196300000000, 0.0002596700000000, -0.0014532100000000 ] - [ -0.0000110800000000, 0.0000045400000000, -0.0000141200000000 ] - [ -0.0000983900000000, -0.0002719500000000, 0.0000816500000000 ] - [ -0.0000277800000000, -0.0000076800000000, 0.0000277000000000 ] - [ -0.0001109900000000, 0.0002969700000000, 0.0000586300000000 ] - [ -0.0000026000000000, 0.0000343600000000, -0.0000241500000000 ] - [ 0.0000964300000000, -0.0000734000000000, -0.0003732600000000 ] - [ 0.0000469300000000, -0.0000219200000000, -0.0002096000000000 ] - [ 0.0003026400000000, -0.0000616400000000, -0.0001133900000000 ] - [ 0.0000283500000000, -0.0000023800000000, -0.0003297600000000 ] - [ 0.0000999800000000, 0.0000745800000000, -0.0003670500000000 ] - [ 0.0003547400000000, 0.0000025200000000, -0.0001650800000000 ] - [ 0.0000716200000000, 0.0000431200000000, 0.0000181800000000 ] - [ -0.0001202200000000, -0.0041648100000000, 0.0003038300000000 ] - [ -0.0023326000000000, 0.0002101900000000, -0.0007014700000000 ] - [ 0.0002076700000000, -0.0002433400000000, 0.0005454200000000 ] - [ 0.0000449400000000, -0.0000412400000000, -0.0000124300000000 ] - [ 0.0000803800000000, -0.0000918400000000, 0.0001266200000000 ] - [ 0.0001965000000000, 0.0000851400000000, 0.0003800700000000 ] - [ -0.0000044600000000, 0.0183994000000000, 0.0002143800000000 ] - [ -0.0000840500000000, -0.0000055800000000, -0.0002122900000000 ] - [ 0.0000289200000000, -0.0000009900000000, 0.0000163700000000 ] - [ 0.0001326100000000, -0.0000187900000000, 0.0005125100000000 ] - [ -0.0000108400000000, 0.0000035900000000, -0.0002611700000000 ] - [ -0.0000840800000000, -0.0000047500000000, -0.0002129200000000 ] - [ 0.0000288300000000, -0.0000011200000000, 0.0000163500000000 ] - [ 0.0001290100000000, 0.0005246700000000, 0.0005111300000000 ] - [ -0.0000107600000000, 0.0000029200000000, -0.0002611900000000 ] - [ -0.0092965500000000, 0.0037164700000000, -0.0015427800000000 ] - [ -0.0001031200000000, -0.0014908300000000, -0.0002611000000000 ] - [ 0.0091214900000000, 0.0037347500000000, -0.0012521400000000 ] - [ -0.0003400600000000, 0.0396246300000000, -0.0004909800000000 ] - [ 0.0005322200000000, 0.0000523200000000, -0.0010782300000000 ] - [ -0.0001654100000000, -0.0041291000000000, -0.0000234000000000 ] - [ 0.0007823400000000, -0.1249921200000000, -0.0015997500000000 ] - [ -0.0055275400000000, 0.0067606600000000, -0.0146555600000000 ] - [ -0.0004503900000000, -0.0000699200000000, -0.0003723700000000 ] - [ -0.0007953000000000, 0.0002763600000000, 0.0004090800000000 ] - [ -0.0000818400000000, -0.0010349800000000, -0.0002253900000000 ] - [ 0.0053997300000000, 0.0067152900000000, 0.0144588300000000 ] - [ -0.0000219000000000, 0.0000413000000000, -0.0000640900000000 ] - [ 0.0001974000000000, 0.0000349000000000, -0.0000836700000000 ] - [ 0.0002885800000000, 0.0012940500000000, 0.0001095800000000 ] - [ -0.0000264600000000, -0.0000434700000000, -0.0000519300000000 ] - [ -0.0000250800000000, -0.0001572600000000, -0.0000112100000000 ] - [ -0.0000516300000000, -0.0000005600000000, 0.0000630100000000 ] - [ -0.0001824800000000, -0.0000036800000000, -0.0003432900000000 ] - [ -0.0000262500000000, 0.0001597300000000, 0.0000798200000000 ] - [ -0.0000173700000000, -0.0000421000000000, 0.0001476300000000 ] - [ 0.0001327300000000, 0.0000006200000000, -0.0002425700000000 ] - [ 0.0001707900000000, 0.0000063200000000, -0.0002194400000000 ] - [ -0.0000888300000000, -0.0000307500000000, -0.0005095200000000 ] - [ 0.0001095000000000, -0.0000137500000000, 0.0001553700000000 ] - [ -0.0000225800000000, 0.0000443400000000, 0.0001549800000000 ] - [ -0.0000894600000000, 0.0000308000000000, -0.0005065000000000 ] - [ -0.0001942100000000, -0.0000041200000000, -0.0001982700000000 ] - [ -0.0000324800000000, 0.0001560900000000, 0.0002169900000000 ] - [ 0.0004063900000000, 0.0000006600000000, 0.0001460400000000 ] - [ 0.0000639200000000, 0.0000105800000000, -0.0001349800000000 ] - [ -0.0000457300000000, -0.0009572800000000, 0.0003687900000000 ] - [ -0.0000293500000000, 0.0001972400000000, 0.0003930900000000 ] - [ 0.0000710900000000, -0.0001699800000000, 0.0001844700000000 ] - [ 0.0000661100000000, -0.0008996500000000, 0.0005513000000000 ] - [ 0.0000176600000000, -0.0001754900000000, 0.0005168800000000 ] - [ 0.0000562100000000, 0.0007753900000000, 0.0003365600000000 ] - [ 0.0001969900000000, -0.0000172500000000, 0.0000448900000000 ] - [ -0.0028923600000000, 0.0025962500000000, -0.0066544800000000 ] - [ 0.0000203800000000, -0.0001723600000000, 0.0002404700000000 ] - [ -0.0092155500000000, 0.0037990200000000, 0.0014666400000000 ] - [ -0.0001104100000000, 0.0021096600000000, -0.0002460700000000 ] - [ 0.0093515500000000, 0.0036157900000000, 0.0017663200000000 ] - [ -0.0003449500000000, -0.0015519000000000, -0.0005104400000000 ] - [ -0.0001700100000000, -0.0001260600000000, -0.0002785400000000 ] - [ -0.0001952400000000, 0.0014890100000000, 0.0000094600000000 ] - [ -0.0002223200000000, 0.0018399400000000, -0.0000648000000000 ] - [ -0.0005510600000000, 0.0000822700000000, 0.0005126300000000 ] - [ -0.0004502200000000, 0.0000116300000000, -0.0003723900000000 ] - [ -0.0000902900000000, 0.0001012300000000, -0.0003896700000000 ] - [ -0.0000833200000000, 0.0000943600000000, -0.0002266500000000 ] - [ 0.0003801100000000, 0.0000686900000000, -0.0008365400000000 ] - [ -0.0000210500000000, 0.0000412100000000, -0.0000635900000000 ] - [ 0.0001980000000000, -0.0000069100000000, -0.0000839000000000 ] - [ 0.0002909000000000, -0.0000382900000000, 0.0001057800000000 ] - [ -0.0000274000000000, -0.0000435500000000, -0.0000525100000000 ] - [ -0.0000789500000000, -0.0001382200000000, -0.0000370500000000 ] - [ -0.0000518600000000, -0.0000008700000000, 0.0000631500000000 ] - [ -0.0001824000000000, -0.0000062700000000, -0.0003431700000000 ] - [ -0.0000802800000000, 0.0001406500000000, 0.0000534200000000 ] - [ -0.0000189800000000, -0.0000426300000000, 0.0001471500000000 ] - [ 0.0001327700000000, 0.0000006700000000, -0.0002425000000000 ] - [ 0.0001706900000000, 0.0000031000000000, -0.0002192000000000 ] - [ -0.0000888600000000, -0.0000308500000000, -0.0005095800000000 ] - [ 0.0001089700000000, 0.0000000600000000, 0.0001552100000000 ] - [ -0.0000241900000000, 0.0000445700000000, 0.0001546200000000 ] - [ -0.0000892800000000, 0.0000308400000000, -0.0005065600000000 ] - [ -0.0001937100000000, -0.0000026400000000, -0.0001982900000000 ] - [ 0.0005595000000000, 0.0002277400000000, -0.0001322900000000 ] - [ 0.0004075400000000, 0.0000185400000000, 0.0001462100000000 ] - [ 0.0000641100000000, 0.0000062600000000, -0.0001348300000000 ] - [ -0.0000379100000000, 0.0011821100000000, 0.0003625700000000 ] - [ 0.0000218500000000, 0.0001877600000000, 0.0004099200000000 ] - [ -0.0005157000000000, -0.0000927100000000, 0.0005375500000000 ] - [ 0.0000666500000000, 0.0001103400000000, 0.0005521700000000 ] - [ -0.0000334700000000, -0.0001845800000000, 0.0005018100000000 ] - [ 0.0000384900000000, -0.0033949800000000, 0.0003707000000000 ] - [ 0.0002023700000000, 0.0013537700000000, 0.0000386500000000 ] - [ -0.0001645100000000, 0.0000798400000000, 0.0007212400000000 ] - [ 0.0027350000000000, 0.0023571500000000, 0.0075686900000000 ]- atom: 63 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0035552700000000, 0.0000000000000000, 0.0118055900000000 ] - [ 0.0037148100000000, 0.0000000000000000, 0.0296464800000000 ] - [ -0.0015424800000000, -0.0000774100000000, 0.0058427800000000 ] - [ -0.0028350100000000, 0.0000000000000000, -0.0004170500000000 ] - [ 0.0022981800000000, -0.0026647300000000, 0.0311580000000000 ] - [ -0.0001935200000000, -0.0005438400000000, -0.0043029100000000 ] - [ 0.0009173800000000, 0.0000000000000000, -0.0080806300000000 ] - [ -0.0001935200000000, 0.0005438400000000, -0.0043029100000000 ] - [ -0.0077837400000000, 0.0000000000000000, 0.0000571900000000 ] - [ 0.0000886400000000, 0.0000000000000000, -0.0029394000000000 ] - [ 0.0000681600000000, -0.0002055300000000, -0.0029848900000000 ] - [ 0.0002263400000000, 0.0000000000000000, -0.0029730300000000 ] - [ -0.0002252900000000, 0.0000000000000000, -0.0026790500000000 ] - [ 0.0000435200000000, 0.0000000000000000, -0.0037557800000000 ] - [ 0.0000681600000000, 0.0002055300000000, -0.0029848900000000 ] - [ 0.0004676600000000, 0.0000000000000000, -0.0027353900000000 ] - [ -0.0003106000000000, -0.0001947200000000, -0.0024688300000000 ] - [ -0.0002684500000000, 0.0000000000000000, 0.0015462100000000 ] - [ 0.0039652900000000, 0.0038682600000000, -0.0003619500000000 ] - [ -0.0010617400000000, 0.0000000000000000, -0.0020037600000000 ] - [ -0.0003106000000000, 0.0001947200000000, -0.0024688300000000 ] - [ -0.0071556100000000, -0.0005046300000000, -0.0006852400000000 ] - [ 0.0004784500000000, 0.0000000000000000, -0.0020895800000000 ] - [ -0.0010111800000000, 0.0000000000000000, 0.0059485100000000 ] - [ -0.0041545400000000, 0.0000000000000000, 0.0081223500000000 ] - [ 0.0003177100000000, 0.0000000000000000, 0.0071057300000000 ] - [ 0.0022981800000000, 0.0026647300000000, 0.0311580000000000 ] - [ 0.0029293600000000, 0.0000000000000000, -0.0007673800000000 ] - [ -0.0015424800000000, 0.0000774100000000, 0.0058427800000000 ] - [ 0.0002530300000000, -0.0003915200000000, -0.0020049600000000 ] - [ -0.0009061100000000, 0.0000000000000000, 0.0009994200000000 ] - [ 0.0002530300000000, 0.0003915200000000, -0.0020049600000000 ] - [ 0.0071070000000000, 0.0000000000000000, 0.0016998500000000 ] - [ -0.0002964600000000, 0.0000000000000000, -0.0034133400000000 ] - [ -0.0000624500000000, -0.0002244200000000, -0.0030804700000000 ] - [ 0.0004413400000000, 0.0000000000000000, -0.0026744200000000 ] - [ 0.0009552200000000, 0.0000000000000000, -0.0029884400000000 ] - [ 0.0000120900000000, 0.0000000000000000, -0.0036586200000000 ] - [ -0.0000624500000000, 0.0002244200000000, -0.0030804700000000 ] - [ 0.0005835600000000, 0.0000000000000000, -0.0028697800000000 ] - [ 0.0001409000000000, -0.0002113800000000, -0.0027491100000000 ] - [ 0.0054349700000000, 0.0000000000000000, -0.0031390900000000 ] - [ -0.0071556100000000, 0.0005046300000000, -0.0006852400000000 ] - [ 0.0014404900000000, 0.0000000000000000, -0.0026851300000000 ] - [ 0.0001409000000000, 0.0002113800000000, -0.0027491100000000 ] - [ 0.0039652900000000, -0.0038682600000000, -0.0003619500000000 ] - [ -0.0000664500000000, 0.0000000000000000, -0.0033927800000000 ] - [ 0.0029677700000000, 0.0000000000000000, 0.1033852700000000 ] - [ 0.0000631500000000, 0.0000000000000000, -0.0023411800000000 ] - [ 0.0000654100000000, 0.0000000000000000, -0.0020014700000000 ] - [ -0.0000599000000000, 0.0000000000000000, -0.0003210500000000 ] - [ -0.0000136900000000, 0.0000000000000000, -0.0024050800000000 ] - [ -0.0000915100000000, 0.0000000000000000, -0.0019676600000000 ] - [ -0.0000050000000000, 0.0000000000000000, -0.0020883900000000 ] - [ 0.0003863000000000, 0.0000000000000000, -0.0032016400000000 ] - [ -0.0000049900000000, 0.0000000000000000, -0.0023780100000000 ] - [ 0.0003952200000000, -0.0019227400000000, -0.0070604700000000 ] - [ 0.0029822800000000, 0.0000000000000000, -0.0033230500000000 ] - [ 0.0020879600000000, 0.0031705100000000, -0.0079668100000000 ] - [ 0.0003534600000000, 0.0000000000000000, -0.0118032700000000 ] - [ -0.0011474700000000, -0.0009030200000000, 0.0021888300000000 ] - [ -0.0195227800000000, 0.0000000000000000, 0.0139249600000000 ] - [ -0.0190513200000000, 0.0000000000000000, -0.2446720300000000 ] - [ 0.0106199500000000, -0.0187325000000000, 0.0188382600000000 ] - [ -0.0006346900000000, 0.0000000000000000, 0.0018428000000000 ] - [ -0.0011474700000000, 0.0009030200000000, 0.0021888300000000 ] - [ 0.0013338000000000, 0.0000000000000000, 0.0024544900000000 ] - [ 0.0106199500000000, 0.0187325000000000, 0.0188382600000000 ] - [ -0.0000086800000000, 0.0000635600000000, 0.0019127300000000 ] - [ -0.0000693700000000, 0.0000000000000000, 0.0023505200000000 ] - [ 0.0009229400000000, 0.0000000000000000, 0.0043423600000000 ] - [ -0.0000086800000000, -0.0000635600000000, 0.0019127300000000 ] - [ -0.0001405800000000, 0.0000159500000000, 0.0016056500000000 ] - [ -0.0000645600000000, 0.0000000000000000, 0.0019147400000000 ] - [ -0.0002972600000000, 0.0000000000000000, 0.0014531000000000 ] - [ 0.0006247900000000, 0.0001242800000000, 0.0020877300000000 ] - [ -0.0000453400000000, -0.0000494700000000, 0.0020060800000000 ] - [ 0.0001381000000000, 0.0000000000000000, 0.0017296300000000 ] - [ 0.0003011100000000, 0.0000000000000000, 0.0020640200000000 ] - [ -0.0000987600000000, -0.0000531900000000, 0.0014202500000000 ] - [ 0.0000518000000000, 0.0000000000000000, 0.0022752400000000 ] - [ -0.0000077500000000, 0.0000480600000000, 0.0021740200000000 ] - [ -0.0000987600000000, 0.0000531900000000, 0.0014202500000000 ] - [ -0.0001096200000000, 0.0000000000000000, 0.0017242100000000 ] - [ 0.0009069800000000, 0.0002420200000000, 0.0005331600000000 ] - [ 0.0003204900000000, 0.0000000000000000, 0.0017223300000000 ] - [ 0.0001633000000000, 0.0000000000000000, 0.0017844800000000 ] - [ 0.0025755800000000, 0.0000000000000000, -0.0021599200000000 ] - [ 0.0004002000000000, -0.0000061900000000, 0.0025037300000000 ] - [ 0.0009069800000000, -0.0002420200000000, 0.0005331600000000 ] - [ 0.0020431900000000, 0.0000000000000000, 0.0031028800000000 ] - [ 0.0004002000000000, 0.0000061900000000, 0.0025037300000000 ] - [ 0.0031400900000000, 0.0000000000000000, -0.0017453600000000 ] - [ -0.0017399000000000, 0.0000000000000000, 0.0019783500000000 ] - [ 0.0043507100000000, -0.0074130700000000, 0.0108081300000000 ] - [ -0.0011104100000000, -0.0009789600000000, -0.0015890300000000 ] - [ 0.0020879600000000, -0.0031705100000000, -0.0079668100000000 ] - [ -0.0030948400000000, 0.0000000000000000, -0.0048792800000000 ] - [ 0.0003952200000000, 0.0019227400000000, -0.0070604700000000 ] - [ 0.0013752500000000, 0.0000000000000000, -0.0042736100000000 ] - [ 0.0004585100000000, 0.0001153700000000, -0.0002697700000000 ] - [ 0.0030675600000000, 0.0000000000000000, -0.0030578600000000 ] - [ 0.0010074200000000, 0.0000000000000000, -0.0047352100000000 ] - [ -0.0005387100000000, 0.0005444500000000, -0.0032201200000000 ] - [ -0.0005516600000000, 0.0000000000000000, 0.0008178900000000 ] - [ 0.0004585100000000, -0.0001153700000000, -0.0002697700000000 ] - [ -0.0010974900000000, 0.0000000000000000, 0.0000501800000000 ] - [ -0.0005387100000000, -0.0005444500000000, -0.0032201200000000 ] - [ -0.0000586900000000, 0.0000617000000000, 0.0017000900000000 ] - [ 0.0000449700000000, 0.0000000000000000, 0.0014809200000000 ] - [ -0.0012444500000000, 0.0000000000000000, 0.0020728700000000 ] - [ -0.0000586900000000, -0.0000617000000000, 0.0017000900000000 ] - [ 0.0006247900000000, -0.0001242800000000, 0.0020877300000000 ] - [ -0.0000117300000000, 0.0000000000000000, 0.0020032900000000 ] - [ -0.0001117300000000, 0.0000000000000000, 0.0015094300000000 ] - [ -0.0001405800000000, -0.0000159500000000, 0.0016056500000000 ] - [ -0.0000077500000000, -0.0000480600000000, 0.0021740200000000 ] - [ 0.0000856600000000, 0.0000000000000000, 0.0016519100000000 ] - [ 0.0000943900000000, 0.0000000000000000, 0.0020330200000000 ] - [ -0.0000662700000000, -0.0000515600000000, 0.0014292100000000 ] - [ 0.0001672500000000, 0.0000000000000000, 0.0017648900000000 ] - [ -0.0000453400000000, 0.0000494700000000, 0.0020060800000000 ] - [ -0.0000662700000000, 0.0000515600000000, 0.0014292100000000 ] - [ -0.0002623100000000, 0.0000000000000000, 0.0017554300000000 ] - [ -0.0013443100000000, -0.0005472500000000, 0.0027027000000000 ] - [ 0.0001654700000000, 0.0000000000000000, 0.0023612500000000 ] - [ -0.0000302600000000, 0.0000000000000000, 0.0017646800000000 ] - [ -0.0026189900000000, 0.0000000000000000, -0.0029127200000000 ] - [ -0.0002496600000000, 0.0000926700000000, 0.0022277600000000 ] - [ -0.0013443100000000, 0.0005472500000000, 0.0027027000000000 ] - [ -0.0010612800000000, 0.0000000000000000, 0.0009084200000000 ] - [ -0.0002496600000000, -0.0000926700000000, 0.0022277600000000 ] - [ -0.0094857100000000, 0.0000000000000000, 0.0088656300000000 ] - [ 0.0023362500000000, 0.0000000000000000, 0.0047197900000000 ] - [ -0.0011104100000000, 0.0009789600000000, -0.0015890300000000 ] - [ 0.0043507100000000, 0.0074130700000000, 0.0108081300000000 ]- atom: 63 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0032663500000000, 0.0000000000000000, -0.0113373700000000 ] - [ -0.0025141500000000, 0.0000000000000000, -0.0297448000000000 ] - [ 0.0017202800000000, 0.0001616900000000, -0.0058932700000000 ] - [ 0.0025999900000000, 0.0000000000000000, -0.0002819500000000 ] - [ -0.0024958700000000, 0.0019935300000000, -0.0309123700000000 ] - [ 0.0001601000000000, 0.0005493100000000, 0.0043256900000000 ] - [ -0.0010998000000000, 0.0000000000000000, 0.0082609000000000 ] - [ 0.0001601000000000, -0.0005493100000000, 0.0043256900000000 ] - [ 0.0075807300000000, 0.0000000000000000, 0.0001015900000000 ] - [ -0.0000935300000000, 0.0000000000000000, 0.0029056800000000 ] - [ 0.0001286700000000, 0.0000582700000000, 0.0022572800000000 ] - [ -0.0001337600000000, 0.0000000000000000, 0.0025672900000000 ] - [ 0.0008288600000000, 0.0000000000000000, 0.0024651200000000 ] - [ 0.0000127300000000, 0.0000000000000000, 0.0031124200000000 ] - [ 0.0001286700000000, -0.0000582700000000, 0.0022572800000000 ] - [ 0.0002406800000000, 0.0000000000000000, 0.0024176300000000 ] - [ 0.0004304100000000, 0.0002804000000000, 0.0024851700000000 ] - [ 0.0000268700000000, 0.0000000000000000, -0.0009780200000000 ] - [ -0.0042168400000000, -0.0036596100000000, 0.0013088100000000 ] - [ 0.0014872600000000, 0.0000000000000000, 0.0031038800000000 ] - [ 0.0004304100000000, -0.0002804000000000, 0.0024851700000000 ] - [ 0.0070003400000000, 0.0002697500000000, 0.0016338000000000 ] - [ -0.0000872900000000, 0.0000000000000000, 0.0028561800000000 ] - [ 0.0010782400000000, 0.0000000000000000, -0.0062676600000000 ] - [ 0.0044527000000000, 0.0000000000000000, -0.0076277200000000 ] - [ -0.0004643500000000, 0.0000000000000000, -0.0078436600000000 ] - [ -0.0024958700000000, -0.0019935300000000, -0.0309123700000000 ] - [ -0.0031516200000000, 0.0000000000000000, 0.0000751600000000 ] - [ 0.0017202800000000, -0.0001616900000000, -0.0058932700000000 ] - [ -0.0002901500000000, 0.0004000100000000, 0.0020334500000000 ] - [ 0.0007054800000000, 0.0000000000000000, -0.0008176600000000 ] - [ -0.0002901500000000, -0.0004000100000000, 0.0020334500000000 ] - [ -0.0073143400000000, 0.0000000000000000, -0.0015518100000000 ] - [ 0.0002913900000000, 0.0000000000000000, 0.0033781300000000 ] - [ 0.0002591000000000, 0.0000771600000000, 0.0023527600000000 ] - [ -0.0003507200000000, 0.0000000000000000, 0.0022659300000000 ] - [ -0.0003493100000000, 0.0000000000000000, 0.0027743700000000 ] - [ 0.0000447500000000, 0.0000000000000000, 0.0030143200000000 ] - [ 0.0002591000000000, -0.0000771600000000, 0.0023527600000000 ] - [ 0.0001254400000000, 0.0000000000000000, 0.0025518400000000 ] - [ -0.0000252600000000, 0.0002972400000000, 0.0027681300000000 ] - [ -0.0057222300000000, 0.0000000000000000, 0.0037488200000000 ] - [ 0.0070003400000000, -0.0002697500000000, 0.0016338000000000 ] - [ -0.0010372600000000, 0.0000000000000000, 0.0037913900000000 ] - [ -0.0000252600000000, -0.0002972400000000, 0.0027681300000000 ] - [ -0.0042168400000000, 0.0036596100000000, 0.0013088100000000 ] - [ 0.0004630800000000, 0.0000000000000000, 0.0041704400000000 ] - [ -0.0026946200000000, 0.0000000000000000, -0.1113102200000000 ] - [ -0.0002310300000000, 0.0000000000000000, 0.0019255000000000 ] - [ -0.0000080700000000, 0.0000000000000000, 0.0020437600000000 ] - [ 0.0003249700000000, 0.0000000000000000, 0.0013429800000000 ] - [ -0.0000078700000000, 0.0000000000000000, 0.0018927600000000 ] - [ -0.0000769000000000, 0.0000000000000000, 0.0015522400000000 ] - [ 0.0000630100000000, 0.0000000000000000, 0.0021311400000000 ] - [ -0.0001255500000000, 0.0000000000000000, 0.0042496400000000 ] - [ -0.0000169100000000, 0.0000000000000000, 0.0018659400000000 ] - [ -0.0004985500000000, 0.0020442900000000, 0.0072817200000000 ] - [ -0.0031853600000000, 0.0000000000000000, 0.0027861200000000 ] - [ -0.0019992500000000, -0.0032043200000000, 0.0082137000000000 ] - [ -0.0010542200000000, 0.0000000000000000, 0.0108011600000000 ] - [ 0.0008789000000000, 0.0006786000000000, -0.0028675300000000 ] - [ 0.0189225500000000, 0.0000000000000000, -0.0137640500000000 ] - [ 0.0176491000000000, 0.0000000000000000, 0.2505450200000000 ] - [ -0.0106402400000000, 0.0184597500000000, -0.0188647300000000 ] - [ -0.0002668400000000, 0.0000000000000000, -0.0025950300000000 ] - [ 0.0008789000000000, -0.0006786000000000, -0.0028675300000000 ] - [ -0.0014988800000000, 0.0000000000000000, -0.0029188400000000 ] - [ -0.0106402400000000, -0.0184597500000000, -0.0188647300000000 ] - [ -0.0000400100000000, 0.0000208800000000, -0.0020374200000000 ] - [ 0.0004632000000000, 0.0000000000000000, -0.0025253700000000 ] - [ -0.0003417700000000, 0.0000000000000000, -0.0041141700000000 ] - [ -0.0000400100000000, -0.0000208800000000, -0.0020374200000000 ] - [ 0.0000342400000000, -0.0003151600000000, -0.0015716200000000 ] - [ -0.0000387000000000, 0.0000000000000000, -0.0017980400000000 ] - [ -0.0000673700000000, 0.0000000000000000, -0.0021488900000000 ] - [ -0.0007298600000000, 0.0001754900000000, -0.0020520100000000 ] - [ 0.0000037200000000, -0.0000377300000000, -0.0017127800000000 ] - [ 0.0001264800000000, 0.0000000000000000, -0.0022239400000000 ] - [ 0.0000407300000000, 0.0000000000000000, -0.0025131100000000 ] - [ -0.0000792400000000, -0.0000090600000000, -0.0024452900000000 ] - [ 0.0001670100000000, 0.0000000000000000, -0.0019738700000000 ] - [ -0.0000346200000000, 0.0000395500000000, -0.0018822700000000 ] - [ -0.0000792400000000, 0.0000090600000000, -0.0024452900000000 ] - [ -0.0002788000000000, 0.0000000000000000, -0.0021298100000000 ] - [ -0.0008744800000000, 0.0000820900000000, -0.0001238700000000 ] - [ 0.0004938000000000, 0.0000000000000000, -0.0014359500000000 ] - [ -0.0000363100000000, 0.0000000000000000, -0.0020631000000000 ] - [ -0.0026891100000000, 0.0000000000000000, 0.0029398800000000 ] - [ -0.0004153300000000, 0.0003803400000000, -0.0016024300000000 ] - [ -0.0008744800000000, -0.0000820900000000, -0.0001238700000000 ] - [ -0.0019265100000000, 0.0000000000000000, -0.0020106900000000 ] - [ -0.0004153300000000, -0.0003803400000000, -0.0016024300000000 ] - [ -0.0030555500000000, 0.0000000000000000, 0.0024521600000000 ] - [ 0.0021586600000000, 0.0000000000000000, -0.0019041400000000 ] - [ -0.0045520100000000, 0.0077822200000000, -0.0100007400000000 ] - [ 0.0009822100000000, 0.0007398200000000, 0.0025779600000000 ] - [ -0.0019992500000000, 0.0032043200000000, 0.0082137000000000 ] - [ 0.0028912400000000, 0.0000000000000000, 0.0043295900000000 ] - [ -0.0004985500000000, -0.0020442900000000, 0.0072817200000000 ] - [ -0.0020598700000000, 0.0000000000000000, 0.0032634600000000 ] - [ -0.0007196100000000, -0.0003412800000000, -0.0004086600000000 ] - [ -0.0034462600000000, 0.0000000000000000, 0.0030590500000000 ] - [ -0.0014450900000000, 0.0000000000000000, 0.0046250500000000 ] - [ 0.0003733400000000, -0.0005262300000000, 0.0028791900000000 ] - [ -0.0003487100000000, 0.0000000000000000, -0.0015711500000000 ] - [ -0.0007196100000000, 0.0003412800000000, -0.0004086600000000 ] - [ 0.0009340200000000, 0.0000000000000000, -0.0005179800000000 ] - [ 0.0003733400000000, 0.0005262300000000, 0.0028791900000000 ] - [ 0.0000100300000000, 0.0000228000000000, -0.0018251900000000 ] - [ 0.0003509700000000, 0.0000000000000000, -0.0016572300000000 ] - [ 0.0018213400000000, 0.0000000000000000, -0.0018631800000000 ] - [ 0.0000100300000000, -0.0000228000000000, -0.0018251900000000 ] - [ -0.0007298600000000, -0.0001754900000000, -0.0020520100000000 ] - [ -0.0000921700000000, 0.0000000000000000, -0.0018863000000000 ] - [ -0.0002524500000000, 0.0000000000000000, -0.0022048800000000 ] - [ 0.0000342400000000, 0.0003151600000000, -0.0015716200000000 ] - [ -0.0000346200000000, -0.0000395500000000, -0.0018822700000000 ] - [ 0.0001790000000000, 0.0000000000000000, -0.0021458700000000 ] - [ 0.0002468300000000, 0.0000000000000000, -0.0024816800000000 ] - [ -0.0001113900000000, -0.0000108300000000, -0.0024545900000000 ] - [ 0.0000505300000000, 0.0000000000000000, -0.0014587000000000 ] - [ 0.0000037200000000, 0.0000377300000000, -0.0017127800000000 ] - [ -0.0001113900000000, 0.0000108300000000, -0.0024545900000000 ] - [ -0.0001237900000000, 0.0000000000000000, -0.0021617400000000 ] - [ 0.0013969900000000, 0.0008772000000000, -0.0023135700000000 ] - [ 0.0006503000000000, 0.0000000000000000, -0.0020804800000000 ] - [ 0.0001592000000000, 0.0000000000000000, -0.0020433400000000 ] - [ 0.0025540900000000, 0.0000000000000000, 0.0036970500000000 ] - [ 0.0002404400000000, 0.0002804500000000, -0.0013238500000000 ] - [ 0.0013969900000000, -0.0008772000000000, -0.0023135700000000 ] - [ 0.0012050700000000, 0.0000000000000000, 0.0002036500000000 ] - [ 0.0002404400000000, -0.0002804500000000, -0.0013238500000000 ] - [ 0.0097235700000000, 0.0000000000000000, -0.0082939300000000 ] - [ -0.0019525500000000, 0.0000000000000000, -0.0046718500000000 ] - [ 0.0009822100000000, -0.0007398200000000, 0.0025779600000000 ] - [ -0.0045520100000000, -0.0077822200000000, -0.0100007400000000 ]- atom: 64 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0090885900000000, 0.0049237000000000, 0.0038829700000000 ] - [ 0.0260598400000000, 0.0004499100000000, -0.0012953900000000 ] - [ -0.0103756700000000, 0.0004934400000000, 0.0026185700000000 ] - [ -0.0037116400000000, -0.0016386800000000, -0.0072655800000000 ] - [ 0.0214585300000000, -0.0004986900000000, 0.0006832600000000 ] - [ 0.0069272200000000, 0.0000840600000000, -0.0003889800000000 ] - [ 0.0199151100000000, 0.0040036600000000, 0.0052750200000000 ] - [ 0.0048321600000000, -0.0001020300000000, -0.0016576800000000 ] - [ 0.0293909300000000, -0.0107369900000000, 0.0065923300000000 ] - [ -0.0005312600000000, 0.0001571900000000, 0.0003487300000000 ] - [ 0.0000354200000000, -0.0000720000000000, -0.0002723600000000 ] - [ 0.0000929600000000, -0.0000012800000000, -0.0002932400000000 ] - [ -0.0001738800000000, 0.0001119500000000, -0.0009146400000000 ] - [ 0.0000415700000000, 0.0000006300000000, -0.0003979800000000 ] - [ 0.0000516000000000, 0.0000724100000000, -0.0002477600000000 ] - [ 0.0001760900000000, 0.0000148900000000, -0.0002076400000000 ] - [ 0.0000053900000000, 0.0000391500000000, -0.0000213200000000 ] - [ -0.0011464200000000, -0.0002342800000000, 0.0007752300000000 ] - [ 0.0001781900000000, 0.0002920100000000, 0.0011271700000000 ] - [ 0.0000100200000000, -0.0000201200000000, 0.0004177400000000 ] - [ 0.0000034500000000, -0.0000391100000000, -0.0000235900000000 ] - [ -0.0007623800000000, -0.0000664100000000, -0.0002345700000000 ] - [ 0.0001517500000000, 0.0000010200000000, 0.0005376900000000 ] - [ -0.0020201400000000, 0.0004537300000000, 0.0011211100000000 ] - [ -0.0044519000000000, 0.0000988100000000, -0.0012521700000000 ] - [ -0.0082907700000000, 0.0003321000000000, -0.0025344100000000 ] - [ 0.0048914600000000, 0.0016592100000000, -0.0037445300000000 ] - [ -0.0029854600000000, -0.0035135400000000, 0.0048798900000000 ] - [ -0.0052687700000000, -0.0006904200000000, 0.0052526900000000 ] - [ -0.0024754600000000, 0.0000815800000000, 0.0001583800000000 ] - [ -0.0070615200000000, -0.0000907100000000, -0.0025065600000000 ] - [ -0.0028984500000000, -0.0000828600000000, -0.0000003200000000 ] - [ -0.0110913200000000, -0.0009057500000000, 0.0026491500000000 ] - [ 0.0007701000000000, -0.0000740400000000, -0.0005404300000000 ] - [ 0.0001799500000000, -0.0000799300000000, -0.0005424000000000 ] - [ 0.0000097500000000, -0.0000012600000000, -0.0001768300000000 ] - [ 0.0003416800000000, -0.0003398200000000, 0.0010717700000000 ] - [ 0.0000190800000000, 0.0000008300000000, -0.0003273100000000 ] - [ 0.0001798500000000, 0.0000798700000000, -0.0005558500000000 ] - [ 0.0005096500000000, 0.0000013900000000, -0.0001547900000000 ] - [ 0.0001082900000000, 0.0000396300000000, -0.0000195700000000 ] - [ 0.0011846500000000, 0.0001075300000000, -0.0003848300000000 ] - [ -0.0006669300000000, 0.0000658600000000, -0.0001932900000000 ] - [ 0.0003772000000000, -0.0000079600000000, 0.0006365300000000 ] - [ 0.0001057200000000, -0.0000396800000000, -0.0000209900000000 ] - [ 0.0004297200000000, -0.0002847900000000, 0.0017524600000000 ] - [ 0.0002454200000000, -0.0000003500000000, 0.0001389000000000 ] - [ 0.0019906800000000, -0.0008749100000000, -0.0035166300000000 ] - [ 0.0002089700000000, -0.0000030500000000, -0.0000944900000000 ] - [ 0.0000111800000000, -0.0000035100000000, 0.0000208500000000 ] - [ -0.0001132900000000, 0.0000358100000000, 0.0006687000000000 ] - [ 0.0000267300000000, 0.0000033600000000, -0.0002808300000000 ] - [ -0.0003946700000000, -0.0000331600000000, -0.0003040700000000 ] - [ 0.0000466600000000, -0.0000033900000000, -0.0000267600000000 ] - [ 0.0004068500000000, -0.0000105500000000, 0.0003035900000000 ] - [ -0.0000520800000000, 0.0000020800000000, -0.0002810200000000 ] - [ 0.0078966500000000, -0.0028741000000000, -0.0173314800000000 ] - [ 0.0144550000000000, 0.0092689000000000, -0.0017909100000000 ] - [ 0.0037642900000000, -0.0001698000000000, 0.0027534500000000 ] - [ -0.0061542400000000, 0.0047310100000000, 0.0060826500000000 ] - [ 0.0021681300000000, 0.0024306100000000, -0.0167257400000000 ] - [ 0.0235938500000000, -0.0148736200000000, -0.0015821000000000 ] - [ -0.0031450600000000, -0.0054679100000000, 0.0111127800000000 ] - [ -0.1408826300000000, 0.0134325300000000, -0.0056051100000000 ] - [ -0.0021909300000000, -0.0007491100000000, -0.0005954600000000 ] - [ -0.0034169600000000, 0.0000473700000000, -0.0027441600000000 ] - [ -0.0034224300000000, 0.0045474700000000, 0.0077153200000000 ] - [ -0.0105640900000000, -0.0021711800000000, -0.0011744500000000 ] - [ -0.0002523000000000, 0.0000735200000000, 0.0000008400000000 ] - [ -0.0015144600000000, 0.0004400200000000, -0.0004664800000000 ] - [ -0.0038534700000000, -0.0030104100000000, 0.0054391800000000 ] - [ -0.0002163700000000, -0.0000649100000000, 0.0000078300000000 ] - [ 0.0005315900000000, -0.0003264800000000, -0.0007701500000000 ] - [ -0.0000175200000000, -0.0000049600000000, 0.0000366000000000 ] - [ -0.0002058200000000, -0.0000203000000000, -0.0005016200000000 ] - [ -0.0002609500000000, 0.0000695700000000, 0.0008096400000000 ] - [ -0.0000063600000000, -0.0000430900000000, 0.0001478300000000 ] - [ 0.0001041700000000, 0.0000006100000000, -0.0001867300000000 ] - [ 0.0002793100000000, -0.0000218200000000, 0.0000419600000000 ] - [ -0.0001276600000000, -0.0000306600000000, -0.0005280300000000 ] - [ 0.0000550500000000, -0.0000011600000000, 0.0001929500000000 ] - [ -0.0000363200000000, 0.0000437900000000, 0.0001910900000000 ] - [ -0.0001254300000000, 0.0000305300000000, -0.0005264700000000 ] - [ -0.0001838100000000, -0.0000001800000000, -0.0001763900000000 ] - [ 0.0004173500000000, 0.0002004700000000, 0.0001833000000000 ] - [ 0.0004760800000000, 0.0000029600000000, 0.0001430400000000 ] - [ 0.0000749600000000, 0.0000001300000000, -0.0001005100000000 ] - [ 0.0009405900000000, 0.0000366100000000, 0.0010205700000000 ] - [ 0.0000366600000000, 0.0001771400000000, 0.0005495500000000 ] - [ 0.0003371400000000, -0.0001770800000000, 0.0002661200000000 ] - [ 0.0002614600000000, 0.0000388300000000, 0.0009081500000000 ] - [ 0.0000295600000000, -0.0001773500000000, 0.0005537600000000 ] - [ 0.0008566700000000, -0.0000477900000000, 0.0005287300000000 ] - [ 0.0001101800000000, 0.0000456800000000, -0.0002558800000000 ] - [ -0.0000315700000000, -0.0002808200000000, 0.0018996000000000 ] - [ 0.0002739300000000, -0.0002793500000000, -0.0000671600000000 ] - [ 0.0031117900000000, 0.0000897700000000, 0.0030036500000000 ] - [ 0.0114467800000000, 0.0077581300000000, 0.0010081000000000 ] - [ -0.0028711000000000, 0.0005662700000000, -0.0021502900000000 ] - [ 0.0038215200000000, 0.0003718900000000, -0.0022781500000000 ] - [ 0.0025367300000000, 0.0001255600000000, 0.0016610900000000 ] - [ 0.0113964800000000, -0.0066105000000000, -0.0005905400000000 ] - [ 0.0032945600000000, -0.0004649200000000, -0.0010413700000000 ] - [ 0.0078075100000000, -0.0008605900000000, 0.0003101300000000 ] - [ 0.0003749200000000, 0.0000198900000000, -0.0001382100000000 ] - [ 0.0027744000000000, -0.0001292100000000, 0.0016656100000000 ] - [ 0.0031048800000000, 0.0002266900000000, -0.0011697400000000 ] - [ 0.0054991000000000, 0.0005961800000000, 0.0000400000000000 ] - [ 0.0001723200000000, 0.0000209700000000, -0.0001610400000000 ] - [ 0.0011258900000000, -0.0000291500000000, 0.0000696000000000 ] - [ 0.0028537200000000, -0.0000445800000000, -0.0015553100000000 ] - [ 0.0001393200000000, -0.0000353200000000, -0.0000946400000000 ] - [ -0.0001556500000000, -0.0001007500000000, 0.0012335000000000 ] - [ -0.0000945100000000, -0.0000011800000000, 0.0001209800000000 ] - [ -0.0001538000000000, 0.0000221000000000, -0.0000966300000000 ] - [ 0.0002406300000000, 0.0002286900000000, -0.0003897600000000 ] - [ -0.0000356500000000, -0.0000436300000000, 0.0001896000000000 ] - [ 0.0001546900000000, 0.0000023600000000, -0.0002655300000000 ] - [ 0.0000878300000000, 0.0000155500000000, -0.0003877600000000 ] - [ -0.0000451700000000, -0.0000321700000000, -0.0004458000000000 ] - [ 0.0001605400000000, -0.0000015900000000, 0.0001488900000000 ] - [ -0.0000067100000000, 0.0000435100000000, 0.0001482700000000 ] - [ -0.0000510200000000, 0.0000313300000000, -0.0004439600000000 ] - [ -0.0002030800000000, -0.0000001200000000, -0.0001812200000000 ] - [ -0.0003774200000000, 0.0001102900000000, 0.0001092600000000 ] - [ 0.0003283400000000, 0.0000024900000000, 0.0001815200000000 ] - [ 0.0000542700000000, 0.0000003800000000, -0.0001307900000000 ] - [ -0.0016360600000000, -0.0005995500000000, -0.0007427000000000 ] - [ -0.0000369700000000, 0.0001913800000000, 0.0003980300000000 ] - [ -0.0003231000000000, -0.0001149800000000, 0.0001578900000000 ] - [ -0.0000782000000000, -0.0000369900000000, 0.0002658600000000 ] - [ -0.0000365700000000, -0.0001904700000000, 0.0004026500000000 ] - [ -0.0011607700000000, 0.0003573400000000, 0.0002369900000000 ] - [ 0.0003098200000000, -0.0000419300000000, 0.0004920600000000 ] - [ 0.0006637000000000, 0.0003717800000000, -0.0007215900000000 ] - [ -0.0002385900000000, 0.0002028200000000, 0.0014513500000000 ]- atom: 64 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0087460100000000, -0.0049179800000000, -0.0032917100000000 ] - [ -0.0259271000000000, 0.0000753000000000, 0.0000398600000000 ] - [ 0.0105260100000000, -0.0004145100000000, -0.0026469600000000 ] - [ 0.0035179900000000, 0.0016130900000000, 0.0064868200000000 ] - [ -0.0232418600000000, 0.0002478400000000, -0.0022158800000000 ] - [ -0.0069750900000000, -0.0000767500000000, 0.0004331100000000 ] - [ -0.0203644500000000, -0.0037080700000000, -0.0048527800000000 ] - [ -0.0048960700000000, 0.0000932300000000, 0.0016926100000000 ] - [ -0.0293936900000000, 0.0100842100000000, -0.0061973200000000 ] - [ 0.0005234900000000, -0.0001565000000000, -0.0003989200000000 ] - [ 0.0001598700000000, -0.0000757300000000, -0.0004666000000000 ] - [ -0.0000003800000000, 0.0000014700000000, -0.0001233200000000 ] - [ 0.0007921000000000, -0.0001135800000000, 0.0006908400000000 ] - [ 0.0000152100000000, -0.0000006000000000, -0.0002584900000000 ] - [ 0.0001438000000000, 0.0000755800000000, -0.0004910400000000 ] - [ 0.0005349600000000, -0.0000147000000000, -0.0001215700000000 ] - [ 0.0001112500000000, 0.0000457200000000, 0.0000299000000000 ] - [ 0.0009042100000000, 0.0002339900000000, -0.0001802900000000 ] - [ -0.0003899700000000, -0.0000575900000000, -0.0001766100000000 ] - [ 0.0004021400000000, 0.0000203300000000, 0.0006773800000000 ] - [ 0.0001131800000000, -0.0000455100000000, 0.0000319700000000 ] - [ 0.0005354900000000, -0.0001683800000000, 0.0011871100000000 ] - [ 0.0002428900000000, -0.0000010700000000, 0.0002241600000000 ] - [ 0.0020845200000000, -0.0004521300000000, -0.0013577500000000 ] - [ 0.0047345000000000, -0.0001009000000000, 0.0018645900000000 ] - [ 0.0081736100000000, -0.0003384900000000, 0.0017874100000000 ] - [ -0.0048400400000000, -0.0015953400000000, 0.0037194200000000 ] - [ 0.0027229000000000, 0.0034985000000000, -0.0056445500000000 ] - [ 0.0054379300000000, 0.0006116700000000, -0.0052798400000000 ] - [ 0.0024367200000000, -0.0000743200000000, -0.0001598300000000 ] - [ 0.0068518000000000, 0.0000882600000000, 0.0026301600000000 ] - [ 0.0028570200000000, 0.0000757800000000, -0.0000023600000000 ] - [ 0.0109083100000000, 0.0009210900000000, -0.0025575200000000 ] - [ -0.0007757400000000, 0.0000758400000000, 0.0005008300000000 ] - [ 0.0000171800000000, -0.0000675700000000, -0.0001944400000000 ] - [ 0.0000833800000000, 0.0000012200000000, -0.0002397600000000 ] - [ 0.0002548600000000, 0.0003395200000000, -0.0012976400000000 ] - [ 0.0000370000000000, -0.0000005400000000, -0.0003295600000000 ] - [ 0.0000173000000000, 0.0000679000000000, -0.0001807800000000 ] - [ 0.0001977900000000, -0.0000011100000000, -0.0001721300000000 ] - [ 0.0000088000000000, 0.0000450200000000, 0.0000277000000000 ] - [ -0.0014246900000000, -0.0001062800000000, 0.0009665900000000 ] - [ 0.0004413100000000, 0.0001692000000000, 0.0011464500000000 ] - [ 0.0000379300000000, 0.0000081300000000, 0.0004570200000000 ] - [ 0.0000115600000000, -0.0000448900000000, 0.0000291000000000 ] - [ -0.0006410500000000, 0.0000505800000000, -0.0007997000000000 ] - [ 0.0001480800000000, 0.0000005100000000, 0.0006216700000000 ] - [ -0.0019205300000000, 0.0008706400000000, 0.0032350900000000 ] - [ -0.0003796500000000, -0.0000030500000000, -0.0003255800000000 ] - [ 0.0000465300000000, -0.0000032200000000, 0.0000137400000000 ] - [ 0.0003771000000000, -0.0000419600000000, 0.0003586400000000 ] - [ -0.0000489300000000, 0.0000035700000000, -0.0002393600000000 ] - [ 0.0002288400000000, 0.0000273200000000, -0.0001223200000000 ] - [ 0.0000108300000000, -0.0000033300000000, 0.0000616200000000 ] - [ -0.0001429000000000, 0.0000041500000000, 0.0007204100000000 ] - [ 0.0000308100000000, 0.0000049200000000, -0.0002395300000000 ] - [ -0.0078727700000000, 0.0029482100000000, 0.0173519700000000 ] - [ -0.0144451400000000, -0.0091055500000000, 0.0012464200000000 ] - [ -0.0037780000000000, 0.0000981100000000, -0.0025565100000000 ] - [ 0.0055218400000000, -0.0046778000000000, -0.0070379900000000 ] - [ -0.0023870300000000, -0.0026472600000000, 0.0161869500000000 ] - [ -0.0243627800000000, 0.0151821200000000, 0.0016116700000000 ] - [ 0.0027762700000000, 0.0054637300000000, -0.0112286900000000 ] - [ 0.1426185600000000, -0.0134982200000000, 0.0067617700000000 ] - [ 0.0012959100000000, 0.0007493700000000, -0.0001555200000000 ] - [ 0.0031835100000000, 0.0001766400000000, 0.0020820300000000 ] - [ 0.0031861500000000, -0.0045574500000000, -0.0082067200000000 ] - [ 0.0104056000000000, 0.0020223200000000, 0.0008494100000000 ] - [ 0.0002044500000000, 0.0000110900000000, -0.0001205900000000 ] - [ 0.0019162300000000, -0.0004408900000000, 0.0002957900000000 ] - [ 0.0044093300000000, 0.0030237500000000, -0.0052436600000000 ] - [ 0.0001682100000000, -0.0000196600000000, -0.0001268600000000 ] - [ -0.0006312500000000, 0.0000278100000000, 0.0008159900000000 ] - [ -0.0000861400000000, 0.0000050100000000, 0.0000887000000000 ] - [ -0.0001576000000000, 0.0000203600000000, -0.0001857200000000 ] - [ 0.0001507300000000, 0.0002284500000000, -0.0007744200000000 ] - [ -0.0000351200000000, -0.0000436600000000, 0.0001529400000000 ] - [ 0.0001608400000000, -0.0000005500000000, -0.0003006200000000 ] - [ 0.0000597300000000, 0.0000220800000000, -0.0004838800000000 ] - [ -0.0000502000000000, -0.0000309000000000, -0.0004899100000000 ] - [ 0.0001631700000000, 0.0000013200000000, 0.0001171400000000 ] - [ -0.0000061400000000, 0.0000437300000000, 0.0001092300000000 ] - [ -0.0000520900000000, 0.0000311300000000, -0.0004909700000000 ] - [ -0.0002038200000000, 0.0000001300000000, -0.0002218200000000 ] - [ -0.0003757200000000, 0.0001253100000000, 0.0002169900000000 ] - [ 0.0003379700000000, -0.0000028100000000, 0.0001468200000000 ] - [ 0.0000534800000000, -0.0000000500000000, -0.0001708200000000 ] - [ -0.0010258400000000, -0.0000359900000000, -0.0002853700000000 ] - [ -0.0000478500000000, 0.0001956900000000, 0.0003602700000000 ] - [ -0.0002957700000000, -0.0001486500000000, 0.0001342700000000 ] - [ -0.0001255100000000, -0.0000384500000000, 0.0001992400000000 ] - [ -0.0000409400000000, -0.0001952800000000, 0.0003560300000000 ] - [ -0.0007378900000000, 0.0000476100000000, 0.0001419400000000 ] - [ 0.0002913400000000, -0.0000454800000000, 0.0003333000000000 ] - [ -0.0001019300000000, 0.0005292900000000, -0.0009261000000000 ] - [ -0.0004161000000000, 0.0000301500000000, 0.0010271800000000 ] - [ -0.0031123800000000, -0.0000166900000000, -0.0028124900000000 ] - [ -0.0118164600000000, -0.0079105900000000, -0.0015408500000000 ] - [ 0.0028235200000000, -0.0006412100000000, 0.0023596600000000 ] - [ -0.0045047000000000, -0.0003736400000000, 0.0012415000000000 ] - [ -0.0028055600000000, -0.0003565100000000, -0.0023101000000000 ] - [ -0.0116594900000000, 0.0065094500000000, 0.0006030200000000 ] - [ -0.0037354100000000, 0.0004660800000000, 0.0008968900000000 ] - [ -0.0079775600000000, 0.0008808900000000, -0.0006367800000000 ] - [ -0.0012774200000000, -0.0000201100000000, -0.0005981100000000 ] - [ -0.0030375900000000, 0.0003600000000000, -0.0023158900000000 ] - [ -0.0032636500000000, -0.0002237900000000, 0.0007284300000000 ] - [ -0.0056683300000000, -0.0006125800000000, -0.0003656700000000 ] - [ -0.0002211300000000, 0.0000639300000000, 0.0000453300000000 ] - [ -0.0007345300000000, 0.0000295200000000, -0.0002290300000000 ] - [ -0.0022775600000000, 0.0000420200000000, 0.0017917700000000 ] - [ -0.0001880800000000, -0.0000493900000000, -0.0000206900000000 ] - [ 0.0000447400000000, -0.0001964600000000, -0.0012026700000000 ] - [ -0.0000094700000000, 0.0000013900000000, 0.0000028000000000 ] - [ -0.0002128700000000, -0.0000221800000000, -0.0005927900000000 ] - [ -0.0003408400000000, 0.0000700800000000, 0.0004362700000000 ] - [ -0.0000063900000000, -0.0000437500000000, 0.0001105000000000 ] - [ 0.0001109300000000, -0.0000021400000000, -0.0002207700000000 ] - [ 0.0002552700000000, -0.0000153300000000, -0.0000518600000000 ] - [ -0.0001339000000000, -0.0000296000000000, -0.0005722800000000 ] - [ 0.0000577200000000, 0.0000017100000000, 0.0001608700000000 ] - [ -0.0000354200000000, 0.0000439200000000, 0.0001516200000000 ] - [ -0.0001275900000000, 0.0000304500000000, -0.0005739200000000 ] - [ -0.0001841900000000, 0.0000001500000000, -0.0002172200000000 ] - [ 0.0004164400000000, 0.0002152600000000, 0.0002944000000000 ] - [ 0.0004855700000000, -0.0000023000000000, 0.0001093500000000 ] - [ 0.0000735300000000, -0.0000002000000000, -0.0001407900000000 ] - [ 0.0015382200000000, 0.0005972800000000, 0.0014873800000000 ] - [ 0.0000248300000000, 0.0001817200000000, 0.0005117800000000 ] - [ 0.0003625400000000, -0.0002106400000000, 0.0002457800000000 ] - [ 0.0002089700000000, 0.0000370800000000, 0.0008399600000000 ] - [ 0.0000242900000000, -0.0001821600000000, 0.0005070800000000 ] - [ 0.0012691500000000, -0.0003562400000000, 0.0004408500000000 ] - [ 0.0000958800000000, 0.0000417700000000, -0.0004117800000000 ] - [ -0.0008044700000000, -0.0001218300000000, 0.0016793700000000 ] - [ 0.0001046100000000, -0.0004505900000000, -0.0004809600000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043922000000000, -0.0015758700000000, -0.0034276000000000 ] - [ 0.0021266800000000, 0.0205424900000000, -0.0066119900000000 ] - [ 0.0011236000000000, 0.0032667100000000, 0.0001212000000000 ] - [ -0.0025187800000000, 0.0003246500000000, -0.0020617100000000 ] - [ -0.0002649800000000, 0.0213977900000000, -0.0006572500000000 ] - [ 0.0004728300000000, 0.0038736100000000, 0.0009913800000000 ] - [ 0.0017939800000000, 0.0085160800000000, -0.0077605800000000 ] - [ -0.0006123400000000, -0.0041811600000000, -0.0001127800000000 ] - [ -0.0161856100000000, 0.0339011600000000, -0.0148407100000000 ] - [ -0.0000393700000000, 0.0000553600000000, -0.0000045400000000 ] - [ 0.0000776200000000, -0.0000929800000000, -0.0002753300000000 ] - [ 0.0000293600000000, 0.0000009600000000, -0.0000872500000000 ] - [ 0.0003927500000000, -0.0000412500000000, -0.0004221100000000 ] - [ 0.0000324700000000, 0.0000014400000000, -0.0001796600000000 ] - [ 0.0000843400000000, 0.0000951900000000, -0.0002667300000000 ] - [ 0.0003864400000000, 0.0000059800000000, -0.0000716700000000 ] - [ 0.0000730600000000, 0.0000555200000000, 0.0001160200000000 ] - [ -0.0000364000000000, 0.0000539400000000, 0.0003447600000000 ] - [ -0.0001449100000000, -0.0002988300000000, 0.0005166300000000 ] - [ 0.0002361300000000, 0.0000054900000000, 0.0006800000000000 ] - [ 0.0000734000000000, -0.0000556100000000, 0.0001164400000000 ] - [ 0.0000705900000000, -0.0001268700000000, 0.0006173700000000 ] - [ 0.0002035600000000, 0.0000000100000000, 0.0004974600000000 ] - [ 0.0001576200000000, -0.0001026100000000, -0.0002452200000000 ] - [ 0.0009024000000000, -0.0000082200000000, 0.0007997900000000 ] - [ -0.0017498100000000, 0.0002562100000000, -0.0020242700000000 ] - [ 0.0016859400000000, -0.0109169700000000, 0.0023927700000000 ] - [ -0.0019969500000000, -0.0016869100000000, 0.0022378300000000 ] - [ -0.0001199100000000, -0.0034132800000000, -0.0003392400000000 ] - [ 0.0000488100000000, -0.0003138900000000, -0.0002331700000000 ] - [ 0.0017488100000000, 0.0001093100000000, 0.0012664300000000 ] - [ -0.0000554100000000, 0.0003161900000000, -0.0002220500000000 ] - [ 0.0033396100000000, 0.0004956800000000, -0.0017427900000000 ] - [ 0.0001742200000000, 0.0000409900000000, 0.0004941700000000 ] - [ 0.0001173200000000, -0.0000811400000000, -0.0002410100000000 ] - [ 0.0000370100000000, 0.0000005000000000, -0.0001077900000000 ] - [ -0.0000385600000000, -0.0001231000000000, 0.0000161600000000 ] - [ 0.0000261800000000, 0.0000009100000000, -0.0001851600000000 ] - [ 0.0001229700000000, 0.0000824500000000, -0.0002331900000000 ] - [ 0.0003355200000000, 0.0000054200000000, -0.0000096400000000 ] - [ 0.0000553600000000, 0.0000536900000000, 0.0001163600000000 ] - [ -0.0005342200000000, -0.0000107700000000, -0.0001440800000000 ] - [ 0.0000527100000000, 0.0001368600000000, 0.0006124100000000 ] - [ 0.0001495300000000, 0.0000019000000000, 0.0006435000000000 ] - [ 0.0000559600000000, -0.0000544200000000, 0.0001166100000000 ] - [ -0.0002047800000000, 0.0002971500000000, 0.0003713500000000 ] - [ 0.0001913100000000, -0.0000001900000000, 0.0005520300000000 ] - [ -0.0005258300000000, 0.0004280400000000, 0.0037788300000000 ] - [ -0.0001513000000000, -0.0000092700000000, -0.0001707000000000 ] - [ 0.0000293000000000, -0.0000033500000000, 0.0000994200000000 ] - [ 0.0001731000000000, -0.0000123900000000, 0.0005689700000000 ] - [ -0.0000175200000000, 0.0000029700000000, -0.0001650700000000 ] - [ -0.0000549700000000, -0.0000082400000000, -0.0001723600000000 ] - [ 0.0000282300000000, -0.0000032100000000, 0.0001103400000000 ] - [ 0.0001227700000000, -0.0000023500000000, 0.0006576100000000 ] - [ -0.0000063800000000, 0.0000026000000000, -0.0001758300000000 ] - [ -0.0023378600000000, -0.0050235800000000, 0.0026040800000000 ] - [ 0.0077118700000000, 0.0021163400000000, -0.0008146100000000 ] - [ -0.0001766900000000, -0.0017150100000000, 0.0002055500000000 ] - [ 0.0038836600000000, 0.0099185200000000, 0.0130341200000000 ] - [ 0.0020509200000000, -0.0050756100000000, -0.0034029000000000 ] - [ -0.0177880000000000, 0.0053451500000000, 0.0018711500000000 ] - [ -0.0056245600000000, 0.0067069300000000, -0.0181290500000000 ] - [ 0.0123842400000000, -0.1557864000000000, 0.0258689500000000 ] - [ -0.0010966200000000, -0.0003041200000000, 0.0000464000000000 ] - [ -0.0003814800000000, 0.0021675700000000, 0.0011695000000000 ] - [ 0.0030965500000000, 0.0024664800000000, 0.0084259500000000 ] - [ 0.0020019200000000, 0.0512969100000000, 0.0020974200000000 ] - [ -0.0000316300000000, 0.0000553800000000, -0.0001832700000000 ] - [ 0.0008349400000000, 0.0000513200000000, -0.0007821400000000 ] - [ 0.0000521600000000, 0.0040545900000000, -0.0065521800000000 ] - [ -0.0000350400000000, -0.0000610400000000, -0.0001657000000000 ] - [ 0.0001184900000000, -0.0002562000000000, -0.0000445500000000 ] - [ -0.0000523300000000, -0.0000014900000000, -0.0000012000000000 ] - [ -0.0001765400000000, -0.0000069700000000, -0.0003784200000000 ] - [ -0.0002875400000000, -0.0004694500000000, -0.0000684600000000 ] - [ -0.0000209100000000, -0.0000423400000000, 0.0000704100000000 ] - [ 0.0001280800000000, 0.0000005100000000, -0.0003378100000000 ] - [ 0.0001043000000000, 0.0000109800000000, -0.0003631300000000 ] - [ -0.0000811500000000, -0.0000259800000000, -0.0005953100000000 ] - [ 0.0001167100000000, 0.0000002900000000, 0.0000708000000000 ] - [ -0.0000203000000000, 0.0000432500000000, 0.0000627400000000 ] - [ -0.0000816400000000, 0.0000258600000000, -0.0005927800000000 ] - [ -0.0001964800000000, -0.0000000200000000, -0.0002833600000000 ] - [ -0.0000309900000000, 0.0001515400000000, 0.0001496900000000 ] - [ 0.0004079500000000, -0.0000005000000000, 0.0000643600000000 ] - [ 0.0000619300000000, 0.0000002300000000, -0.0002221300000000 ] - [ -0.0001234100000000, -0.0000040100000000, 0.0002556500000000 ] - [ -0.0000177900000000, 0.0001978400000000, 0.0003613800000000 ] - [ -0.0000127100000000, -0.0001562000000000, 0.0001302800000000 ] - [ 0.0000563200000000, -0.0000004500000000, 0.0004711700000000 ] - [ -0.0000162600000000, -0.0001968000000000, 0.0003603200000000 ] - [ -0.0000452200000000, 0.0000117000000000, 0.0003367700000000 ] - [ 0.0002832300000000, -0.0000098900000000, -0.0000909000000000 ] - [ -0.0001150800000000, 0.0011602700000000, -0.0000610000000000 ] - [ -0.0000834900000000, -0.0000531400000000, 0.0004525500000000 ] - [ -0.0001365800000000, 0.0019966900000000, 0.0002327600000000 ] - [ 0.0088974700000000, 0.0045866900000000, 0.0005704500000000 ] - [ 0.0007291800000000, 0.0020792300000000, -0.0008753400000000 ] - [ -0.0001429800000000, -0.0001772700000000, -0.0011020700000000 ] - [ -0.0000395300000000, 0.0007694400000000, -0.0003336600000000 ] - [ -0.0070764000000000, 0.0030056400000000, 0.0005040900000000 ] - [ -0.0006367200000000, 0.0000793400000000, 0.0005297100000000 ] - [ -0.0009511900000000, 0.0020399900000000, -0.0001994100000000 ] - [ -0.0004547300000000, 0.0000147700000000, -0.0003351100000000 ] - [ -0.0001379200000000, -0.0006992400000000, -0.0003443400000000 ] - [ 0.0002997900000000, 0.0001129900000000, -0.0004528700000000 ] - [ -0.0006847900000000, -0.0014603600000000, -0.0001329100000000 ] - [ -0.0000163600000000, 0.0000334600000000, -0.0001121300000000 ] - [ 0.0000855800000000, -0.0000062000000000, 0.0000628200000000 ] - [ -0.0001612100000000, -0.0001497400000000, 0.0010314600000000 ] - [ -0.0000286000000000, -0.0000379400000000, -0.0000894500000000 ] - [ -0.0003968700000000, 0.0006903000000000, -0.0001861600000000 ] - [ -0.0000584600000000, -0.0000013000000000, -0.0000283300000000 ] - [ -0.0001970500000000, -0.0000035200000000, -0.0004025800000000 ] - [ 0.0000094200000000, 0.0002284800000000, 0.0000918900000000 ] - [ -0.0000200400000000, -0.0000431500000000, 0.0000624200000000 ] - [ 0.0001437000000000, 0.0000007900000000, -0.0003243900000000 ] - [ 0.0002393700000000, 0.0000063400000000, -0.0003586100000000 ] - [ -0.0000987500000000, -0.0000264200000000, -0.0005949600000000 ] - [ 0.0000987300000000, 0.0000004900000000, 0.0000834200000000 ] - [ -0.0000213200000000, 0.0000427400000000, 0.0000701100000000 ] - [ -0.0000996700000000, 0.0000266100000000, -0.0005916300000000 ] - [ -0.0001920600000000, -0.0000000200000000, -0.0002799500000000 ] - [ 0.0000994300000000, 0.0002291100000000, 0.0001412200000000 ] - [ 0.0004245800000000, -0.0000003100000000, 0.0000555900000000 ] - [ 0.0000665900000000, 0.0000001600000000, -0.0002152300000000 ] - [ -0.0005153300000000, 0.0000501700000000, 0.0011240100000000 ] - [ -0.0000005700000000, 0.0001961500000000, 0.0003866400000000 ] - [ 0.0000875400000000, -0.0002327600000000, 0.0001332000000000 ] - [ 0.0000358800000000, 0.0000103800000000, 0.0006222000000000 ] - [ -0.0000009700000000, -0.0001958200000000, 0.0003855800000000 ] - [ 0.0006785800000000, -0.0001107800000000, -0.0002693500000000 ] - [ 0.0001244200000000, 0.0000174500000000, -0.0002073700000000 ] - [ -0.0001793000000000, 0.0000430500000000, 0.0006051000000000 ] - [ -0.0000980500000000, -0.0009124900000000, 0.0000585300000000 ]- atom: 64 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041295100000000, 0.0015239700000000, 0.0040844900000000 ] - [ -0.0013676600000000, -0.0193489000000000, 0.0047975300000000 ] - [ -0.0009403500000000, -0.0032022000000000, -0.0001417500000000 ] - [ 0.0022825900000000, -0.0003274800000000, 0.0013463800000000 ] - [ 0.0004449900000000, -0.0214744200000000, 0.0006194700000000 ] - [ -0.0004637300000000, -0.0038815600000000, -0.0009772700000000 ] - [ -0.0023996500000000, -0.0077480500000000, 0.0086103100000000 ] - [ 0.0005767500000000, 0.0041882400000000, 0.0001026000000000 ] - [ 0.0176007600000000, -0.0365420100000000, 0.0163314300000000 ] - [ 0.0000313800000000, -0.0000525400000000, -0.0000431400000000 ] - [ 0.0001184900000000, -0.0000545900000000, -0.0004660400000000 ] - [ 0.0000639200000000, -0.0000006600000000, -0.0003330400000000 ] - [ 0.0002104100000000, 0.0000399200000000, 0.0001920800000000 ] - [ 0.0000240800000000, -0.0000013000000000, -0.0004816700000000 ] - [ 0.0001120800000000, 0.0000528200000000, -0.0004741900000000 ] - [ 0.0003217800000000, -0.0000056500000000, -0.0002602300000000 ] - [ 0.0000439500000000, 0.0000291200000000, -0.0001114700000000 ] - [ -0.0002040700000000, -0.0000509000000000, 0.0002414700000000 ] - [ -0.0000708400000000, 0.0005340800000000, 0.0004314900000000 ] - [ 0.0001780600000000, -0.0000048800000000, 0.0004097500000000 ] - [ 0.0000436400000000, -0.0000285800000000, -0.0001120300000000 ] - [ -0.0002882400000000, -0.0001077600000000, 0.0003307000000000 ] - [ 0.0001907200000000, 0.0000000200000000, 0.0002593400000000 ] - [ -0.0000878500000000, 0.0000970800000000, -0.0000053100000000 ] - [ -0.0006167400000000, 0.0000089900000000, -0.0002076200000000 ] - [ 0.0016221400000000, -0.0002540300000000, 0.0012627500000000 ] - [ -0.0014425200000000, 0.0110346500000000, -0.0023944300000000 ] - [ 0.0017999600000000, 0.0016366300000000, -0.0029915500000000 ] - [ 0.0002576000000000, 0.0033494500000000, 0.0002845200000000 ] - [ -0.0000923400000000, 0.0003229800000000, 0.0002454900000000 ] - [ -0.0019711900000000, -0.0001058400000000, -0.0011134500000000 ] - [ 0.0000057700000000, -0.0003249100000000, 0.0002328700000000 ] - [ -0.0035664400000000, -0.0004990800000000, 0.0018706400000000 ] - [ -0.0001768200000000, -0.0000389200000000, -0.0005478100000000 ] - [ 0.0000793100000000, -0.0000665000000000, -0.0005017700000000 ] - [ 0.0000563300000000, -0.0000004300000000, -0.0003127100000000 ] - [ 0.0006452400000000, 0.0001178000000000, -0.0002370000000000 ] - [ 0.0000304300000000, -0.0000005500000000, -0.0004760200000000 ] - [ 0.0000738400000000, 0.0000656500000000, -0.0005093400000000 ] - [ 0.0003745900000000, -0.0000049400000000, -0.0003220200000000 ] - [ 0.0000612200000000, 0.0000307500000000, -0.0001119700000000 ] - [ 0.0002895800000000, 0.0000118900000000, 0.0007330700000000 ] - [ -0.0002691000000000, 0.0000982200000000, 0.0003360300000000 ] - [ 0.0002642600000000, -0.0000014500000000, 0.0004456500000000 ] - [ 0.0000608400000000, -0.0000297300000000, -0.0001122000000000 ] - [ -0.0000142700000000, -0.0005319500000000, 0.0005698400000000 ] - [ 0.0002026200000000, 0.0000003800000000, 0.0002055700000000 ] - [ 0.0005850200000000, -0.0004286900000000, -0.0040526100000000 ] - [ -0.0000150900000000, 0.0000032200000000, -0.0002543500000000 ] - [ 0.0000283700000000, -0.0000033200000000, -0.0000675500000000 ] - [ 0.0000910900000000, 0.0000057600000000, 0.0004537400000000 ] - [ -0.0000038900000000, 0.0000040900000000, -0.0003585000000000 ] - [ -0.0001146400000000, 0.0000022200000000, -0.0002538500000000 ] - [ 0.0000295200000000, -0.0000034000000000, -0.0000786000000000 ] - [ 0.0001403300000000, -0.0000040000000000, 0.0003654500000000 ] - [ -0.0000154500000000, 0.0000044800000000, -0.0003476800000000 ] - [ 0.0021949200000000, 0.0051791900000000, -0.0022753900000000 ] - [ -0.0078742100000000, -0.0021374200000000, 0.0002772000000000 ] - [ 0.0001714900000000, 0.0016458200000000, 0.0000105700000000 ] - [ -0.0046561000000000, -0.0098929700000000, -0.0142367200000000 ] - [ -0.0022418900000000, 0.0049410200000000, 0.0025881400000000 ] - [ 0.0173163100000000, -0.0054164500000000, -0.0018494100000000 ] - [ 0.0051571500000000, -0.0067682300000000, 0.0178880400000000 ] - [ -0.0145604500000000, 0.1560306500000000, -0.0271002800000000 ] - [ 0.0001904900000000, 0.0002966900000000, -0.0007906400000000 ] - [ 0.0000984600000000, -0.0019416600000000, -0.0018195900000000 ] - [ -0.0032516200000000, -0.0024864800000000, -0.0088324500000000 ] - [ -0.0021913000000000, -0.0508425100000000, -0.0024544000000000 ] - [ -0.0000178200000000, 0.0000294400000000, 0.0000687900000000 ] - [ -0.0004518500000000, -0.0000459400000000, 0.0006185800000000 ] - [ 0.0005469900000000, -0.0040452000000000, 0.0068730600000000 ] - [ -0.0000144400000000, -0.0000235500000000, 0.0000523400000000 ] - [ -0.0002188700000000, -0.0000432700000000, 0.0000835200000000 ] - [ -0.0000514000000000, 0.0000016000000000, 0.0001286600000000 ] - [ -0.0001883400000000, 0.0000068700000000, -0.0003070200000000 ] - [ 0.0001833900000000, 0.0007699600000000, 0.0001205600000000 ] - [ -0.0000200600000000, -0.0000435700000000, 0.0002333500000000 ] - [ 0.0001373300000000, -0.0000003300000000, -0.0001462900000000 ] - [ 0.0002379100000000, -0.0000106700000000, -0.0000732600000000 ] - [ -0.0000975000000000, -0.0000354600000000, -0.0004201600000000 ] - [ 0.0001017400000000, 0.0000000000000000, 0.0002408500000000 ] - [ -0.0000214800000000, 0.0000434900000000, 0.0002408100000000 ] - [ -0.0000966400000000, 0.0000358700000000, -0.0004221400000000 ] - [ -0.0001922500000000, 0.0000000600000000, -0.0001119000000000 ] - [ 0.0000705800000000, 0.0001743100000000, 0.0002555900000000 ] - [ 0.0004060500000000, 0.0000006900000000, 0.0002283900000000 ] - [ 0.0000663700000000, -0.0000000600000000, -0.0000467700000000 ] - [ 0.0000340600000000, 0.0000036100000000, 0.0004885400000000 ] - [ 0.0000061200000000, 0.0001751800000000, 0.0005506400000000 ] - [ 0.0000532000000000, -0.0001696900000000, 0.0002739800000000 ] - [ 0.0000765200000000, 0.0000006700000000, 0.0006368000000000 ] - [ 0.0000044900000000, -0.0001757900000000, 0.0005515500000000 ] - [ 0.0001586300000000, -0.0000110700000000, 0.0003391400000000 ] - [ 0.0001200700000000, 0.0000095400000000, 0.0001727900000000 ] - [ -0.0000233100000000, -0.0009126900000000, 0.0010232100000000 ] - [ -0.0000555000000000, -0.0001951700000000, 0.0005095300000000 ] - [ 0.0001261800000000, -0.0019294900000000, -0.0000169800000000 ] - [ -0.0092075400000000, -0.0045737200000000, -0.0011161400000000 ] - [ -0.0007324500000000, -0.0021534700000000, 0.0010626300000000 ] - [ -0.0005432100000000, 0.0001710700000000, 0.0000720400000000 ] - [ -0.0002138600000000, -0.0009986300000000, -0.0003317600000000 ] - [ 0.0067907600000000, -0.0029995900000000, -0.0004891900000000 ] - [ 0.0001942000000000, -0.0000715300000000, -0.0006735900000000 ] - [ 0.0007906700000000, -0.0020310600000000, -0.0001335400000000 ] - [ -0.0004434000000000, -0.0000143000000000, -0.0004072100000000 ] - [ -0.0001143300000000, 0.0009288400000000, -0.0003199200000000 ] - [ -0.0004544100000000, -0.0001079700000000, -0.0000020300000000 ] - [ 0.0005244900000000, 0.0014513200000000, -0.0002006500000000 ] - [ -0.0000312100000000, 0.0000512400000000, -0.0000033100000000 ] - [ 0.0003128700000000, 0.0000061600000000, -0.0002262600000000 ] - [ 0.0007448800000000, 0.0001474200000000, -0.0008154600000000 ] - [ -0.0000194000000000, -0.0000465500000000, -0.0000247500000000 ] - [ 0.0002916400000000, -0.0009898600000000, 0.0002354800000000 ] - [ -0.0000456200000000, 0.0000015700000000, 0.0001562000000000 ] - [ -0.0001673800000000, 0.0000035900000000, -0.0002808100000000 ] - [ -0.0001146900000000, 0.0000696700000000, -0.0000469700000000 ] - [ -0.0000213000000000, -0.0000432000000000, 0.0002409200000000 ] - [ 0.0001219300000000, -0.0000004600000000, -0.0001599700000000 ] - [ 0.0001014000000000, -0.0000058300000000, -0.0000792800000000 ] - [ -0.0000793800000000, -0.0000352100000000, -0.0004201600000000 ] - [ 0.0001195600000000, -0.0000002600000000, 0.0002285200000000 ] - [ -0.0000202700000000, 0.0000439500000000, 0.0002328200000000 ] - [ -0.0000780500000000, 0.0000352500000000, -0.0004231900000000 ] - [ -0.0001958300000000, 0.0000001700000000, -0.0001155000000000 ] - [ -0.0000581300000000, 0.0000968100000000, 0.0002644100000000 ] - [ 0.0003897100000000, 0.0000005500000000, 0.0002373300000000 ] - [ 0.0000615900000000, 0.0000000800000000, -0.0000539400000000 ] - [ 0.0004323900000000, -0.0000439400000000, -0.0003772400000000 ] - [ -0.0000110400000000, 0.0001769200000000, 0.0005257500000000 ] - [ -0.0000463100000000, -0.0000929900000000, 0.0002715000000000 ] - [ 0.0000973200000000, -0.0000097000000000, 0.0004867600000000 ] - [ -0.0000107700000000, -0.0001766400000000, 0.0005266700000000 ] - [ -0.0005637500000000, 0.0001080800000000, 0.0009476800000000 ] - [ 0.0002790400000000, -0.0000173800000000, 0.0002877900000000 ] - [ 0.0000357600000000, 0.0002043600000000, 0.0003647300000000 ] - [ -0.0000406100000000, 0.0006650000000000, 0.0009029000000000 ]- atom: 64 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0056692400000000, -0.0041271900000000, -0.0026534000000000 ] - [ 0.0029047000000000, -0.0036567400000000, 0.0277933200000000 ] - [ 0.0036067500000000, -0.0000132100000000, 0.0093098600000000 ] - [ -0.0081238500000000, -0.0011188000000000, 0.0046427800000000 ] - [ 0.0031706100000000, -0.0007274100000000, 0.0264282900000000 ] - [ -0.0008229100000000, -0.0002433600000000, -0.0075803600000000 ] - [ 0.0069057900000000, -0.0069853400000000, 0.0210274800000000 ] - [ 0.0042672900000000, 0.0000593000000000, -0.0040295400000000 ] - [ 0.0107462900000000, -0.0128896500000000, 0.0329161700000000 ] - [ 0.0004109000000000, -0.0002580800000000, -0.0017962700000000 ] - [ 0.0002217400000000, -0.0001702900000000, -0.0024042000000000 ] - [ 0.0002153800000000, 0.0000029800000000, -0.0024083200000000 ] - [ -0.0017485700000000, 0.0002988500000000, -0.0022939800000000 ] - [ -0.0000214300000000, -0.0000036000000000, -0.0031632400000000 ] - [ 0.0001913500000000, 0.0001706300000000, -0.0024449700000000 ] - [ 0.0002248500000000, -0.0000260900000000, -0.0021361600000000 ] - [ -0.0000683900000000, -0.0001336500000000, -0.0021255500000000 ] - [ 0.0001408300000000, 0.0002086200000000, -0.0009497600000000 ] - [ 0.0011395700000000, 0.0001877400000000, -0.0016924200000000 ] - [ -0.0000462800000000, 0.0000236600000000, -0.0018523800000000 ] - [ -0.0000647000000000, 0.0001338100000000, -0.0021245200000000 ] - [ -0.0017761000000000, -0.0001818100000000, -0.0012999100000000 ] - [ 0.0003088300000000, -0.0000055000000000, -0.0018748500000000 ] - [ 0.0007310300000000, -0.0004161600000000, 0.0002530600000000 ] - [ -0.0019648900000000, 0.0000271900000000, 0.0011855700000000 ] - [ -0.0019916900000000, 0.0000048700000000, 0.0047983800000000 ] - [ -0.0045078900000000, 0.0006409300000000, 0.0127749000000000 ] - [ 0.0063701000000000, 0.0054127400000000, 0.0081242700000000 ] - [ 0.0008181300000000, 0.0001538600000000, 0.0069084200000000 ] - [ -0.0002709300000000, 0.0002772600000000, 0.0007595700000000 ] - [ -0.0016808800000000, 0.0000495800000000, 0.0053745700000000 ] - [ 0.0002290300000000, -0.0002690200000000, 0.0007854700000000 ] - [ -0.0016589700000000, -0.0005083400000000, 0.0061403300000000 ] - [ -0.0003301900000000, -0.0002895800000000, -0.0035149000000000 ] - [ -0.0001337000000000, -0.0002219300000000, -0.0027205200000000 ] - [ 0.0003018800000000, 0.0000032000000000, -0.0023617500000000 ] - [ 0.0020522500000000, 0.0005648300000000, -0.0026269900000000 ] - [ 0.0000817000000000, -0.0000033200000000, -0.0030996900000000 ] - [ -0.0001692400000000, 0.0002214600000000, -0.0027719800000000 ] - [ 0.0007566900000000, -0.0000284600000000, -0.0025441500000000 ] - [ -0.0000291400000000, -0.0001443800000000, -0.0022177800000000 ] - [ 0.0001019900000000, 0.0003039600000000, -0.0030230200000000 ] - [ -0.0014583500000000, 0.0001771100000000, -0.0011641300000000 ] - [ 0.0004283800000000, 0.0000297200000000, -0.0021983400000000 ] - [ -0.0000259900000000, 0.0001444600000000, -0.0022145000000000 ] - [ 0.0008613700000000, -0.0001911900000000, -0.0021974700000000 ] - [ 0.0000902300000000, -0.0000072900000000, -0.0020594900000000 ] - [ 0.0002772000000000, -0.0012619500000000, -0.0079218100000000 ] - [ 0.0003107200000000, 0.0000206300000000, -0.0023326200000000 ] - [ 0.0000386800000000, -0.0000034800000000, -0.0016519200000000 ] - [ 0.0002123800000000, -0.0000369900000000, -0.0009698800000000 ] - [ 0.0000425400000000, 0.0000075000000000, -0.0020639400000000 ] - [ -0.0003606400000000, 0.0000167100000000, -0.0012697900000000 ] - [ 0.0000211100000000, -0.0000035200000000, -0.0017316800000000 ] - [ 0.0001024000000000, -0.0000481100000000, -0.0015623100000000 ] - [ -0.0000654200000000, 0.0000077100000000, -0.0019868600000000 ] - [ -0.0167739300000000, 0.0018740600000000, 0.0083800300000000 ] - [ 0.0026023900000000, 0.0017976100000000, -0.0086466000000000 ] - [ 0.0031227100000000, 0.0004768300000000, -0.0016105200000000 ] - [ 0.0055614400000000, 0.0154384900000000, 0.0105561900000000 ] - [ -0.0163646600000000, -0.0039892100000000, 0.0146507900000000 ] - [ 0.0047920600000000, -0.0021256800000000, -0.0091983500000000 ] - [ 0.0083801700000000, -0.0150297200000000, 0.0188895000000000 ] - [ -0.0258532500000000, 0.0279134600000000, -0.1539610500000000 ] - [ -0.0013264000000000, 0.0006360400000000, 0.0022617600000000 ] - [ -0.0031486200000000, -0.0000834700000000, -0.0037424500000000 ] - [ 0.0058117900000000, 0.0099896300000000, 0.0118803500000000 ] - [ -0.0025805200000000, -0.0025994400000000, -0.0124129700000000 ] - [ -0.0000720000000000, 0.0000783200000000, 0.0018661100000000 ] - [ -0.0006250900000000, -0.0003637800000000, 0.0025591700000000 ] - [ 0.0011620200000000, -0.0077853900000000, 0.0073788500000000 ] - [ -0.0000351700000000, -0.0000603400000000, 0.0017580800000000 ] - [ -0.0011583500000000, 0.0002367100000000, 0.0010468700000000 ] - [ -0.0000867400000000, 0.0000073200000000, 0.0015178900000000 ] - [ -0.0004792400000000, 0.0000340000000000, 0.0010496300000000 ] - [ 0.0010824100000000, 0.0001247000000000, 0.0022313500000000 ] - [ -0.0000470700000000, -0.0000443600000000, 0.0017319600000000 ] - [ 0.0001744300000000, -0.0000030400000000, 0.0014341400000000 ] - [ 0.0005649800000000, -0.0000465500000000, 0.0017553600000000 ] - [ -0.0001782700000000, -0.0000485600000000, 0.0011020000000000 ] - [ 0.0001297500000000, 0.0000023900000000, 0.0018118500000000 ] - [ 0.0000001700000000, 0.0000436500000000, 0.0017962500000000 ] - [ -0.0001724200000000, 0.0000507900000000, 0.0010891100000000 ] - [ -0.0001951200000000, 0.0000010500000000, 0.0014084800000000 ] - [ 0.0000811600000000, 0.0001651600000000, 0.0014103100000000 ] - [ 0.0003029400000000, -0.0000024000000000, 0.0016191400000000 ] - [ 0.0000732600000000, -0.0000014500000000, 0.0014305300000000 ] - [ 0.0005841200000000, -0.0000065300000000, 0.0008132300000000 ] - [ 0.0001058400000000, 0.0001009000000000, 0.0020304600000000 ] - [ 0.0001484100000000, -0.0001848600000000, 0.0013448700000000 ] - [ 0.0005561200000000, 0.0000608400000000, 0.0022186200000000 ] - [ 0.0001072000000000, -0.0001020700000000, 0.0020138900000000 ] - [ 0.0005503800000000, 0.0000070600000000, 0.0006467300000000 ] - [ -0.0001797700000000, -0.0000401900000000, 0.0016938800000000 ] - [ 0.0014041400000000, -0.0006446000000000, 0.0037129000000000 ] - [ -0.0005718000000000, -0.0000347800000000, 0.0007977100000000 ] - [ 0.0029391100000000, -0.0005574500000000, -0.0022036500000000 ] - [ 0.0009918300000000, 0.0007091500000000, -0.0086239200000000 ] - [ -0.0033741300000000, 0.0003396700000000, -0.0032940900000000 ] - [ -0.0003168800000000, -0.0005750200000000, -0.0029799200000000 ] - [ 0.0015906000000000, 0.0005052400000000, -0.0022771100000000 ] - [ 0.0026801700000000, -0.0016021100000000, -0.0070864600000000 ] - [ -0.0009731700000000, 0.0005991400000000, -0.0030628400000000 ] - [ 0.0015124600000000, -0.0001492200000000, -0.0037416400000000 ] - [ -0.0001933400000000, -0.0000485200000000, -0.0005525100000000 ] - [ 0.0017759600000000, -0.0004686400000000, -0.0020032200000000 ] - [ -0.0013912000000000, -0.0005813300000000, -0.0024864800000000 ] - [ 0.0009147600000000, 0.0000451600000000, -0.0037878400000000 ] - [ -0.0000873100000000, 0.0000694700000000, 0.0012000700000000 ] - [ 0.0007004100000000, 0.0000272300000000, -0.0000003800000000 ] - [ 0.0003573100000000, 0.0004049300000000, -0.0021022100000000 ] - [ -0.0000306300000000, -0.0000467800000000, 0.0010970400000000 ] - [ 0.0014202300000000, -0.0001723100000000, 0.0031645700000000 ] - [ 0.0000004600000000, 0.0000080900000000, 0.0017504400000000 ] - [ 0.0000990100000000, 0.0000530900000000, 0.0013402500000000 ] - [ -0.0006649000000000, -0.0000822100000000, 0.0004399300000000 ] - [ -0.0000009500000000, -0.0000436200000000, 0.0017996200000000 ] - [ 0.0000558500000000, -0.0000024600000000, 0.0012793900000000 ] - [ -0.0001350200000000, -0.0000261900000000, 0.0015698400000000 ] - [ 0.0000056200000000, -0.0000441000000000, 0.0011072200000000 ] - [ 0.0000875100000000, 0.0000014900000000, 0.0016812900000000 ] - [ -0.0000461600000000, 0.0000447200000000, 0.0017287000000000 ] - [ 0.0000104100000000, 0.0000463900000000, 0.0010905800000000 ] - [ -0.0001879400000000, 0.0000011500000000, 0.0014206200000000 ] - [ -0.0001590200000000, 0.0001264300000000, 0.0021212600000000 ] - [ 0.0003396800000000, -0.0000037300000000, 0.0017934400000000 ] - [ 0.0000589800000000, -0.0000011400000000, 0.0014371600000000 ] - [ -0.0009638800000000, 0.0002822200000000, 0.0029038300000000 ] - [ -0.0000351700000000, 0.0001261500000000, 0.0020334200000000 ] - [ -0.0001064200000000, -0.0001446000000000, 0.0020169200000000 ] - [ -0.0003323900000000, 0.0000270400000000, 0.0020405100000000 ] - [ -0.0000307100000000, -0.0001267400000000, 0.0020199700000000 ] - [ -0.0013472200000000, -0.0001027600000000, 0.0025043500000000 ] - [ 0.0006590000000000, -0.0000859200000000, 0.0021027800000000 ] - [ -0.0009097200000000, -0.0000510300000000, 0.0013632900000000 ] - [ 0.0010055800000000, 0.0004816500000000, 0.0026926800000000 ]- atom: 64 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0054114000000000, 0.0041273600000000, 0.0032244600000000 ] - [ -0.0026148700000000, 0.0043042200000000, -0.0290207400000000 ] - [ -0.0034326900000000, 0.0000897900000000, -0.0094251200000000 ] - [ 0.0078595500000000, 0.0011073000000000, -0.0053074200000000 ] - [ -0.0044215300000000, 0.0005613900000000, -0.0274120400000000 ] - [ 0.0008054300000000, 0.0002492100000000, 0.0075835600000000 ] - [ -0.0074719500000000, 0.0075318100000000, -0.0203287600000000 ] - [ -0.0042743300000000, -0.0000674200000000, 0.0040385700000000 ] - [ -0.0106028300000000, 0.0122395200000000, -0.0326435100000000 ] - [ -0.0004151800000000, 0.0002576600000000, 0.0017532000000000 ] - [ -0.0000246100000000, 0.0000227300000000, 0.0016659200000000 ] - [ -0.0001220200000000, -0.0000027800000000, 0.0019907200000000 ] - [ 0.0023446300000000, -0.0002968000000000, 0.0020666500000000 ] - [ 0.0000778900000000, 0.0000036100000000, 0.0025052200000000 ] - [ 0.0000057200000000, -0.0000227200000000, 0.0017066000000000 ] - [ 0.0004830600000000, 0.0000261900000000, 0.0018077800000000 ] - [ 0.0001857600000000, 0.0002183300000000, 0.0021325400000000 ] - [ -0.0003830600000000, -0.0002088900000000, 0.0015332300000000 ] - [ -0.0013625900000000, 0.0000452300000000, 0.0026399300000000 ] - [ 0.0004618600000000, -0.0000234700000000, 0.0029442400000000 ] - [ 0.0001820200000000, -0.0002181600000000, 0.0021312700000000 ] - [ 0.0015687200000000, -0.0000524600000000, 0.0022483600000000 ] - [ 0.0000849100000000, 0.0000055500000000, 0.0026342400000000 ] - [ -0.0006677600000000, 0.0004180200000000, -0.0005164800000000 ] - [ 0.0022649800000000, -0.0000278900000000, -0.0006111800000000 ] - [ 0.0018568300000000, 0.0000003000000000, -0.0056115900000000 ] - [ 0.0046791700000000, -0.0005833700000000, -0.0129625100000000 ] - [ -0.0065920400000000, -0.0054048600000000, -0.0087880200000000 ] - [ -0.0006494000000000, -0.0002303700000000, -0.0070216400000000 ] - [ 0.0002323600000000, -0.0002666100000000, -0.0007321200000000 ] - [ 0.0014895700000000, -0.0000447400000000, -0.0051727100000000 ] - [ -0.0002662000000000, 0.0002586600000000, -0.0007588700000000 ] - [ 0.0014375000000000, 0.0005009700000000, -0.0059909000000000 ] - [ 0.0003259000000000, 0.0002882600000000, 0.0034635400000000 ] - [ 0.0003300300000000, 0.0000741900000000, 0.0019806600000000 ] - [ -0.0002088800000000, -0.0000032300000000, 0.0019438200000000 ] - [ -0.0014413100000000, -0.0005623400000000, 0.0024008800000000 ] - [ -0.0000248500000000, 0.0000035900000000, 0.0024416600000000 ] - [ 0.0003653300000000, -0.0000733900000000, 0.0020317400000000 ] - [ -0.0000462800000000, 0.0000285600000000, 0.0022145500000000 ] - [ 0.0001456500000000, 0.0002289100000000, 0.0022250700000000 ] - [ -0.0003495400000000, -0.0003064700000000, 0.0036169900000000 ] - [ 0.0012485700000000, 0.0000575700000000, 0.0021114100000000 ] - [ -0.0000157700000000, -0.0000297100000000, 0.0032912800000000 ] - [ 0.0001426600000000, -0.0002288300000000, 0.0022217300000000 ] - [ -0.0010833600000000, -0.0000414900000000, 0.0031456300000000 ] - [ 0.0003042800000000, 0.0000075400000000, 0.0028206500000000 ] - [ -0.0002204700000000, 0.0012762500000000, 0.0077050300000000 ] - [ -0.0004770900000000, -0.0000264900000000, 0.0019076100000000 ] - [ 0.0000189600000000, -0.0000031900000000, 0.0016861200000000 ] - [ 0.0000513300000000, 0.0000307900000000, 0.0019930500000000 ] - [ -0.0000639200000000, -0.0000004500000000, 0.0015423300000000 ] - [ 0.0001907700000000, -0.0000225700000000, 0.0008479400000000 ] - [ 0.0000367700000000, -0.0000031900000000, 0.0017656200000000 ] - [ 0.0001608100000000, 0.0000421700000000, 0.0025891000000000 ] - [ 0.0000435100000000, -0.0000005900000000, 0.0014656300000000 ] - [ 0.0169768500000000, -0.0018070700000000, -0.0082503000000000 ] - [ -0.0028669300000000, -0.0018234300000000, 0.0081164600000000 ] - [ -0.0031511300000000, -0.0005554800000000, 0.0018444300000000 ] - [ -0.0063597900000000, -0.0157007100000000, -0.0117567100000000 ] - [ 0.0158706200000000, 0.0037410400000000, -0.0151131500000000 ] - [ -0.0050904300000000, 0.0020819200000000, 0.0092482400000000 ] - [ -0.0089935100000000, 0.0153503500000000, -0.0193757000000000 ] - [ 0.0268686100000000, -0.0283286100000000, 0.1544166100000000 ] - [ 0.0004185200000000, -0.0006361700000000, -0.0030046500000000 ] - [ 0.0028738800000000, 0.0003077600000000, 0.0030482900000000 ] - [ -0.0058884200000000, -0.0098201300000000, -0.0121258800000000 ] - [ 0.0024167700000000, 0.0025028600000000, 0.0121000600000000 ] - [ 0.0000226500000000, 0.0000064900000000, -0.0019813500000000 ] - [ 0.0010142200000000, 0.0003643400000000, -0.0027236400000000 ] - [ -0.0005587800000000, 0.0076792900000000, -0.0070516900000000 ] - [ -0.0000137600000000, -0.0000241700000000, -0.0018734700000000 ] - [ 0.0010484400000000, -0.0005334400000000, -0.0010056500000000 ] - [ -0.0000170400000000, -0.0000072000000000, -0.0013925200000000 ] - [ 0.0001137100000000, -0.0000337200000000, -0.0017369100000000 ] - [ -0.0011853100000000, 0.0001736700000000, -0.0021849100000000 ] - [ 0.0000059400000000, -0.0000420900000000, -0.0014299200000000 ] - [ 0.0000910000000000, 0.0000031200000000, -0.0019197500000000 ] - [ -0.0002219200000000, 0.0000462300000000, -0.0021945100000000 ] - [ -0.0000004300000000, -0.0000131700000000, -0.0021188500000000 ] - [ 0.0000887200000000, -0.0000021900000000, -0.0015009100000000 ] - [ -0.0000421400000000, 0.0000435500000000, -0.0014946300000000 ] - [ -0.0000058300000000, 0.0000111400000000, -0.0021056000000000 ] - [ -0.0001931100000000, -0.0000010600000000, -0.0018054200000000 ] - [ -0.0000416500000000, 0.0001601900000000, -0.0010047700000000 ] - [ 0.0005110800000000, 0.0000025600000000, -0.0013269500000000 ] - [ 0.0000549700000000, 0.0000015700000000, -0.0017009000000000 ] - [ -0.0006767700000000, 0.0000067500000000, -0.0000613200000000 ] - [ -0.0001177900000000, 0.0002720300000000, -0.0011196300000000 ] - [ -0.0001090500000000, -0.0001404300000000, -0.0009392800000000 ] - [ -0.0004252500000000, -0.0000613600000000, -0.0011122900000000 ] - [ -0.0001192700000000, -0.0002705600000000, -0.0011029700000000 ] - [ -0.0004410700000000, -0.0000067500000000, 0.0000350600000000 ] - [ 0.0005851800000000, 0.0000404400000000, -0.0016130700000000 ] - [ -0.0015514000000000, 0.0009006900000000, -0.0027667000000000 ] - [ 0.0004348800000000, -0.0002124300000000, 0.0001721600000000 ] - [ -0.0029693200000000, 0.0006380200000000, 0.0024464900000000 ] - [ -0.0011305000000000, -0.0006779700000000, 0.0081201800000000 ] - [ 0.0033703100000000, -0.0004146500000000, 0.0035365200000000 ] - [ -0.0003721900000000, 0.0005787400000000, 0.0019728100000000 ] - [ -0.0018455800000000, -0.0007282100000000, 0.0015922700000000 ] - [ -0.0031178700000000, 0.0016178400000000, 0.0070925700000000 ] - [ 0.0005357600000000, -0.0006030200000000, 0.0029502700000000 ] - [ -0.0016839300000000, 0.0001667700000000, 0.0034145800000000 ] - [ -0.0007052000000000, 0.0000484600000000, -0.0001994800000000 ] - [ -0.0020299600000000, 0.0006929200000000, 0.0013221300000000 ] - [ 0.0012230300000000, 0.0005783800000000, 0.0020168400000000 ] - [ -0.0010854800000000, -0.0000623800000000, 0.0034598800000000 ] - [ 0.0000386800000000, 0.0000153400000000, -0.0013178000000000 ] - [ -0.0003022500000000, -0.0000269800000000, -0.0001719000000000 ] - [ 0.0002224600000000, -0.0004028700000000, 0.0023059800000000 ] - [ -0.0000176600000000, -0.0000377200000000, -0.0012148900000000 ] - [ -0.0015197200000000, -0.0001253300000000, -0.0031087200000000 ] - [ -0.0001041600000000, -0.0000077900000000, -0.0016242200000000 ] - [ -0.0004622900000000, -0.0000524500000000, -0.0020255400000000 ] - [ 0.0005569400000000, 0.0003801800000000, -0.0004014000000000 ] - [ -0.0000406400000000, -0.0000434200000000, -0.0014982800000000 ] - [ 0.0002093600000000, 0.0000027000000000, -0.0017655000000000 ] - [ 0.0004752300000000, 0.0000262900000000, -0.0020100600000000 ] - [ -0.0001834400000000, -0.0000177400000000, -0.0021239600000000 ] - [ 0.0001308700000000, -0.0000013200000000, -0.0013695600000000 ] - [ 0.0000043700000000, 0.0000425000000000, -0.0014275300000000 ] - [ -0.0001877600000000, 0.0000156200000000, -0.0021072300000000 ] - [ -0.0001993100000000, -0.0000010600000000, -0.0018179300000000 ] - [ 0.0002015400000000, 0.0001995100000000, -0.0017189600000000 ] - [ 0.0004745100000000, 0.0000039900000000, -0.0015019600000000 ] - [ 0.0000693400000000, 0.0000013400000000, -0.0017078700000000 ] - [ 0.0008816100000000, -0.0002804800000000, -0.0021562800000000 ] - [ 0.0000240800000000, 0.0002467500000000, -0.0011221800000000 ] - [ 0.0001482500000000, -0.0001811400000000, -0.0016141700000000 ] - [ 0.0004675600000000, -0.0000268900000000, -0.0009318200000000 ] - [ 0.0000194400000000, -0.0002456200000000, -0.0011087000000000 ] - [ 0.0014705200000000, 0.0001013700000000, -0.0018319200000000 ] - [ -0.0002581600000000, 0.0000870000000000, -0.0020258300000000 ] - [ 0.0007736300000000, 0.0002989600000000, -0.0003954600000000 ] - [ -0.0011478800000000, -0.0007346500000000, -0.0017336500000000 ]- atom: 65 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0003254700000000, 0.0000000000000000, 0.0006658600000000 ] - [ 0.0005246100000000, 0.0000000000000000, 0.0008117300000000 ] - [ -0.0006726300000000, 0.0004065300000000, 0.0006103200000000 ] - [ -0.0066423300000000, 0.0000000000000000, 0.0019042800000000 ] - [ 0.0010679400000000, 0.0000572700000000, -0.0006085400000000 ] - [ 0.0356772100000000, -0.0282115500000000, -0.0218104000000000 ] - [ 0.0078926800000000, 0.0000000000000000, -0.0015348900000000 ] - [ 0.0356772100000000, 0.0282115500000000, -0.0218104000000000 ] - [ 0.0015528100000000, 0.0000000000000000, 0.0014647800000000 ] - [ -0.0083614600000000, 0.0000000000000000, 0.0031127400000000 ] - [ -0.0010691100000000, 0.0011405800000000, 0.0018089900000000 ] - [ 0.0001940700000000, 0.0000000000000000, -0.0001520900000000 ] - [ -0.0102395300000000, 0.0000000000000000, -0.0043403700000000 ] - [ -0.0000261400000000, 0.0000000000000000, -0.0006496400000000 ] - [ -0.0010691100000000, -0.0011405800000000, 0.0018089900000000 ] - [ -0.0023719000000000, 0.0000000000000000, -0.0003639000000000 ] - [ 0.0001525800000000, 0.0000808800000000, 0.0002726500000000 ] - [ -0.0001829800000000, 0.0000000000000000, 0.0004825200000000 ] - [ -0.0001276700000000, 0.0001234600000000, 0.0006958200000000 ] - [ 0.0002340800000000, 0.0000000000000000, 0.0007525900000000 ] - [ 0.0001525800000000, -0.0000808800000000, 0.0002726500000000 ] - [ -0.0000846800000000, -0.0001138400000000, 0.0005973600000000 ] - [ 0.0001442300000000, 0.0000000000000000, 0.0005944600000000 ] - [ -0.0000740600000000, 0.0000000000000000, 0.0000833400000000 ] - [ -0.0001623100000000, 0.0000000000000000, 0.0003176500000000 ] - [ -0.0007258900000000, 0.0000000000000000, -0.0006883000000000 ] - [ 0.0010679400000000, -0.0000572700000000, -0.0006085400000000 ] - [ -0.0017862100000000, 0.0000000000000000, -0.0022760700000000 ] - [ -0.0006726300000000, -0.0004065300000000, 0.0006103200000000 ] - [ -0.0057375300000000, -0.0000812100000000, -0.0022190400000000 ] - [ -0.0022652800000000, 0.0000000000000000, 0.0004358000000000 ] - [ -0.0057375300000000, 0.0000812100000000, -0.0022190400000000 ] - [ -0.0013782500000000, 0.0000000000000000, -0.0011404600000000 ] - [ 0.0095426300000000, 0.0000000000000000, -0.0067110300000000 ] - [ 0.0010536400000000, -0.0002184300000000, -0.0024169800000000 ] - [ -0.0001369000000000, 0.0000000000000000, 0.0000721500000000 ] - [ 0.0004856400000000, 0.0000000000000000, 0.0020375000000000 ] - [ 0.0000499200000000, 0.0000000000000000, 0.0003847200000000 ] - [ 0.0010536400000000, 0.0002184300000000, -0.0024169800000000 ] - [ 0.0028158900000000, 0.0000000000000000, 0.0001463200000000 ] - [ -0.0000189800000000, 0.0000413000000000, 0.0000764600000000 ] - [ -0.0000621700000000, 0.0000000000000000, 0.0004631900000000 ] - [ -0.0000846800000000, 0.0001138400000000, 0.0005973600000000 ] - [ 0.0001797900000000, 0.0000000000000000, 0.0007467700000000 ] - [ -0.0000189800000000, -0.0000413000000000, 0.0000764600000000 ] - [ -0.0001276700000000, -0.0001234600000000, 0.0006958200000000 ] - [ 0.0002513700000000, 0.0000000000000000, 0.0005330600000000 ] - [ 0.0001326400000000, 0.0000000000000000, 0.0000632800000000 ] - [ 0.0040826000000000, 0.0000000000000000, -0.0018796400000000 ] - [ -0.0001773800000000, 0.0000000000000000, 0.0004377900000000 ] - [ 0.0001144200000000, 0.0000000000000000, 0.0006735000000000 ] - [ 0.0007068900000000, 0.0000000000000000, 0.0000471700000000 ] - [ -0.0043705700000000, 0.0000000000000000, -0.0006225600000000 ] - [ 0.0002500500000000, 0.0000000000000000, -0.0000973400000000 ] - [ 0.0001488000000000, 0.0000000000000000, 0.0006286400000000 ] - [ -0.0006819100000000, 0.0000000000000000, -0.0002550500000000 ] - [ -0.0001712300000000, -0.0001045100000000, -0.0002540200000000 ] - [ 0.0010178600000000, 0.0000000000000000, -0.0022782000000000 ] - [ 0.0001661900000000, -0.0001245100000000, 0.0003461900000000 ] - [ -0.0007179800000000, 0.0000000000000000, -0.0005993300000000 ] - [ -0.0017887700000000, 0.0039553500000000, 0.0082386900000000 ] - [ -0.0004754900000000, 0.0000000000000000, 0.0010535200000000 ] - [ -0.0005174800000000, 0.0000000000000000, -0.0002038800000000 ] - [ -0.0018320800000000, -0.0006374000000000, -0.0007916700000000 ] - [ -0.1130411900000000, 0.0000000000000000, 0.0472768400000000 ] - [ -0.0017887700000000, -0.0039553500000000, 0.0082386900000000 ] - [ 0.0085178800000000, 0.0000000000000000, -0.0236090500000000 ] - [ -0.0018320800000000, 0.0006374000000000, -0.0007916700000000 ] - [ -0.0032552700000000, 0.0000014200000000, 0.0008821100000000 ] - [ -0.0087787000000000, 0.0000000000000000, 0.0006617000000000 ] - [ -0.0021608600000000, 0.0000000000000000, -0.0015857200000000 ] - [ -0.0032552700000000, -0.0000014200000000, 0.0008821100000000 ] - [ 0.0079888500000000, 0.0028807700000000, 0.0002526900000000 ] - [ 0.0009602800000000, 0.0000000000000000, -0.0011313600000000 ] - [ 0.0021701700000000, 0.0000000000000000, -0.0054298200000000 ] - [ 0.0165777400000000, -0.0147598400000000, 0.0070653000000000 ] - [ -0.0000054900000000, -0.0000537700000000, -0.0001637700000000 ] - [ -0.0002117600000000, 0.0000000000000000, 0.0002298100000000 ] - [ 0.0014459300000000, 0.0000000000000000, 0.0025963400000000 ] - [ -0.0007758600000000, -0.0002111800000000, -0.0012300800000000 ] - [ 0.0001231000000000, 0.0000000000000000, 0.0000959600000000 ] - [ -0.0000410300000000, 0.0000428700000000, 0.0002173100000000 ] - [ -0.0007758600000000, 0.0002111800000000, -0.0012300800000000 ] - [ -0.0003514000000000, 0.0000000000000000, -0.0004521000000000 ] - [ 0.0000270800000000, 0.0001627600000000, 0.0000807800000000 ] - [ 0.0003990400000000, 0.0000000000000000, -0.0000182600000000 ] - [ -0.0000817700000000, 0.0000000000000000, -0.0003060800000000 ] - [ 0.0000093000000000, 0.0000000000000000, 0.0002876500000000 ] - [ -0.0000631400000000, 0.0001907200000000, 0.0003317200000000 ] - [ 0.0000270800000000, -0.0001627600000000, 0.0000807800000000 ] - [ 0.0000536100000000, 0.0000000000000000, 0.0004441600000000 ] - [ -0.0000631400000000, -0.0001907200000000, 0.0003317200000000 ] - [ 0.0001035000000000, 0.0000000000000000, 0.0002676400000000 ] - [ 0.0002170100000000, 0.0000000000000000, -0.0001174400000000 ] - [ -0.0001254300000000, 0.0001408100000000, 0.0003914000000000 ] - [ -0.0000446700000000, -0.0001488300000000, 0.0003526500000000 ] - [ 0.0001661900000000, 0.0001245100000000, 0.0003461900000000 ] - [ 0.0002759200000000, 0.0000000000000000, 0.0013493500000000 ] - [ -0.0001712300000000, 0.0001045100000000, -0.0002540200000000 ] - [ 0.0001446600000000, 0.0000000000000000, -0.0008466600000000 ] - [ 0.0024244500000000, 0.0006915500000000, -0.0004961200000000 ] - [ 0.0002638300000000, 0.0000000000000000, -0.0005521000000000 ] - [ 0.0000374300000000, 0.0000000000000000, -0.0002024100000000 ] - [ 0.0007432800000000, 0.0000022100000000, -0.0000263200000000 ] - [ 0.0044290400000000, 0.0000000000000000, -0.0003306000000000 ] - [ 0.0024244500000000, -0.0006915500000000, -0.0004961200000000 ] - [ 0.0021700100000000, 0.0000000000000000, 0.0006656300000000 ] - [ 0.0007432800000000, -0.0000022100000000, -0.0000263200000000 ] - [ 0.0021739500000000, 0.0001400400000000, -0.0007691400000000 ] - [ 0.0057749500000000, 0.0000000000000000, -0.0000961300000000 ] - [ 0.0020744100000000, 0.0000000000000000, 0.0014705600000000 ] - [ 0.0021739500000000, -0.0001400400000000, -0.0007691400000000 ] - [ 0.0165777400000000, 0.0147598400000000, 0.0070653000000000 ] - [ -0.0006719300000000, 0.0000000000000000, 0.0006520100000000 ] - [ 0.0001649200000000, 0.0000000000000000, 0.0032800500000000 ] - [ 0.0079888500000000, -0.0028807700000000, 0.0002526900000000 ] - [ -0.0000410300000000, -0.0000428700000000, 0.0002173100000000 ] - [ 0.0004477600000000, 0.0000000000000000, -0.0008461800000000 ] - [ -0.0004805400000000, 0.0000000000000000, -0.0020242900000000 ] - [ 0.0005722800000000, 0.0000121800000000, 0.0000856000000000 ] - [ 0.0000978200000000, 0.0000000000000000, -0.0000387600000000 ] - [ -0.0000054900000000, 0.0000537700000000, -0.0001637700000000 ] - [ 0.0005722800000000, -0.0000121800000000, 0.0000856000000000 ] - [ -0.0000204700000000, 0.0000000000000000, -0.0002147700000000 ] - [ 0.0000135200000000, 0.0001613800000000, 0.0000761200000000 ] - [ 0.0004268600000000, 0.0000000000000000, 0.0000654100000000 ] - [ 0.0002101900000000, 0.0000000000000000, -0.0001993600000000 ] - [ -0.0000810600000000, 0.0000000000000000, 0.0001489600000000 ] - [ 0.0000458100000000, 0.0001908300000000, 0.0003334200000000 ] - [ 0.0000135200000000, -0.0001613800000000, 0.0000761200000000 ] - [ 0.0000808800000000, 0.0000000000000000, 0.0004131800000000 ] - [ 0.0000458100000000, -0.0001908300000000, 0.0003334200000000 ] - [ 0.0000633800000000, 0.0000000000000000, 0.0002011400000000 ] - [ 0.0001857000000000, 0.0000000000000000, -0.0000849100000000 ] - [ -0.0000446700000000, 0.0001488300000000, 0.0003526500000000 ] - [ -0.0001254300000000, -0.0001408100000000, 0.0003914000000000 ]- atom: 65 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0000342700000000, 0.0000000000000000, -0.0000792900000000 ] - [ -0.0006428000000000, 0.0000000000000000, -0.0015911600000000 ] - [ 0.0008326000000000, -0.0003268200000000, -0.0006825300000000 ] - [ 0.0064226800000000, 0.0000000000000000, -0.0026079400000000 ] - [ -0.0009053600000000, -0.0001353200000000, 0.0005255800000000 ] - [ -0.0357638500000000, 0.0274154800000000, 0.0213533400000000 ] - [ -0.0080682800000000, 0.0000000000000000, 0.0016472000000000 ] - [ -0.0357638500000000, -0.0274154800000000, 0.0213533400000000 ] - [ -0.0017364500000000, 0.0000000000000000, -0.0013495300000000 ] - [ 0.0083823500000000, 0.0000000000000000, -0.0031716100000000 ] - [ 0.0012640000000000, -0.0012928500000000, -0.0025559100000000 ] - [ -0.0001004800000000, 0.0000000000000000, -0.0002693900000000 ] - [ 0.0108371400000000, 0.0000000000000000, 0.0041087000000000 ] - [ 0.0000855300000000, 0.0000000000000000, -0.0000147800000000 ] - [ 0.0012640000000000, 0.0012928500000000, -0.0025559100000000 ] - [ 0.0030832300000000, 0.0000000000000000, 0.0000281300000000 ] - [ -0.0000359000000000, 0.0000034400000000, -0.0002695700000000 ] - [ -0.0000597800000000, 0.0000000000000000, 0.0001018700000000 ] - [ -0.0000892000000000, 0.0001111100000000, 0.0002492500000000 ] - [ 0.0001798700000000, 0.0000000000000000, 0.0003358200000000 ] - [ -0.0000359000000000, -0.0000034400000000, -0.0002695700000000 ] - [ -0.0001326900000000, -0.0001207300000000, 0.0003473800000000 ] - [ 0.0002500300000000, 0.0000000000000000, 0.0001615700000000 ] - [ 0.0001379700000000, 0.0000000000000000, -0.0003394000000000 ] - [ 0.0004486600000000, 0.0000000000000000, 0.0002687500000000 ] - [ 0.0005934800000000, 0.0000000000000000, -0.0000921500000000 ] - [ -0.0009053600000000, 0.0001353200000000, 0.0005255800000000 ] - [ 0.0015167800000000, 0.0000000000000000, 0.0015625300000000 ] - [ 0.0008326000000000, 0.0003268200000000, -0.0006825300000000 ] - [ 0.0056988800000000, 0.0000902300000000, 0.0022633800000000 ] - [ 0.0020642700000000, 0.0000000000000000, -0.0002625300000000 ] - [ 0.0056988800000000, -0.0000902300000000, 0.0022633800000000 ] - [ 0.0011676400000000, 0.0000000000000000, 0.0012678500000000 ] - [ -0.0094724500000000, 0.0000000000000000, 0.0066587600000000 ] - [ -0.0008436800000000, 0.0000681400000000, 0.0016725200000000 ] - [ 0.0002303600000000, 0.0000000000000000, -0.0004942500000000 ] - [ 0.0000792700000000, 0.0000000000000000, -0.0022412800000000 ] - [ 0.0000057100000000, 0.0000000000000000, -0.0010491100000000 ] - [ -0.0008436800000000, -0.0000681400000000, 0.0016725200000000 ] - [ -0.0021160700000000, 0.0000000000000000, -0.0004706500000000 ] - [ 0.0001364100000000, 0.0000429500000000, -0.0000735700000000 ] - [ -0.0001800300000000, 0.0000000000000000, 0.0001206700000000 ] - [ -0.0001326900000000, 0.0001207300000000, 0.0003473800000000 ] - [ 0.0002344600000000, 0.0000000000000000, 0.0003415600000000 ] - [ 0.0001364100000000, -0.0000429500000000, -0.0000735700000000 ] - [ -0.0000892000000000, -0.0001111100000000, 0.0002492500000000 ] - [ 0.0001429100000000, 0.0000000000000000, 0.0002231600000000 ] - [ -0.0000677100000000, 0.0000000000000000, -0.0003209700000000 ] - [ -0.0042236200000000, 0.0000000000000000, 0.0009491100000000 ] - [ 0.0002349000000000, 0.0000000000000000, -0.0004084300000000 ] - [ 0.0001493100000000, 0.0000000000000000, 0.0003479900000000 ] - [ -0.0007310500000000, 0.0000000000000000, -0.0005699600000000 ] - [ 0.0041965300000000, 0.0000000000000000, 0.0001900700000000 ] - [ -0.0001921100000000, 0.0000000000000000, 0.0001285900000000 ] - [ 0.0001151800000000, 0.0000000000000000, 0.0003928500000000 ] - [ 0.0006606200000000, 0.0000000000000000, -0.0002714900000000 ] - [ 0.0001541400000000, 0.0001788700000000, 0.0004725700000000 ] - [ -0.0012207700000000, 0.0000000000000000, 0.0017502100000000 ] - [ -0.0001785800000000, 0.0000495400000000, -0.0001243900000000 ] - [ 0.0000305900000000, 0.0000000000000000, -0.0004188200000000 ] - [ 0.0015781400000000, -0.0041541900000000, -0.0088764100000000 ] - [ 0.0000914600000000, 0.0000000000000000, -0.0010230000000000 ] - [ 0.0000772400000000, 0.0000000000000000, 0.0000804600000000 ] - [ 0.0016545500000000, 0.0006505700000000, 0.0004657600000000 ] - [ 0.1116786700000000, 0.0000000000000000, -0.0465122200000000 ] - [ 0.0015781400000000, 0.0041541900000000, -0.0088764100000000 ] - [ -0.0086791200000000, 0.0000000000000000, 0.0228793700000000 ] - [ 0.0016545500000000, -0.0006505700000000, 0.0004657600000000 ] - [ 0.0031996200000000, 0.0000797400000000, -0.0010033000000000 ] - [ 0.0091913400000000, 0.0000000000000000, -0.0008531800000000 ] - [ 0.0027212100000000, 0.0000000000000000, 0.0018013100000000 ] - [ 0.0031996200000000, -0.0000797400000000, -0.0010033000000000 ] - [ -0.0081654400000000, -0.0032304400000000, -0.0002117300000000 ] - [ -0.0010652300000000, 0.0000000000000000, 0.0012652500000000 ] - [ -0.0025428300000000, 0.0000000000000000, 0.0047788500000000 ] - [ -0.0164275800000000, 0.0147792700000000, -0.0069312100000000 ] - [ -0.0000359700000000, -0.0000336800000000, 0.0004685000000000 ] - [ 0.0004744100000000, 0.0000000000000000, -0.0007145800000000 ] - [ -0.0011093000000000, 0.0000000000000000, -0.0030285200000000 ] - [ 0.0006005700000000, 0.0001503400000000, 0.0002168600000000 ] - [ 0.0000951700000000, 0.0000000000000000, 0.0002176700000000 ] - [ -0.0000016300000000, 0.0000448900000000, 0.0000868200000000 ] - [ 0.0006005700000000, -0.0001503400000000, 0.0002168600000000 ] - [ -0.0000352700000000, 0.0000000000000000, 0.0000579700000000 ] - [ 0.0000138800000000, 0.0001629000000000, 0.0003249400000000 ] - [ 0.0004150000000000, 0.0000000000000000, 0.0003121600000000 ] - [ 0.0002102000000000, 0.0000000000000000, 0.0000382500000000 ] - [ -0.0000972600000000, 0.0000000000000000, 0.0004604300000000 ] - [ 0.0000518900000000, 0.0001817300000000, 0.0005815000000000 ] - [ 0.0000138800000000, -0.0001629000000000, 0.0003249400000000 ] - [ 0.0000798000000000, 0.0000000000000000, 0.0006655600000000 ] - [ 0.0000518900000000, -0.0001817300000000, 0.0005815000000000 ] - [ 0.0000101300000000, 0.0000000000000000, 0.0004108800000000 ] - [ 0.0001865300000000, 0.0000000000000000, 0.0002000700000000 ] - [ -0.0000128600000000, 0.0001067800000000, 0.0005754300000000 ] - [ -0.0000936100000000, -0.0000988700000000, 0.0006135200000000 ] - [ -0.0001785800000000, -0.0000495400000000, -0.0001243900000000 ] - [ -0.0004730900000000, 0.0000000000000000, -0.0018562700000000 ] - [ 0.0001541400000000, -0.0001788700000000, 0.0004725700000000 ] - [ -0.0008287800000000, 0.0000000000000000, -0.0001749400000000 ] - [ -0.0026877700000000, -0.0009173900000000, -0.0001826200000000 ] - [ -0.0006555600000000, 0.0000000000000000, 0.0005715600000000 ] - [ -0.0004761500000000, 0.0000000000000000, 0.0000756400000000 ] - [ -0.0009090600000000, 0.0000145100000000, -0.0003055500000000 ] - [ -0.0053321200000000, 0.0000000000000000, -0.0004309200000000 ] - [ -0.0026877700000000, 0.0009173900000000, -0.0001826200000000 ] - [ -0.0023166800000000, 0.0000000000000000, -0.0011390500000000 ] - [ -0.0009090600000000, -0.0000145100000000, -0.0003055500000000 ] - [ -0.0022230100000000, -0.0000548300000000, 0.0006585800000000 ] - [ -0.0053776800000000, 0.0000000000000000, -0.0000778200000000 ] - [ -0.0014885900000000, 0.0000000000000000, -0.0012694600000000 ] - [ -0.0022230100000000, 0.0000548300000000, 0.0006585800000000 ] - [ -0.0164275800000000, -0.0147792700000000, -0.0069312100000000 ] - [ 0.0005635300000000, 0.0000000000000000, -0.0005258400000000 ] - [ -0.0005342500000000, 0.0000000000000000, -0.0039432500000000 ] - [ -0.0081654400000000, 0.0032304400000000, -0.0002117300000000 ] - [ -0.0000016300000000, -0.0000448900000000, 0.0000868200000000 ] - [ -0.0001807000000000, 0.0000000000000000, 0.0003646300000000 ] - [ 0.0008293300000000, 0.0000000000000000, 0.0015878000000000 ] - [ -0.0007516400000000, -0.0000734200000000, -0.0010967300000000 ] - [ 0.0001208500000000, 0.0000000000000000, 0.0003527400000000 ] - [ -0.0000359700000000, 0.0000336800000000, 0.0004685000000000 ] - [ -0.0007516400000000, 0.0000734200000000, -0.0010967300000000 ] - [ -0.0003662600000000, 0.0000000000000000, -0.0001789000000000 ] - [ 0.0000271600000000, 0.0001642900000000, 0.0003295500000000 ] - [ 0.0003868200000000, 0.0000000000000000, 0.0002286100000000 ] - [ -0.0000820800000000, 0.0000000000000000, -0.0000680000000000 ] - [ -0.0000077700000000, 0.0000000000000000, 0.0005987300000000 ] - [ -0.0000571600000000, 0.0001816100000000, 0.0005800400000000 ] - [ 0.0000271600000000, -0.0001642900000000, 0.0003295500000000 ] - [ 0.0000522700000000, 0.0000000000000000, 0.0006964300000000 ] - [ -0.0000571600000000, -0.0001816100000000, 0.0005800400000000 ] - [ 0.0000495600000000, 0.0000000000000000, 0.0004774800000000 ] - [ 0.0002178900000000, 0.0000000000000000, 0.0001675200000000 ] - [ -0.0000936100000000, 0.0000988700000000, 0.0006135200000000 ] - [ -0.0000128600000000, -0.0001067800000000, 0.0005754300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001440400000000, -0.0000873300000000, 0.0002951800000000 ] - [ -0.0000646300000000, 0.0003919100000000, -0.0003936400000000 ] - [ 0.0001016500000000, 0.0000388400000000, -0.0000404600000000 ] - [ -0.0000837200000000, 0.0001413700000000, -0.0003577100000000 ] - [ -0.0001674200000000, -0.0000339600000000, -0.0005303000000000 ] - [ -0.0278037500000000, 0.0651420500000000, 0.0314907800000000 ] - [ -0.0001254800000000, 0.0065859300000000, 0.0000607300000000 ] - [ 0.0298992400000000, 0.0686774300000000, -0.0341153600000000 ] - [ -0.0001013200000000, -0.0006792800000000, 0.0000668700000000 ] - [ -0.0000160700000000, 0.0029387900000000, -0.0000259900000000 ] - [ 0.0001772800000000, -0.0000572900000000, -0.0005929100000000 ] - [ 0.0000465500000000, -0.0000093500000000, -0.0002098500000000 ] - [ 0.0003354700000000, 0.0103129800000000, -0.0001048400000000 ] - [ 0.0000276000000000, -0.0000427200000000, -0.0003304600000000 ] - [ 0.0000198100000000, 0.0000741500000000, -0.0001482900000000 ] - [ 0.0003547200000000, 0.0001532700000000, -0.0001655500000000 ] - [ 0.0000653600000000, 0.0000425500000000, 0.0000105500000000 ] - [ -0.0001212500000000, 0.0000026000000000, 0.0002932400000000 ] - [ -0.0001066200000000, 0.0001177300000000, 0.0004773100000000 ] - [ 0.0002069400000000, -0.0000015000000000, 0.0005454200000000 ] - [ 0.0000516500000000, -0.0000420000000000, -0.0000053700000000 ] - [ -0.0001104600000000, -0.0001168700000000, 0.0004702600000000 ] - [ 0.0001971200000000, 0.0000009300000000, 0.0003790100000000 ] - [ 0.0000324500000000, -0.0000007800000000, -0.0001270700000000 ] - [ 0.0001454800000000, -0.0000451900000000, 0.0002959200000000 ] - [ -0.0000603300000000, 0.0000517000000000, -0.0003883300000000 ] - [ 0.0003218400000000, 0.0000451600000000, 0.0004609900000000 ] - [ -0.0001098100000000, -0.0075359200000000, -0.0003474800000000 ] - [ 0.0000621500000000, -0.0000351700000000, -0.0000359800000000 ] - [ 0.0009538800000000, 0.0000547400000000, 0.0010630200000000 ] - [ -0.0000966900000000, -0.0001725700000000, 0.0000824600000000 ] - [ -0.0009839000000000, 0.0000467200000000, -0.0010343000000000 ] - [ -0.0000951800000000, 0.0004695300000000, 0.0000621700000000 ] - [ -0.0000591900000000, -0.0111301600000000, -0.0000405300000000 ] - [ 0.0012549900000000, 0.0000273900000000, 0.0006695100000000 ] - [ 0.0000466500000000, -0.0000109000000000, -0.0002098400000000 ] - [ 0.0003744400000000, -0.0095146000000000, -0.0001322300000000 ] - [ 0.0000280600000000, -0.0001295300000000, -0.0003310400000000 ] - [ -0.0010627500000000, 0.0001754300000000, -0.0014067400000000 ] - [ 0.0003518600000000, -0.0021787300000000, -0.0001720500000000 ] - [ 0.0000638200000000, 0.0000423800000000, 0.0000073900000000 ] - [ -0.0001216300000000, 0.0000024400000000, 0.0002932700000000 ] - [ -0.0001068600000000, 0.0001175200000000, 0.0004774200000000 ] - [ 0.0002069400000000, -0.0000003800000000, 0.0005453900000000 ] - [ 0.0000528300000000, -0.0000422400000000, -0.0000019400000000 ] - [ -0.0001105200000000, -0.0001165800000000, 0.0004697700000000 ] - [ 0.0001970100000000, 0.0000016800000000, 0.0003790700000000 ] - [ 0.0000318300000000, -0.0000047300000000, -0.0001268700000000 ] - [ -0.0000853700000000, 0.0049001700000000, -0.0005895600000000 ] - [ 0.0000290200000000, 0.0000091700000000, 0.0000166500000000 ] - [ 0.0001319000000000, -0.0000039200000000, 0.0005115300000000 ] - [ -0.0000106600000000, 0.0001957700000000, -0.0002606800000000 ] - [ -0.0000827900000000, -0.0011336000000000, -0.0002130900000000 ] - [ 0.0000287700000000, 0.0000165900000000, 0.0000160900000000 ] - [ 0.0001318000000000, -0.0000034100000000, 0.0005116800000000 ] - [ -0.0000106100000000, 0.0000020500000000, -0.0002612900000000 ] - [ -0.0000859700000000, 0.0000621400000000, 0.0001940300000000 ] - [ -0.0001072700000000, 0.0000108500000000, -0.0002511700000000 ] - [ -0.0000700800000000, -0.0000047300000000, 0.0000115400000000 ] - [ -0.0003415300000000, 0.0000673000000000, -0.0005097800000000 ] - [ 0.0055762400000000, 0.0074131700000000, 0.0145562300000000 ] - [ -0.0001948200000000, -0.0011867300000000, 0.0000073400000000 ] - [ -0.0002190300000000, -0.0000697800000000, -0.0000635100000000 ] - [ -0.0008287900000000, -0.0002883100000000, 0.0005888000000000 ] - [ -0.0026751300000000, -0.1994930200000000, 0.0026634900000000 ] - [ -0.0058631300000000, 0.0076056400000000, -0.0153530800000000 ] - [ -0.0001526000000000, -0.0066013500000000, -0.0001262200000000 ] - [ 0.0006699200000000, -0.0003123000000000, -0.0009132000000000 ] - [ 0.0008823400000000, 0.0016635900000000, 0.0033909300000000 ] - [ 0.0002136300000000, 0.0406387400000000, -0.0000538900000000 ] - [ 0.0003025900000000, 0.0037446500000000, 0.0000844800000000 ] - [ -0.0009126800000000, 0.0016003400000000, -0.0034829700000000 ] - [ 0.0048169500000000, 0.0007709700000000, -0.0001035100000000 ] - [ -0.0000499600000000, -0.0000602600000000, 0.0000612500000000 ] - [ -0.0001706100000000, -0.0016713600000000, -0.0003567700000000 ] - [ -0.0187608300000000, 0.0069178100000000, -0.0049013100000000 ] - [ -0.0000339100000000, -0.0000393600000000, 0.0001738500000000 ] - [ 0.0001331800000000, -0.0003022300000000, -0.0002411500000000 ] - [ 0.0001694900000000, -0.0012846100000000, -0.0002200400000000 ] - [ -0.0003223200000000, 0.0000168500000000, -0.0003174900000000 ] - [ 0.0001091900000000, 0.0000041500000000, 0.0001564200000000 ] - [ -0.0000270600000000, 0.0000481100000000, 0.0001297100000000 ] - [ 0.0001439600000000, 0.0000816800000000, -0.0006964300000000 ] - [ -0.0001934600000000, 0.0000142500000000, -0.0001980200000000 ] - [ 0.0000197400000000, 0.0001630300000000, 0.0002036100000000 ] - [ 0.0004068100000000, -0.0000013700000000, 0.0001463500000000 ] - [ 0.0000639800000000, -0.0000054800000000, -0.0001343600000000 ] - [ -0.0000445100000000, 0.0000106300000000, 0.0003731900000000 ] - [ -0.0000062600000000, 0.0001865200000000, 0.0004579100000000 ] - [ 0.0000204300000000, -0.0001626200000000, 0.0002007700000000 ] - [ 0.0000668300000000, 0.0000005600000000, 0.0005542400000000 ] - [ -0.0000052000000000, -0.0001859100000000, 0.0004542300000000 ] - [ 0.0000566900000000, -0.0000043300000000, 0.0003392800000000 ] - [ 0.0002016700000000, -0.0000005400000000, 0.0000407700000000 ] - [ -0.0000700800000000, 0.0001231900000000, 0.0004877700000000 ] - [ -0.0000662400000000, -0.0001245500000000, 0.0004793700000000 ] - [ 0.0000532800000000, 0.0000684300000000, 0.0002060400000000 ] - [ -0.0001029200000000, 0.0013984200000000, -0.0002646100000000 ] - [ 0.0000713600000000, -0.0000131100000000, 0.0000266600000000 ] - [ -0.0003443700000000, -0.0000094600000000, -0.0005088300000000 ] - [ 0.0000476500000000, -0.0000583200000000, -0.0006447800000000 ] - [ -0.0001942300000000, 0.0000407200000000, 0.0000103800000000 ] - [ -0.0002201800000000, 0.0000117600000000, -0.0000633900000000 ] - [ -0.0000664500000000, 0.0000221100000000, -0.0002157500000000 ] - [ -0.0004538700000000, 0.0019550900000000, -0.0003755400000000 ] - [ -0.0003227100000000, 0.0001757600000000, -0.0000282900000000 ] - [ -0.0000855200000000, 0.0009613200000000, -0.0002306300000000 ] - [ -0.0001064500000000, 0.0000072600000000, -0.0001119600000000 ] - [ 0.0000702100000000, -0.0000860900000000, -0.0004992000000000 ] - [ 0.0001958300000000, -0.0017763000000000, -0.0000865300000000 ] - [ 0.0002883100000000, -0.0007611800000000, 0.0001059300000000 ] - [ -0.0001184600000000, -0.0001735200000000, 0.0003852300000000 ] - [ 0.0188066900000000, 0.0065433000000000, 0.0049516200000000 ] - [ -0.0000512400000000, 0.0008795600000000, 0.0000643500000000 ] - [ -0.0001823200000000, 0.0018054100000000, -0.0003457200000000 ] - [ -0.0049641800000000, 0.0010422700000000, 0.0001429300000000 ] - [ -0.0000152300000000, -0.0000399200000000, 0.0001728100000000 ] - [ 0.0001313700000000, 0.0000630100000000, -0.0002403900000000 ] - [ 0.0001647400000000, 0.0008736600000000, -0.0002082700000000 ] - [ -0.0000191300000000, -0.0000235400000000, -0.0004638900000000 ] - [ 0.0001091200000000, 0.0000033500000000, 0.0001565400000000 ] - [ -0.0000084100000000, 0.0000486000000000, 0.0001286300000000 ] - [ -0.0001581600000000, 0.0000385700000000, -0.0005520900000000 ] - [ -0.0001929400000000, 0.0000064800000000, -0.0001984200000000 ] - [ 0.0000198700000000, 0.0001627000000000, 0.0002035800000000 ] - [ 0.0004068400000000, -0.0000015000000000, 0.0001464300000000 ] - [ 0.0000640000000000, -0.0000017000000000, -0.0001345400000000 ] - [ -0.0000441900000000, 0.0000072900000000, 0.0003734900000000 ] - [ -0.0000072000000000, 0.0001865800000000, 0.0004582700000000 ] - [ 0.0000205200000000, -0.0001625800000000, 0.0002009800000000 ] - [ 0.0000667700000000, 0.0000006600000000, 0.0005542700000000 ] - [ -0.0000043300000000, -0.0001858200000000, 0.0004539100000000 ] - [ 0.0000568200000000, -0.0000028900000000, 0.0003393400000000 ] - [ 0.0002016900000000, -0.0000005900000000, 0.0000406000000000 ] - [ -0.0000725500000000, 0.0001233900000000, 0.0004874700000000 ] - [ -0.0000683300000000, -0.0001248000000000, 0.0004788200000000 ]- atom: 65 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0005784300000000, 0.0000000000000000, -0.0023156900000000 ] - [ 0.0007382500000000, 0.0000000000000000, -0.0035593300000000 ] - [ 0.0007991300000000, -0.0005076600000000, -0.0013595100000000 ] - [ 0.0086406200000000, 0.0000000000000000, 0.0016422700000000 ] - [ -0.0002777100000000, 0.0003010600000000, -0.0031765200000000 ] - [ -0.0144011400000000, 0.0259314900000000, 0.0469938500000000 ] - [ -0.0019253500000000, 0.0000000000000000, -0.0116317700000000 ] - [ -0.0144011400000000, -0.0259314900000000, 0.0469938500000000 ] - [ 0.0029597900000000, 0.0000000000000000, -0.0014836200000000 ] - [ 0.0042145000000000, 0.0000000000000000, 0.0045383600000000 ] - [ 0.0021070600000000, -0.0017131700000000, -0.0020603000000000 ] - [ 0.0002169700000000, 0.0000000000000000, -0.0024126500000000 ] - [ -0.0051595900000000, 0.0000000000000000, 0.0044341000000000 ] - [ -0.0005532500000000, 0.0000000000000000, -0.0029050900000000 ] - [ 0.0021070600000000, 0.0017131700000000, -0.0020603000000000 ] - [ 0.0000736300000000, 0.0000000000000000, -0.0004307700000000 ] - [ 0.0000481300000000, -0.0001512400000000, -0.0021883900000000 ] - [ -0.0001416400000000, 0.0000000000000000, -0.0018203500000000 ] - [ -0.0000334800000000, 0.0001196400000000, -0.0016942100000000 ] - [ 0.0002083400000000, 0.0000000000000000, -0.0020078900000000 ] - [ 0.0000481300000000, 0.0001512400000000, -0.0021883900000000 ] - [ -0.0001833500000000, -0.0001138400000000, -0.0017062200000000 ] - [ 0.0002217700000000, 0.0000000000000000, -0.0018782700000000 ] - [ 0.0000118400000000, 0.0000000000000000, -0.0023487400000000 ] - [ -0.0002493700000000, 0.0000000000000000, -0.0019514100000000 ] - [ -0.0017464100000000, 0.0000000000000000, -0.0018205200000000 ] - [ -0.0002777100000000, -0.0003010600000000, -0.0031765200000000 ] - [ -0.0075183900000000, 0.0000000000000000, 0.0013126400000000 ] - [ 0.0007991300000000, 0.0005076600000000, -0.0013595100000000 ] - [ -0.0001467300000000, 0.0001381600000000, 0.0079859300000000 ] - [ 0.0000297100000000, 0.0000000000000000, 0.0017046600000000 ] - [ -0.0001467300000000, -0.0001381600000000, 0.0079859300000000 ] - [ -0.0024569000000000, 0.0000000000000000, 0.0009169300000000 ] - [ -0.0025607800000000, 0.0000000000000000, 0.0041387400000000 ] - [ -0.0032110400000000, -0.0005380700000000, -0.0024394500000000 ] - [ 0.0003080500000000, 0.0000000000000000, -0.0022774300000000 ] - [ 0.0036781500000000, 0.0000000000000000, 0.0062237400000000 ] - [ 0.0006087700000000, 0.0000000000000000, -0.0031260600000000 ] - [ -0.0032110400000000, 0.0005380700000000, -0.0024394500000000 ] - [ 0.0031808100000000, 0.0000000000000000, -0.0036896700000000 ] - [ -0.0001443800000000, -0.0001370500000000, -0.0020767900000000 ] - [ -0.0001006300000000, 0.0000000000000000, -0.0019507500000000 ] - [ -0.0001833500000000, 0.0001138400000000, -0.0017062200000000 ] - [ 0.0002096800000000, 0.0000000000000000, -0.0019834600000000 ] - [ -0.0001443800000000, 0.0001370500000000, -0.0020767900000000 ] - [ -0.0000334800000000, -0.0001196400000000, -0.0016942100000000 ] - [ 0.0001693900000000, 0.0000000000000000, -0.0019373500000000 ] - [ 0.0000657100000000, 0.0000000000000000, -0.0028573300000000 ] - [ -0.0029034800000000, 0.0000000000000000, 0.1220942700000000 ] - [ 0.0001300800000000, 0.0000000000000000, -0.0015210100000000 ] - [ 0.0001351200000000, 0.0000000000000000, -0.0011995000000000 ] - [ 0.0001447400000000, 0.0000000000000000, -0.0026713400000000 ] - [ -0.0009387100000000, 0.0000000000000000, 0.0017272700000000 ] - [ -0.0000678400000000, 0.0000000000000000, -0.0019476400000000 ] - [ 0.0001275900000000, 0.0000000000000000, -0.0012362600000000 ] - [ -0.0001666500000000, 0.0000000000000000, -0.0015044900000000 ] - [ -0.0003127900000000, 0.0004284100000000, 0.0014437800000000 ] - [ -0.0022607900000000, 0.0000000000000000, 0.0020682000000000 ] - [ 0.0006988000000000, -0.0004123300000000, 0.0016164800000000 ] - [ -0.0007144400000000, 0.0000000000000000, 0.0012784100000000 ] - [ 0.0085005000000000, 0.0144816000000000, 0.0135016900000000 ] - [ 0.0011624100000000, 0.0000000000000000, 0.0019041200000000 ] - [ -0.0001392400000000, 0.0000000000000000, 0.0021161100000000 ] - [ -0.0005517500000000, 0.0003312300000000, 0.0024113900000000 ] - [ 0.0296005500000000, 0.0000000000000000, -0.2449562600000000 ] - [ 0.0085005000000000, -0.0144816000000000, 0.0135016900000000 ] - [ -0.0266043100000000, 0.0000000000000000, 0.0224604600000000 ] - [ -0.0005517500000000, -0.0003312300000000, 0.0024113900000000 ] - [ 0.0026087400000000, 0.0035993900000000, 0.0037494400000000 ] - [ 0.0001697400000000, 0.0000000000000000, -0.0104392400000000 ] - [ -0.0016056100000000, 0.0000000000000000, -0.0045294300000000 ] - [ 0.0026087400000000, -0.0035993900000000, 0.0037494400000000 ] - [ -0.0024891100000000, -0.0009838100000000, -0.0050567500000000 ] - [ -0.0011146100000000, 0.0000000000000000, 0.0014042100000000 ] - [ -0.0056614400000000, 0.0000000000000000, 0.0029455000000000 ] - [ 0.0079761400000000, -0.0041278700000000, -0.0077147700000000 ] - [ -0.0001510100000000, -0.0000320500000000, 0.0016824400000000 ] - [ 0.0009482000000000, 0.0000000000000000, 0.0016280200000000 ] - [ 0.0017574400000000, 0.0000000000000000, -0.0005579500000000 ] - [ -0.0007027500000000, 0.0002008600000000, 0.0013171100000000 ] - [ 0.0001511700000000, 0.0000000000000000, 0.0017328400000000 ] - [ 0.0001225900000000, 0.0000257900000000, 0.0017960000000000 ] - [ -0.0007027500000000, -0.0002008600000000, 0.0013171100000000 ] - [ -0.0002668600000000, 0.0000000000000000, 0.0015217400000000 ] - [ 0.0000329000000000, 0.0001704400000000, 0.0017323200000000 ] - [ 0.0002930000000000, 0.0000000000000000, 0.0016813500000000 ] - [ 0.0000361200000000, 0.0000000000000000, 0.0014873100000000 ] - [ 0.0000248900000000, 0.0000000000000000, 0.0022776300000000 ] - [ 0.0000446800000000, 0.0001167100000000, 0.0020227100000000 ] - [ 0.0000329000000000, -0.0001704400000000, 0.0017323200000000 ] - [ 0.0000865700000000, 0.0000000000000000, 0.0021149700000000 ] - [ 0.0000446800000000, -0.0001167100000000, 0.0020227100000000 ] - [ -0.0001960200000000, 0.0000000000000000, 0.0016415400000000 ] - [ 0.0001748700000000, 0.0000000000000000, 0.0017732400000000 ] - [ 0.0001368500000000, -0.0001777500000000, 0.0019086800000000 ] - [ 0.0000472100000000, 0.0001396700000000, 0.0017553400000000 ] - [ 0.0006988000000000, 0.0004123300000000, 0.0016164800000000 ] - [ 0.0019708900000000, 0.0000000000000000, 0.0034355900000000 ] - [ -0.0003127900000000, -0.0004284100000000, 0.0014437800000000 ] - [ -0.0008370100000000, 0.0000000000000000, 0.0006140200000000 ] - [ -0.0019940800000000, -0.0008140400000000, -0.0030200100000000 ] - [ -0.0010929000000000, 0.0000000000000000, 0.0001693100000000 ] - [ -0.0002715900000000, 0.0000000000000000, 0.0011235400000000 ] - [ 0.0002599700000000, 0.0000434000000000, -0.0003518800000000 ] - [ 0.0002916300000000, 0.0000000000000000, -0.0045687600000000 ] - [ -0.0019940800000000, 0.0008140400000000, -0.0030200100000000 ] - [ 0.0028259600000000, 0.0000000000000000, -0.0035332300000000 ] - [ 0.0002599700000000, -0.0000434000000000, -0.0003518800000000 ] - [ -0.0008237700000000, -0.0003428000000000, -0.0011013000000000 ] - [ 0.0011644200000000, 0.0000000000000000, -0.0036017200000000 ] - [ 0.0018689900000000, 0.0000000000000000, -0.0035991300000000 ] - [ -0.0008237700000000, 0.0003428000000000, -0.0011013000000000 ] - [ 0.0079761400000000, 0.0041278700000000, -0.0077147700000000 ] - [ 0.0010738100000000, 0.0000000000000000, 0.0029461600000000 ] - [ 0.0019077300000000, 0.0000000000000000, -0.0008121100000000 ] - [ -0.0024891100000000, 0.0009838100000000, -0.0050567500000000 ] - [ 0.0001225900000000, -0.0000257900000000, 0.0017960000000000 ] - [ -0.0003985900000000, 0.0000000000000000, 0.0006426600000000 ] - [ -0.0014516000000000, 0.0000000000000000, -0.0007368600000000 ] - [ 0.0003871600000000, -0.0000230400000000, 0.0004181300000000 ] - [ 0.0000687700000000, 0.0000000000000000, 0.0017223300000000 ] - [ -0.0001510100000000, 0.0000320500000000, 0.0016824400000000 ] - [ 0.0003871600000000, 0.0000230400000000, 0.0004181300000000 ] - [ -0.0001510500000000, 0.0000000000000000, 0.0012531900000000 ] - [ 0.0000129500000000, 0.0001657900000000, 0.0017570000000000 ] - [ 0.0003647300000000, 0.0000000000000000, 0.0016805100000000 ] - [ 0.0000940700000000, 0.0000000000000000, 0.0012843800000000 ] - [ -0.0001132500000000, 0.0000000000000000, 0.0023284100000000 ] - [ 0.0000181600000000, 0.0001215000000000, 0.0019585700000000 ] - [ 0.0000129500000000, -0.0001657900000000, 0.0017570000000000 ] - [ 0.0000319500000000, 0.0000000000000000, 0.0020765100000000 ] - [ 0.0000181600000000, -0.0001215000000000, 0.0019585700000000 ] - [ -0.0003368400000000, 0.0000000000000000, 0.0017250300000000 ] - [ 0.0002295500000000, 0.0000000000000000, 0.0018233100000000 ] - [ 0.0000472100000000, -0.0001396700000000, 0.0017553400000000 ] - [ 0.0001368500000000, 0.0001777500000000, 0.0019086800000000 ]- atom: 65 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0002903300000000, 0.0000000000000000, 0.0029044400000000 ] - [ -0.0008609100000000, 0.0000000000000000, 0.0027820100000000 ] - [ -0.0006410000000000, 0.0005898400000000, 0.0012831800000000 ] - [ -0.0088649200000000, 0.0000000000000000, -0.0023822400000000 ] - [ 0.0004353600000000, -0.0003836600000000, 0.0031049200000000 ] - [ 0.0149017900000000, -0.0269018700000000, -0.0471076600000000 ] - [ 0.0017315700000000, 0.0000000000000000, 0.0118474200000000 ] - [ 0.0149017900000000, 0.0269018700000000, -0.0471076600000000 ] - [ -0.0031654800000000, 0.0000000000000000, 0.0015915000000000 ] - [ -0.0041860100000000, 0.0000000000000000, -0.0045426300000000 ] - [ -0.0018933900000000, 0.0015531700000000, 0.0013162900000000 ] - [ -0.0001247600000000, 0.0000000000000000, 0.0019933300000000 ] - [ 0.0057945800000000, 0.0000000000000000, -0.0046071200000000 ] - [ 0.0006050900000000, 0.0000000000000000, 0.0022477200000000 ] - [ -0.0018933900000000, -0.0015531700000000, 0.0013162900000000 ] - [ 0.0006442600000000, 0.0000000000000000, 0.0001118000000000 ] - [ 0.0000691500000000, 0.0002355900000000, 0.0021931500000000 ] - [ -0.0001008800000000, 0.0000000000000000, 0.0024065100000000 ] - [ -0.0001838800000000, 0.0001148000000000, 0.0026412100000000 ] - [ 0.0002055100000000, 0.0000000000000000, 0.0030986900000000 ] - [ 0.0000691500000000, -0.0002355900000000, 0.0021931500000000 ] - [ -0.0000339800000000, -0.0001207300000000, 0.0026533400000000 ] - [ 0.0001727000000000, 0.0000000000000000, 0.0026369700000000 ] - [ 0.0000525700000000, 0.0000000000000000, 0.0020934200000000 ] - [ 0.0005390400000000, 0.0000000000000000, 0.0025396700000000 ] - [ 0.0016284000000000, 0.0000000000000000, 0.0010405100000000 ] - [ 0.0004353600000000, 0.0003836600000000, 0.0031049200000000 ] - [ 0.0072911500000000, 0.0000000000000000, -0.0020524400000000 ] - [ -0.0006410000000000, -0.0005898400000000, 0.0012831800000000 ] - [ 0.0001137300000000, -0.0001282800000000, -0.0079921700000000 ] - [ -0.0002252900000000, 0.0000000000000000, -0.0015514400000000 ] - [ 0.0001137300000000, 0.0001282800000000, -0.0079921700000000 ] - [ 0.0022649000000000, 0.0000000000000000, -0.0008060300000000 ] - [ 0.0025036500000000, 0.0000000000000000, -0.0040692400000000 ] - [ 0.0033771900000000, 0.0003916000000000, 0.0017083800000000 ] - [ -0.0002138700000000, 0.0000000000000000, 0.0018581900000000 ] - [ -0.0030855600000000, 0.0000000000000000, -0.0063943100000000 ] - [ -0.0005482300000000, 0.0000000000000000, 0.0024628400000000 ] - [ 0.0033771900000000, -0.0003916000000000, 0.0017083800000000 ] - [ -0.0024603300000000, 0.0000000000000000, 0.0033480200000000 ] - [ 0.0002607200000000, 0.0002216600000000, 0.0020833200000000 ] - [ -0.0001423200000000, 0.0000000000000000, 0.0025370800000000 ] - [ -0.0000339800000000, 0.0001207300000000, 0.0026533400000000 ] - [ 0.0002041600000000, 0.0000000000000000, 0.0030745800000000 ] - [ 0.0002607200000000, -0.0002216600000000, 0.0020833200000000 ] - [ -0.0001838800000000, -0.0001148000000000, 0.0026412100000000 ] - [ 0.0002243100000000, 0.0000000000000000, 0.0026960900000000 ] - [ -0.0000016800000000, 0.0000000000000000, 0.0026030200000000 ] - [ 0.0023282200000000, 0.0000000000000000, -0.1159058200000000 ] - [ -0.0000707800000000, 0.0000000000000000, 0.0015529400000000 ] - [ 0.0001286500000000, 0.0000000000000000, 0.0022229900000000 ] - [ -0.0001684600000000, 0.0000000000000000, 0.0021423900000000 ] - [ 0.0007850100000000, 0.0000000000000000, -0.0021290400000000 ] - [ 0.0001239100000000, 0.0000000000000000, 0.0019785100000000 ] - [ 0.0001359600000000, 0.0000000000000000, 0.0022600200000000 ] - [ 0.0001468100000000, 0.0000000000000000, 0.0009853200000000 ] - [ 0.0002978200000000, -0.0003546400000000, -0.0012255700000000 ] - [ 0.0020664600000000, 0.0000000000000000, -0.0026010000000000 ] - [ -0.0007155800000000, 0.0003393300000000, -0.0013990100000000 ] - [ 0.0000300400000000, 0.0000000000000000, -0.0022999400000000 ] - [ -0.0088719200000000, -0.0149365600000000, -0.0143595900000000 ] - [ -0.0015522900000000, 0.0000000000000000, -0.0018812600000000 ] - [ -0.0003001200000000, 0.0000000000000000, -0.0022426000000000 ] - [ 0.0003837400000000, -0.0003144100000000, -0.0027370000000000 ] - [ -0.0311785400000000, 0.0000000000000000, 0.2386213400000000 ] - [ -0.0088719200000000, 0.0149365600000000, -0.0143595900000000 ] - [ 0.0268265100000000, 0.0000000000000000, -0.0231885200000000 ] - [ 0.0003837400000000, 0.0003144100000000, -0.0027370000000000 ] - [ -0.0026229400000000, -0.0034719700000000, -0.0038394600000000 ] - [ 0.0002513700000000, 0.0000000000000000, 0.0101932900000000 ] - [ 0.0021849200000000, 0.0000000000000000, 0.0047832900000000 ] - [ -0.0026229400000000, 0.0034719700000000, -0.0038394600000000 ] - [ 0.0023904400000000, 0.0006881200000000, 0.0050742200000000 ] - [ 0.0010008900000000, 0.0000000000000000, -0.0012759800000000 ] - [ 0.0052474600000000, 0.0000000000000000, -0.0036008400000000 ] - [ -0.0081793500000000, 0.0044742900000000, 0.0076357000000000 ] - [ 0.0001083100000000, -0.0000548700000000, -0.0013801500000000 ] - [ -0.0006748600000000, 0.0000000000000000, -0.0021125000000000 ] - [ -0.0014109200000000, 0.0000000000000000, 0.0000896300000000 ] - [ 0.0005220100000000, -0.0002600900000000, -0.0023289400000000 ] - [ 0.0000673800000000, 0.0000000000000000, -0.0014213900000000 ] - [ -0.0001634000000000, 0.0000613300000000, -0.0014943200000000 ] - [ 0.0005220100000000, 0.0002600900000000, -0.0023289400000000 ] - [ -0.0001209100000000, 0.0000000000000000, -0.0019169100000000 ] - [ 0.0000075100000000, 0.0001549600000000, -0.0013284300000000 ] - [ 0.0005208800000000, 0.0000000000000000, -0.0013894800000000 ] - [ 0.0000921300000000, 0.0000000000000000, -0.0017564700000000 ] - [ -0.0001137300000000, 0.0000000000000000, -0.0015326400000000 ] - [ -0.0000561700000000, 0.0002561200000000, -0.0011114300000000 ] - [ 0.0000075100000000, -0.0001549600000000, -0.0013284300000000 ] - [ 0.0000468400000000, 0.0000000000000000, -0.0010072000000000 ] - [ -0.0000561700000000, -0.0002561200000000, -0.0011114300000000 ] - [ 0.0003093100000000, 0.0000000000000000, -0.0009647800000000 ] - [ 0.0002284200000000, 0.0000000000000000, -0.0016926600000000 ] - [ -0.0002755000000000, 0.0004257500000000, -0.0009440800000000 ] - [ -0.0001858700000000, -0.0003875300000000, -0.0007905000000000 ] - [ -0.0007155800000000, -0.0003393300000000, -0.0013990100000000 ] - [ -0.0021832300000000, 0.0000000000000000, -0.0039741700000000 ] - [ 0.0002978200000000, 0.0003546400000000, -0.0012255700000000 ] - [ 0.0001523000000000, 0.0000000000000000, -0.0016348200000000 ] - [ 0.0017385600000000, 0.0005908200000000, 0.0023633700000000 ] - [ 0.0007039900000000, 0.0000000000000000, -0.0001427100000000 ] - [ -0.0001680800000000, 0.0000000000000000, -0.0012483900000000 ] - [ -0.0004310000000000, -0.0000277800000000, 0.0000279800000000 ] - [ -0.0012065100000000, 0.0000000000000000, 0.0038349900000000 ] - [ 0.0017385600000000, -0.0005908200000000, 0.0023633700000000 ] - [ -0.0030021900000000, 0.0000000000000000, 0.0030864900000000 ] - [ -0.0004310000000000, 0.0000277800000000, 0.0000279800000000 ] - [ 0.0007636300000000, 0.0004239800000000, 0.0009733600000000 ] - [ -0.0007876000000000, 0.0000000000000000, 0.0034365600000000 ] - [ -0.0012928300000000, 0.0000000000000000, 0.0038277500000000 ] - [ 0.0007636300000000, -0.0004239800000000, 0.0009733600000000 ] - [ -0.0081793500000000, -0.0044742900000000, 0.0076357000000000 ] - [ -0.0011651200000000, 0.0000000000000000, -0.0028119900000000 ] - [ -0.0022598400000000, 0.0000000000000000, 0.0000882800000000 ] - [ 0.0023904400000000, -0.0006881200000000, 0.0050742200000000 ] - [ -0.0001634000000000, -0.0000613300000000, -0.0014943200000000 ] - [ 0.0006596500000000, 0.0000000000000000, -0.0011305700000000 ] - [ 0.0017842300000000, 0.0000000000000000, 0.0002856800000000 ] - [ -0.0005646700000000, -0.0000389900000000, -0.0014422600000000 ] - [ 0.0001492800000000, 0.0000000000000000, -0.0014100600000000 ] - [ 0.0001083100000000, 0.0000548700000000, -0.0013801500000000 ] - [ -0.0005646700000000, 0.0000389900000000, -0.0014422600000000 ] - [ -0.0002364500000000, 0.0000000000000000, -0.0016517100000000 ] - [ 0.0000275000000000, 0.0001595900000000, -0.0013533500000000 ] - [ 0.0004495500000000, 0.0000000000000000, -0.0013889000000000 ] - [ 0.0000336000000000, 0.0000000000000000, -0.0015556900000000 ] - [ 0.0000246900000000, 0.0000000000000000, -0.0015833400000000 ] - [ -0.0000302500000000, 0.0002512900000000, -0.0010477100000000 ] - [ 0.0000275000000000, -0.0001595900000000, -0.0013533500000000 ] - [ 0.0001014000000000, 0.0000000000000000, -0.0009687800000000 ] - [ -0.0000302500000000, -0.0002512900000000, -0.0010477100000000 ] - [ 0.0004503500000000, 0.0000000000000000, -0.0010482800000000 ] - [ 0.0001738000000000, 0.0000000000000000, -0.0017429400000000 ] - [ -0.0001858700000000, 0.0003875300000000, -0.0007905000000000 ] - [ -0.0002755000000000, -0.0004257500000000, -0.0009440800000000 ]- atom: 67 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0022817500000000, 0.0000000000000000, -0.0001050700000000 ] - [ 0.0078265000000000, 0.0000000000000000, 0.0001037500000000 ] - [ -0.0014017500000000, 0.0028322400000000, 0.0039106300000000 ] - [ 0.1064193400000000, 0.0000000000000000, -0.0227092200000000 ] - [ -0.0009574400000000, 0.0001188900000000, -0.0031270100000000 ] - [ 0.0256454100000000, -0.0038877300000000, 0.0015912400000000 ] - [ 0.0212851400000000, 0.0000000000000000, -0.0055943100000000 ] - [ 0.0256454100000000, 0.0038877300000000, 0.0015912400000000 ] - [ 0.0103208900000000, 0.0000000000000000, 0.0015127400000000 ] - [ -0.0035768600000000, 0.0000000000000000, -0.0001692900000000 ] - [ -0.0006594300000000, 0.0001545900000000, 0.0001885400000000 ] - [ 0.0000822500000000, 0.0000000000000000, -0.0001139200000000 ] - [ 0.0001320000000000, 0.0000000000000000, -0.0070924400000000 ] - [ 0.0001537400000000, 0.0000000000000000, -0.0003474800000000 ] - [ -0.0006594300000000, -0.0001545900000000, 0.0001885400000000 ] - [ -0.0001549500000000, 0.0000000000000000, -0.0005825300000000 ] - [ 0.0000501600000000, 0.0000604800000000, 0.0001616200000000 ] - [ -0.0002935100000000, 0.0000000000000000, 0.0006808800000000 ] - [ 0.0001103700000000, 0.0001378300000000, 0.0007121800000000 ] - [ 0.0001520800000000, 0.0000000000000000, 0.0006956100000000 ] - [ 0.0000501600000000, -0.0000604800000000, 0.0001616200000000 ] - [ -0.0003594600000000, -0.0001336100000000, 0.0004982200000000 ] - [ 0.0001853200000000, 0.0000000000000000, 0.0005499600000000 ] - [ -0.0002716000000000, 0.0000000000000000, 0.0006836800000000 ] - [ -0.0018139400000000, 0.0000000000000000, 0.0004847700000000 ] - [ -0.0039392000000000, 0.0000000000000000, 0.0000070900000000 ] - [ -0.0009574400000000, -0.0001188900000000, -0.0031270100000000 ] - [ -0.0095381800000000, 0.0000000000000000, -0.0047758900000000 ] - [ -0.0014017500000000, -0.0028322400000000, 0.0039106300000000 ] - [ -0.0086192800000000, -0.0002789000000000, -0.0044540500000000 ] - [ -0.0057643500000000, 0.0000000000000000, 0.0063861000000000 ] - [ -0.0086192800000000, 0.0002789000000000, -0.0044540500000000 ] - [ -0.0077130300000000, 0.0000000000000000, 0.0009362800000000 ] - [ 0.0047213900000000, 0.0000000000000000, -0.0011644800000000 ] - [ 0.0010172200000000, -0.0000876600000000, -0.0008412400000000 ] - [ -0.0000153400000000, 0.0000000000000000, -0.0000686900000000 ] - [ -0.0026106500000000, 0.0000000000000000, 0.0024482000000000 ] - [ -0.0000816700000000, 0.0000000000000000, -0.0000294300000000 ] - [ 0.0010172200000000, 0.0000876600000000, -0.0008412400000000 ] - [ 0.0005821700000000, 0.0000000000000000, 0.0005391600000000 ] - [ 0.0000801100000000, 0.0000453300000000, 0.0000791900000000 ] - [ 0.0001041000000000, 0.0000000000000000, 0.0001550900000000 ] - [ -0.0003594600000000, 0.0001336100000000, 0.0004982200000000 ] - [ 0.0002608200000000, 0.0000000000000000, 0.0006796500000000 ] - [ 0.0000801100000000, -0.0000453300000000, 0.0000791900000000 ] - [ 0.0001103700000000, -0.0001378300000000, 0.0007121800000000 ] - [ 0.0002092600000000, 0.0000000000000000, 0.0004564700000000 ] - [ 0.0003644700000000, 0.0000000000000000, -0.0008696900000000 ] - [ 0.0014560200000000, 0.0000000000000000, 0.0030882700000000 ] - [ -0.0000464500000000, 0.0000000000000000, 0.0001325500000000 ] - [ 0.0000895800000000, 0.0000000000000000, 0.0006743800000000 ] - [ 0.0001131500000000, 0.0000000000000000, -0.0000106300000000 ] - [ -0.0010013100000000, 0.0000000000000000, -0.0012928800000000 ] - [ 0.0001041300000000, 0.0000000000000000, 0.0001047100000000 ] - [ 0.0001753900000000, 0.0000000000000000, 0.0005340600000000 ] - [ -0.0001472000000000, 0.0000000000000000, -0.0003084400000000 ] - [ -0.0023414700000000, -0.0008164800000000, -0.0010893200000000 ] - [ 0.0031575000000000, 0.0000000000000000, -0.0135265300000000 ] - [ 0.0016333900000000, -0.0002021800000000, 0.0008122200000000 ] - [ -0.0007702400000000, 0.0000000000000000, 0.0012610300000000 ] - [ 0.0200869600000000, 0.0173705800000000, 0.0020359100000000 ] - [ 0.0026365300000000, 0.0000000000000000, 0.0030425800000000 ] - [ -0.0004797800000000, 0.0000000000000000, 0.0014096000000000 ] - [ -0.0033682700000000, 0.0031910500000000, 0.0062539700000000 ] - [ 0.0081694800000000, 0.0000000000000000, -0.0285067400000000 ] - [ 0.0200869600000000, -0.0173705800000000, 0.0020359100000000 ] - [ -0.2404090000000000, 0.0000000000000000, 0.0405500300000000 ] - [ -0.0033682700000000, -0.0031910500000000, 0.0062539700000000 ] - [ -0.0015559000000000, -0.0003232200000000, -0.0004359900000000 ] - [ -0.0029154100000000, 0.0000000000000000, -0.0023910200000000 ] - [ -0.0083504400000000, 0.0000000000000000, 0.0017424300000000 ] - [ -0.0015559000000000, 0.0003232200000000, -0.0004359900000000 ] - [ 0.0031276400000000, -0.0004375600000000, -0.0000269100000000 ] - [ 0.0003392000000000, 0.0000000000000000, -0.0001246100000000 ] - [ 0.0009917500000000, 0.0000000000000000, -0.0016210300000000 ] - [ -0.0045698900000000, -0.0034189300000000, 0.0054141600000000 ] - [ 0.0000121300000000, -0.0000443800000000, 0.0000248900000000 ] - [ -0.0001402300000000, 0.0000000000000000, -0.0002738900000000 ] - [ 0.0000658600000000, 0.0000000000000000, 0.0008192900000000 ] - [ -0.0001396500000000, -0.0000637500000000, -0.0008224300000000 ] - [ 0.0000955600000000, 0.0000000000000000, 0.0000940000000000 ] - [ -0.0000595400000000, 0.0000464700000000, 0.0000999100000000 ] - [ -0.0001396500000000, 0.0000637500000000, -0.0008224300000000 ] - [ -0.0002112600000000, 0.0000000000000000, -0.0003451500000000 ] - [ 0.0000938400000000, 0.0001646900000000, 0.0000795900000000 ] - [ 0.0004261900000000, 0.0000000000000000, 0.0000372200000000 ] - [ 0.0000398700000000, 0.0000000000000000, -0.0002504000000000 ] - [ 0.0003358400000000, 0.0000000000000000, 0.0002053000000000 ] - [ -0.0000078500000000, 0.0001873200000000, 0.0003761800000000 ] - [ 0.0000938400000000, -0.0001646900000000, 0.0000795900000000 ] - [ 0.0001560600000000, 0.0000000000000000, 0.0005277900000000 ] - [ -0.0000078500000000, -0.0001873200000000, 0.0003761800000000 ] - [ 0.0003380800000000, 0.0000000000000000, 0.0002172400000000 ] - [ 0.0001449100000000, 0.0000000000000000, -0.0001376700000000 ] - [ -0.0000032100000000, 0.0000845800000000, 0.0007247400000000 ] - [ -0.0001359600000000, -0.0001725400000000, 0.0001419800000000 ] - [ 0.0016333900000000, 0.0002021800000000, 0.0008122200000000 ] - [ 0.0024823800000000, 0.0000000000000000, 0.0034484300000000 ] - [ -0.0023414700000000, 0.0008164800000000, -0.0010893200000000 ] - [ 0.0016807300000000, 0.0000000000000000, -0.0026816600000000 ] - [ 0.0146941200000000, 0.0086770500000000, -0.0008484400000000 ] - [ -0.0019827900000000, 0.0000000000000000, -0.0023857700000000 ] - [ 0.0002392200000000, 0.0000000000000000, -0.0011622600000000 ] - [ 0.0031051700000000, 0.0003855200000000, -0.0019539500000000 ] - [ 0.0017903900000000, 0.0000000000000000, 0.0022670600000000 ] - [ 0.0146941200000000, -0.0086770500000000, -0.0008484400000000 ] - [ 0.0109601700000000, 0.0000000000000000, -0.0000759000000000 ] - [ 0.0031051700000000, -0.0003855200000000, -0.0019539500000000 ] - [ 0.0008659700000000, 0.0000445500000000, 0.0002204200000000 ] - [ 0.0028120000000000, 0.0000000000000000, 0.0022558600000000 ] - [ 0.0058283600000000, 0.0000000000000000, -0.0000656000000000 ] - [ 0.0008659700000000, -0.0000445500000000, 0.0002204200000000 ] - [ -0.0045698900000000, 0.0034189300000000, 0.0054141600000000 ] - [ -0.0004283800000000, 0.0000000000000000, -0.0001067100000000 ] - [ -0.0004902300000000, 0.0000000000000000, 0.0008813300000000 ] - [ 0.0031276400000000, 0.0004375600000000, -0.0000269100000000 ] - [ -0.0000595400000000, -0.0000464700000000, 0.0000999100000000 ] - [ 0.0003722200000000, 0.0000000000000000, -0.0003705300000000 ] - [ 0.0005305800000000, 0.0000000000000000, -0.0009264600000000 ] - [ -0.0000349400000000, -0.0000208200000000, -0.0002910500000000 ] - [ 0.0001221200000000, 0.0000000000000000, 0.0000421700000000 ] - [ 0.0000121300000000, 0.0000443800000000, 0.0000248900000000 ] - [ -0.0000349400000000, 0.0000208200000000, -0.0002910500000000 ] - [ -0.0001700900000000, 0.0000000000000000, -0.0002253200000000 ] - [ -0.0000605800000000, 0.0001524400000000, 0.0001456200000000 ] - [ 0.0003949100000000, 0.0000000000000000, 0.0000854700000000 ] - [ 0.0000889700000000, 0.0000000000000000, -0.0001843000000000 ] - [ -0.0004195600000000, 0.0000000000000000, 0.0001868100000000 ] - [ -0.0000072200000000, 0.0001920900000000, 0.0003668800000000 ] - [ -0.0000605800000000, -0.0001524400000000, 0.0001456200000000 ] - [ -0.0000095400000000, 0.0000000000000000, 0.0004041300000000 ] - [ -0.0000072200000000, -0.0001920900000000, 0.0003668800000000 ] - [ -0.0002153100000000, 0.0000000000000000, 0.0003293500000000 ] - [ 0.0002608500000000, 0.0000000000000000, 0.0000401300000000 ] - [ -0.0001359600000000, 0.0001725400000000, 0.0001419800000000 ] - [ -0.0000032100000000, -0.0000845800000000, 0.0007247400000000 ]- atom: 67 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0019798300000000, 0.0000000000000000, 0.0006983000000000 ] - [ -0.0078999500000000, 0.0000000000000000, -0.0008905400000000 ] - [ 0.0015616800000000, -0.0027431300000000, -0.0039571500000000 ] - [ -0.0995151500000000, 0.0000000000000000, 0.0196514800000000 ] - [ 0.0010840100000000, -0.0001962100000000, 0.0030543200000000 ] - [ -0.0258950800000000, 0.0035687900000000, -0.0013383700000000 ] - [ -0.0238152900000000, 0.0000000000000000, 0.0043863600000000 ] - [ -0.0258950800000000, -0.0035687900000000, -0.0013383700000000 ] - [ -0.0104584200000000, 0.0000000000000000, -0.0014514000000000 ] - [ 0.0035565400000000, 0.0000000000000000, 0.0001055500000000 ] - [ 0.0008510900000000, -0.0003019000000000, -0.0009273800000000 ] - [ 0.0000095800000000, 0.0000000000000000, -0.0002983400000000 ] - [ 0.0005372500000000, 0.0000000000000000, 0.0068019000000000 ] - [ -0.0000963600000000, 0.0000000000000000, -0.0003029400000000 ] - [ 0.0008510900000000, 0.0003019000000000, -0.0009273800000000 ] - [ 0.0008738100000000, 0.0000000000000000, 0.0002527500000000 ] - [ 0.0000663000000000, 0.0000246000000000, -0.0001495100000000 ] - [ 0.0000504100000000, 0.0000000000000000, -0.0000853400000000 ] - [ -0.0003261100000000, 0.0000966700000000, 0.0002425500000000 ] - [ 0.0002610000000000, 0.0000000000000000, 0.0004034600000000 ] - [ 0.0000663000000000, -0.0000246000000000, -0.0001495100000000 ] - [ 0.0001396500000000, -0.0001010100000000, 0.0004568400000000 ] - [ 0.0002087900000000, 0.0000000000000000, 0.0002153700000000 ] - [ 0.0003354200000000, 0.0000000000000000, -0.0009243100000000 ] - [ 0.0020964700000000, 0.0000000000000000, 0.0001189900000000 ] - [ 0.0038026900000000, 0.0000000000000000, -0.0007692100000000 ] - [ 0.0010840100000000, 0.0001962100000000, 0.0030543200000000 ] - [ 0.0092652500000000, 0.0000000000000000, 0.0040638000000000 ] - [ 0.0015616800000000, 0.0027431300000000, -0.0039571500000000 ] - [ 0.0085471400000000, 0.0002890400000000, 0.0044088000000000 ] - [ 0.0055511900000000, 0.0000000000000000, -0.0061801300000000 ] - [ 0.0085471400000000, -0.0002890400000000, 0.0044088000000000 ] - [ 0.0074915200000000, 0.0000000000000000, -0.0007968600000000 ] - [ -0.0047465900000000, 0.0000000000000000, 0.0011456700000000 ] - [ -0.0008191500000000, -0.0000579600000000, 0.0001145900000000 ] - [ 0.0001079500000000, 0.0000000000000000, -0.0003444300000000 ] - [ 0.0031855200000000, 0.0000000000000000, -0.0026895000000000 ] - [ 0.0001362800000000, 0.0000000000000000, -0.0006232300000000 ] - [ -0.0008191500000000, 0.0000579600000000, 0.0001145900000000 ] - [ 0.0001179400000000, 0.0000000000000000, -0.0008597400000000 ] - [ 0.0000373000000000, 0.0000398000000000, -0.0000668400000000 ] - [ -0.0003464800000000, 0.0000000000000000, 0.0004368300000000 ] - [ 0.0001396500000000, 0.0001010100000000, 0.0004568400000000 ] - [ 0.0001532700000000, 0.0000000000000000, 0.0004190100000000 ] - [ 0.0000373000000000, -0.0000398000000000, -0.0000668400000000 ] - [ -0.0003261100000000, -0.0000966700000000, 0.0002425500000000 ] - [ 0.0001843600000000, 0.0000000000000000, 0.0003087500000000 ] - [ -0.0002998500000000, 0.0000000000000000, 0.0006181500000000 ] - [ -0.0016330200000000, 0.0000000000000000, -0.0034670900000000 ] - [ 0.0001042200000000, 0.0000000000000000, -0.0000957200000000 ] - [ 0.0001738000000000, 0.0000000000000000, 0.0003547400000000 ] - [ -0.0001370300000000, 0.0000000000000000, -0.0005054300000000 ] - [ 0.0008466800000000, 0.0000000000000000, 0.0008572600000000 ] - [ -0.0000470000000000, 0.0000000000000000, -0.0000657800000000 ] - [ 0.0000880400000000, 0.0000000000000000, 0.0004942400000000 ] - [ 0.0001276500000000, 0.0000000000000000, -0.0002093500000000 ] - [ 0.0023103600000000, 0.0008856300000000, 0.0012983600000000 ] - [ -0.0033492300000000, 0.0000000000000000, 0.0128924200000000 ] - [ -0.0016422700000000, 0.0001296200000000, -0.0006004100000000 ] - [ 0.0000901900000000, 0.0000000000000000, -0.0022716800000000 ] - [ -0.0206103100000000, -0.0178470600000000, -0.0026995000000000 ] - [ -0.0030109700000000, 0.0000000000000000, -0.0030322700000000 ] - [ 0.0000448600000000, 0.0000000000000000, -0.0015295900000000 ] - [ 0.0032390200000000, -0.0031599000000000, -0.0065266400000000 ] - [ -0.0090273800000000, 0.0000000000000000, 0.0279536300000000 ] - [ -0.0206103100000000, 0.0178470600000000, -0.0026995000000000 ] - [ 0.2360361900000000, 0.0000000000000000, -0.0377956700000000 ] - [ 0.0032390200000000, 0.0031599000000000, -0.0065266400000000 ] - [ 0.0015120300000000, 0.0004068500000000, 0.0003092000000000 ] - [ 0.0033402200000000, 0.0000000000000000, 0.0022200700000000 ] - [ 0.0089328300000000, 0.0000000000000000, -0.0014944500000000 ] - [ 0.0015120300000000, -0.0004068500000000, 0.0003092000000000 ] - [ -0.0032146300000000, 0.0001415400000000, 0.0000848700000000 ] - [ -0.0004424000000000, 0.0000000000000000, 0.0002495800000000 ] - [ -0.0013497400000000, 0.0000000000000000, 0.0009336200000000 ] - [ 0.0044096300000000, 0.0037290300000000, -0.0054256900000000 ] - [ -0.0000539300000000, -0.0000428400000000, 0.0002726300000000 ] - [ 0.0004039700000000, 0.0000000000000000, -0.0002179600000000 ] - [ 0.0002649100000000, 0.0000000000000000, -0.0012693700000000 ] - [ -0.0000357600000000, 0.0000015600000000, -0.0001979100000000 ] - [ 0.0001223200000000, 0.0000000000000000, 0.0002130200000000 ] - [ 0.0000168900000000, 0.0000410500000000, 0.0001964300000000 ] - [ -0.0000357600000000, -0.0000015600000000, -0.0001979100000000 ] - [ -0.0001760700000000, 0.0000000000000000, -0.0000563800000000 ] - [ -0.0000537700000000, 0.0001604500000000, 0.0003193800000000 ] - [ 0.0003879800000000, 0.0000000000000000, 0.0002502900000000 ] - [ 0.0000882700000000, 0.0000000000000000, -0.0000240100000000 ] - [ -0.0004231900000000, 0.0000000000000000, 0.0005330300000000 ] - [ -0.0000036000000000, 0.0001857800000000, 0.0005305200000000 ] - [ -0.0000537700000000, -0.0001604500000000, 0.0003193800000000 ] - [ -0.0000220400000000, 0.0000000000000000, 0.0005759100000000 ] - [ -0.0000036000000000, -0.0001857800000000, 0.0005305200000000 ] - [ -0.0002221600000000, 0.0000000000000000, 0.0004555300000000 ] - [ 0.0002576800000000, 0.0000000000000000, 0.0002129600000000 ] - [ -0.0001349100000000, 0.0001637400000000, 0.0002390200000000 ] - [ -0.0000044800000000, -0.0000766800000000, 0.0008184700000000 ] - [ -0.0016422700000000, -0.0001296200000000, -0.0006004100000000 ] - [ -0.0026699000000000, 0.0000000000000000, -0.0039848500000000 ] - [ 0.0023103600000000, -0.0008856300000000, 0.0012983600000000 ] - [ -0.0023600600000000, 0.0000000000000000, 0.0016471700000000 ] - [ -0.0147864300000000, -0.0087901100000000, 0.0001712700000000 ] - [ 0.0015693300000000, 0.0000000000000000, 0.0023971300000000 ] - [ -0.0006801900000000, 0.0000000000000000, 0.0010228700000000 ] - [ -0.0032639900000000, -0.0003685700000000, 0.0016077500000000 ] - [ -0.0026944700000000, 0.0000000000000000, -0.0029733800000000 ] - [ -0.0147864300000000, 0.0087901100000000, 0.0001712700000000 ] - [ -0.0111094400000000, 0.0000000000000000, -0.0003681900000000 ] - [ -0.0032639900000000, 0.0003685700000000, 0.0016077500000000 ] - [ -0.0009160000000000, 0.0000398900000000, -0.0003306100000000 ] - [ -0.0024196400000000, 0.0000000000000000, -0.0023904800000000 ] - [ -0.0052304900000000, 0.0000000000000000, 0.0002946600000000 ] - [ -0.0009160000000000, -0.0000398900000000, -0.0003306100000000 ] - [ 0.0044096300000000, -0.0037290300000000, -0.0054256900000000 ] - [ 0.0003245800000000, 0.0000000000000000, 0.0002245400000000 ] - [ 0.0001173800000000, 0.0000000000000000, -0.0015847400000000 ] - [ -0.0032146300000000, -0.0001415400000000, 0.0000848700000000 ] - [ 0.0000168900000000, -0.0000410500000000, 0.0001964300000000 ] - [ -0.0001065400000000, 0.0000000000000000, -0.0001163300000000 ] - [ -0.0001821600000000, 0.0000000000000000, 0.0004878400000000 ] - [ -0.0001463600000000, -0.0000417200000000, -0.0007308500000000 ] - [ 0.0000960700000000, 0.0000000000000000, 0.0002653400000000 ] - [ -0.0000539300000000, 0.0000428400000000, 0.0002726300000000 ] - [ -0.0001463600000000, 0.0000417200000000, -0.0007308500000000 ] - [ -0.0002176300000000, 0.0000000000000000, -0.0001765400000000 ] - [ 0.0001002500000000, 0.0001728100000000, 0.0002542900000000 ] - [ 0.0004189400000000, 0.0000000000000000, 0.0002022400000000 ] - [ 0.0000383200000000, 0.0000000000000000, -0.0000900800000000 ] - [ 0.0003291000000000, 0.0000000000000000, 0.0005531500000000 ] - [ -0.0000051300000000, 0.0001808600000000, 0.0005401700000000 ] - [ 0.0001002500000000, -0.0001728100000000, 0.0002542900000000 ] - [ 0.0001421100000000, 0.0000000000000000, 0.0006990900000000 ] - [ -0.0000051300000000, -0.0001808600000000, 0.0005401700000000 ] - [ 0.0003280100000000, 0.0000000000000000, 0.0003456400000000 ] - [ 0.0001428800000000, 0.0000000000000000, 0.0000358000000000 ] - [ -0.0000044800000000, 0.0000766800000000, 0.0008184700000000 ] - [ -0.0001349100000000, -0.0001637400000000, 0.0002390200000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001438500000000, -0.0005183900000000, 0.0002950900000000 ] - [ -0.0000750800000000, 0.0035634800000000, -0.0004040600000000 ] - [ 0.0001777800000000, 0.0001255700000000, -0.0002418900000000 ] - [ -0.0004279700000000, 0.0187690300000000, -0.0002237400000000 ] - [ -0.0020267400000000, -0.0000611700000000, -0.0014629100000000 ] - [ -0.0024029800000000, 0.0061991200000000, 0.0033394500000000 ] - [ -0.0000885900000000, 0.0181375900000000, 0.0001197300000000 ] - [ 0.0018475800000000, 0.0071667900000000, -0.0024956900000000 ] - [ -0.0000806200000000, -0.0115366400000000, 0.0001353200000000 ] - [ -0.0000086500000000, 0.0001289800000000, -0.0000243800000000 ] - [ 0.0001061100000000, -0.0000723800000000, -0.0003745100000000 ] - [ 0.0000466900000000, -0.0000023800000000, -0.0002096700000000 ] - [ 0.0003009500000000, 0.0044048700000000, -0.0001167100000000 ] - [ 0.0000284500000000, -0.0000204400000000, -0.0003304600000000 ] - [ 0.0000880500000000, 0.0000727100000000, -0.0003644200000000 ] - [ 0.0003528300000000, -0.0000114700000000, -0.0001662400000000 ] - [ 0.0000599100000000, 0.0000428200000000, 0.0000044600000000 ] - [ -0.0001210300000000, 0.0000176500000000, 0.0002932200000000 ] - [ -0.0000977000000000, 0.0001181000000000, 0.0004934500000000 ] - [ 0.0002069700000000, 0.0000016000000000, 0.0005456300000000 ] - [ 0.0000571200000000, -0.0000416600000000, 0.0000012000000000 ] - [ -0.0001203600000000, -0.0001168400000000, 0.0004691300000000 ] - [ 0.0001970500000000, 0.0000001900000000, 0.0003793700000000 ] - [ 0.0000326400000000, -0.0000317300000000, -0.0001256200000000 ] - [ 0.0001475200000000, 0.0000417700000000, 0.0002952900000000 ] - [ -0.0000612700000000, -0.0002121000000000, -0.0003873100000000 ] - [ 0.0021835900000000, 0.0000133500000000, 0.0013919900000000 ] - [ -0.0001110400000000, -0.0071530800000000, -0.0003555100000000 ] - [ -0.0000112500000000, 0.0000791100000000, 0.0001678100000000 ] - [ -0.0015302100000000, 0.0000749800000000, -0.0016361000000000 ] - [ -0.0001071100000000, -0.0043327700000000, 0.0000849300000000 ] - [ 0.0014893100000000, 0.0000673500000000, 0.0016472700000000 ] - [ -0.0000954800000000, 0.0009956300000000, 0.0000656300000000 ] - [ -0.0000002600000000, -0.0037555500000000, -0.0000324000000000 ] - [ 0.0002552900000000, -0.0000778900000000, -0.0000750400000000 ] - [ 0.0000464900000000, -0.0000020900000000, -0.0002096500000000 ] - [ 0.0003048200000000, -0.0002501300000000, -0.0001151700000000 ] - [ 0.0000280900000000, -0.0000246000000000, -0.0003298700000000 ] - [ -0.0000553600000000, 0.0000691900000000, -0.0006690200000000 ] - [ 0.0003548500000000, -0.0002585700000000, -0.0001651300000000 ] - [ 0.0000593000000000, 0.0000429800000000, 0.0000046600000000 ] - [ -0.0001215200000000, 0.0000241800000000, 0.0002936900000000 ] - [ -0.0000967100000000, 0.0001177100000000, 0.0004792400000000 ] - [ 0.0002068500000000, 0.0000016300000000, 0.0005455600000000 ] - [ 0.0000575400000000, -0.0000414900000000, 0.0000007700000000 ] - [ -0.0001200300000000, -0.0001164600000000, 0.0004542300000000 ] - [ 0.0001970700000000, -0.0000003600000000, 0.0003795100000000 ] - [ 0.0000316900000000, -0.0000866700000000, -0.0001244400000000 ] - [ -0.0000785000000000, 0.0001760600000000, -0.0002012500000000 ] - [ 0.0000287200000000, -0.0000023600000000, 0.0000162700000000 ] - [ 0.0001319200000000, -0.0000055300000000, 0.0005117700000000 ] - [ -0.0000104300000000, 0.0000372900000000, -0.0002612000000000 ] - [ -0.0000861300000000, -0.0002537500000000, -0.0002134500000000 ] - [ 0.0000290300000000, -0.0000017400000000, 0.0000161100000000 ] - [ 0.0001318300000000, -0.0000064800000000, 0.0005120500000000 ] - [ -0.0000110900000000, 0.0000156800000000, -0.0002616000000000 ] - [ -0.0005293900000000, 0.0000576800000000, 0.0004138200000000 ] - [ -0.0001340300000000, -0.0041272200000000, -0.0002187200000000 ] - [ -0.0000725300000000, -0.0000366900000000, 0.0001116200000000 ] - [ -0.0003410100000000, 0.0014832900000000, -0.0005108900000000 ] - [ 0.0135974700000000, 0.0087724800000000, 0.0004279600000000 ] - [ -0.0001934800000000, -0.0014400400000000, 0.0000081100000000 ] - [ -0.0002198400000000, -0.0010349000000000, -0.0000692500000000 ] - [ 0.0044492700000000, 0.0025040700000000, 0.0091466900000000 ] - [ -0.0003983600000000, -0.0066014600000000, -0.0004585500000000 ] - [ -0.0140038500000000, 0.0089995400000000, -0.0011000300000000 ] - [ 0.0008344600000000, -0.0974711600000000, -0.0012444100000000 ] - [ -0.0046527200000000, 0.0024487200000000, -0.0095518300000000 ] - [ -0.0004138500000000, 0.0001453500000000, 0.0004214300000000 ] - [ 0.0001867400000000, 0.0013236100000000, -0.0000706800000000 ] - [ 0.0002712900000000, 0.0402115800000000, 0.0001292700000000 ] - [ 0.0003599900000000, 0.0000643400000000, -0.0005360800000000 ] - [ 0.0000557400000000, -0.0002354600000000, -0.0002528100000000 ] - [ -0.0000509600000000, -0.0000077200000000, 0.0000634500000000 ] - [ -0.0001790700000000, -0.0000126800000000, -0.0003458900000000 ] - [ -0.0010824700000000, 0.0025578300000000, -0.0064588000000000 ] - [ -0.0000232000000000, -0.0000420400000000, 0.0001563400000000 ] - [ 0.0001324300000000, -0.0000269900000000, -0.0002419600000000 ] - [ 0.0001715900000000, -0.0005530700000000, -0.0002156300000000 ] - [ -0.0001308500000000, -0.0000217300000000, -0.0004629000000000 ] - [ 0.0001092000000000, 0.0000008400000000, 0.0001554500000000 ] - [ -0.0000198000000000, 0.0000441600000000, 0.0001478600000000 ] - [ -0.0000478700000000, 0.0000400100000000, -0.0005531200000000 ] - [ -0.0001943900000000, 0.0000037800000000, -0.0001979100000000 ] - [ 0.0000177100000000, 0.0001623800000000, 0.0002045100000000 ] - [ 0.0004070000000000, -0.0000003100000000, 0.0001459200000000 ] - [ 0.0000639500000000, -0.0000013300000000, -0.0001350000000000 ] - [ -0.0000449500000000, -0.0000004000000000, 0.0003726200000000 ] - [ -0.0000059700000000, 0.0001864900000000, 0.0004566700000000 ] - [ 0.0000229400000000, -0.0001635800000000, 0.0001992100000000 ] - [ 0.0000663600000000, 0.0000052800000000, 0.0005538600000000 ] - [ -0.0000057000000000, -0.0001861900000000, 0.0004544100000000 ] - [ 0.0000569300000000, 0.0000006900000000, 0.0003378600000000 ] - [ 0.0002017300000000, -0.0000025800000000, 0.0000401400000000 ] - [ -0.0000503300000000, 0.0001207200000000, 0.0005226000000000 ] - [ -0.0000556600000000, -0.0001270200000000, 0.0004607300000000 ] - [ 0.0000553400000000, 0.0000369900000000, 0.0001024100000000 ] - [ -0.0001012700000000, 0.0012924100000000, -0.0002643100000000 ] - [ 0.0005173800000000, -0.0000235100000000, -0.0001942700000000 ] - [ -0.0003498600000000, -0.0000380600000000, -0.0005055200000000 ] - [ 0.0074791500000000, 0.0022139500000000, 0.0000404400000000 ] - [ -0.0001867500000000, 0.0012187900000000, -0.0000010500000000 ] - [ -0.0002193800000000, 0.0000945300000000, -0.0000667700000000 ] - [ 0.0001393300000000, 0.0001166800000000, -0.0007857400000000 ] - [ -0.0004482200000000, 0.0009613400000000, -0.0003718900000000 ] - [ -0.0076885700000000, 0.0024502100000000, -0.0007087200000000 ] - [ -0.0000856500000000, 0.0022581300000000, -0.0002292700000000 ] - [ -0.0003114100000000, 0.0001045900000000, 0.0004513900000000 ] - [ -0.0000054900000000, 0.0000320500000000, -0.0000898000000000 ] - [ 0.0002007200000000, -0.0006964000000000, -0.0000815400000000 ] - [ 0.0002889000000000, -0.0017633500000000, 0.0001091500000000 ] - [ -0.0000403400000000, -0.0000528700000000, -0.0000242100000000 ] - [ 0.0009948500000000, 0.0022507600000000, 0.0065643100000000 ] - [ -0.0000526100000000, 0.0000588500000000, 0.0000638300000000 ] - [ -0.0001824200000000, 0.0008092200000000, -0.0003395500000000 ] - [ -0.0001540100000000, 0.0000583000000000, 0.0003010200000000 ] - [ -0.0000218900000000, -0.0000425000000000, 0.0001553400000000 ] - [ 0.0001332400000000, 0.0000100000000000, -0.0002422100000000 ] - [ 0.0001703200000000, 0.0000358000000000, -0.0002185400000000 ] - [ -0.0000674100000000, -0.0000227300000000, -0.0004594800000000 ] - [ 0.0001092100000000, 0.0000009200000000, 0.0001554100000000 ] - [ -0.0000179400000000, 0.0000443600000000, 0.0001465500000000 ] - [ -0.0001103200000000, 0.0000388700000000, -0.0005545700000000 ] - [ -0.0001939100000000, 0.0000048100000000, -0.0001978500000000 ] - [ 0.0000184000000000, 0.0001623800000000, 0.0002055900000000 ] - [ 0.0004070200000000, -0.0000002600000000, 0.0001460200000000 ] - [ 0.0000641300000000, -0.0000016700000000, -0.0001349100000000 ] - [ -0.0000437000000000, 0.0000168200000000, 0.0003724100000000 ] - [ -0.0000060800000000, 0.0001865700000000, 0.0004567900000000 ] - [ 0.0000225500000000, -0.0001635600000000, 0.0001980600000000 ] - [ 0.0000665100000000, 0.0000025900000000, 0.0005539900000000 ] - [ -0.0000054500000000, -0.0001861000000000, 0.0004544700000000 ] - [ 0.0000573800000000, -0.0000072300000000, 0.0003379800000000 ] - [ 0.0002016700000000, -0.0000064800000000, 0.0000397000000000 ] - [ -0.0000831700000000, 0.0001216800000000, 0.0005035800000000 ] - [ -0.0000885100000000, -0.0001278400000000, 0.0004403100000000 ]- atom: 67 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0011931600000000, 0.0000000000000000, -0.0032715400000000 ] - [ 0.0012985700000000, 0.0000000000000000, -0.0080715800000000 ] - [ 0.0032854500000000, -0.0029063000000000, -0.0010198600000000 ] - [ -0.0060254700000000, 0.0000000000000000, 0.0262445300000000 ] - [ -0.0055617100000000, 0.0003084100000000, -0.0015151500000000 ] - [ 0.0043946300000000, 0.0049511600000000, 0.0242529100000000 ] - [ 0.0002536500000000, 0.0000000000000000, 0.0223704300000000 ] - [ 0.0043946300000000, -0.0049511600000000, 0.0242529100000000 ] - [ 0.0031816400000000, 0.0000000000000000, 0.0076774600000000 ] - [ 0.0009565200000000, 0.0000000000000000, 0.0004667400000000 ] - [ 0.0005272300000000, -0.0004549300000000, -0.0018793500000000 ] - [ 0.0002747300000000, 0.0000000000000000, -0.0024046500000000 ] - [ -0.0073293900000000, 0.0000000000000000, -0.0041061600000000 ] - [ -0.0001082800000000, 0.0000000000000000, -0.0032178700000000 ] - [ 0.0005272300000000, 0.0004549300000000, -0.0018793500000000 ] - [ -0.0006053300000000, 0.0000000000000000, -0.0016653600000000 ] - [ 0.0000067100000000, -0.0001331500000000, -0.0021218300000000 ] - [ 0.0000048800000000, 0.0000000000000000, -0.0017516000000000 ] - [ 0.0001330600000000, 0.0000891500000000, -0.0018571000000000 ] - [ 0.0001786600000000, 0.0000000000000000, -0.0019601400000000 ] - [ 0.0000067100000000, 0.0001331500000000, -0.0021218300000000 ] - [ -0.0003828900000000, -0.0001076800000000, -0.0015354700000000 ] - [ 0.0002180700000000, 0.0000000000000000, -0.0019072600000000 ] - [ 0.0003457100000000, 0.0000000000000000, -0.0019118800000000 ] - [ 0.0003145700000000, 0.0000000000000000, -0.0011184800000000 ] - [ -0.0009418700000000, 0.0000000000000000, 0.0002877700000000 ] - [ -0.0055617100000000, -0.0003084100000000, -0.0015151500000000 ] - [ -0.0020924400000000, 0.0000000000000000, 0.0039585600000000 ] - [ 0.0032854500000000, 0.0029063000000000, -0.0010198600000000 ] - [ -0.0007903700000000, -0.0000619900000000, 0.0056880600000000 ] - [ 0.0008460300000000, 0.0000000000000000, 0.0064660000000000 ] - [ -0.0007903700000000, 0.0000619900000000, 0.0056880600000000 ] - [ -0.0014504100000000, 0.0000000000000000, 0.0047445200000000 ] - [ 0.0030702400000000, 0.0000000000000000, -0.0033646000000000 ] - [ -0.0002844300000000, -0.0004710400000000, -0.0033717300000000 ] - [ 0.0002320000000000, 0.0000000000000000, -0.0023110700000000 ] - [ 0.0028188900000000, 0.0000000000000000, 0.0013141100000000 ] - [ 0.0002257900000000, 0.0000000000000000, -0.0029633300000000 ] - [ -0.0002844300000000, 0.0004710400000000, -0.0033717300000000 ] - [ 0.0017024900000000, 0.0000000000000000, -0.0025668100000000 ] - [ -0.0000905900000000, -0.0001446300000000, -0.0021734500000000 ] - [ -0.0002341500000000, 0.0000000000000000, -0.0021309600000000 ] - [ -0.0003828900000000, 0.0001076800000000, -0.0015354700000000 ] - [ 0.0002319800000000, 0.0000000000000000, -0.0020622700000000 ] - [ -0.0000905900000000, 0.0001446300000000, -0.0021734500000000 ] - [ 0.0001330600000000, -0.0000891500000000, -0.0018571000000000 ] - [ 0.0001731000000000, 0.0000000000000000, -0.0019353000000000 ] - [ -0.0002049900000000, 0.0000000000000000, -0.0032596500000000 ] - [ 0.0008715200000000, 0.0000000000000000, -0.0045590000000000 ] - [ -0.0000076700000000, 0.0000000000000000, -0.0015500300000000 ] - [ 0.0001758300000000, 0.0000000000000000, -0.0011682700000000 ] - [ 0.0002080900000000, 0.0000000000000000, -0.0021396200000000 ] - [ -0.0017442300000000, 0.0000000000000000, -0.0001137100000000 ] - [ 0.0000604900000000, 0.0000000000000000, -0.0018097000000000 ] - [ 0.0000973300000000, 0.0000000000000000, -0.0012870400000000 ] - [ -0.0002920400000000, 0.0000000000000000, -0.0019035900000000 ] - [ -0.0009189800000000, 0.0009222200000000, 0.0019565000000000 ] - [ -0.0099961500000000, 0.0000000000000000, 0.0079406000000000 ] - [ 0.0007785700000000, -0.0000049900000000, 0.0003999200000000 ] - [ 0.0009306900000000, 0.0000000000000000, 0.0025503400000000 ] - [ 0.0025628800000000, 0.0029137700000000, -0.0080211100000000 ] - [ 0.0032806100000000, 0.0000000000000000, -0.0016983300000000 ] - [ 0.0009612200000000, 0.0000000000000000, 0.0026527100000000 ] - [ 0.0072621100000000, 0.0089162200000000, 0.0115044500000000 ] - [ -0.0224074100000000, 0.0000000000000000, 0.0218568100000000 ] - [ 0.0025628800000000, -0.0029137700000000, -0.0080211100000000 ] - [ 0.0059363500000000, 0.0000000000000000, -0.1245912100000000 ] - [ 0.0072621100000000, -0.0089162200000000, 0.0115044500000000 ] - [ -0.0006209900000000, 0.0004761700000000, 0.0023579300000000 ] - [ -0.0022494100000000, 0.0000000000000000, -0.0028511000000000 ] - [ 0.0005379900000000, 0.0000000000000000, -0.0121193400000000 ] - [ -0.0006209900000000, -0.0004761700000000, 0.0023579300000000 ] - [ -0.0014032000000000, -0.0006918000000000, -0.0018694700000000 ] - [ -0.0001978100000000, 0.0000000000000000, 0.0012666800000000 ] - [ -0.0015061700000000, 0.0000000000000000, 0.0010109100000000 ] - [ 0.0019602000000000, -0.0066896700000000, 0.0088038600000000 ] - [ -0.0000599600000000, -0.0000406400000000, 0.0016695300000000 ] - [ 0.0002232500000000, 0.0000000000000000, 0.0015682400000000 ] - [ 0.0012941400000000, 0.0000000000000000, 0.0020864400000000 ] - [ -0.0004416400000000, -0.0000000500000000, 0.0010082500000000 ] - [ 0.0001325900000000, 0.0000000000000000, 0.0017645700000000 ] - [ 0.0000096800000000, 0.0000398400000000, 0.0018166900000000 ] - [ -0.0004416400000000, 0.0000000500000000, 0.0010082500000000 ] - [ -0.0002557900000000, 0.0000000000000000, 0.0013981900000000 ] - [ 0.0000128300000000, 0.0001718000000000, 0.0016607500000000 ] - [ 0.0003010100000000, 0.0000000000000000, 0.0016599400000000 ] - [ 0.0000182800000000, 0.0000000000000000, 0.0014186700000000 ] - [ -0.0000642500000000, 0.0000000000000000, 0.0019859900000000 ] - [ 0.0000329900000000, 0.0001154000000000, 0.0020004500000000 ] - [ 0.0000128300000000, -0.0001718000000000, 0.0016607500000000 ] - [ 0.0001482700000000, 0.0000000000000000, 0.0021103200000000 ] - [ 0.0000329900000000, -0.0001154000000000, 0.0020004500000000 ] - [ -0.0001362900000000, 0.0000000000000000, 0.0014114400000000 ] - [ 0.0001191900000000, 0.0000000000000000, 0.0017943700000000 ] - [ 0.0003653500000000, -0.0001667400000000, 0.0020114000000000 ] - [ -0.0001387300000000, 0.0001073200000000, 0.0017051200000000 ] - [ 0.0007785700000000, 0.0000049900000000, 0.0003999200000000 ] - [ 0.0020666800000000, 0.0000000000000000, -0.0023421400000000 ] - [ -0.0009189800000000, -0.0009222200000000, 0.0019565000000000 ] - [ -0.0024520900000000, 0.0000000000000000, 0.0010969500000000 ] - [ 0.0004774800000000, 0.0016641900000000, -0.0065961400000000 ] - [ -0.0024097100000000, 0.0000000000000000, -0.0021914000000000 ] - [ -0.0008937100000000, 0.0000000000000000, 0.0001749300000000 ] - [ -0.0005665100000000, -0.0001608900000000, -0.0025256700000000 ] - [ 0.0007673600000000, 0.0000000000000000, -0.0034476100000000 ] - [ 0.0004774800000000, -0.0016641900000000, -0.0065961400000000 ] - [ 0.0016424400000000, 0.0000000000000000, -0.0035017700000000 ] - [ -0.0005665100000000, 0.0001608900000000, -0.0025256700000000 ] - [ 0.0002086000000000, -0.0000345700000000, 0.0002042900000000 ] - [ 0.0024481600000000, 0.0000000000000000, -0.0021718900000000 ] - [ 0.0012291600000000, 0.0000000000000000, -0.0036979300000000 ] - [ 0.0002086000000000, 0.0000345700000000, 0.0002042900000000 ] - [ 0.0019602000000000, 0.0066896700000000, 0.0088038600000000 ] - [ -0.0000373100000000, 0.0000000000000000, 0.0020667900000000 ] - [ 0.0008773200000000, 0.0000000000000000, 0.0025230800000000 ] - [ -0.0014032000000000, 0.0006918000000000, -0.0018694700000000 ] - [ 0.0000096800000000, -0.0000398400000000, 0.0018166900000000 ] - [ 0.0000183500000000, 0.0000000000000000, 0.0009535600000000 ] - [ -0.0005618800000000, 0.0000000000000000, 0.0004785600000000 ] - [ 0.0002751800000000, -0.0000028700000000, 0.0011588000000000 ] - [ 0.0000844100000000, 0.0000000000000000, 0.0016983900000000 ] - [ -0.0000599600000000, 0.0000406400000000, 0.0016695300000000 ] - [ 0.0002751800000000, 0.0000028700000000, 0.0011588000000000 ] - [ -0.0001328600000000, 0.0000000000000000, 0.0014095800000000 ] - [ 0.0000304000000000, 0.0001698400000000, 0.0018392900000000 ] - [ 0.0003522200000000, 0.0000000000000000, 0.0017201000000000 ] - [ 0.0001154600000000, 0.0000000000000000, 0.0014045600000000 ] - [ -0.0001552200000000, 0.0000000000000000, 0.0026530300000000 ] - [ 0.0000333400000000, 0.0001209100000000, 0.0020046800000000 ] - [ 0.0000304000000000, -0.0001698400000000, 0.0018392900000000 ] - [ -0.0000246200000000, 0.0000000000000000, 0.0021226100000000 ] - [ 0.0000333400000000, -0.0001209100000000, 0.0020046800000000 ] - [ -0.0003908800000000, 0.0000000000000000, 0.0018819100000000 ] - [ 0.0002953800000000, 0.0000000000000000, 0.0018207400000000 ] - [ -0.0001387300000000, -0.0001073200000000, 0.0017051200000000 ] - [ 0.0003653500000000, 0.0001667400000000, 0.0020114000000000 ]- atom: 67 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0009128900000000, 0.0000000000000000, 0.0038750700000000 ] - [ -0.0014356200000000, 0.0000000000000000, 0.0073268600000000 ] - [ -0.0031414500000000, 0.0029999300000000, 0.0009392100000000 ] - [ 0.0053488400000000, 0.0000000000000000, -0.0267162600000000 ] - [ 0.0057592600000000, -0.0003918200000000, 0.0014334900000000 ] - [ -0.0047897900000000, -0.0055280000000000, -0.0237277100000000 ] - [ -0.0016018700000000, 0.0000000000000000, -0.0227710200000000 ] - [ -0.0047897900000000, 0.0055280000000000, -0.0237277100000000 ] - [ -0.0033893700000000, 0.0000000000000000, -0.0076633800000000 ] - [ -0.0009609600000000, 0.0000000000000000, -0.0005002400000000 ] - [ -0.0003302300000000, 0.0003063400000000, 0.0011456500000000 ] - [ -0.0001812400000000, 0.0000000000000000, 0.0019882700000000 ] - [ 0.0078984300000000, 0.0000000000000000, 0.0038529000000000 ] - [ 0.0001649100000000, 0.0000000000000000, 0.0025609100000000 ] - [ -0.0003302300000000, -0.0003063400000000, 0.0011456500000000 ] - [ 0.0013091500000000, 0.0000000000000000, 0.0013398100000000 ] - [ 0.0001105700000000, 0.0002177400000000, 0.0021305500000000 ] - [ -0.0002484900000000, 0.0000000000000000, 0.0023399600000000 ] - [ -0.0003517500000000, 0.0001453800000000, 0.0028081200000000 ] - [ 0.0002356600000000, 0.0000000000000000, 0.0030539100000000 ] - [ 0.0001105700000000, -0.0002177400000000, 0.0021305500000000 ] - [ 0.0001676200000000, -0.0001267500000000, 0.0024843900000000 ] - [ 0.0001758600000000, 0.0000000000000000, 0.0026686000000000 ] - [ -0.0002834100000000, 0.0000000000000000, 0.0016566000000000 ] - [ -0.0000266200000000, 0.0000000000000000, 0.0017058300000000 ] - [ 0.0008193100000000, 0.0000000000000000, -0.0010810100000000 ] - [ 0.0057592600000000, 0.0003918200000000, 0.0014334900000000 ] - [ 0.0018431600000000, 0.0000000000000000, -0.0047165300000000 ] - [ -0.0031414500000000, -0.0029999300000000, 0.0009392100000000 ] - [ 0.0007572700000000, 0.0000653600000000, -0.0056373900000000 ] - [ -0.0010445600000000, 0.0000000000000000, -0.0063540500000000 ] - [ 0.0007572700000000, -0.0000653600000000, -0.0056373900000000 ] - [ 0.0012543700000000, 0.0000000000000000, -0.0046558400000000 ] - [ -0.0030459400000000, 0.0000000000000000, 0.0033203700000000 ] - [ 0.0004830000000000, 0.0003211200000000, 0.0026289700000000 ] - [ -0.0001392000000000, 0.0000000000000000, 0.0018950600000000 ] - [ -0.0022121000000000, 0.0000000000000000, -0.0015208200000000 ] - [ -0.0001686300000000, 0.0000000000000000, 0.0023079200000000 ] - [ 0.0004830000000000, -0.0003211200000000, 0.0026289700000000 ] - [ -0.0009884400000000, 0.0000000000000000, 0.0022404700000000 ] - [ 0.0002074300000000, 0.0002291600000000, 0.0021821100000000 ] - [ -0.0000079500000000, 0.0000000000000000, 0.0027219800000000 ] - [ 0.0001676200000000, 0.0001267500000000, 0.0024843900000000 ] - [ 0.0001817200000000, 0.0000000000000000, 0.0031566400000000 ] - [ 0.0002074300000000, -0.0002291600000000, 0.0021821100000000 ] - [ -0.0003517500000000, -0.0001453800000000, 0.0028081200000000 ] - [ 0.0002213700000000, 0.0000000000000000, 0.0026966300000000 ] - [ 0.0002710400000000, 0.0000000000000000, 0.0030136800000000 ] - [ -0.0010324400000000, 0.0000000000000000, 0.0041462200000000 ] - [ 0.0000650400000000, 0.0000000000000000, 0.0015852700000000 ] - [ 0.0000878600000000, 0.0000000000000000, 0.0021940900000000 ] - [ -0.0002287200000000, 0.0000000000000000, 0.0016188800000000 ] - [ 0.0015655100000000, 0.0000000000000000, -0.0003016600000000 ] - [ -0.0000024000000000, 0.0000000000000000, 0.0018439300000000 ] - [ 0.0001667200000000, 0.0000000000000000, 0.0023137300000000 ] - [ 0.0002687200000000, 0.0000000000000000, 0.0013830700000000 ] - [ 0.0009114000000000, -0.0008512200000000, -0.0017408100000000 ] - [ 0.0099226500000000, 0.0000000000000000, -0.0085695800000000 ] - [ -0.0007975700000000, -0.0000705200000000, -0.0001738500000000 ] - [ -0.0016275700000000, 0.0000000000000000, -0.0035895800000000 ] - [ -0.0027323700000000, -0.0030864400000000, 0.0073906300000000 ] - [ -0.0036875700000000, 0.0000000000000000, 0.0017461700000000 ] - [ -0.0014081800000000, 0.0000000000000000, -0.0027867600000000 ] - [ -0.0075487400000000, -0.0090731800000000, -0.0120514600000000 ] - [ 0.0211516400000000, 0.0000000000000000, -0.0223655300000000 ] - [ -0.0027323700000000, 0.0030864400000000, 0.0073906300000000 ] - [ -0.0034959800000000, 0.0000000000000000, 0.1235273300000000 ] - [ -0.0075487400000000, 0.0090731800000000, -0.0120514600000000 ] - [ 0.0005663100000000, -0.0003920800000000, -0.0024753200000000 ] - [ 0.0026358900000000, 0.0000000000000000, 0.0026547000000000 ] - [ 0.0000607200000000, 0.0000000000000000, 0.0123371600000000 ] - [ 0.0005663100000000, 0.0003920800000000, -0.0024753200000000 ] - [ 0.0012957300000000, 0.0003889100000000, 0.0018982500000000 ] - [ 0.0000942100000000, 0.0000000000000000, -0.0011451500000000 ] - [ 0.0011373700000000, 0.0000000000000000, -0.0017016500000000 ] - [ -0.0020435200000000, 0.0068771500000000, -0.0086244400000000 ] - [ 0.0000186400000000, -0.0000458500000000, -0.0013702600000000 ] - [ 0.0000412300000000, 0.0000000000000000, -0.0020549600000000 ] - [ -0.0009491700000000, 0.0000000000000000, -0.0025232100000000 ] - [ 0.0002623900000000, -0.0000619000000000, -0.0020273400000000 ] - [ 0.0000857800000000, 0.0000000000000000, -0.0014549700000000 ] - [ -0.0000514300000000, 0.0000468700000000, -0.0015167700000000 ] - [ 0.0002623900000000, 0.0000619000000000, -0.0020273400000000 ] - [ -0.0001328300000000, 0.0000000000000000, -0.0017971600000000 ] - [ 0.0000273100000000, 0.0001532900000000, -0.0012575400000000 ] - [ 0.0005134400000000, 0.0000000000000000, -0.0013699800000000 ] - [ 0.0001095500000000, 0.0000000000000000, -0.0016910100000000 ] - [ -0.0000241500000000, 0.0000000000000000, -0.0012404400000000 ] - [ -0.0000448900000000, 0.0002575700000000, -0.0010910900000000 ] - [ 0.0000273100000000, -0.0001532900000000, -0.0012575400000000 ] - [ -0.0000151200000000, 0.0000000000000000, -0.0010036900000000 ] - [ -0.0000448900000000, -0.0002575700000000, -0.0010910900000000 ] - [ 0.0002490900000000, 0.0000000000000000, -0.0007328400000000 ] - [ 0.0002848700000000, 0.0000000000000000, -0.0017150600000000 ] - [ -0.0005059200000000, 0.0004144600000000, -0.0010484300000000 ] - [ 0.0000016200000000, -0.0003550000000000, -0.0007397400000000 ] - [ -0.0007975700000000, 0.0000705200000000, -0.0001738500000000 ] - [ -0.0022828900000000, 0.0000000000000000, 0.0018528500000000 ] - [ 0.0009114000000000, 0.0008512200000000, -0.0017408100000000 ] - [ 0.0017786600000000, 0.0000000000000000, -0.0021211000000000 ] - [ -0.0007800600000000, -0.0019068500000000, 0.0059281900000000 ] - [ 0.0020324700000000, 0.0000000000000000, 0.0022357800000000 ] - [ 0.0004583200000000, 0.0000000000000000, -0.0002941000000000 ] - [ 0.0004004600000000, 0.0001781500000000, 0.0022168200000000 ] - [ -0.0016620200000000, 0.0000000000000000, 0.0026815400000000 ] - [ -0.0007800600000000, 0.0019068500000000, 0.0059281900000000 ] - [ -0.0018029300000000, 0.0000000000000000, 0.0030467400000000 ] - [ 0.0004004600000000, -0.0001781500000000, 0.0022168200000000 ] - [ -0.0002543000000000, 0.0001193700000000, -0.0003278000000000 ] - [ -0.0020403300000000, 0.0000000000000000, 0.0019895400000000 ] - [ -0.0006541900000000, 0.0000000000000000, 0.0039124600000000 ] - [ -0.0002543000000000, -0.0001193700000000, -0.0003278000000000 ] - [ -0.0020435200000000, -0.0068771500000000, -0.0086244400000000 ] - [ -0.0000680000000000, 0.0000000000000000, -0.0019424400000000 ] - [ -0.0012365900000000, 0.0000000000000000, -0.0031980700000000 ] - [ 0.0012957300000000, -0.0003889100000000, 0.0018982500000000 ] - [ -0.0000514300000000, -0.0000468700000000, -0.0015167700000000 ] - [ 0.0002467200000000, 0.0000000000000000, -0.0014427600000000 ] - [ 0.0009017700000000, 0.0000000000000000, -0.0009247400000000 ] - [ -0.0004513600000000, -0.0000588900000000, -0.0021760500000000 ] - [ 0.0001340700000000, 0.0000000000000000, -0.0013887300000000 ] - [ 0.0000186400000000, 0.0000458500000000, -0.0013702600000000 ] - [ -0.0004513600000000, 0.0000588900000000, -0.0021760500000000 ] - [ -0.0002543900000000, 0.0000000000000000, -0.0018086200000000 ] - [ 0.0000099900000000, 0.0001554400000000, -0.0014371000000000 ] - [ 0.0004621000000000, 0.0000000000000000, -0.0014300600000000 ] - [ 0.0000129800000000, 0.0000000000000000, -0.0016769500000000 ] - [ 0.0000683100000000, 0.0000000000000000, -0.0019126700000000 ] - [ -0.0000449000000000, 0.0002519800000000, -0.0010953100000000 ] - [ 0.0000099900000000, -0.0001554400000000, -0.0014371000000000 ] - [ 0.0001590000000000, 0.0000000000000000, -0.0010161800000000 ] - [ -0.0000449000000000, -0.0002519800000000, -0.0010953100000000 ] - [ 0.0005054300000000, 0.0000000000000000, -0.0012063100000000 ] - [ 0.0001074100000000, 0.0000000000000000, -0.0017417900000000 ] - [ 0.0000016200000000, 0.0003550000000000, -0.0007397400000000 ] - [ -0.0005059200000000, -0.0004144600000000, -0.0010484300000000 ]- atom: 69 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001892800000000, 0.0000015000000000, 0.0003074300000000 ] - [ 0.0000556500000000, -0.0000055100000000, -0.0003387600000000 ] - [ 0.0000034900000000, 0.0000466300000000, 0.0000800500000000 ] - [ -0.0001574300000000, 0.0002978300000000, 0.0007465800000000 ] - [ 0.0001797900000000, -0.0000391000000000, -0.0001674700000000 ] - [ 0.0042113000000000, 0.0008567600000000, -0.0009713400000000 ] - [ 0.0006650600000000, 0.0000422500000000, -0.0004243900000000 ] - [ 0.0063638400000000, -0.0006971200000000, 0.0000035600000000 ] - [ 0.0001969300000000, 0.0000194800000000, 0.0002543800000000 ] - [ -0.0063482700000000, -0.0000120200000000, -0.0021610300000000 ] - [ -0.0102229400000000, -0.0017724500000000, 0.0028841000000000 ] - [ 0.0013447400000000, -0.0000829600000000, -0.0009587700000000 ] - [ -0.0025196500000000, 0.0031226000000000, 0.0056644200000000 ] - [ -0.0007427800000000, -0.0001829100000000, -0.0034395100000000 ] - [ -0.0052640000000000, 0.0019153800000000, 0.0044909200000000 ] - [ -0.0085150900000000, -0.0004678700000000, -0.0022835100000000 ] - [ 0.0003953200000000, 0.0001925100000000, 0.0006638400000000 ] - [ -0.0001626300000000, 0.0000011000000000, 0.0003543800000000 ] - [ -0.0001663800000000, 0.0001231100000000, 0.0004798800000000 ] - [ 0.0003979400000000, 0.0000049600000000, 0.0006713300000000 ] - [ 0.0006442500000000, -0.0001879300000000, 0.0010329400000000 ] - [ -0.0000523700000000, -0.0001116800000000, 0.0004839000000000 ] - [ -0.0001610000000000, -0.0000370500000000, 0.0005364700000000 ] - [ 0.0000107700000000, 0.0000005700000000, -0.0000880800000000 ] - [ 0.0000920800000000, 0.0000023400000000, 0.0003021100000000 ] - [ -0.0002043000000000, -0.0000129000000000, -0.0004045300000000 ] - [ 0.0001740300000000, 0.0000400000000000, -0.0001644000000000 ] - [ -0.0005067600000000, -0.0000669800000000, -0.0011304900000000 ] - [ 0.0000173000000000, -0.0000461700000000, 0.0001004100000000 ] - [ -0.0027484600000000, -0.0000382800000000, -0.0002414100000000 ] - [ -0.0006256600000000, -0.0001421400000000, 0.0004945700000000 ] - [ -0.0023615000000000, 0.0000328300000000, -0.0000725200000000 ] - [ -0.0004417400000000, 0.0000329900000000, -0.0000554900000000 ] - [ 0.0240947300000000, -0.0028664300000000, 0.0037065300000000 ] - [ 0.0073879900000000, -0.0031335600000000, -0.0048054500000000 ] - [ -0.0011150200000000, 0.0002551900000000, 0.0004274700000000 ] - [ -0.0033182400000000, 0.0017490100000000, -0.0079256800000000 ] - [ -0.0012902200000000, 0.0029121200000000, 0.0037822800000000 ] - [ 0.0585660300000000, 0.0000749500000000, 0.0214399500000000 ] - [ 0.0341075700000000, -0.0140479400000000, -0.0095091800000000 ] - [ -0.0004952800000000, -0.0001303100000000, -0.0007047900000000 ] - [ -0.0000775000000000, 0.0000016600000000, 0.0002469900000000 ] - [ -0.0000498500000000, 0.0001119400000000, 0.0004842100000000 ] - [ -0.0000022100000000, 0.0000215200000000, 0.0004464200000000 ] - [ -0.0005590900000000, 0.0001352700000000, -0.0007460900000000 ] - [ -0.0001690000000000, -0.0001230200000000, 0.0004776800000000 ] - [ 0.0005815100000000, 0.0000006100000000, 0.0002329800000000 ] - [ 0.0000520900000000, 0.0000004000000000, -0.0001466700000000 ] - [ 0.0190884400000000, 0.0161271000000000, 0.0078922400000000 ] - [ -0.0017191300000000, -0.0002982700000000, 0.0007441400000000 ] - [ 0.0001039000000000, -0.0000042500000000, 0.0006759900000000 ] - [ 0.0043998200000000, -0.0025387800000000, 0.0030034900000000 ] - [ -0.0075815300000000, 0.0004830300000000, 0.0020652300000000 ] - [ 0.0017337100000000, 0.0004950400000000, -0.0017315600000000 ] - [ 0.0001606100000000, -0.0000034300000000, 0.0003488200000000 ] - [ -0.0033058600000000, -0.0000269700000000, -0.0015666700000000 ] - [ -0.0000498500000000, 0.0000289800000000, 0.0000693500000000 ] - [ -0.0001592700000000, -0.0000125200000000, -0.0004476900000000 ] - [ 0.0000362300000000, -0.0000423600000000, 0.0001466400000000 ] - [ -0.0003898700000000, -0.0000022700000000, -0.0004860100000000 ] - [ -0.0002208200000000, -0.0002890700000000, 0.0006949400000000 ] - [ -0.0001556900000000, -0.0000157800000000, 0.0002226500000000 ] - [ -0.0002576400000000, 0.0000023800000000, -0.0000421900000000 ] - [ -0.0003133100000000, 0.0000005900000000, -0.0001769400000000 ] - [ -0.0036736300000000, 0.0009014900000000, 0.0027475900000000 ] - [ -0.0003199000000000, 0.0002660400000000, 0.0004049900000000 ] - [ -0.0016190000000000, -0.0003869500000000, -0.0006041200000000 ] - [ -0.0002770700000000, 0.0000029700000000, -0.0001452900000000 ] - [ -0.1785414800000000, -0.0051773500000000, -0.0253588100000000 ] - [ -0.0033292100000000, -0.0035882600000000, 0.0074827300000000 ] - [ -0.0009001300000000, 0.0004573400000000, -0.0001270000000000 ] - [ -0.0124435100000000, -0.0015129400000000, -0.0011167600000000 ] - [ 0.0024601200000000, -0.0006205300000000, 0.0021233300000000 ] - [ 0.0035583900000000, 0.0003050300000000, -0.0007483300000000 ] - [ 0.0092875500000000, 0.0048157200000000, -0.0003714100000000 ] - [ -0.0032247700000000, 0.0001440800000000, -0.0025149800000000 ] - [ 0.0008763900000000, -0.0001347300000000, -0.0017231200000000 ] - [ -0.0023239800000000, -0.0024925900000000, 0.0044815100000000 ] - [ 0.0119520400000000, -0.0076954700000000, 0.0007113100000000 ] - [ 0.0063282600000000, -0.0016013300000000, -0.0140402100000000 ] - [ 0.0001824700000000, 0.0000428600000000, 0.0006868300000000 ] - [ -0.0002265600000000, 0.0000232600000000, 0.0013553900000000 ] - [ -0.0016100300000000, -0.0010385100000000, -0.0031162300000000 ] - [ -0.0013857200000000, -0.0004473100000000, -0.0012780800000000 ] - [ -0.0000237000000000, 0.0001588800000000, 0.0001202200000000 ] - [ 0.0003287600000000, 0.0000334900000000, -0.0001679900000000 ] - [ -0.0009958500000000, 0.0002119900000000, -0.0007314500000000 ] - [ -0.0000517000000000, -0.0000001700000000, 0.0003533600000000 ] - [ -0.0004336100000000, 0.0001917000000000, 0.0003551400000000 ] - [ -0.0000224300000000, -0.0001594800000000, 0.0001238500000000 ] - [ -0.0000047200000000, -0.0000012400000000, 0.0005631400000000 ] - [ -0.0003961800000000, -0.0001913800000000, 0.0003792200000000 ] - [ 0.0000489100000000, 0.0000003600000000, 0.0003255800000000 ] - [ 0.0002648600000000, 0.0000026000000000, 0.0000078900000000 ] - [ -0.0000872800000000, 0.0001209900000000, 0.0004922900000000 ] - [ -0.0000530900000000, -0.0001295600000000, 0.0004637900000000 ] - [ 0.0000431200000000, 0.0000414700000000, 0.0001436000000000 ] - [ -0.0000195800000000, 0.0000130900000000, -0.0000426800000000 ] - [ -0.0000491200000000, -0.0000293000000000, 0.0000716700000000 ] - [ -0.0002971100000000, -0.0000032400000000, -0.0005501400000000 ] - [ 0.0004274700000000, 0.0000582600000000, -0.0010448600000000 ] - [ -0.0002297100000000, 0.0000158100000000, -0.0001414500000000 ] - [ -0.0001891600000000, 0.0000033600000000, -0.0001031000000000 ] - [ 0.0001119000000000, 0.0000151200000000, -0.0002560300000000 ] - [ 0.0017470500000000, 0.0000936400000000, -0.0014987500000000 ] - [ 0.0001543200000000, 0.0000158700000000, -0.0007233400000000 ] - [ 0.0008103600000000, 0.0000176500000000, -0.0001263400000000 ] - [ 0.0000789200000000, -0.0000029300000000, -0.0001942400000000 ] - [ 0.0079482600000000, 0.0000778100000000, 0.0000899800000000 ] - [ 0.0033712400000000, -0.0001682400000000, -0.0010720400000000 ] - [ 0.0009012300000000, -0.0000205100000000, 0.0003637200000000 ] - [ 0.0057414500000000, -0.0001256500000000, 0.0000013500000000 ] - [ 0.0009336800000000, -0.0018621700000000, -0.0144527500000000 ] - [ -0.0047235800000000, 0.0072180900000000, 0.0120863000000000 ] - [ 0.0259004900000000, 0.0208573800000000, 0.0008575600000000 ] - [ 0.0027429900000000, 0.0006074700000000, 0.0021576500000000 ] - [ -0.0000440000000000, 0.0000214500000000, 0.0017499600000000 ] - [ 0.0035503500000000, -0.0007024300000000, -0.0017808900000000 ] - [ 0.0164443200000000, -0.0102139600000000, -0.0013840000000000 ] - [ 0.0021296600000000, 0.0005027800000000, 0.0025406900000000 ] - [ 0.0000496000000000, -0.0000715200000000, -0.0003097600000000 ] - [ 0.0003512800000000, -0.0000665000000000, -0.0007251000000000 ] - [ 0.0027066900000000, -0.0004559800000000, 0.0025078600000000 ] - [ 0.0006674800000000, 0.0000338900000000, 0.0006763500000000 ] - [ 0.0000698300000000, 0.0001649900000000, 0.0002711300000000 ] - [ 0.0005055100000000, -0.0000209700000000, 0.0004756600000000 ] - [ 0.0009747600000000, -0.0000436100000000, 0.0002793600000000 ] - [ -0.0000360100000000, -0.0000002700000000, 0.0003819700000000 ] - [ 0.0004319500000000, 0.0001855300000000, 0.0004516900000000 ] - [ 0.0000645300000000, -0.0001673500000000, 0.0002774200000000 ] - [ 0.0001365900000000, -0.0000031200000000, 0.0005313200000000 ] - [ 0.0003625500000000, -0.0001923200000000, 0.0005287900000000 ] - [ 0.0000675300000000, 0.0000004300000000, 0.0003447300000000 ] - [ 0.0001359400000000, 0.0000009500000000, 0.0000572500000000 ] - [ -0.0000532400000000, 0.0001299200000000, 0.0004628700000000 ] - [ -0.0000878400000000, -0.0001204600000000, 0.0004935700000000 ]- atom: 69 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001001800000000, -0.0000012600000000, 0.0002830100000000 ] - [ -0.0001784400000000, 0.0000057600000000, -0.0004405300000000 ] - [ 0.0001573400000000, 0.0000326800000000, -0.0001527900000000 ] - [ -0.0000637200000000, -0.0002979900000000, -0.0014593000000000 ] - [ -0.0000208100000000, -0.0000397900000000, 0.0000931500000000 ] - [ -0.0042329400000000, -0.0008455700000000, 0.0009666800000000 ] - [ -0.0008642200000000, -0.0000412600000000, 0.0005827900000000 ] - [ -0.0063953200000000, 0.0006862200000000, -0.0000176500000000 ] - [ -0.0003917400000000, -0.0000194000000000, -0.0001367800000000 ] - [ 0.0063508200000000, 0.0000094800000000, 0.0021472100000000 ] - [ 0.0104531100000000, 0.0016327700000000, -0.0036633400000000 ] - [ -0.0012562000000000, 0.0000838600000000, 0.0005451000000000 ] - [ 0.0031579900000000, -0.0031334100000000, -0.0058389300000000 ] - [ 0.0008352700000000, 0.0001880300000000, 0.0027825100000000 ] - [ 0.0054528900000000, -0.0017756900000000, -0.0052714300000000 ] - [ 0.0092191500000000, 0.0004594400000000, 0.0019195200000000 ] - [ -0.0002825400000000, -0.0001081900000000, -0.0006596200000000 ] - [ -0.0000798800000000, -0.0000009400000000, 0.0002325600000000 ] - [ -0.0000504900000000, 0.0001117300000000, 0.0004677600000000 ] - [ 0.0000146900000000, -0.0000046700000000, 0.0004195300000000 ] - [ -0.0005326900000000, 0.0001039800000000, -0.0010309000000000 ] - [ -0.0001653800000000, -0.0001228200000000, 0.0004641700000000 ] - [ 0.0005556600000000, 0.0000373000000000, 0.0002199200000000 ] - [ 0.0000535800000000, -0.0000003300000000, -0.0001643600000000 ] - [ 0.0001965400000000, -0.0000021800000000, 0.0002886600000000 ] - [ 0.0000788200000000, 0.0000131500000000, -0.0003727900000000 ] - [ -0.0000149700000000, 0.0000392800000000, 0.0000901100000000 ] - [ 0.0002681800000000, 0.0000662600000000, 0.0004171500000000 ] - [ 0.0001434700000000, -0.0000327500000000, -0.0001731200000000 ] - [ 0.0027152200000000, 0.0000474700000000, 0.0002692600000000 ] - [ 0.0004294600000000, 0.0001427800000000, -0.0003266900000000 ] - [ 0.0023261100000000, -0.0000417200000000, 0.0000994800000000 ] - [ 0.0002423600000000, -0.0000328500000000, 0.0001806200000000 ] - [ -0.0238639000000000, 0.0031481700000000, -0.0040514500000000 ] - [ -0.0070558300000000, 0.0029906900000000, 0.0040237200000000 ] - [ 0.0012104800000000, -0.0002562900000000, -0.0008517900000000 ] - [ 0.0038960400000000, -0.0017716200000000, 0.0077676500000000 ] - [ 0.0013364700000000, -0.0029188200000000, -0.0044511900000000 ] - [ -0.0550145900000000, -0.0002129600000000, -0.0196940400000000 ] - [ -0.0337125300000000, 0.0149291300000000, 0.0099200400000000 ] - [ 0.0006194100000000, 0.0002150700000000, 0.0007098400000000 ] - [ -0.0001648400000000, -0.0000014500000000, 0.0003401700000000 ] - [ -0.0001677900000000, 0.0001229700000000, 0.0004638200000000 ] - [ 0.0004178600000000, -0.0000214100000000, 0.0006439200000000 ] - [ 0.0006839500000000, -0.0002196600000000, 0.0007515400000000 ] - [ -0.0000478900000000, -0.0001114400000000, 0.0004700200000000 ] - [ -0.0001882600000000, -0.0000004200000000, 0.0005264900000000 ] - [ 0.0000123000000000, -0.0000002100000000, -0.0001059300000000 ] - [ -0.0192822600000000, -0.0165751100000000, -0.0085636900000000 ] - [ 0.0017786100000000, 0.0002933900000000, -0.0007193300000000 ] - [ 0.0001598200000000, -0.0000019500000000, 0.0003464000000000 ] - [ -0.0044529500000000, 0.0025530100000000, -0.0035226500000000 ] - [ 0.0074097300000000, -0.0004803400000000, -0.0024681300000000 ] - [ -0.0016821500000000, -0.0005051300000000, 0.0017921200000000 ] - [ 0.0001034200000000, -0.0000027500000000, 0.0006748100000000 ] - [ 0.0032943400000000, 0.0000332700000000, 0.0010303000000000 ] - [ 0.0000339000000000, 0.0000450900000000, 0.0001484500000000 ] - [ -0.0000460200000000, 0.0000127800000000, -0.0000723900000000 ] - [ -0.0000512100000000, -0.0000313300000000, 0.0000710100000000 ] - [ -0.0002950300000000, 0.0000023700000000, -0.0005348900000000 ] - [ -0.0000347100000000, 0.0000625400000000, -0.0013560100000000 ] - [ -0.0002313600000000, 0.0000158400000000, -0.0002000700000000 ] - [ -0.0001816500000000, -0.0000021900000000, -0.0000858200000000 ] - [ 0.0001437400000000, 0.0000151200000000, -0.0001493300000000 ] - [ 0.0027815500000000, -0.0008946300000000, -0.0034712000000000 ] - [ 0.0000640900000000, -0.0000390300000000, -0.0010686300000000 ] - [ 0.0014489200000000, 0.0003866000000000, 0.0001503500000000 ] - [ 0.0001077700000000, -0.0000183300000000, -0.0001811800000000 ] - [ 0.1749855800000000, 0.0046936700000000, 0.0225311600000000 ] - [ 0.0037813000000000, 0.0035809200000000, -0.0076224500000000 ] - [ 0.0014738500000000, -0.0004565700000000, 0.0003484500000000 ] - [ 0.0123833700000000, 0.0012273600000000, 0.0009852200000000 ] - [ -0.0025605400000000, 0.0003205600000000, -0.0020994700000000 ] - [ -0.0036649700000000, -0.0003049200000000, 0.0008885800000000 ] - [ -0.0097245800000000, -0.0048853700000000, -0.0003167800000000 ] - [ 0.0030935600000000, 0.0001491700000000, 0.0025555300000000 ] - [ -0.0009185300000000, 0.0000481700000000, 0.0020362500000000 ] - [ 0.0025354500000000, 0.0025037100000000, -0.0050057400000000 ] - [ -0.0114560800000000, 0.0075541600000000, -0.0011407000000000 ] - [ -0.0065385900000000, 0.0015490300000000, 0.0131506300000000 ] - [ 0.0000335400000000, -0.0000429100000000, -0.0003779200000000 ] - [ 0.0001788300000000, 0.0000648700000000, -0.0010605300000000 ] - [ 0.0014602300000000, 0.0011025500000000, 0.0021049100000000 ] - [ 0.0010065200000000, 0.0004496500000000, 0.0008839600000000 ] - [ 0.0000647200000000, 0.0001667200000000, 0.0002840500000000 ] - [ 0.0004867400000000, -0.0000334500000000, 0.0004615000000000 ] - [ 0.0011296900000000, -0.0002126700000000, 0.0004619300000000 ] - [ -0.0000366100000000, 0.0000004300000000, 0.0003926100000000 ] - [ 0.0004239400000000, 0.0001810400000000, 0.0005562000000000 ] - [ 0.0000634300000000, -0.0001659600000000, 0.0002803100000000 ] - [ 0.0001384700000000, 0.0000014100000000, 0.0005445600000000 ] - [ 0.0003861000000000, -0.0001809800000000, 0.0005319700000000 ] - [ 0.0000653000000000, -0.0000001600000000, 0.0003519200000000 ] - [ 0.0001385600000000, -0.0000024500000000, 0.0000731200000000 ] - [ -0.0000514500000000, 0.0001276000000000, 0.0004731800000000 ] - [ -0.0000856300000000, -0.0001186200000000, 0.0005017400000000 ] - [ -0.0000579400000000, 0.0000325200000000, 0.0000741600000000 ] - [ -0.0001823700000000, -0.0000127300000000, -0.0004762600000000 ] - [ 0.0000331200000000, -0.0000445200000000, 0.0001458000000000 ] - [ -0.0003880100000000, 0.0000033300000000, -0.0004714800000000 ] - [ -0.0006928600000000, -0.0002856800000000, 0.0003723200000000 ] - [ -0.0001612000000000, -0.0000156300000000, 0.0001631000000000 ] - [ -0.0002504100000000, -0.0000030600000000, -0.0000257400000000 ] - [ -0.0002812600000000, 0.0000009100000000, -0.0000737500000000 ] - [ -0.0026503900000000, -0.0000948900000000, 0.0007419100000000 ] - [ -0.0004192200000000, 0.0002119200000000, 0.0000501600000000 ] - [ -0.0009718100000000, -0.0000172500000000, -0.0003376700000000 ] - [ -0.0002481800000000, -0.0000127300000000, -0.0001356700000000 ] - [ -0.0079999400000000, 0.0000124800000000, -0.0002069500000000 ] - [ -0.0029830900000000, 0.0001706600000000, 0.0008914500000000 ] - [ -0.0003228200000000, 0.0000205400000000, -0.0001549000000000 ] - [ -0.0057927800000000, 0.0000395200000000, -0.0001183800000000 ] - [ -0.0010853000000000, 0.0015804500000000, 0.0143987100000000 ] - [ 0.0045049600000000, -0.0072607800000000, -0.0120206700000000 ] - [ -0.0258090200000000, -0.0204516600000000, -0.0015180000000000 ] - [ -0.0028481600000000, -0.0003073400000000, -0.0021325900000000 ] - [ -0.0000040400000000, -0.0001097100000000, -0.0014580500000000 ] - [ -0.0032849700000000, 0.0007034200000000, 0.0013135900000000 ] - [ -0.0163399800000000, 0.0103891400000000, 0.0009555600000000 ] - [ -0.0023338900000000, -0.0005653000000000, -0.0035274900000000 ] - [ 0.0001704800000000, 0.0000720400000000, 0.0006231300000000 ] - [ -0.0003905200000000, 0.0001548800000000, 0.0010312200000000 ] - [ -0.0028970200000000, 0.0005172600000000, -0.0035002000000000 ] - [ -0.0010598100000000, -0.0000342300000000, -0.0010679400000000 ] - [ -0.0000297000000000, 0.0001605800000000, 0.0001326700000000 ] - [ 0.0003062900000000, 0.0000213700000000, -0.0001843400000000 ] - [ -0.0008510800000000, 0.0000442400000000, -0.0005457400000000 ] - [ -0.0000526500000000, 0.0000004900000000, 0.0003639500000000 ] - [ -0.0004447500000000, 0.0001872200000000, 0.0004618300000000 ] - [ -0.0000243300000000, -0.0001580500000000, 0.0001263100000000 ] - [ -0.0000034200000000, 0.0000033700000000, 0.0005770200000000 ] - [ -0.0003750900000000, -0.0001798500000000, 0.0003842800000000 ] - [ 0.0000462900000000, -0.0000001800000000, 0.0003329900000000 ] - [ 0.0002680800000000, -0.0000009600000000, 0.0000230200000000 ] - [ -0.0000854800000000, 0.0001186200000000, 0.0005026500000000 ] - [ -0.0000508400000000, -0.0001277000000000, 0.0004718800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001437300000000, -0.0000004600000000, 0.0002626000000000 ] - [ -0.0000815000000000, 0.0000041500000000, -0.0004408000000000 ] - [ 0.0000940700000000, 0.0000186900000000, -0.0000666500000000 ] - [ 0.0000434900000000, -0.0001308600000000, -0.0004739000000000 ] - [ 0.0000656500000000, -0.0000265000000000, -0.0000551200000000 ] - [ -0.0001376000000000, -0.0028206800000000, 0.0006251000000000 ] - [ -0.0003016200000000, 0.0000066400000000, -0.0002453700000000 ] - [ -0.0010881500000000, 0.0027155800000000, -0.0006081900000000 ] - [ -0.0000784500000000, -0.0000102200000000, 0.0001001900000000 ] - [ -0.0010786600000000, 0.0000745600000000, -0.0010767400000000 ] - [ -0.0009848900000000, 0.0029530000000000, -0.0005942100000000 ] - [ 0.0001531800000000, 0.0000314900000000, -0.0000039100000000 ] - [ 0.0020924400000000, -0.0019250100000000, -0.0035530700000000 ] - [ 0.0024717900000000, 0.0003309300000000, 0.0012940000000000 ] - [ 0.0007152200000000, -0.0030189800000000, -0.0003229600000000 ] - [ 0.0023871600000000, 0.0002936400000000, 0.0015828700000000 ] - [ 0.0000293200000000, -0.0001886300000000, -0.0001202300000000 ] - [ -0.0001191500000000, 0.0000011200000000, 0.0002664200000000 ] - [ -0.0001066500000000, 0.0001195900000000, 0.0004464300000000 ] - [ 0.0002162700000000, 0.0000061900000000, 0.0005242300000000 ] - [ 0.0001083200000000, 0.0001896900000000, -0.0000056900000000 ] - [ -0.0001106900000000, -0.0001198600000000, 0.0004474500000000 ] - [ 0.0001884100000000, -0.0000117500000000, 0.0003525600000000 ] - [ 0.0000339700000000, 0.0000007900000000, -0.0001564600000000 ] - [ 0.0001501900000000, -0.0000012000000000, 0.0002666000000000 ] - [ -0.0000607100000000, 0.0000058300000000, -0.0004115900000000 ] - [ 0.0000698400000000, 0.0000277200000000, -0.0000524300000000 ] - [ -0.0000158600000000, 0.0000037500000000, -0.0000496300000000 ] - [ 0.0000874300000000, -0.0000168500000000, -0.0000749900000000 ] - [ 0.0001725200000000, 0.0002317000000000, 0.0000533500000000 ] - [ -0.0000508800000000, 0.0000601300000000, 0.0000646200000000 ] - [ 0.0000747500000000, -0.0002319000000000, 0.0000711000000000 ] - [ -0.0000691600000000, -0.0000112600000000, 0.0000360800000000 ] - [ -0.0017203400000000, 0.0135549100000000, 0.0050245800000000 ] - [ -0.0040130500000000, -0.0109827900000000, -0.0029839000000000 ] - [ 0.0000634900000000, 0.0000750400000000, -0.0002467200000000 ] - [ 0.0025290200000000, 0.0003574800000000, 0.0014768800000000 ] - [ 0.0002700700000000, 0.0008464200000000, -0.0003766400000000 ] - [ 0.0026089000000000, 0.0206022000000000, 0.0014036600000000 ] - [ -0.0187098100000000, 0.0498472100000000, 0.0242608800000000 ] - [ 0.0000520600000000, 0.0000415700000000, -0.0000416800000000 ] - [ -0.0001211900000000, 0.0000017000000000, 0.0002688600000000 ] - [ -0.0001096700000000, 0.0001194100000000, 0.0004483700000000 ] - [ 0.0002229400000000, 0.0000079700000000, 0.0005199400000000 ] - [ 0.0000952700000000, -0.0000307800000000, -0.0000298800000000 ] - [ -0.0001076300000000, -0.0001192000000000, 0.0004455400000000 ] - [ 0.0001699300000000, -0.0000079400000000, 0.0003435800000000 ] - [ 0.0000310200000000, 0.0000005000000000, -0.0001552500000000 ] - [ 0.0186713200000000, 0.0334180600000000, 0.0176501200000000 ] - [ 0.0000476100000000, -0.0000945400000000, 0.0000683600000000 ] - [ 0.0001298200000000, -0.0000036800000000, 0.0004772600000000 ] - [ -0.0019650500000000, -0.0019729000000000, 0.0034555900000000 ] - [ -0.0015627400000000, 0.0002089500000000, 0.0009445200000000 ] - [ 0.0002286900000000, 0.0002217000000000, -0.0017823800000000 ] - [ 0.0001322500000000, -0.0000038600000000, 0.0004873300000000 ] - [ -0.0006361800000000, 0.0000317400000000, -0.0007018100000000 ] - [ -0.0000029200000000, 0.0000464100000000, 0.0001296300000000 ] - [ -0.0001351700000000, 0.0000064500000000, -0.0001788300000000 ] - [ -0.0000074000000000, -0.0000430900000000, 0.0001200500000000 ] - [ -0.0003430300000000, 0.0000011900000000, -0.0004929300000000 ] - [ 0.0000611400000000, 0.0005349700000000, -0.0004083300000000 ] - [ -0.0002097500000000, 0.0000026200000000, -0.0000174400000000 ] - [ -0.0002150100000000, -0.0000008600000000, -0.0000448900000000 ] - [ -0.0000530900000000, 0.0000212600000000, -0.0001336600000000 ] - [ -0.0004906400000000, 0.0016399500000000, 0.0031902500000000 ] - [ 0.0000127200000000, -0.0003996600000000, -0.0004146400000000 ] - [ -0.0004440700000000, 0.0001069700000000, 0.0002618900000000 ] - [ -0.0000617200000000, -0.0000266000000000, -0.0001508000000000 ] - [ -0.0037160200000000, -0.1839541600000000, -0.0578923200000000 ] - [ -0.0015367400000000, 0.0014281900000000, -0.0067723000000000 ] - [ 0.0007193200000000, -0.0002132600000000, -0.0002306900000000 ] - [ 0.0013574600000000, 0.0521094200000000, 0.0018633300000000 ] - [ -0.0003569500000000, 0.0005691600000000, 0.0000097300000000 ] - [ 0.0002641800000000, 0.0000945400000000, -0.0004329800000000 ] - [ 0.0050003300000000, 0.0023231300000000, -0.0003242600000000 ] - [ 0.0007284300000000, 0.0020811700000000, -0.0013324800000000 ] - [ 0.0000357500000000, -0.0001188700000000, 0.0000038800000000 ] - [ -0.0052357900000000, 0.0065990700000000, -0.0104293200000000 ] - [ -0.0098903200000000, 0.0059232300000000, -0.0007373500000000 ] - [ 0.0017202900000000, -0.0036066000000000, -0.0026843300000000 ] - [ 0.0001357400000000, -0.0000076700000000, 0.0002313400000000 ] - [ -0.0000450500000000, -0.0006196800000000, 0.0000558900000000 ] - [ -0.0013269300000000, 0.0011774900000000, 0.0006972800000000 ] - [ -0.0006029900000000, -0.0001556600000000, 0.0001272800000000 ] - [ 0.0000208400000000, 0.0001651000000000, 0.0002199600000000 ] - [ 0.0004445500000000, 0.0000099300000000, 0.0001240000000000 ] - [ 0.0002293800000000, 0.0000503400000000, -0.0004202200000000 ] - [ -0.0000449200000000, 0.0000002500000000, 0.0003967800000000 ] - [ -0.0000010000000000, 0.0002207000000000, 0.0004578800000000 ] - [ 0.0000205500000000, -0.0001653700000000, 0.0002224900000000 ] - [ 0.0000667200000000, -0.0000006500000000, 0.0005753000000000 ] - [ -0.0000008800000000, -0.0002238900000000, 0.0004766600000000 ] - [ 0.0000535900000000, 0.0000003900000000, 0.0003535800000000 ] - [ 0.0002035000000000, 0.0000009800000000, 0.0000598500000000 ] - [ -0.0000667700000000, 0.0001217300000000, 0.0004980600000000 ] - [ -0.0000681000000000, -0.0001209100000000, 0.0004992400000000 ] - [ -0.0000095200000000, 0.0000446000000000, 0.0001223300000000 ] - [ -0.0000802600000000, 0.0000030400000000, -0.0002293700000000 ] - [ -0.0000028500000000, -0.0000455500000000, 0.0001278900000000 ] - [ -0.0003572400000000, 0.0000015000000000, -0.0004877300000000 ] - [ -0.0002769500000000, -0.0001987000000000, -0.0002283700000000 ] - [ -0.0001683400000000, -0.0000066900000000, 0.0000038100000000 ] - [ -0.0002197600000000, -0.0000009000000000, -0.0000459200000000 ] - [ -0.0001065000000000, -0.0000006900000000, -0.0001347800000000 ] - [ -0.0003558800000000, -0.0001308200000000, -0.0007722300000000 ] - [ -0.0001543100000000, 0.0001718400000000, -0.0003677900000000 ] - [ -0.0000808400000000, -0.0000104000000000, -0.0003080500000000 ] - [ -0.0000919100000000, -0.0000035000000000, -0.0001599900000000 ] - [ 0.0000059300000000, 0.0017279200000000, -0.0001237700000000 ] - [ -0.0002986900000000, 0.0001078900000000, 0.0003314500000000 ] - [ 0.0002283900000000, 0.0000179800000000, 0.0001344100000000 ] - [ 0.0000556000000000, -0.0012983700000000, -0.0001051700000000 ] - [ -0.0015592400000000, -0.0040185000000000, 0.0037481900000000 ] - [ 0.0069064800000000, 0.0063747700000000, 0.0192598600000000 ] - [ 0.0170624500000000, 0.0049471600000000, -0.0007594500000000 ] - [ -0.0002368700000000, -0.0005218400000000, 0.0000337100000000 ] - [ -0.0001130200000000, 0.0008405600000000, -0.0001555500000000 ] - [ 0.0001082900000000, -0.0003439700000000, 0.0003987600000000 ] - [ -0.0072825100000000, 0.0016864400000000, 0.0004158300000000 ] - [ -0.0004256300000000, 0.0019327600000000, -0.0005945800000000 ] - [ 0.0000547400000000, -0.0000196300000000, 0.0002415400000000 ] - [ -0.0001223900000000, 0.0000770600000000, 0.0003062000000000 ] - [ -0.0004314800000000, -0.0016060500000000, -0.0007638800000000 ] - [ -0.0001803000000000, 0.0000092400000000, -0.0002141600000000 ] - [ 0.0000185900000000, 0.0001653900000000, 0.0002167900000000 ] - [ 0.0003757300000000, 0.0000131400000000, 0.0001166900000000 ] - [ 0.0000631300000000, -0.0000078100000000, -0.0000808900000000 ] - [ -0.0000444700000000, 0.0000001600000000, 0.0003977900000000 ] - [ -0.0000001100000000, 0.0001774400000000, 0.0004659900000000 ] - [ 0.0000178000000000, -0.0001656600000000, 0.0002204100000000 ] - [ 0.0000622900000000, -0.0000007200000000, 0.0005769700000000 ] - [ -0.0000218800000000, -0.0001788000000000, 0.0004884600000000 ] - [ 0.0000533700000000, 0.0000005200000000, 0.0003542600000000 ] - [ 0.0002033100000000, 0.0000008500000000, 0.0000575700000000 ] - [ -0.0000679900000000, 0.0001215000000000, 0.0004990800000000 ] - [ -0.0000669100000000, -0.0001210800000000, 0.0004981600000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001450600000000, 0.0000010100000000, 0.0003305800000000 ] - [ -0.0000431100000000, -0.0000034600000000, -0.0003351000000000 ] - [ 0.0000658900000000, 0.0000609300000000, -0.0000045100000000 ] - [ -0.0002722200000000, 0.0001276000000000, -0.0002415200000000 ] - [ 0.0000937800000000, -0.0000520500000000, -0.0000153000000000 ] - [ 0.0000995900000000, 0.0028342200000000, -0.0005955500000000 ] - [ 0.0001009900000000, -0.0000054000000000, 0.0004144900000000 ] - [ 0.0010198100000000, -0.0027274400000000, 0.0006162200000000 ] - [ -0.0001200300000000, 0.0000104300000000, 0.0000225900000000 ] - [ 0.0010864900000000, -0.0000724500000000, 0.0010359000000000 ] - [ 0.0011694200000000, -0.0031120800000000, -0.0001759900000000 ] - [ -0.0000592200000000, -0.0000305700000000, -0.0004159100000000 ] - [ -0.0015128400000000, 0.0018899200000000, 0.0033676200000000 ] - [ -0.0024233500000000, -0.0003294900000000, -0.0019522500000000 ] - [ -0.0004998500000000, 0.0031769600000000, -0.0004281400000000 ] - [ -0.0016790300000000, -0.0002911400000000, -0.0019286300000000 ] - [ 0.0000870200000000, 0.0002755100000000, 0.0001272200000000 ] - [ -0.0001232100000000, -0.0000006200000000, 0.0003232700000000 ] - [ -0.0001108400000000, 0.0001157200000000, 0.0005040100000000 ] - [ 0.0001977900000000, -0.0000054400000000, 0.0005694400000000 ] - [ 0.0000105400000000, -0.0002754400000000, 0.0000159900000000 ] - [ -0.0001067500000000, -0.0001144300000000, 0.0005030600000000 ] - [ 0.0002054300000000, 0.0000117800000000, 0.0004082800000000 ] - [ 0.0000303000000000, -0.0000002000000000, -0.0000931700000000 ] - [ 0.0001389900000000, 0.0000016700000000, 0.0003264100000000 ] - [ -0.0000628700000000, -0.0000050800000000, -0.0003642200000000 ] - [ 0.0000898100000000, 0.0000518900000000, -0.0000178900000000 ] - [ -0.0002109200000000, -0.0000039400000000, -0.0006594600000000 ] - [ 0.0000723100000000, -0.0000617300000000, 0.0000036800000000 ] - [ -0.0002029800000000, -0.0002231900000000, -0.0000376800000000 ] - [ -0.0001461700000000, -0.0000577400000000, 0.0001002900000000 ] - [ -0.0001089700000000, 0.0002243800000000, -0.0000559900000000 ] - [ -0.0001268700000000, 0.0000115000000000, 0.0000873000000000 ] - [ 0.0020980800000000, -0.0128518300000000, -0.0057970400000000 ] - [ 0.0041147400000000, 0.0109318800000000, 0.0021780700000000 ] - [ 0.0000280800000000, -0.0000722000000000, -0.0001702900000000 ] - [ -0.0019143000000000, -0.0003554700000000, -0.0016984800000000 ] - [ -0.0002195000000000, -0.0008161500000000, -0.0002775800000000 ] - [ -0.0026704200000000, -0.0204799200000000, -0.0023218100000000 ] - [ 0.0178675800000000, -0.0480467100000000, -0.0228685000000000 ] - [ 0.0000633400000000, 0.0000438000000000, 0.0000485200000000 ] - [ -0.0001212700000000, -0.0000011100000000, 0.0003207300000000 ] - [ -0.0001076600000000, 0.0001161500000000, 0.0005022500000000 ] - [ 0.0001905100000000, -0.0000071800000000, 0.0005735500000000 ] - [ 0.0000209300000000, -0.0000535400000000, 0.0000369000000000 ] - [ -0.0001099200000000, -0.0001150300000000, 0.0005049100000000 ] - [ 0.0002247800000000, 0.0000084000000000, 0.0004169100000000 ] - [ 0.0000331300000000, -0.0000000100000000, -0.0000940000000000 ] - [ -0.0200275200000000, -0.0351626500000000, -0.0192481000000000 ] - [ 0.0000081400000000, 0.0000851900000000, -0.0000350800000000 ] - [ 0.0001338300000000, -0.0000022300000000, 0.0005478200000000 ] - [ 0.0019584900000000, 0.0019611200000000, -0.0040302000000000 ] - [ 0.0014150200000000, -0.0002156600000000, -0.0013761900000000 ] - [ -0.0001689700000000, -0.0002287200000000, 0.0018384900000000 ] - [ 0.0001314100000000, -0.0000020900000000, 0.0005374200000000 ] - [ 0.0006184800000000, -0.0000242900000000, 0.0001816700000000 ] - [ -0.0000124400000000, 0.0000278900000000, 0.0000861400000000 ] - [ -0.0000683100000000, -0.0000057200000000, -0.0003421800000000 ] - [ -0.0000084600000000, -0.0000300800000000, 0.0000953800000000 ] - [ -0.0003418500000000, -0.0000007200000000, -0.0005305700000000 ] - [ -0.0003223300000000, -0.0007613500000000, -0.0002648200000000 ] - [ -0.0001798000000000, -0.0000021900000000, 0.0000368800000000 ] - [ -0.0002245100000000, 0.0000013600000000, -0.0000859100000000 ] - [ -0.0001154000000000, -0.0000049400000000, -0.0001958500000000 ] - [ -0.0004106300000000, -0.0016238200000000, -0.0039669500000000 ] - [ -0.0002745600000000, 0.0006276800000000, -0.0002602800000000 ] - [ 0.0002865400000000, -0.0001024300000000, -0.0007198200000000 ] - [ -0.0001068000000000, 0.0000112700000000, -0.0001793900000000 ] - [ 0.0061485500000000, 0.1826318900000000, 0.0579700900000000 ] - [ 0.0019227400000000, -0.0014406600000000, 0.0065593500000000 ] - [ -0.0001384200000000, 0.0002096900000000, 0.0004469900000000 ] - [ -0.0013821400000000, -0.0514644900000000, -0.0019390000000000 ] - [ 0.0002467900000000, -0.0008677700000000, 0.0000306100000000 ] - [ -0.0003688600000000, -0.0000905000000000, 0.0005685800000000 ] - [ -0.0054168400000000, -0.0023128200000000, -0.0003655500000000 ] - [ -0.0008174500000000, -0.0017852400000000, 0.0013586200000000 ] - [ -0.0000729100000000, 0.0000309300000000, 0.0002909200000000 ] - [ 0.0055659200000000, -0.0066067600000000, 0.0100682500000000 ] - [ 0.0103646800000000, -0.0059355300000000, 0.0003084700000000 ] - [ -0.0018285600000000, 0.0035571500000000, 0.0015997000000000 ] - [ 0.0000827200000000, 0.0000081500000000, 0.0000795300000000 ] - [ 0.0000031600000000, 0.0007116100000000, 0.0002496700000000 ] - [ 0.0011387100000000, -0.0011312300000000, -0.0016895700000000 ] - [ 0.0002158200000000, 0.0001524500000000, -0.0005275900000000 ] - [ 0.0000195900000000, 0.0001608200000000, 0.0001821700000000 ] - [ 0.0003691600000000, -0.0000090900000000, 0.0001667400000000 ] - [ -0.0001035700000000, -0.0000478900000000, 0.0001510200000000 ] - [ -0.0000436700000000, 0.0000003600000000, 0.0003468300000000 ] - [ -0.0000111300000000, 0.0001523200000000, 0.0004521500000000 ] - [ 0.0000198800000000, -0.0001597500000000, 0.0001796300000000 ] - [ 0.0000664800000000, 0.0000011200000000, 0.0005308000000000 ] - [ -0.0000112800000000, -0.0001481100000000, 0.0004337500000000 ] - [ 0.0000608700000000, 0.0000001600000000, 0.0003224900000000 ] - [ 0.0001999800000000, -0.0000004600000000, 0.0000188000000000 ] - [ -0.0000724200000000, 0.0001277300000000, 0.0004656000000000 ] - [ -0.0000709900000000, -0.0001274100000000, 0.0004644500000000 ] - [ -0.0000062200000000, 0.0000296300000000, 0.0000931800000000 ] - [ -0.0001241200000000, -0.0000023300000000, -0.0002930300000000 ] - [ -0.0000125700000000, -0.0000277700000000, 0.0000875900000000 ] - [ -0.0003278700000000, -0.0000010500000000, -0.0005354900000000 ] - [ 0.0000125200000000, -0.0000284500000000, -0.0004382600000000 ] - [ -0.0002208300000000, 0.0000070300000000, 0.0000167800000000 ] - [ -0.0002198100000000, 0.0000015100000000, -0.0000844100000000 ] - [ -0.0000634300000000, 0.0000168000000000, -0.0001942500000000 ] - [ -0.0005503200000000, 0.0001289800000000, 0.0000296700000000 ] - [ -0.0001065200000000, 0.0000553900000000, -0.0003029200000000 ] - [ -0.0000854400000000, 0.0000107700000000, -0.0001506200000000 ] - [ -0.0000775800000000, -0.0000116800000000, -0.0001697800000000 ] - [ -0.0000595400000000, -0.0016499100000000, 0.0000110400000000 ] - [ 0.0006880200000000, -0.0001039000000000, -0.0005003200000000 ] - [ 0.0003477700000000, -0.0000171800000000, 0.0000808100000000 ] - [ -0.0001096600000000, 0.0012200700000000, -0.0000071600000000 ] - [ 0.0014096700000000, 0.0037828400000000, -0.0036130100000000 ] - [ -0.0069848200000000, -0.0064754000000000, -0.0190205600000000 ] - [ -0.0173484500000000, -0.0050398300000000, 0.0000695700000000 ] - [ 0.0001270400000000, 0.0008212300000000, 0.0000062900000000 ] - [ 0.0000714200000000, -0.0009320800000000, 0.0004609000000000 ] - [ 0.0001600600000000, 0.0003365100000000, -0.0008773700000000 ] - [ 0.0075767100000000, -0.0017017000000000, -0.0008397400000000 ] - [ 0.0002437600000000, -0.0020069000000000, -0.0004229600000000 ] - [ 0.0001637800000000, 0.0000194500000000, 0.0000682300000000 ] - [ 0.0000797700000000, 0.0000105100000000, -0.0000029500000000 ] - [ 0.0002489700000000, 0.0016779300000000, -0.0002549600000000 ] - [ -0.0002055000000000, -0.0000086300000000, -0.0001838500000000 ] - [ 0.0000219800000000, 0.0001605100000000, 0.0001853900000000 ] - [ 0.0004387000000000, -0.0000125400000000, 0.0001750800000000 ] - [ 0.0000658000000000, 0.0000080200000000, -0.0001896400000000 ] - [ -0.0000440000000000, 0.0000004000000000, 0.0003457900000000 ] - [ -0.0000105800000000, 0.0001958600000000, 0.0004439000000000 ] - [ 0.0000228000000000, -0.0001594800000000, 0.0001818200000000 ] - [ 0.0000710900000000, 0.0000012700000000, 0.0005290300000000 ] - [ 0.0000103500000000, -0.0001933200000000, 0.0004221200000000 ] - [ 0.0000611900000000, 0.0000000900000000, 0.0003218900000000 ] - [ 0.0001999900000000, -0.0000003000000000, 0.0000209700000000 ] - [ -0.0000711200000000, 0.0001278800000000, 0.0004646000000000 ] - [ -0.0000722400000000, -0.0001272300000000, 0.0004654500000000 ]- atom: 69 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0002083200000000, -0.0000051800000000, -0.0022571600000000 ] - [ 0.0001759500000000, 0.0000237900000000, -0.0027213300000000 ] - [ 0.0002734100000000, 0.0000521700000000, -0.0020602200000000 ] - [ 0.0013723900000000, -0.0005258100000000, -0.0027366600000000 ] - [ -0.0001348800000000, -0.0000511200000000, -0.0023463800000000 ] - [ 0.0031651500000000, 0.0009642000000000, -0.0035184200000000 ] - [ -0.0004997000000000, 0.0002080200000000, -0.0031183000000000 ] - [ -0.0012956100000000, -0.0006361100000000, -0.0074009600000000 ] - [ 0.0003428300000000, -0.0000407600000000, -0.0029508100000000 ] - [ -0.0011996400000000, -0.0001373400000000, 0.0055117600000000 ] - [ 0.0022380800000000, -0.0001515300000000, 0.0082638300000000 ] - [ 0.0006579100000000, -0.0002236900000000, -0.0032327200000000 ] - [ 0.0068144100000000, -0.0054289700000000, 0.0074550300000000 ] - [ -0.0053423300000000, -0.0009103400000000, -0.0030169700000000 ] - [ 0.0003051400000000, 0.0003299600000000, 0.0065321800000000 ] - [ -0.0015620400000000, -0.0000759600000000, 0.0058394700000000 ] - [ 0.0009209100000000, -0.0001801100000000, -0.0020230400000000 ] - [ -0.0000790400000000, -0.0000021700000000, -0.0018745400000000 ] - [ -0.0001327400000000, 0.0001236300000000, -0.0016950200000000 ] - [ 0.0003972100000000, -0.0000216300000000, -0.0020968300000000 ] - [ 0.0006579500000000, 0.0001773700000000, -0.0023367900000000 ] - [ -0.0000961000000000, -0.0001264500000000, -0.0017461100000000 ] - [ 0.0002225900000000, 0.0000330400000000, -0.0017178100000000 ] - [ 0.0000530000000000, 0.0000004500000000, -0.0026150400000000 ] - [ 0.0000877700000000, -0.0000063000000000, -0.0021504700000000 ] - [ -0.0002671200000000, 0.0000240900000000, -0.0023343900000000 ] - [ -0.0001048700000000, 0.0000509900000000, -0.0023104300000000 ] - [ -0.0018741300000000, -0.0001945700000000, -0.0024249100000000 ] - [ 0.0002458000000000, -0.0000527600000000, -0.0020957100000000 ] - [ 0.0004118800000000, -0.0000403700000000, 0.0004116400000000 ] - [ 0.0003134000000000, 0.0002515200000000, -0.0015540800000000 ] - [ -0.0000108600000000, 0.0000304500000000, 0.0004308600000000 ] - [ -0.0003621000000000, -0.0000344700000000, -0.0014492600000000 ] - [ 0.0086315600000000, 0.0090303000000000, 0.0180494000000000 ] - [ -0.0034245000000000, -0.0024983500000000, 0.0140691800000000 ] - [ 0.0001958100000000, -0.0002275000000000, -0.0016440200000000 ] - [ -0.0076250800000000, 0.0013631100000000, 0.0039249200000000 ] - [ 0.0028503400000000, -0.0026621200000000, -0.0017236400000000 ] - [ 0.0283748400000000, 0.0002296100000000, 0.0445529700000000 ] - [ -0.0057279600000000, 0.0188209000000000, 0.0416491400000000 ] - [ -0.0010615700000000, -0.0001377900000000, -0.0019254100000000 ] - [ -0.0001423000000000, -0.0000022400000000, -0.0019361700000000 ] - [ -0.0000989100000000, 0.0001272700000000, -0.0017467900000000 ] - [ -0.0000084800000000, -0.0000225000000000, -0.0019316200000000 ] - [ -0.0013251100000000, 0.0001463800000000, -0.0020638800000000 ] - [ -0.0001298600000000, -0.0001232800000000, -0.0016947100000000 ] - [ 0.0002120100000000, 0.0000327100000000, -0.0021699200000000 ] - [ 0.0000223500000000, 0.0000005600000000, -0.0027298800000000 ] - [ 0.0122276400000000, 0.0206826700000000, 0.0232078300000000 ] - [ 0.0002598700000000, 0.0002689100000000, 0.0000947100000000 ] - [ 0.0001770800000000, -0.0000004100000000, -0.0011753900000000 ] - [ 0.0039297700000000, 0.0029428500000000, -0.0031682600000000 ] - [ -0.0003848500000000, 0.0003663800000000, 0.0038257800000000 ] - [ 0.0003242700000000, 0.0006266500000000, -0.0052652100000000 ] - [ 0.0000896600000000, 0.0000014100000000, -0.0013179100000000 ] - [ -0.0019292100000000, 0.0000541700000000, 0.0005559000000000 ] - [ 0.0000533500000000, 0.0003199000000000, 0.0015072600000000 ] - [ -0.0003718400000000, 0.0000240300000000, 0.0014373000000000 ] - [ 0.0002350500000000, -0.0003081800000000, 0.0014795100000000 ] - [ -0.0006170500000000, 0.0000060800000000, 0.0009423800000000 ] - [ 0.0011672700000000, -0.0002542000000000, 0.0024033400000000 ] - [ 0.0001025400000000, -0.0000385800000000, 0.0015800600000000 ] - [ -0.0001633400000000, -0.0000054800000000, 0.0019047300000000 ] - [ -0.0000576500000000, -0.0001163000000000, 0.0017473900000000 ] - [ 0.0000178500000000, 0.0035095900000000, 0.0037161800000000 ] - [ 0.0009157700000000, 0.0002288000000000, 0.0017425200000000 ] - [ -0.0006688500000000, 0.0004182300000000, 0.0021856000000000 ] - [ -0.0000460100000000, 0.0001002300000000, 0.0016432900000000 ] - [ -0.0498619200000000, -0.0583769200000000, -0.1633482200000000 ] - [ 0.0050558000000000, -0.0082597100000000, 0.0109473200000000 ] - [ -0.0004354800000000, -0.0004512900000000, 0.0030125700000000 ] - [ -0.0028412800000000, -0.0022068000000000, -0.0141869600000000 ] - [ 0.0013079900000000, -0.0008486300000000, -0.0018746000000000 ] - [ -0.0001958900000000, -0.0003560500000000, -0.0030477300000000 ] - [ 0.0014917500000000, 0.0008407700000000, -0.0062685900000000 ] - [ -0.0027247000000000, -0.0001561000000000, -0.0028806000000000 ] - [ -0.0009772000000000, 0.0000352400000000, 0.0013836400000000 ] - [ 0.0079475800000000, -0.0083268000000000, 0.0079421300000000 ] - [ 0.0003577600000000, -0.0001643400000000, -0.0087531400000000 ] - [ -0.0121301800000000, 0.0016570200000000, 0.0058558400000000 ] - [ 0.0005155300000000, 0.0000948200000000, 0.0020331500000000 ] - [ 0.0009137700000000, -0.0001228000000000, 0.0024468100000000 ] - [ -0.0029330600000000, 0.0010596400000000, -0.0034669400000000 ] - [ -0.0013385600000000, 0.0002647000000000, 0.0017277400000000 ] - [ -0.0000305600000000, 0.0001693500000000, 0.0017547600000000 ] - [ 0.0000464600000000, -0.0000272100000000, 0.0016003000000000 ] - [ -0.0006275700000000, -0.0001005800000000, 0.0016935900000000 ] - [ -0.0000445800000000, 0.0000014100000000, 0.0022952200000000 ] - [ -0.0001133600000000, 0.0001223000000000, 0.0022138300000000 ] - [ -0.0000285500000000, -0.0001664600000000, 0.0017446800000000 ] - [ 0.0000462900000000, 0.0000033400000000, 0.0021694500000000 ] - [ -0.0000891200000000, -0.0001137700000000, 0.0021435400000000 ] - [ -0.0002803700000000, -0.0000007700000000, 0.0017010500000000 ] - [ 0.0001909600000000, -0.0000020600000000, 0.0017545200000000 ] - [ 0.0001193100000000, -0.0001741600000000, 0.0018814600000000 ] - [ 0.0000732100000000, 0.0001627600000000, 0.0018245600000000 ] - [ 0.0002291400000000, 0.0003116400000000, 0.0014943900000000 ] - [ 0.0002530700000000, 0.0000302700000000, 0.0015724500000000 ] - [ 0.0000581400000000, -0.0003171700000000, 0.0014955100000000 ] - [ -0.0006881600000000, 0.0000052700000000, 0.0008062100000000 ] - [ -0.0011716300000000, -0.0004602300000000, 0.0006800000000000 ] - [ -0.0006304600000000, -0.0000305800000000, 0.0014930900000000 ] - [ -0.0002672300000000, -0.0000047700000000, 0.0017006200000000 ] - [ -0.0001592400000000, -0.0000435800000000, 0.0010963100000000 ] - [ -0.0008436500000000, -0.0004227100000000, -0.0014606900000000 ] - [ -0.0006845400000000, 0.0003290700000000, 0.0001239200000000 ] - [ 0.0003160100000000, -0.0000296900000000, 0.0000149700000000 ] - [ -0.0000985600000000, 0.0000237200000000, 0.0009929700000000 ] - [ 0.0012620400000000, -0.0000215500000000, -0.0036431800000000 ] - [ -0.0010672400000000, 0.0005483300000000, -0.0020920400000000 ] - [ 0.0003862700000000, 0.0000543300000000, 0.0002485100000000 ] - [ 0.0008595300000000, -0.0000043600000000, -0.0036454100000000 ] - [ -0.0140419000000000, 0.0039266600000000, 0.0139039100000000 ] - [ 0.0131035900000000, 0.0240099600000000, 0.0238650100000000 ] - [ 0.0023644000000000, 0.0012668700000000, -0.0116483200000000 ] - [ 0.0015932700000000, 0.0008360800000000, -0.0015847700000000 ] - [ 0.0012565800000000, 0.0002461500000000, 0.0034434600000000 ] - [ -0.0011528300000000, 0.0009057500000000, -0.0031042200000000 ] - [ 0.0042875000000000, -0.0023278100000000, -0.0083713800000000 ] - [ 0.0040931100000000, 0.0003711000000000, -0.0034467400000000 ] - [ -0.0002008800000000, 0.0000631700000000, 0.0015694600000000 ] - [ -0.0005167900000000, 0.0001425700000000, 0.0005181400000000 ] - [ 0.0035713200000000, -0.0003048600000000, -0.0024679700000000 ] - [ 0.0006609700000000, 0.0000238000000000, 0.0004668600000000 ] - [ 0.0000781200000000, 0.0001681200000000, 0.0017845500000000 ] - [ 0.0006703000000000, -0.0000400200000000, 0.0018191800000000 ] - [ 0.0006737700000000, 0.0000049500000000, 0.0007083000000000 ] - [ -0.0000392600000000, 0.0000014400000000, 0.0023119400000000 ] - [ 0.0000905200000000, 0.0001311900000000, 0.0018087500000000 ] - [ 0.0000797800000000, -0.0001645500000000, 0.0017713700000000 ] - [ 0.0000737300000000, 0.0000032300000000, 0.0020468500000000 ] - [ 0.0001503200000000, -0.0001243200000000, 0.0017432800000000 ] - [ -0.0002732900000000, -0.0000008300000000, 0.0017126500000000 ] - [ 0.0002100300000000, -0.0000022000000000, 0.0018801700000000 ] - [ 0.0000724900000000, -0.0001630100000000, 0.0018265400000000 ] - [ 0.0001202300000000, 0.0001738700000000, 0.0018790000000000 ]- atom: 69 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0000801700000000, 0.0000055100000000, 0.0028498700000000 ] - [ -0.0003014000000000, -0.0000236700000000, 0.0019433900000000 ] - [ -0.0001144200000000, 0.0000269800000000, 0.0019857300000000 ] - [ -0.0016056300000000, 0.0005287900000000, 0.0020248400000000 ] - [ 0.0002951900000000, -0.0000276000000000, 0.0022737700000000 ] - [ -0.0032317900000000, -0.0009647100000000, 0.0035336600000000 ] - [ 0.0003000100000000, -0.0002092800000000, 0.0032867400000000 ] - [ 0.0012425500000000, 0.0006344900000000, 0.0074341500000000 ] - [ -0.0005420200000000, 0.0000409900000000, 0.0030745700000000 ] - [ 0.0011909700000000, 0.0001419500000000, -0.0055935600000000 ] - [ -0.0020524700000000, 0.0000029700000000, -0.0089560600000000 ] - [ -0.0005610500000000, 0.0002214100000000, 0.0028079400000000 ] - [ -0.0062201900000000, 0.0054463900000000, -0.0077356300000000 ] - [ 0.0053665500000000, 0.0008992300000000, 0.0023622700000000 ] - [ -0.0001168400000000, -0.0001795800000000, -0.0072274900000000 ] - [ 0.0022848000000000, 0.0000802500000000, -0.0061229700000000 ] - [ -0.0007985200000000, 0.0002649800000000, 0.0020304400000000 ] - [ -0.0001639600000000, 0.0000023400000000, 0.0024612900000000 ] - [ -0.0000845400000000, 0.0001106600000000, 0.0026426200000000 ] - [ 0.0000179800000000, 0.0000217600000000, 0.0031872200000000 ] - [ -0.0005371600000000, -0.0002618200000000, 0.0023426600000000 ] - [ -0.0001206500000000, -0.0001074700000000, 0.0026934900000000 ] - [ 0.0001714900000000, -0.0000327700000000, 0.0024770800000000 ] - [ 0.0000113200000000, -0.0000002000000000, 0.0023609700000000 ] - [ 0.0002015600000000, 0.0000065200000000, 0.0027425500000000 ] - [ 0.0001441300000000, -0.0000239300000000, 0.0015550400000000 ] - [ 0.0002650800000000, 0.0000281700000000, 0.0022374600000000 ] - [ 0.0016556300000000, 0.0001963900000000, 0.0017150400000000 ] - [ -0.0000867100000000, -0.0000259500000000, 0.0020215100000000 ] - [ -0.0004504600000000, 0.0000484800000000, -0.0004102800000000 ] - [ -0.0005135400000000, -0.0002521800000000, 0.0017141000000000 ] - [ -0.0000263100000000, -0.0000381100000000, -0.0004306500000000 ] - [ 0.0001673600000000, 0.0000347400000000, 0.0015673100000000 ] - [ -0.0082362500000000, -0.0084120500000000, -0.0187862400000000 ] - [ 0.0036218900000000, 0.0023532500000000, -0.0146552400000000 ] - [ -0.0001038100000000, 0.0002264900000000, 0.0012291400000000 ] - [ 0.0082749600000000, -0.0013792300000000, -0.0041959200000000 ] - [ -0.0027866900000000, 0.0026529300000000, 0.0010778500000000 ] - [ -0.0259880300000000, -0.0002597500000000, -0.0441990000000000 ] - [ 0.0057747500000000, -0.0179386400000000, -0.0415685900000000 ] - [ 0.0011723400000000, 0.0002228800000000, 0.0019327400000000 ] - [ -0.0001011100000000, 0.0000024600000000, 0.0025227600000000 ] - [ -0.0001178200000000, 0.0001072900000000, 0.0026941700000000 ] - [ 0.0004209600000000, 0.0000226000000000, 0.0030227600000000 ] - [ 0.0014333000000000, -0.0002309300000000, 0.0020695600000000 ] - [ -0.0000874200000000, -0.0001105600000000, 0.0026423500000000 ] - [ 0.0001826900000000, -0.0000321200000000, 0.0029264300000000 ] - [ 0.0000417900000000, -0.0000003500000000, 0.0024764500000000 ] - [ -0.0127635000000000, -0.0213956900000000, -0.0237795200000000 ] - [ -0.0002014800000000, -0.0002739400000000, -0.0000526100000000 ] - [ 0.0000868300000000, -0.0000058200000000, 0.0021993200000000 ] - [ -0.0039216100000000, -0.0029155900000000, 0.0026443100000000 ] - [ 0.0002399800000000, -0.0003784600000000, -0.0042768400000000 ] - [ -0.0002625100000000, -0.0006266400000000, 0.0052846400000000 ] - [ 0.0001737400000000, -0.0000075900000000, 0.0023409600000000 ] - [ 0.0018988900000000, -0.0000462700000000, -0.0010605700000000 ] - [ -0.0000684600000000, -0.0002461800000000, -0.0012883400000000 ] - [ 0.0001692100000000, -0.0000238900000000, -0.0019559900000000 ] - [ -0.0002512500000000, 0.0002348600000000, -0.0012606600000000 ] - [ -0.0000675900000000, -0.0000059800000000, -0.0019625800000000 ] - [ -0.0014348200000000, 0.0000294600000000, -0.0030835900000000 ] - [ -0.0004944800000000, 0.0000391700000000, -0.0015583900000000 ] - [ -0.0002762800000000, 0.0000057200000000, -0.0020327000000000 ] - [ -0.0001105800000000, 0.0001317900000000, -0.0020761200000000 ] - [ -0.0009242000000000, -0.0035508600000000, -0.0044931700000000 ] - [ -0.0011801600000000, -0.0000029100000000, -0.0024153500000000 ] - [ 0.0005087300000000, -0.0004189000000000, -0.0026434800000000 ] - [ -0.0001224700000000, -0.0001152400000000, -0.0019715000000000 ] - [ 0.0480079800000000, 0.0576694300000000, 0.1622913600000000 ] - [ -0.0047338100000000, 0.0083998900000000, -0.0113044700000000 ] - [ 0.0010188800000000, 0.0004515600000000, -0.0027987700000000 ] - [ 0.0027834400000000, 0.0019465800000000, 0.0140531000000000 ] - [ -0.0014185700000000, 0.0005537300000000, 0.0019335100000000 ] - [ 0.0000925400000000, 0.0003535800000000, 0.0031556600000000 ] - [ -0.0018153200000000, -0.0008299800000000, 0.0055877600000000 ] - [ 0.0026338600000000, 0.0004544700000000, 0.0029540700000000 ] - [ 0.0009319800000000, -0.0001217400000000, -0.0010837500000000 ] - [ -0.0075790500000000, 0.0081806300000000, -0.0083085800000000 ] - [ -0.0000821000000000, 0.0001907600000000, 0.0083003500000000 ] - [ 0.0118139300000000, -0.0017076000000000, -0.0068103800000000 ] - [ -0.0002946500000000, -0.0000933500000000, -0.0017187100000000 ] - [ -0.0009512500000000, 0.0002088400000000, -0.0021421000000000 ] - [ 0.0027491100000000, -0.0009936000000000, 0.0024223500000000 ] - [ 0.0009428900000000, -0.0002646400000000, -0.0021252100000000 ] - [ 0.0000702600000000, 0.0001555000000000, -0.0013506100000000 ] - [ 0.0007662800000000, 0.0000273200000000, -0.0013094800000000 ] - [ 0.0007508700000000, 0.0001014800000000, -0.0019635100000000 ] - [ -0.0000440600000000, -0.0000010700000000, -0.0015487400000000 ] - [ 0.0001003500000000, 0.0002508500000000, -0.0013016500000000 ] - [ 0.0000683300000000, -0.0001582500000000, -0.0013407200000000 ] - [ 0.0000876000000000, -0.0000031400000000, -0.0010612600000000 ] - [ 0.0000763900000000, -0.0002589200000000, -0.0012320200000000 ] - [ 0.0003936900000000, 0.0000009900000000, -0.0010234400000000 ] - [ 0.0002125100000000, 0.0000022100000000, -0.0016731200000000 ] - [ -0.0002579200000000, 0.0004222800000000, -0.0009160900000000 ] - [ -0.0002117500000000, -0.0004103600000000, -0.0008593200000000 ] - [ -0.0002451400000000, -0.0002378900000000, -0.0012756800000000 ] - [ -0.0004586800000000, -0.0000302600000000, -0.0020926900000000 ] - [ -0.0000733000000000, 0.0002436700000000, -0.0012768900000000 ] - [ 0.0000035600000000, -0.0000052000000000, -0.0018257500000000 ] - [ 0.0009148100000000, 0.0002347100000000, -0.0013472000000000 ] - [ 0.0002418300000000, 0.0000310000000000, -0.0014702200000000 ] - [ -0.0001720100000000, 0.0000051400000000, -0.0018274500000000 ] - [ -0.0000095500000000, 0.0000587000000000, -0.0014221900000000 ] - [ -0.0000602000000000, 0.0004254800000000, 0.0007294400000000 ] - [ 0.0004252600000000, -0.0001020700000000, -0.0007881800000000 ] - [ -0.0004835300000000, 0.0000301100000000, -0.0004656700000000 ] - [ -0.0000704500000000, -0.0000383000000000, -0.0013184200000000 ] - [ -0.0013154300000000, 0.0001038900000000, 0.0035214500000000 ] - [ 0.0014648700000000, -0.0005519800000000, 0.0019401300000000 ] - [ 0.0001890700000000, -0.0000544400000000, -0.0000252200000000 ] - [ -0.0009111600000000, -0.0000791600000000, 0.0035258700000000 ] - [ 0.0141431600000000, -0.0042526100000000, -0.0140510200000000 ] - [ -0.0129555900000000, -0.0235403500000000, -0.0233025700000000 ] - [ -0.0028900300000000, -0.0013614600000000, 0.0109213100000000 ] - [ -0.0017063500000000, -0.0005406500000000, 0.0016392900000000 ] - [ -0.0012895300000000, -0.0003299100000000, -0.0031255500000000 ] - [ 0.0014107600000000, -0.0008990000000000, 0.0026009300000000 ] - [ -0.0038908400000000, 0.0023068000000000, 0.0079486300000000 ] - [ -0.0042420400000000, -0.0004335900000000, 0.0023942700000000 ] - [ 0.0004175100000000, -0.0000626300000000, -0.0012585200000000 ] - [ 0.0004734200000000, -0.0000541400000000, -0.0002246600000000 ] - [ -0.0037330800000000, 0.0003686700000000, 0.0014272000000000 ] - [ -0.0010430900000000, -0.0000232100000000, -0.0008708000000000 ] - [ -0.0000376800000000, 0.0001567700000000, -0.0013803100000000 ] - [ 0.0001460000000000, 0.0000397800000000, -0.0015262700000000 ] - [ -0.0005416300000000, -0.0000049000000000, -0.0009823200000000 ] - [ -0.0000490700000000, -0.0000011900000000, -0.0015657200000000 ] - [ -0.0001015000000000, 0.0002420100000000, -0.0008987700000000 ] - [ -0.0000392500000000, -0.0001601700000000, -0.0013673000000000 ] - [ 0.0000605200000000, -0.0000029400000000, -0.0009394100000000 ] - [ -0.0001611400000000, -0.0002481800000000, -0.0008336100000000 ] - [ 0.0003869200000000, 0.0000011000000000, -0.0010350900000000 ] - [ 0.0001932600000000, 0.0000023800000000, -0.0017983200000000 ] - [ -0.0002110500000000, 0.0004110100000000, -0.0008612600000000 ] - [ -0.0002587700000000, -0.0004215000000000, -0.0009137600000000 ]- atom: 70 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0003334000000000, 0.0000000000000000, 0.0006366000000000 ] - [ 0.0000525000000000, 0.0000000000000000, 0.0002556900000000 ] - [ -0.0007177900000000, -0.0002712800000000, 0.0005248700000000 ] - [ -0.0025907000000000, 0.0000000000000000, 0.0021934000000000 ] - [ 0.0010793100000000, -0.0000341500000000, -0.0005349700000000 ] - [ 0.0255612200000000, -0.0024069100000000, 0.0020221200000000 ] - [ 0.0045447000000000, 0.0000000000000000, -0.0013334700000000 ] - [ 0.0255612200000000, 0.0024069100000000, 0.0020221200000000 ] - [ 0.0019590100000000, 0.0000000000000000, 0.0049884000000000 ] - [ -0.0057732600000000, 0.0000000000000000, 0.0060979200000000 ] - [ -0.0014549300000000, -0.0025395500000000, 0.0033736700000000 ] - [ 0.0003290700000000, 0.0000000000000000, -0.0003526100000000 ] - [ -0.0092064400000000, 0.0000000000000000, -0.0041151300000000 ] - [ -0.0004794700000000, 0.0000000000000000, -0.0011195000000000 ] - [ -0.0014549300000000, 0.0025395500000000, 0.0033736700000000 ] - [ -0.0038834000000000, 0.0000000000000000, 0.0001015400000000 ] - [ 0.0002714200000000, 0.0000857800000000, 0.0002729500000000 ] - [ -0.0001824200000000, 0.0000000000000000, 0.0004105300000000 ] - [ -0.0001418400000000, 0.0001198000000000, 0.0006317200000000 ] - [ 0.0002708500000000, 0.0000000000000000, 0.0006802400000000 ] - [ 0.0002714200000000, -0.0000857800000000, 0.0002729500000000 ] - [ -0.0000702300000000, -0.0001070300000000, 0.0005339200000000 ] - [ 0.0001125000000000, 0.0000000000000000, 0.0005565900000000 ] - [ -0.0000575800000000, 0.0000000000000000, 0.0000317300000000 ] - [ -0.0000690000000000, 0.0000000000000000, 0.0002100400000000 ] - [ -0.0005459900000000, 0.0000000000000000, -0.0008104800000000 ] - [ 0.0010793100000000, 0.0000341500000000, -0.0005349700000000 ] - [ -0.0006926300000000, 0.0000000000000000, -0.0069071700000000 ] - [ -0.0007177900000000, 0.0002712800000000, 0.0005248700000000 ] - [ -0.0082031700000000, -0.0004060100000000, -0.0043067300000000 ] - [ -0.0035284700000000, 0.0000000000000000, -0.0001016900000000 ] - [ -0.0082031700000000, 0.0004060100000000, -0.0043067300000000 ] - [ -0.0012259400000000, 0.0000000000000000, -0.0014098700000000 ] - [ 0.0202367300000000, 0.0000000000000000, -0.0077518900000000 ] - [ -0.0005505200000000, -0.0000970700000000, -0.0035909000000000 ] - [ -0.0002293300000000, 0.0000000000000000, 0.0001625600000000 ] - [ 0.0774477100000000, 0.0000000000000000, -0.0156038900000000 ] - [ 0.0005356000000000, 0.0000000000000000, 0.0009107900000000 ] - [ -0.0005505200000000, 0.0000970700000000, -0.0035909000000000 ] - [ 0.0081841500000000, 0.0000000000000000, 0.0006280200000000 ] - [ -0.0001593300000000, -0.0000044900000000, -0.0000408500000000 ] - [ -0.0000703100000000, 0.0000000000000000, 0.0003967500000000 ] - [ -0.0000702300000000, 0.0001070300000000, 0.0005339200000000 ] - [ 0.0001440900000000, 0.0000000000000000, 0.0006726600000000 ] - [ -0.0001593300000000, 0.0000044900000000, -0.0000408500000000 ] - [ -0.0001418400000000, -0.0001198000000000, 0.0006317200000000 ] - [ 0.0002814400000000, 0.0000000000000000, 0.0004342700000000 ] - [ 0.0001234400000000, 0.0000000000000000, 0.0000221900000000 ] - [ 0.0078893100000000, 0.0000000000000000, 0.0008806700000000 ] - [ -0.0003180900000000, 0.0000000000000000, 0.0005292400000000 ] - [ 0.0001178400000000, 0.0000000000000000, 0.0006408200000000 ] - [ 0.0013652500000000, 0.0000000000000000, -0.0005886700000000 ] - [ -0.0060920400000000, 0.0000000000000000, 0.0000980600000000 ] - [ 0.0003885900000000, 0.0000000000000000, -0.0004620500000000 ] - [ 0.0001469900000000, 0.0000000000000000, 0.0005596700000000 ] - [ -0.0013393900000000, 0.0000000000000000, -0.0001783000000000 ] - [ -0.0001345600000000, 0.0000359800000000, -0.0001796100000000 ] - [ 0.0002509200000000, 0.0000000000000000, -0.0008775400000000 ] - [ 0.0001172000000000, -0.0000611600000000, 0.0003526600000000 ] - [ -0.0006662900000000, 0.0000000000000000, -0.0005283000000000 ] - [ -0.0041030100000000, -0.0042068500000000, 0.0054281200000000 ] - [ -0.0004410400000000, 0.0000000000000000, 0.0013799900000000 ] - [ -0.0005708500000000, 0.0000000000000000, -0.0002777100000000 ] - [ -0.0018019800000000, 0.0006501000000000, -0.0007385000000000 ] - [ -0.0094441100000000, 0.0000000000000000, 0.0008866400000000 ] - [ -0.0041030100000000, 0.0042068500000000, 0.0054281200000000 ] - [ -0.0032259800000000, 0.0000000000000000, -0.0022417500000000 ] - [ -0.0018019800000000, -0.0006501000000000, -0.0007385000000000 ] - [ -0.0035955600000000, -0.0016765900000000, 0.0053705400000000 ] - [ -0.2073380800000000, 0.0000000000000000, 0.0268320300000000 ] - [ 0.0046898200000000, 0.0000000000000000, -0.0213125800000000 ] - [ -0.0035955600000000, 0.0016765900000000, 0.0053705400000000 ] - [ 0.0136523200000000, -0.0082419400000000, -0.0004193200000000 ] - [ 0.0006080800000000, 0.0000000000000000, -0.0010117700000000 ] - [ -0.0010307500000000, 0.0000000000000000, -0.0029435600000000 ] - [ 0.0226576600000000, 0.0202941200000000, 0.0030570000000000 ] - [ -0.0000603800000000, -0.0000061400000000, -0.0003175600000000 ] - [ 0.0002318000000000, 0.0000000000000000, 0.0013047100000000 ] - [ 0.0027389900000000, 0.0000000000000000, 0.0038609900000000 ] - [ -0.0018059500000000, 0.0004822400000000, -0.0017759500000000 ] - [ 0.0001543500000000, 0.0000000000000000, 0.0002118100000000 ] - [ 0.0000211100000000, 0.0000611100000000, 0.0004773500000000 ] - [ -0.0018059500000000, -0.0004822400000000, -0.0017759500000000 ] - [ -0.0005110600000000, 0.0000000000000000, -0.0004446600000000 ] - [ 0.0000160400000000, 0.0001632300000000, 0.0001196400000000 ] - [ 0.0003607100000000, 0.0000000000000000, -0.0000114000000000 ] - [ -0.0002383400000000, 0.0000000000000000, -0.0002688400000000 ] - [ -0.0000143300000000, 0.0000000000000000, 0.0003557400000000 ] - [ -0.0001078500000000, 0.0001891100000000, 0.0003867700000000 ] - [ 0.0000160400000000, -0.0001632300000000, 0.0001196400000000 ] - [ 0.0000433900000000, 0.0000000000000000, 0.0004966000000000 ] - [ -0.0001078500000000, -0.0001891100000000, 0.0003867700000000 ] - [ 0.0000933000000000, 0.0000000000000000, 0.0002988500000000 ] - [ 0.0002240400000000, 0.0000000000000000, -0.0000723100000000 ] - [ -0.0001231700000000, 0.0001375400000000, 0.0004245100000000 ] - [ -0.0000385500000000, -0.0001467300000000, 0.0003965000000000 ] - [ 0.0001172000000000, 0.0000611600000000, 0.0003526600000000 ] - [ -0.0001929100000000, 0.0000000000000000, 0.0008418600000000 ] - [ -0.0001345600000000, -0.0000359800000000, -0.0001796100000000 ] - [ -0.0000301700000000, 0.0000000000000000, -0.0006032300000000 ] - [ 0.0026631300000000, 0.0003200800000000, -0.0005062000000000 ] - [ 0.0013712900000000, 0.0000000000000000, -0.0016606300000000 ] - [ 0.0001549100000000, 0.0000000000000000, -0.0002714600000000 ] - [ 0.0008459600000000, -0.0001062600000000, 0.0002048700000000 ] - [ 0.0051130400000000, 0.0000000000000000, -0.0002014300000000 ] - [ 0.0026631300000000, -0.0003200800000000, -0.0005062000000000 ] - [ 0.0025362700000000, 0.0000000000000000, 0.0016445900000000 ] - [ 0.0008459600000000, 0.0001062600000000, 0.0002048700000000 ] - [ 0.0031464000000000, -0.0004502500000000, -0.0017880600000000 ] - [ 0.0116170900000000, 0.0000000000000000, -0.0001318400000000 ] - [ 0.0020168500000000, 0.0000000000000000, 0.0023821200000000 ] - [ 0.0031464000000000, 0.0004502500000000, -0.0017880600000000 ] - [ 0.0226576600000000, -0.0202941200000000, 0.0030570000000000 ] - [ -0.0004886100000000, 0.0000000000000000, 0.0015528000000000 ] - [ 0.0017079800000000, 0.0000000000000000, 0.0032239700000000 ] - [ 0.0136523200000000, 0.0082419400000000, -0.0004193200000000 ] - [ 0.0000211100000000, -0.0000611100000000, 0.0004773500000000 ] - [ 0.0011121700000000, 0.0000000000000000, -0.0024961700000000 ] - [ 0.0031531400000000, 0.0000000000000000, -0.0121975200000000 ] - [ 0.0012022900000000, -0.0000815000000000, 0.0002665600000000 ] - [ 0.0000657100000000, 0.0000000000000000, -0.0000476600000000 ] - [ -0.0000603800000000, 0.0000061400000000, -0.0003175600000000 ] - [ 0.0012022900000000, 0.0000815000000000, 0.0002665600000000 ] - [ 0.0001072900000000, 0.0000000000000000, -0.0001125600000000 ] - [ 0.0000241400000000, 0.0001622900000000, 0.0001279000000000 ] - [ 0.0004679100000000, 0.0000000000000000, 0.0001417700000000 ] - [ 0.0003744600000000, 0.0000000000000000, -0.0002117000000000 ] - [ -0.0000707600000000, 0.0000000000000000, 0.0002147400000000 ] - [ 0.0000886200000000, 0.0001950200000000, 0.0003637200000000 ] - [ 0.0000241400000000, -0.0001622900000000, 0.0001279000000000 ] - [ 0.0000906900000000, 0.0000000000000000, 0.0004544900000000 ] - [ 0.0000886200000000, -0.0001950200000000, 0.0003637200000000 ] - [ 0.0000645000000000, 0.0000000000000000, 0.0002354100000000 ] - [ 0.0001798600000000, 0.0000000000000000, -0.0000315300000000 ] - [ -0.0000385500000000, 0.0001467300000000, 0.0003965000000000 ] - [ -0.0001231700000000, -0.0001375400000000, 0.0004245100000000 ]- atom: 70 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0000420100000000, 0.0000000000000000, -0.0000534000000000 ] - [ -0.0001688200000000, 0.0000000000000000, -0.0010420200000000 ] - [ 0.0008827800000000, 0.0003513300000000, -0.0005979400000000 ] - [ 0.0023919400000000, 0.0000000000000000, -0.0028893900000000 ] - [ -0.0009215800000000, -0.0000459100000000, 0.0004499400000000 ] - [ -0.0254005900000000, 0.0027467900000000, -0.0022767600000000 ] - [ -0.0047240600000000, 0.0000000000000000, 0.0014662100000000 ] - [ -0.0254005900000000, -0.0027467900000000, -0.0022767600000000 ] - [ -0.0021463900000000, 0.0000000000000000, -0.0049197700000000 ] - [ 0.0057862100000000, 0.0000000000000000, -0.0061877600000000 ] - [ 0.0016528700000000, 0.0024019200000000, -0.0041419800000000 ] - [ -0.0002367200000000, 0.0000000000000000, -0.0000692900000000 ] - [ 0.0098647300000000, 0.0000000000000000, 0.0038942100000000 ] - [ 0.0005447400000000, 0.0000000000000000, 0.0004568900000000 ] - [ 0.0016528700000000, -0.0024019200000000, -0.0041419800000000 ] - [ 0.0046083600000000, 0.0000000000000000, -0.0004473000000000 ] - [ -0.0001564000000000, -0.0000019000000000, -0.0002724000000000 ] - [ -0.0000603000000000, 0.0000000000000000, 0.0001721900000000 ] - [ -0.0000749000000000, 0.0001148700000000, 0.0003113300000000 ] - [ 0.0001424600000000, 0.0000000000000000, 0.0004053700000000 ] - [ -0.0001564000000000, 0.0000019000000000, -0.0002724000000000 ] - [ -0.0001478000000000, -0.0001276900000000, 0.0004092200000000 ] - [ 0.0002818300000000, 0.0000000000000000, 0.0001966700000000 ] - [ 0.0001215700000000, 0.0000000000000000, -0.0002880800000000 ] - [ 0.0003545700000000, 0.0000000000000000, 0.0003754400000000 ] - [ 0.0004116900000000, 0.0000000000000000, 0.0000337600000000 ] - [ -0.0009215800000000, 0.0000459100000000, 0.0004499400000000 ] - [ 0.0003993200000000, 0.0000000000000000, 0.0062597600000000 ] - [ 0.0008827800000000, -0.0003513300000000, -0.0005979400000000 ] - [ 0.0081989400000000, 0.0004140300000000, 0.0043821200000000 ] - [ 0.0033450100000000, 0.0000000000000000, 0.0002855000000000 ] - [ 0.0081989400000000, -0.0004140300000000, 0.0043821200000000 ] - [ 0.0010100300000000, 0.0000000000000000, 0.0015489800000000 ] - [ -0.0183156600000000, 0.0000000000000000, 0.0089733400000000 ] - [ 0.0007819000000000, -0.0000504600000000, 0.0028525800000000 ] - [ 0.0003239000000000, 0.0000000000000000, -0.0005880200000000 ] - [ -0.0828170600000000, 0.0000000000000000, 0.0174186300000000 ] - [ -0.0004836000000000, 0.0000000000000000, -0.0015819800000000 ] - [ 0.0007819000000000, 0.0000504600000000, 0.0028525800000000 ] - [ -0.0075354400000000, 0.0000000000000000, -0.0009472100000000 ] - [ 0.0002779700000000, 0.0000887000000000, 0.0000422100000000 ] - [ -0.0001720500000000, 0.0000000000000000, 0.0001851600000000 ] - [ -0.0001478000000000, 0.0001276900000000, 0.0004092200000000 ] - [ 0.0002703600000000, 0.0000000000000000, 0.0004127400000000 ] - [ 0.0002779700000000, -0.0000887000000000, 0.0000422100000000 ] - [ -0.0000749000000000, -0.0001148700000000, 0.0003113300000000 ] - [ 0.0001122900000000, 0.0000000000000000, 0.0003198900000000 ] - [ -0.0000589900000000, 0.0000000000000000, -0.0002816300000000 ] - [ -0.0081093200000000, 0.0000000000000000, -0.0012696300000000 ] - [ 0.0003765200000000, 0.0000000000000000, -0.0005034000000000 ] - [ 0.0001458000000000, 0.0000000000000000, 0.0003792000000000 ] - [ -0.0013969400000000, 0.0000000000000000, 0.0000681300000000 ] - [ 0.0059446000000000, 0.0000000000000000, -0.0005339200000000 ] - [ -0.0003321600000000, 0.0000000000000000, 0.0004959500000000 ] - [ 0.0001177400000000, 0.0000000000000000, 0.0004610900000000 ] - [ 0.0013236200000000, 0.0000000000000000, -0.0003514000000000 ] - [ 0.0001164000000000, 0.0000386900000000, 0.0003989000000000 ] - [ -0.0004623100000000, 0.0000000000000000, 0.0003553400000000 ] - [ -0.0001283600000000, -0.0000133500000000, -0.0001320300000000 ] - [ -0.0000199400000000, 0.0000000000000000, -0.0004889600000000 ] - [ 0.0039062200000000, 0.0039688300000000, -0.0060434500000000 ] - [ 0.0000629700000000, 0.0000000000000000, -0.0013451600000000 ] - [ 0.0001314200000000, 0.0000000000000000, 0.0001551300000000 ] - [ 0.0016287300000000, -0.0006351000000000, 0.0004183800000000 ] - [ 0.0085265400000000, 0.0000000000000000, -0.0016218500000000 ] - [ 0.0039062200000000, -0.0039688300000000, -0.0060434500000000 ] - [ 0.0030291000000000, 0.0000000000000000, 0.0017906600000000 ] - [ 0.0016287300000000, 0.0006351000000000, 0.0004183800000000 ] - [ 0.0035142800000000, 0.0017849900000000, -0.0055496200000000 ] - [ 0.2111756800000000, 0.0000000000000000, -0.0299196600000000 ] - [ -0.0041543400000000, 0.0000000000000000, 0.0214546900000000 ] - [ 0.0035142800000000, -0.0017849900000000, -0.0055496200000000 ] - [ -0.0139219900000000, 0.0080542700000000, 0.0004703100000000 ] - [ -0.0007123700000000, 0.0000000000000000, 0.0011502400000000 ] - [ 0.0006824000000000, 0.0000000000000000, 0.0022754200000000 ] - [ -0.0224769400000000, -0.0197216500000000, -0.0029977600000000 ] - [ 0.0000194600000000, -0.0000810900000000, 0.0006254300000000 ] - [ 0.0000229800000000, 0.0000000000000000, -0.0018002800000000 ] - [ -0.0024148600000000, 0.0000000000000000, -0.0042814700000000 ] - [ 0.0016412000000000, -0.0005477300000000, 0.0007703100000000 ] - [ 0.0000633700000000, 0.0000000000000000, 0.0001030400000000 ] - [ -0.0000647300000000, 0.0000261100000000, -0.0001743900000000 ] - [ 0.0016412000000000, 0.0005477300000000, 0.0007703100000000 ] - [ 0.0001253900000000, 0.0000000000000000, 0.0000521100000000 ] - [ 0.0000244700000000, 0.0001620300000000, 0.0002877300000000 ] - [ 0.0004533800000000, 0.0000000000000000, 0.0003074100000000 ] - [ 0.0003681900000000, 0.0000000000000000, 0.0000018700000000 ] - [ -0.0000736500000000, 0.0000000000000000, 0.0003936700000000 ] - [ 0.0000968900000000, 0.0001832400000000, 0.0005281700000000 ] - [ 0.0000244700000000, -0.0001620300000000, 0.0002877300000000 ] - [ 0.0000913800000000, 0.0000000000000000, 0.0006150700000000 ] - [ 0.0000968900000000, -0.0001832400000000, 0.0005281700000000 ] - [ 0.0000208800000000, 0.0000000000000000, 0.0003812000000000 ] - [ 0.0001797200000000, 0.0000000000000000, 0.0001572000000000 ] - [ -0.0000149700000000, 0.0001099200000000, 0.0005434200000000 ] - [ -0.0001001300000000, -0.0001009200000000, 0.0005704900000000 ] - [ -0.0001283600000000, 0.0000133500000000, -0.0001320300000000 ] - [ -0.0000000800000000, 0.0000000000000000, -0.0013527100000000 ] - [ 0.0001164000000000, -0.0000386900000000, 0.0003989000000000 ] - [ -0.0006560500000000, 0.0000000000000000, -0.0004190100000000 ] - [ -0.0029404200000000, -0.0005457100000000, -0.0001804700000000 ] - [ -0.0017712300000000, 0.0000000000000000, 0.0016834900000000 ] - [ -0.0005955100000000, 0.0000000000000000, 0.0001425500000000 ] - [ -0.0010142400000000, 0.0001222100000000, -0.0005424700000000 ] - [ -0.0060383100000000, 0.0000000000000000, -0.0005593400000000 ] - [ -0.0029404200000000, 0.0005457100000000, -0.0001804700000000 ] - [ -0.0026961300000000, 0.0000000000000000, -0.0021345800000000 ] - [ -0.0010142400000000, -0.0001222100000000, -0.0005424700000000 ] - [ -0.0032077800000000, 0.0005361900000000, 0.0016911700000000 ] - [ -0.0112411700000000, 0.0000000000000000, -0.0000463300000000 ] - [ -0.0014326700000000, 0.0000000000000000, -0.0022031400000000 ] - [ -0.0032077800000000, -0.0005361900000000, 0.0016911700000000 ] - [ -0.0224769400000000, 0.0197216500000000, -0.0029977600000000 ] - [ 0.0003788200000000, 0.0000000000000000, -0.0014371900000000 ] - [ -0.0020888300000000, 0.0000000000000000, -0.0039016100000000 ] - [ -0.0139219900000000, -0.0080542700000000, 0.0004703100000000 ] - [ -0.0000647300000000, -0.0000261100000000, -0.0001743900000000 ] - [ -0.0008496800000000, 0.0000000000000000, 0.0020280300000000 ] - [ -0.0028277700000000, 0.0000000000000000, 0.0118784400000000 ] - [ -0.0013889800000000, 0.0000190400000000, -0.0012761000000000 ] - [ 0.0001531300000000, 0.0000000000000000, 0.0003639900000000 ] - [ 0.0000194600000000, 0.0000810900000000, 0.0006254300000000 ] - [ -0.0013889800000000, -0.0000190400000000, -0.0012761000000000 ] - [ -0.0004963800000000, 0.0000000000000000, -0.0002800600000000 ] - [ 0.0000158700000000, 0.0001629400000000, 0.0002794300000000 ] - [ 0.0003450300000000, 0.0000000000000000, 0.0001537100000000 ] - [ -0.0002480500000000, 0.0000000000000000, -0.0000543000000000 ] - [ -0.0000182700000000, 0.0000000000000000, 0.0005350100000000 ] - [ -0.0001005700000000, 0.0001772800000000, 0.0005517900000000 ] - [ 0.0000158700000000, -0.0001629400000000, 0.0002794300000000 ] - [ 0.0000427300000000, 0.0000000000000000, 0.0006567900000000 ] - [ -0.0001005700000000, -0.0001772800000000, 0.0005517900000000 ] - [ 0.0000478700000000, 0.0000000000000000, 0.0004447300000000 ] - [ 0.0002236600000000, 0.0000000000000000, 0.0001158300000000 ] - [ -0.0001001300000000, 0.0001009200000000, 0.0005704900000000 ] - [ -0.0000149700000000, -0.0001099200000000, 0.0005434200000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001439600000000, 0.0000516700000000, 0.0002963100000000 ] - [ -0.0000622500000000, -0.0002294400000000, -0.0003873700000000 ] - [ 0.0000696800000000, 0.0000381400000000, -0.0000306100000000 ] - [ -0.0001179900000000, -0.0003575300000000, -0.0003536800000000 ] - [ 0.0002174700000000, -0.0000432900000000, 0.0002192500000000 ] - [ -0.0005047600000000, 0.0109355200000000, 0.0012297200000000 ] - [ -0.0000990500000000, -0.0038070500000000, 0.0000930800000000 ] - [ 0.0010476300000000, 0.0098668200000000, -0.0021436700000000 ] - [ -0.0001050700000000, 0.0001544500000000, 0.0000496800000000 ] - [ 0.0000029100000000, -0.0040005200000000, -0.0000275000000000 ] - [ 0.0000161600000000, 0.0000060700000000, -0.0001157900000000 ] - [ 0.0000467100000000, 0.0000180400000000, -0.0002082200000000 ] - [ 0.0003002800000000, -0.0075965500000000, -0.0001150200000000 ] - [ 0.0000289300000000, 0.0000658000000000, -0.0003289600000000 ] - [ 0.0001736100000000, 0.0001796300000000, -0.0006227400000000 ] - [ 0.0003538400000000, -0.0002043300000000, -0.0001662800000000 ] - [ 0.0000481700000000, 0.0000431500000000, -0.0000065600000000 ] - [ -0.0001211300000000, -0.0000018600000000, 0.0002952700000000 ] - [ -0.0001101000000000, 0.0001180100000000, 0.0004736400000000 ] - [ 0.0002069200000000, 0.0000010800000000, 0.0005476400000000 ] - [ 0.0000689800000000, -0.0000415200000000, 0.0000155200000000 ] - [ -0.0001080200000000, -0.0001168000000000, 0.0004778300000000 ] - [ 0.0001969100000000, -0.0000029600000000, 0.0003810400000000 ] - [ 0.0000321700000000, 0.0000012600000000, -0.0001244600000000 ] - [ 0.0001448100000000, 0.0000247700000000, 0.0002966900000000 ] - [ -0.0000608000000000, -0.0000153400000000, -0.0003869500000000 ] - [ -0.0000601400000000, 0.0000365300000000, -0.0002868900000000 ] - [ -0.0001124200000000, 0.0043801900000000, -0.0003526400000000 ] - [ 0.0000915400000000, -0.0000434600000000, -0.0000409700000000 ] - [ -0.0014149700000000, 0.0000826600000000, -0.0015749800000000 ] - [ -0.0000955100000000, 0.0001664300000000, 0.0000839100000000 ] - [ 0.0013781700000000, 0.0000730000000000, 0.0015865300000000 ] - [ -0.0000968700000000, -0.0002454100000000, 0.0000624400000000 ] - [ -0.0000050800000000, 0.0181960900000000, -0.0000602800000000 ] - [ -0.0019083300000000, -0.0000641800000000, -0.0016287000000000 ] - [ 0.0000461700000000, 0.0000186200000000, -0.0002078900000000 ] - [ 0.0005451600000000, 0.0191795700000000, -0.0002243300000000 ] - [ 0.0000289100000000, 0.0001861400000000, -0.0003267000000000 ] - [ 0.0021132600000000, 0.0000859400000000, 0.0008890100000000 ] - [ 0.0003626200000000, 0.0036572200000000, -0.0001509500000000 ] - [ 0.0000485700000000, 0.0000422300000000, -0.0000019900000000 ] - [ -0.0001213000000000, -0.0000019600000000, 0.0002952700000000 ] - [ -0.0001096000000000, 0.0001181100000000, 0.0004736900000000 ] - [ 0.0002068300000000, 0.0000018400000000, 0.0005475400000000 ] - [ 0.0000681300000000, -0.0000421700000000, 0.0000102100000000 ] - [ -0.0001075400000000, -0.0001167700000000, 0.0004775900000000 ] - [ 0.0001970600000000, -0.0000019800000000, 0.0003810800000000 ] - [ 0.0000319300000000, 0.0000019000000000, -0.0001240900000000 ] - [ -0.0000930200000000, -0.0099604800000000, -0.0002639900000000 ] - [ 0.0000283200000000, -0.0000236500000000, 0.0000171400000000 ] - [ 0.0001317700000000, -0.0000030900000000, 0.0005130300000000 ] - [ -0.0000107000000000, -0.0003245900000000, -0.0002604100000000 ] - [ -0.0000859900000000, 0.0009410600000000, -0.0002164100000000 ] - [ 0.0000291800000000, -0.0000362900000000, 0.0000170600000000 ] - [ 0.0001317300000000, -0.0000032000000000, 0.0005131300000000 ] - [ -0.0000121700000000, 0.0000196200000000, -0.0002608600000000 ] - [ 0.0000397100000000, 0.0000256900000000, 0.0000593400000000 ] - [ -0.0001014400000000, 0.0000372900000000, -0.0002626000000000 ] - [ 0.0000256700000000, -0.0000380600000000, 0.0001545500000000 ] - [ -0.0003422000000000, -0.0000446100000000, -0.0005125600000000 ] - [ -0.0014177700000000, 0.0027363000000000, -0.0069364400000000 ] - [ -0.0001947600000000, 0.0008464300000000, 0.0000072900000000 ] - [ -0.0002194300000000, 0.0000350300000000, -0.0000656000000000 ] - [ 0.0003580800000000, 0.0000551500000000, -0.0005971500000000 ] - [ -0.0004400200000000, 0.0406384600000000, -0.0004096200000000 ] - [ 0.0011346400000000, 0.0029742000000000, 0.0062062000000000 ] - [ -0.0000725600000000, 0.0013236300000000, -0.0002404500000000 ] - [ -0.0005229700000000, 0.0000423900000000, 0.0002658500000000 ] - [ -0.0036024500000000, 0.0014906700000000, -0.0079349900000000 ] - [ -0.0007269300000000, -0.1092294900000000, 0.0010622400000000 ] - [ 0.0002650000000000, -0.0041285300000000, 0.0001612800000000 ] - [ 0.0035643500000000, 0.0013782500000000, 0.0078610800000000 ] - [ -0.0070150100000000, 0.0021931500000000, -0.0002283900000000 ] - [ -0.0000521200000000, 0.0000976300000000, 0.0000656900000000 ] - [ -0.0001861300000000, 0.0010584600000000, -0.0003348600000000 ] - [ 0.0151426900000000, 0.0097499600000000, 0.0011837300000000 ] - [ -0.0000030900000000, -0.0000490100000000, 0.0001157800000000 ] - [ 0.0001311300000000, 0.0008034900000000, -0.0002436800000000 ] - [ 0.0001694500000000, 0.0013253100000000, -0.0002162800000000 ] - [ 0.0003016500000000, -0.0001541500000000, -0.0007551600000000 ] - [ 0.0001091100000000, -0.0000069900000000, 0.0001546900000000 ] - [ -0.0000065100000000, 0.0000425400000000, 0.0001910900000000 ] - [ -0.0004819100000000, -0.0000966400000000, -0.0002653700000000 ] - [ -0.0001942500000000, -0.0000179200000000, -0.0001991800000000 ] - [ 0.0000205300000000, 0.0001630100000000, 0.0001995900000000 ] - [ 0.0004069200000000, 0.0000025000000000, 0.0001449200000000 ] - [ 0.0000637300000000, 0.0000056200000000, -0.0001360300000000 ] - [ -0.0000444300000000, -0.0000046800000000, 0.0003710000000000 ] - [ -0.0000047900000000, 0.0001861300000000, 0.0004521400000000 ] - [ 0.0000200200000000, -0.0001628100000000, 0.0002016700000000 ] - [ 0.0000663800000000, -0.0000002200000000, 0.0005526700000000 ] - [ -0.0000070900000000, -0.0001865400000000, 0.0004571500000000 ] - [ 0.0000571300000000, 0.0000027700000000, 0.0003372400000000 ] - [ 0.0002019600000000, 0.0000009000000000, 0.0000389700000000 ] - [ -0.0000691500000000, 0.0001250400000000, 0.0004787800000000 ] - [ -0.0000714600000000, -0.0001238500000000, 0.0004836900000000 ] - [ -0.0000419400000000, 0.0000356700000000, 0.0000588100000000 ] - [ -0.0001031000000000, -0.0005175700000000, -0.0002649400000000 ] - [ -0.0000546500000000, -0.0000480800000000, 0.0001554600000000 ] - [ -0.0003428700000000, 0.0000052100000000, -0.0005122500000000 ] - [ -0.0003018600000000, -0.0002018600000000, -0.0000674900000000 ] - [ -0.0001978600000000, 0.0000046800000000, 0.0000130300000000 ] - [ -0.0002204200000000, -0.0000067300000000, -0.0000650300000000 ] - [ -0.0001150100000000, 0.0000022000000000, -0.0001342600000000 ] - [ -0.0004507700000000, -0.0017762200000000, -0.0003712500000000 ] - [ 0.0000395800000000, 0.0000217700000000, -0.0006048800000000 ] - [ -0.0000849400000000, -0.0006963900000000, -0.0002296400000000 ] - [ -0.0000563800000000, -0.0000142800000000, -0.0001975100000000 ] - [ -0.0001928900000000, 0.0001463900000000, 0.0005253300000000 ] - [ 0.0002002300000000, 0.0022975200000000, -0.0000810500000000 ] - [ 0.0002870600000000, 0.0007012600000000, 0.0001091600000000 ] - [ 0.0001462500000000, 0.0000657000000000, -0.0006352400000000 ] - [ -0.0150948700000000, 0.0094569300000000, -0.0011291400000000 ] - [ -0.0000523000000000, -0.0013910400000000, 0.0000662900000000 ] - [ -0.0001841100000000, -0.0015565700000000, -0.0003404100000000 ] - [ 0.0068642300000000, 0.0024974300000000, 0.0002753900000000 ] - [ -0.0000358700000000, -0.0000446200000000, 0.0001100800000000 ] - [ 0.0001366400000000, -0.0000538100000000, -0.0002479000000000 ] - [ 0.0001962800000000, -0.0034811900000000, -0.0002513200000000 ] - [ -0.0001627900000000, -0.0000223900000000, -0.0005048800000000 ] - [ 0.0001091300000000, -0.0000048900000000, 0.0001545800000000 ] - [ -0.0000385700000000, 0.0000376400000000, 0.0001841600000000 ] - [ -0.0000155100000000, 0.0000393500000000, -0.0005099500000000 ] - [ -0.0001936300000000, -0.0000039500000000, -0.0001987300000000 ] - [ 0.0000204800000000, 0.0001629500000000, 0.0001995800000000 ] - [ 0.0004069600000000, 0.0000037200000000, 0.0001451300000000 ] - [ 0.0000643400000000, 0.0000007400000000, -0.0001359200000000 ] - [ -0.0000442700000000, -0.0000039800000000, 0.0003711400000000 ] - [ -0.0000034200000000, 0.0001862900000000, 0.0004519800000000 ] - [ 0.0000201400000000, -0.0001628700000000, 0.0002016900000000 ] - [ 0.0000664300000000, -0.0000002800000000, 0.0005527100000000 ] - [ -0.0000081200000000, -0.0001863900000000, 0.0004574600000000 ] - [ 0.0000572400000000, 0.0000023800000000, 0.0003373200000000 ] - [ 0.0002016200000000, 0.0000006000000000, 0.0000386200000000 ] - [ -0.0000677700000000, 0.0001250000000000, 0.0004787200000000 ] - [ -0.0000699900000000, -0.0001239000000000, 0.0004834600000000 ]- atom: 70 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0004592900000000, 0.0000000000000000, -0.0024655500000000 ] - [ 0.0012269700000000, 0.0000000000000000, -0.0028470400000000 ] - [ 0.0006241700000000, 0.0004515500000000, -0.0015521400000000 ] - [ 0.0023322800000000, 0.0000000000000000, 0.0013384900000000 ] - [ -0.0002772600000000, -0.0002615900000000, -0.0031436300000000 ] - [ 0.0060335600000000, 0.0036351200000000, 0.0230172500000000 ] - [ 0.0033761700000000, 0.0000000000000000, -0.0029461400000000 ] - [ 0.0060335600000000, -0.0036351200000000, 0.0230172500000000 ] - [ 0.0010634500000000, 0.0000000000000000, -0.0063774800000000 ] - [ 0.0007597600000000, 0.0000000000000000, 0.0063435800000000 ] - [ 0.0030049700000000, 0.0027357800000000, -0.0013464800000000 ] - [ 0.0001914900000000, 0.0000000000000000, -0.0025736100000000 ] - [ -0.0015516400000000, 0.0000000000000000, 0.0042226500000000 ] - [ -0.0012173700000000, 0.0000000000000000, -0.0029871400000000 ] - [ 0.0030049700000000, -0.0027357800000000, -0.0013464800000000 ] - [ -0.0004010300000000, 0.0000000000000000, 0.0004556600000000 ] - [ 0.0000967800000000, -0.0001405500000000, -0.0023165700000000 ] - [ -0.0001239200000000, 0.0000000000000000, -0.0019141800000000 ] - [ -0.0000460000000000, 0.0001295200000000, -0.0017846500000000 ] - [ 0.0002168500000000, 0.0000000000000000, -0.0021329900000000 ] - [ 0.0000967800000000, 0.0001405500000000, -0.0023165700000000 ] - [ -0.0001766300000000, -0.0001293800000000, -0.0018033400000000 ] - [ 0.0002427700000000, 0.0000000000000000, -0.0019693300000000 ] - [ 0.0000014600000000, 0.0000000000000000, -0.0025524500000000 ] - [ -0.0002829400000000, 0.0000000000000000, -0.0021378100000000 ] - [ -0.0012042400000000, 0.0000000000000000, -0.0018831200000000 ] - [ -0.0002772600000000, 0.0002615900000000, -0.0031436300000000 ] - [ -0.0081761000000000, 0.0000000000000000, -0.0045141000000000 ] - [ 0.0006241700000000, -0.0004515500000000, -0.0015521400000000 ] - [ -0.0008749100000000, -0.0002315000000000, 0.0058547400000000 ] - [ 0.0006725200000000, 0.0000000000000000, 0.0012123600000000 ] - [ -0.0008749100000000, 0.0002315000000000, 0.0058547400000000 ] - [ -0.0024975200000000, 0.0000000000000000, 0.0003952800000000 ] - [ -0.0020695900000000, 0.0000000000000000, 0.0218497300000000 ] - [ -0.0055922800000000, -0.0002404500000000, -0.0018799200000000 ] - [ 0.0003433800000000, 0.0000000000000000, -0.0023674000000000 ] - [ -0.0039450400000000, 0.0000000000000000, 0.0281693500000000 ] - [ 0.0006085600000000, 0.0000000000000000, -0.0035070000000000 ] - [ -0.0055922800000000, 0.0002404500000000, -0.0018799200000000 ] - [ 0.0023614600000000, 0.0000000000000000, -0.0079874300000000 ] - [ -0.0002279300000000, -0.0001075100000000, -0.0021188100000000 ] - [ -0.0000989900000000, 0.0000000000000000, -0.0020306700000000 ] - [ -0.0001766300000000, 0.0001293800000000, -0.0018033400000000 ] - [ 0.0001951100000000, 0.0000000000000000, -0.0020836700000000 ] - [ -0.0002279300000000, 0.0001075100000000, -0.0021188100000000 ] - [ -0.0000460000000000, -0.0001295200000000, -0.0017846500000000 ] - [ 0.0001587300000000, 0.0000000000000000, -0.0020539700000000 ] - [ 0.0000572500000000, 0.0000000000000000, -0.0029841900000000 ] - [ 0.0015895600000000, 0.0000000000000000, 0.0047014100000000 ] - [ 0.0002354800000000, 0.0000000000000000, -0.0013000000000000 ] - [ 0.0001400100000000, 0.0000000000000000, -0.0012804800000000 ] - [ 0.0006693500000000, 0.0000000000000000, -0.0028483100000000 ] - [ -0.0009347300000000, 0.0000000000000000, 0.0031242100000000 ] - [ -0.0001403700000000, 0.0000000000000000, -0.0021319900000000 ] - [ 0.0001226800000000, 0.0000000000000000, -0.0013094300000000 ] - [ -0.0000578000000000, 0.0000000000000000, -0.0012775000000000 ] - [ -0.0002808900000000, 0.0002449500000000, 0.0014712700000000 ] - [ -0.0008625900000000, 0.0000000000000000, 0.0002151900000000 ] - [ 0.0006333400000000, -0.0002705900000000, 0.0016375400000000 ] - [ -0.0006656800000000, 0.0000000000000000, 0.0011612900000000 ] - [ 0.0022961000000000, -0.0080918600000000, 0.0095792700000000 ] - [ 0.0013675200000000, 0.0000000000000000, 0.0029121500000000 ] - [ -0.0001645900000000, 0.0000000000000000, 0.0023258300000000 ] - [ -0.0007061900000000, -0.0005915100000000, 0.0024481300000000 ] - [ -0.0010019000000000, 0.0000000000000000, -0.0105914500000000 ] - [ 0.0022961000000000, 0.0080918600000000, 0.0095792700000000 ] - [ -0.0028095400000000, 0.0000000000000000, -0.0029227100000000 ] - [ -0.0007061900000000, 0.0005915100000000, 0.0024481300000000 ] - [ 0.0069903600000000, -0.0068679900000000, 0.0108613000000000 ] - [ -0.0028010300000000, 0.0000000000000000, -0.1171414600000000 ] - [ -0.0135799100000000, 0.0000000000000000, 0.0183491100000000 ] - [ 0.0069903600000000, 0.0068679900000000, 0.0108613000000000 ] - [ 0.0001468700000000, -0.0016125900000000, -0.0064842100000000 ] - [ -0.0006471700000000, 0.0000000000000000, 0.0000743300000000 ] - [ -0.0022296700000000, 0.0000000000000000, -0.0023006400000000 ] - [ 0.0027728800000000, 0.0037412000000000, -0.0080905500000000 ] - [ -0.0002152000000000, -0.0000880000000000, 0.0017520500000000 ] - [ 0.0019898100000000, 0.0000000000000000, 0.0027858300000000 ] - [ 0.0022916500000000, 0.0000000000000000, -0.0022426000000000 ] - [ -0.0010195300000000, -0.0004247000000000, 0.0016888500000000 ] - [ 0.0001888400000000, 0.0000000000000000, 0.0017923800000000 ] - [ 0.0002437500000000, 0.0000639700000000, 0.0019301400000000 ] - [ -0.0010195300000000, 0.0004247000000000, 0.0016888500000000 ] - [ -0.0003053900000000, 0.0000000000000000, 0.0016223300000000 ] - [ 0.0000280800000000, 0.0001674700000000, 0.0018058600000000 ] - [ 0.0002655300000000, 0.0000000000000000, 0.0017648300000000 ] - [ 0.0000114500000000, 0.0000000000000000, 0.0016423400000000 ] - [ 0.0000273100000000, 0.0000000000000000, 0.0023341500000000 ] - [ 0.0000522100000000, 0.0001086000000000, 0.0021108600000000 ] - [ 0.0000280800000000, -0.0001674700000000, 0.0018058600000000 ] - [ 0.0000875700000000, 0.0000000000000000, 0.0021839400000000 ] - [ 0.0000522100000000, -0.0001086000000000, 0.0021108600000000 ] - [ -0.0002316100000000, 0.0000000000000000, 0.0017300500000000 ] - [ 0.0001741600000000, 0.0000000000000000, 0.0018551100000000 ] - [ 0.0001421900000000, -0.0001960100000000, 0.0019667100000000 ] - [ 0.0000604200000000, 0.0001657400000000, 0.0018298400000000 ] - [ 0.0006333400000000, 0.0002705900000000, 0.0016375400000000 ] - [ 0.0011065200000000, 0.0000000000000000, 0.0021130300000000 ] - [ -0.0002808900000000, -0.0002449500000000, 0.0014712700000000 ] - [ -0.0005925800000000, 0.0000000000000000, 0.0004954500000000 ] - [ -0.0011489500000000, 0.0002944300000000, -0.0023759700000000 ] - [ -0.0022419900000000, 0.0000000000000000, 0.0018390500000000 ] - [ -0.0003947800000000, 0.0000000000000000, 0.0015081100000000 ] - [ 0.0001945900000000, 0.0001358200000000, -0.0000430400000000 ] - [ 0.0003411000000000, 0.0000000000000000, -0.0038593800000000 ] - [ -0.0011489500000000, -0.0002944300000000, -0.0023759700000000 ] - [ 0.0025850700000000, 0.0000000000000000, -0.0023623100000000 ] - [ 0.0001945900000000, -0.0001358200000000, -0.0000430400000000 ] - [ -0.0005417500000000, 0.0003837500000000, -0.0021942100000000 ] - [ 0.0017936300000000, 0.0000000000000000, -0.0033581700000000 ] - [ 0.0017043700000000, 0.0000000000000000, -0.0028517700000000 ] - [ -0.0005417500000000, -0.0003837500000000, -0.0021942100000000 ] - [ 0.0027728800000000, -0.0037412000000000, -0.0080905500000000 ] - [ 0.0013543200000000, 0.0000000000000000, 0.0027086700000000 ] - [ 0.0030526000000000, 0.0000000000000000, -0.0016353200000000 ] - [ 0.0001468700000000, 0.0016125900000000, -0.0064842100000000 ] - [ 0.0002437500000000, -0.0000639700000000, 0.0019301400000000 ] - [ -0.0014128300000000, 0.0000000000000000, 0.0016200200000000 ] - [ -0.0090629900000000, 0.0000000000000000, 0.0073443400000000 ] - [ 0.0008044000000000, 0.0000423700000000, -0.0000030300000000 ] - [ 0.0000467200000000, 0.0000000000000000, 0.0017873600000000 ] - [ -0.0002152000000000, 0.0000880000000000, 0.0017520500000000 ] - [ 0.0008044000000000, -0.0000423700000000, -0.0000030300000000 ] - [ -0.0000719300000000, 0.0000000000000000, 0.0011610300000000 ] - [ 0.0000173100000000, 0.0001636600000000, 0.0018219200000000 ] - [ 0.0003835300000000, 0.0000000000000000, 0.0017573300000000 ] - [ 0.0000756400000000, 0.0000000000000000, 0.0013166500000000 ] - [ -0.0001012200000000, 0.0000000000000000, 0.0023844300000000 ] - [ 0.0000124000000000, 0.0001140600000000, 0.0020056600000000 ] - [ 0.0000173100000000, -0.0001636600000000, 0.0018219200000000 ] - [ 0.0000348400000000, 0.0000000000000000, 0.0021394100000000 ] - [ 0.0000124000000000, -0.0001140600000000, 0.0020056600000000 ] - [ -0.0003496400000000, 0.0000000000000000, 0.0017923800000000 ] - [ 0.0002278800000000, 0.0000000000000000, 0.0019102600000000 ] - [ 0.0000604200000000, -0.0001657400000000, 0.0018298400000000 ] - [ 0.0001421900000000, 0.0001960100000000, 0.0019667100000000 ]- atom: 70 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0001717400000000, 0.0000000000000000, 0.0030566700000000 ] - [ -0.0013560600000000, 0.0000000000000000, 0.0020671200000000 ] - [ -0.0004663200000000, -0.0003746300000000, 0.0014744300000000 ] - [ -0.0025638500000000, 0.0000000000000000, -0.0020704700000000 ] - [ 0.0004364300000000, 0.0001844200000000, 0.0030740800000000 ] - [ -0.0056882300000000, -0.0030391600000000, -0.0235127500000000 ] - [ -0.0036008300000000, 0.0000000000000000, 0.0031001100000000 ] - [ -0.0056882300000000, 0.0030391600000000, -0.0235127500000000 ] - [ -0.0012646000000000, 0.0000000000000000, 0.0064983700000000 ] - [ -0.0007668800000000, 0.0000000000000000, -0.0063249200000000 ] - [ -0.0027924500000000, -0.0028687000000000, 0.0006169800000000 ] - [ -0.0000984600000000, 0.0000000000000000, 0.0021525700000000 ] - [ 0.0021759300000000, 0.0000000000000000, -0.0044015800000000 ] - [ 0.0012639500000000, 0.0000000000000000, 0.0023281700000000 ] - [ -0.0027924500000000, 0.0028687000000000, 0.0006169800000000 ] - [ 0.0011074900000000, 0.0000000000000000, -0.0007669700000000 ] - [ 0.0000211700000000, 0.0002249200000000, 0.0023209900000000 ] - [ -0.0001187600000000, 0.0000000000000000, 0.0024997200000000 ] - [ -0.0001714400000000, 0.0001047200000000, 0.0027312700000000 ] - [ 0.0001972700000000, 0.0000000000000000, 0.0032223000000000 ] - [ 0.0000211700000000, -0.0002249200000000, 0.0023209900000000 ] - [ -0.0000403800000000, -0.0001049500000000, 0.0027500100000000 ] - [ 0.0001516300000000, 0.0000000000000000, 0.0027268000000000 ] - [ 0.0000631000000000, 0.0000000000000000, 0.0022966000000000 ] - [ 0.0005740200000000, 0.0000000000000000, 0.0027279300000000 ] - [ 0.0010852100000000, 0.0000000000000000, 0.0011007000000000 ] - [ 0.0004364300000000, -0.0001844200000000, 0.0030740800000000 ] - [ 0.0079849000000000, 0.0000000000000000, 0.0038207900000000 ] - [ -0.0004663200000000, 0.0003746300000000, 0.0014744300000000 ] - [ 0.0008288500000000, 0.0002440400000000, -0.0058844100000000 ] - [ -0.0008755300000000, 0.0000000000000000, -0.0010644600000000 ] - [ 0.0008288500000000, -0.0002440400000000, -0.0058844100000000 ] - [ 0.0023144600000000, 0.0000000000000000, -0.0002871200000000 ] - [ 0.0032058400000000, 0.0000000000000000, -0.0211913700000000 ] - [ 0.0057478000000000, 0.0000941600000000, 0.0011508200000000 ] - [ -0.0002495300000000, 0.0000000000000000, 0.0019480900000000 ] - [ 0.0048727100000000, 0.0000000000000000, -0.0285450500000000 ] - [ -0.0005479200000000, 0.0000000000000000, 0.0028450400000000 ] - [ 0.0057478000000000, -0.0000941600000000, 0.0011508200000000 ] - [ -0.0016328200000000, 0.0000000000000000, 0.0076189500000000 ] - [ 0.0003431200000000, 0.0001920100000000, 0.0021246800000000 ] - [ -0.0001442000000000, 0.0000000000000000, 0.0026167000000000 ] - [ -0.0000403800000000, 0.0001049500000000, 0.0027500100000000 ] - [ 0.0002184600000000, 0.0000000000000000, 0.0031734400000000 ] - [ 0.0003431200000000, -0.0001920100000000, 0.0021246800000000 ] - [ -0.0001714400000000, -0.0001047200000000, 0.0027312700000000 ] - [ 0.0002351600000000, 0.0000000000000000, 0.0028111000000000 ] - [ 0.0000068000000000, 0.0000000000000000, 0.0027302600000000 ] - [ -0.0017524500000000, 0.0000000000000000, -0.0050489700000000 ] - [ -0.0001764800000000, 0.0000000000000000, 0.0013353600000000 ] - [ 0.0001238500000000, 0.0000000000000000, 0.0023036000000000 ] - [ -0.0006845300000000, 0.0000000000000000, 0.0023174900000000 ] - [ 0.0007650100000000, 0.0000000000000000, -0.0035197100000000 ] - [ 0.0001968200000000, 0.0000000000000000, 0.0021611500000000 ] - [ 0.0001418400000000, 0.0000000000000000, 0.0023333300000000 ] - [ 0.0000354500000000, 0.0000000000000000, 0.0007599400000000 ] - [ 0.0002670700000000, -0.0001702000000000, -0.0012509700000000 ] - [ 0.0006610300000000, 0.0000000000000000, -0.0007271700000000 ] - [ -0.0006511200000000, 0.0001958900000000, -0.0014185300000000 ] - [ -0.0000192000000000, 0.0000000000000000, -0.0021810000000000 ] - [ -0.0025988300000000, 0.0079965400000000, -0.0103983100000000 ] - [ -0.0017665100000000, 0.0000000000000000, -0.0029021900000000 ] - [ -0.0002742000000000, 0.0000000000000000, -0.0024527600000000 ] - [ 0.0005409200000000, 0.0006075100000000, -0.0027762100000000 ] - [ 0.0000620400000000, 0.0000000000000000, 0.0098970000000000 ] - [ -0.0025988300000000, -0.0079965400000000, -0.0103983100000000 ] - [ 0.0026487700000000, 0.0000000000000000, 0.0024990000000000 ] - [ 0.0005409200000000, -0.0006075100000000, -0.0027762100000000 ] - [ -0.0069421800000000, 0.0068244700000000, -0.0107909900000000 ] - [ 0.0008557900000000, 0.0000000000000000, 0.1174281100000000 ] - [ 0.0143965800000000, 0.0000000000000000, -0.0183475300000000 ] - [ -0.0069421800000000, -0.0068244700000000, -0.0107909900000000 ] - [ -0.0002011000000000, 0.0012893600000000, 0.0065175200000000 ] - [ 0.0005397400000000, 0.0000000000000000, 0.0000409300000000 ] - [ 0.0018509800000000, 0.0000000000000000, 0.0015902700000000 ] - [ -0.0029734800000000, -0.0034995100000000, 0.0080864800000000 ] - [ 0.0001724000000000, 0.0000011800000000, -0.0014504400000000 ] - [ -0.0017088900000000, 0.0000000000000000, -0.0032554000000000 ] - [ -0.0019365000000000, 0.0000000000000000, 0.0017682200000000 ] - [ 0.0008338100000000, 0.0003614300000000, -0.0027023100000000 ] - [ 0.0000301200000000, 0.0000000000000000, -0.0014796600000000 ] - [ -0.0002835500000000, 0.0000232100000000, -0.0016267200000000 ] - [ 0.0008338100000000, -0.0003614300000000, -0.0027023100000000 ] - [ -0.0000843500000000, 0.0000000000000000, -0.0020173300000000 ] - [ 0.0000120900000000, 0.0001575400000000, -0.0013999500000000 ] - [ 0.0005479400000000, 0.0000000000000000, -0.0014719400000000 ] - [ 0.0001159700000000, 0.0000000000000000, -0.0019105500000000 ] - [ -0.0001161900000000, 0.0000000000000000, -0.0015866200000000 ] - [ -0.0000637900000000, 0.0002639700000000, -0.0011983500000000 ] - [ 0.0000120900000000, -0.0001575400000000, -0.0013999500000000 ] - [ 0.0000467600000000, 0.0000000000000000, -0.0010737700000000 ] - [ -0.0000637900000000, -0.0002639700000000, -0.0011983500000000 ] - [ 0.0003444800000000, 0.0000000000000000, -0.0010509200000000 ] - [ 0.0002298800000000, 0.0000000000000000, -0.0017719900000000 ] - [ -0.0002807400000000, 0.0004436200000000, -0.0010002000000000 ] - [ -0.0001988200000000, -0.0004131500000000, -0.0008628100000000 ] - [ -0.0006511200000000, -0.0001958900000000, -0.0014185300000000 ] - [ -0.0013137900000000, 0.0000000000000000, -0.0026347200000000 ] - [ 0.0002670700000000, 0.0001702000000000, -0.0012509700000000 ] - [ -0.0000934000000000, 0.0000000000000000, -0.0015123200000000 ] - [ 0.0008902100000000, -0.0005247600000000, 0.0017225600000000 ] - [ 0.0018632300000000, 0.0000000000000000, -0.0018194200000000 ] - [ -0.0000438000000000, 0.0000000000000000, -0.0016317700000000 ] - [ -0.0003658000000000, -0.0001210500000000, -0.0002766300000000 ] - [ -0.0012403700000000, 0.0000000000000000, 0.0031240900000000 ] - [ 0.0008902100000000, 0.0005247600000000, 0.0017225600000000 ] - [ -0.0027615500000000, 0.0000000000000000, 0.0019218800000000 ] - [ -0.0003658000000000, 0.0001210500000000, -0.0002766300000000 ] - [ 0.0004901100000000, -0.0002961200000000, 0.0020557300000000 ] - [ -0.0013954200000000, 0.0000000000000000, 0.0031898400000000 ] - [ -0.0011323500000000, 0.0000000000000000, 0.0030914100000000 ] - [ 0.0004901100000000, 0.0002961200000000, 0.0020557300000000 ] - [ -0.0029734800000000, 0.0034995100000000, 0.0080864800000000 ] - [ -0.0014475300000000, 0.0000000000000000, -0.0025761400000000 ] - [ -0.0033969200000000, 0.0000000000000000, 0.0009228000000000 ] - [ -0.0002011000000000, -0.0012893600000000, 0.0065175200000000 ] - [ -0.0002835500000000, -0.0000232100000000, -0.0016267200000000 ] - [ 0.0016676100000000, 0.0000000000000000, -0.0021026800000000 ] - [ 0.0092871500000000, 0.0000000000000000, -0.0076928800000000 ] - [ -0.0009758900000000, -0.0001039100000000, -0.0010222100000000 ] - [ 0.0001711500000000, 0.0000000000000000, -0.0014744500000000 ] - [ 0.0001724000000000, -0.0000011800000000, -0.0014504400000000 ] - [ -0.0009758900000000, 0.0001039100000000, -0.0010222100000000 ] - [ -0.0003150000000000, 0.0000000000000000, -0.0015597200000000 ] - [ 0.0000230700000000, 0.0001612900000000, -0.0014162500000000 ] - [ 0.0004308900000000, 0.0000000000000000, -0.0014643100000000 ] - [ 0.0000527100000000, 0.0000000000000000, -0.0015874400000000 ] - [ 0.0000129500000000, 0.0000000000000000, -0.0016370900000000 ] - [ -0.0000241500000000, 0.0002585000000000, -0.0010938100000000 ] - [ 0.0000230700000000, -0.0001612900000000, -0.0014162500000000 ] - [ 0.0000988900000000, 0.0000000000000000, -0.0010297500000000 ] - [ -0.0000241500000000, -0.0002585000000000, -0.0010938100000000 ] - [ 0.0004630100000000, 0.0000000000000000, -0.0011134200000000 ] - [ 0.0001754600000000, 0.0000000000000000, -0.0018276300000000 ] - [ -0.0001988200000000, 0.0004131500000000, -0.0008628100000000 ] - [ -0.0002807400000000, -0.0004436200000000, -0.0010002000000000 ]- atom: 71 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0014834800000000, 0.0000000000000000, 0.0008920000000000 ] - [ 0.0028740600000000, 0.0000000000000000, -0.0006378800000000 ] - [ -0.0014925900000000, -0.0022686100000000, 0.0027180400000000 ] - [ 0.0005957300000000, 0.0000000000000000, 0.0007388700000000 ] - [ 0.0008557700000000, -0.0000685300000000, -0.0022265900000000 ] - [ 0.0249521900000000, -0.0090246500000000, -0.0100437900000000 ] - [ 0.0089549600000000, 0.0000000000000000, -0.0071077400000000 ] - [ 0.0249521900000000, 0.0090246500000000, -0.0100437900000000 ] - [ 0.0145511500000000, 0.0000000000000000, 0.0020020100000000 ] - [ -0.0018098500000000, 0.0000000000000000, 0.0002861600000000 ] - [ -0.0004334700000000, -0.0003145800000000, 0.0002129500000000 ] - [ 0.0000630700000000, 0.0000000000000000, 0.0000434300000000 ] - [ -0.0002510500000000, 0.0000000000000000, -0.0017747300000000 ] - [ 0.0001319000000000, 0.0000000000000000, -0.0001156500000000 ] - [ -0.0004334700000000, 0.0003145800000000, 0.0002129500000000 ] - [ -0.0001024400000000, 0.0000000000000000, -0.0002790000000000 ] - [ 0.0000645500000000, 0.0000695800000000, 0.0003037800000000 ] - [ -0.0003040100000000, 0.0000000000000000, 0.0006657300000000 ] - [ -0.0000044500000000, 0.0001255900000000, 0.0008601500000000 ] - [ 0.0001759200000000, 0.0000000000000000, 0.0008606000000000 ] - [ 0.0000645500000000, -0.0000695800000000, 0.0003037800000000 ] - [ -0.0002160600000000, -0.0000748000000000, 0.0006365200000000 ] - [ 0.0001800100000000, 0.0000000000000000, 0.0007029700000000 ] - [ -0.0001822800000000, 0.0000000000000000, 0.0007969500000000 ] - [ -0.0009327500000000, 0.0000000000000000, 0.0003483300000000 ] - [ -0.0029547800000000, 0.0000000000000000, -0.0006698200000000 ] - [ 0.0008557700000000, 0.0000685300000000, -0.0022265900000000 ] - [ -0.0101238900000000, 0.0000000000000000, -0.0045895800000000 ] - [ -0.0014925900000000, 0.0022686100000000, 0.0027180400000000 ] - [ -0.0054361900000000, -0.0001179200000000, -0.0021635900000000 ] - [ -0.0096038700000000, 0.0000000000000000, 0.0016559100000000 ] - [ -0.0054361900000000, 0.0001179200000000, -0.0021635900000000 ] - [ -0.0053667000000000, 0.0000000000000000, -0.0007435300000000 ] - [ 0.0056005500000000, 0.0000000000000000, -0.0002920800000000 ] - [ 0.0008095800000000, 0.0000034300000000, -0.0005980400000000 ] - [ -0.0000224600000000, 0.0000000000000000, 0.0000843200000000 ] - [ -0.0046615900000000, 0.0000000000000000, 0.0020311800000000 ] - [ -0.0000255400000000, 0.0000000000000000, 0.0001584800000000 ] - [ 0.0008095800000000, -0.0000034300000000, -0.0005980400000000 ] - [ 0.0007269100000000, 0.0000000000000000, 0.0008743900000000 ] - [ 0.0000818800000000, 0.0000575200000000, 0.0002431500000000 ] - [ 0.0000483500000000, 0.0000000000000000, 0.0004458700000000 ] - [ -0.0002160600000000, 0.0000748000000000, 0.0006365200000000 ] - [ 0.0002343800000000, 0.0000000000000000, 0.0008739300000000 ] - [ 0.0000818800000000, -0.0000575200000000, 0.0002431500000000 ] - [ -0.0000044500000000, -0.0001255900000000, 0.0008601500000000 ] - [ 0.0002139200000000, 0.0000000000000000, 0.0006389100000000 ] - [ 0.0003315600000000, 0.0000000000000000, -0.0002919300000000 ] - [ 0.0008081300000000, 0.0000000000000000, 0.0007861700000000 ] - [ -0.0000350400000000, 0.0000000000000000, 0.0002346800000000 ] - [ 0.0000957300000000, 0.0000000000000000, 0.0007715400000000 ] - [ 0.0000660900000000, 0.0000000000000000, 0.0000492700000000 ] - [ -0.0008212700000000, 0.0000000000000000, -0.0008970300000000 ] - [ 0.0000906000000000, 0.0000000000000000, 0.0002222700000000 ] - [ 0.0001720700000000, 0.0000000000000000, 0.0006931200000000 ] - [ -0.0001346600000000, 0.0000000000000000, -0.0001362600000000 ] - [ -0.0013005400000000, 0.0003547300000000, -0.0007635900000000 ] - [ -0.0008342600000000, 0.0000000000000000, -0.0017439600000000 ] - [ 0.0009700400000000, -0.0000754800000000, 0.0007340400000000 ] - [ -0.0010409800000000, 0.0000000000000000, 0.0000862000000000 ] - [ 0.0186301300000000, -0.0154125500000000, 0.0046410300000000 ] - [ 0.0006106200000000, 0.0000000000000000, 0.0035744700000000 ] - [ -0.0007076600000000, 0.0000000000000000, 0.0006484900000000 ] - [ -0.0042140300000000, -0.0002422200000000, 0.0013099400000000 ] - [ -0.0028835400000000, 0.0000000000000000, -0.0019339700000000 ] - [ 0.0186301300000000, 0.0154125500000000, 0.0046410300000000 ] - [ -0.0087359100000000, 0.0000000000000000, 0.0012690000000000 ] - [ -0.0042140300000000, 0.0002422200000000, 0.0013099400000000 ] - [ -0.0012085700000000, 0.0004701200000000, -0.0006233900000000 ] - [ 0.0046170800000000, 0.0000000000000000, -0.0147783600000000 ] - [ -0.1010099200000000, 0.0000000000000000, 0.0248519300000000 ] - [ -0.0012085700000000, -0.0004701200000000, -0.0006233900000000 ] - [ 0.0021345600000000, -0.0007246300000000, -0.0002282900000000 ] - [ 0.0001504000000000, 0.0000000000000000, -0.0001147800000000 ] - [ 0.0001682900000000, 0.0000000000000000, -0.0008213600000000 ] - [ -0.0019556200000000, 0.0019090000000000, 0.0050142800000000 ] - [ 0.0000041800000000, -0.0000392100000000, -0.0000849000000000 ] - [ -0.0001048400000000, 0.0000000000000000, -0.0004232300000000 ] - [ 0.0003083300000000, 0.0000000000000000, 0.0006860600000000 ] - [ -0.0001372200000000, 0.0000117100000000, -0.0009003500000000 ] - [ 0.0000964900000000, 0.0000000000000000, -0.0000242900000000 ] - [ -0.0000528200000000, 0.0000443600000000, -0.0000218000000000 ] - [ -0.0001372200000000, -0.0000117100000000, -0.0009003500000000 ] - [ -0.0002091800000000, 0.0000000000000000, -0.0004422300000000 ] - [ 0.0000748800000000, 0.0001726700000000, 0.0000035100000000 ] - [ 0.0004301200000000, 0.0000000000000000, -0.0000641500000000 ] - [ 0.0000422000000000, 0.0000000000000000, -0.0003551600000000 ] - [ 0.0001533200000000, 0.0000000000000000, 0.0002764400000000 ] - [ -0.0000158400000000, 0.0001944900000000, 0.0002659200000000 ] - [ 0.0000748800000000, -0.0001726700000000, 0.0000035100000000 ] - [ 0.0000997900000000, 0.0000000000000000, 0.0004123400000000 ] - [ -0.0000158400000000, -0.0001944900000000, 0.0002659200000000 ] - [ 0.0003096200000000, 0.0000000000000000, 0.0001154800000000 ] - [ 0.0001794900000000, 0.0000000000000000, -0.0002449900000000 ] - [ -0.0001041900000000, 0.0001121900000000, 0.0004889400000000 ] - [ -0.0000836800000000, -0.0002251800000000, 0.0001379900000000 ] - [ 0.0009700400000000, 0.0000754800000000, 0.0007340400000000 ] - [ 0.0012101000000000, 0.0000000000000000, 0.0027380300000000 ] - [ -0.0013005400000000, -0.0003547300000000, -0.0007635900000000 ] - [ 0.0003616400000000, 0.0000000000000000, -0.0011047500000000 ] - [ 0.0078183900000000, -0.0032747000000000, 0.0007293300000000 ] - [ 0.0055079100000000, 0.0000000000000000, -0.0095483400000000 ] - [ 0.0010305300000000, 0.0000000000000000, -0.0017987300000000 ] - [ 0.0024827400000000, -0.0004458100000000, -0.0004687700000000 ] - [ 0.0013278800000000, 0.0000000000000000, 0.0009738900000000 ] - [ 0.0078183900000000, 0.0032747000000000, 0.0007293300000000 ] - [ 0.0054470500000000, 0.0000000000000000, -0.0000725500000000 ] - [ 0.0024827400000000, 0.0004458100000000, -0.0004687700000000 ] - [ 0.0005864300000000, -0.0000174100000000, -0.0000462400000000 ] - [ 0.0019168600000000, 0.0000000000000000, 0.0011061400000000 ] - [ 0.0051663500000000, 0.0000000000000000, 0.0000725500000000 ] - [ 0.0005864300000000, 0.0000174100000000, -0.0000462400000000 ] - [ -0.0019556200000000, -0.0019090000000000, 0.0050142800000000 ] - [ -0.0003040900000000, 0.0000000000000000, -0.0001397800000000 ] - [ -0.0004750800000000, 0.0000000000000000, 0.0002488700000000 ] - [ 0.0021345600000000, 0.0007246300000000, -0.0002282900000000 ] - [ -0.0000528200000000, -0.0000443600000000, -0.0000218000000000 ] - [ 0.0003691500000000, 0.0000000000000000, -0.0005916200000000 ] - [ 0.0009199500000000, 0.0000000000000000, -0.0016780900000000 ] - [ -0.0000457100000000, -0.0000534100000000, -0.0004601800000000 ] - [ 0.0001204500000000, 0.0000000000000000, -0.0000601200000000 ] - [ 0.0000041800000000, 0.0000392100000000, -0.0000849000000000 ] - [ -0.0000457100000000, 0.0000534100000000, -0.0004601800000000 ] - [ -0.0001771400000000, 0.0000000000000000, -0.0003482100000000 ] - [ -0.0000355800000000, 0.0001572100000000, 0.0000101000000000 ] - [ 0.0004044800000000, 0.0000000000000000, -0.0000365300000000 ] - [ 0.0000895100000000, 0.0000000000000000, -0.0003069000000000 ] - [ -0.0002534900000000, 0.0000000000000000, 0.0000375400000000 ] - [ -0.0000053200000000, 0.0001965800000000, 0.0002560800000000 ] - [ -0.0000355800000000, -0.0001572100000000, 0.0000101000000000 ] - [ 0.0000342900000000, 0.0000000000000000, 0.0003121600000000 ] - [ -0.0000053200000000, -0.0001965800000000, 0.0002560800000000 ] - [ -0.0000793400000000, 0.0000000000000000, 0.0001583600000000 ] - [ 0.0002302500000000, 0.0000000000000000, -0.0001301600000000 ] - [ -0.0000836800000000, 0.0002251800000000, 0.0001379900000000 ] - [ -0.0001041900000000, -0.0001121900000000, 0.0004889400000000 ]- atom: 71 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0011889400000000, 0.0000000000000000, -0.0002966300000000 ] - [ -0.0029787700000000, 0.0000000000000000, -0.0001494200000000 ] - [ 0.0016527900000000, 0.0023393100000000, -0.0027802700000000 ] - [ -0.0007803300000000, 0.0000000000000000, -0.0014720100000000 ] - [ -0.0007139000000000, -0.0000097300000000, 0.0021544400000000 ] - [ -0.0250227900000000, 0.0094649200000000, 0.0103989900000000 ] - [ -0.0092319200000000, 0.0000000000000000, 0.0072814100000000 ] - [ -0.0250227900000000, -0.0094649200000000, 0.0103989900000000 ] - [ -0.0147225400000000, 0.0000000000000000, -0.0011240300000000 ] - [ 0.0018054700000000, 0.0000000000000000, -0.0003408800000000 ] - [ 0.0006291200000000, 0.0001668200000000, -0.0009529400000000 ] - [ 0.0000293900000000, 0.0000000000000000, -0.0004583300000000 ] - [ 0.0008895000000000, 0.0000000000000000, 0.0015474500000000 ] - [ -0.0000751200000000, 0.0000000000000000, -0.0005385800000000 ] - [ 0.0006291200000000, -0.0001668200000000, -0.0009529400000000 ] - [ 0.0008183000000000, 0.0000000000000000, -0.0000487800000000 ] - [ 0.0000522500000000, 0.0000152300000000, -0.0002941900000000 ] - [ 0.0000609800000000, 0.0000000000000000, -0.0000737900000000 ] - [ -0.0002118200000000, 0.0001086700000000, 0.0000918600000000 ] - [ 0.0002376600000000, 0.0000000000000000, 0.0002355300000000 ] - [ 0.0000522500000000, -0.0000152300000000, -0.0002941900000000 ] - [ -0.0000023300000000, -0.0001593900000000, 0.0003158300000000 ] - [ 0.0002142500000000, 0.0000000000000000, 0.0000597000000000 ] - [ 0.0002469000000000, 0.0000000000000000, -0.0010429500000000 ] - [ 0.0012196900000000, 0.0000000000000000, 0.0002505900000000 ] - [ 0.0028247600000000, 0.0000000000000000, -0.0001024400000000 ] - [ -0.0007139000000000, 0.0000097300000000, 0.0021544400000000 ] - [ 0.0098854800000000, 0.0000000000000000, 0.0038771000000000 ] - [ 0.0016527900000000, -0.0023393100000000, -0.0027802700000000 ] - [ 0.0053968400000000, 0.0001248200000000, 0.0021512600000000 ] - [ 0.0093681800000000, 0.0000000000000000, -0.0014808900000000 ] - [ 0.0053968400000000, -0.0001248200000000, 0.0021512600000000 ] - [ 0.0051717300000000, 0.0000000000000000, 0.0008789100000000 ] - [ -0.0056223000000000, 0.0000000000000000, 0.0002680500000000 ] - [ -0.0006144100000000, -0.0001514000000000, -0.0001336200000000 ] - [ 0.0001155300000000, 0.0000000000000000, -0.0004997500000000 ] - [ 0.0052530400000000, 0.0000000000000000, -0.0022638200000000 ] - [ 0.0000814200000000, 0.0000000000000000, -0.0008146600000000 ] - [ -0.0006144100000000, 0.0001514000000000, -0.0001336200000000 ] - [ -0.0000225300000000, 0.0000000000000000, -0.0012016400000000 ] - [ 0.0000355400000000, 0.0000273200000000, -0.0002331500000000 ] - [ -0.0002912200000000, 0.0000000000000000, 0.0001445500000000 ] - [ -0.0000023300000000, 0.0001593900000000, 0.0003158300000000 ] - [ 0.0001797400000000, 0.0000000000000000, 0.0002220200000000 ] - [ 0.0000355400000000, -0.0000273200000000, -0.0002331500000000 ] - [ -0.0002118200000000, -0.0001086700000000, 0.0000918600000000 ] - [ 0.0001799700000000, 0.0000000000000000, 0.0001237800000000 ] - [ -0.0002669500000000, 0.0000000000000000, 0.0000397300000000 ] - [ -0.0009851900000000, 0.0000000000000000, -0.0012072200000000 ] - [ 0.0000929600000000, 0.0000000000000000, -0.0001994300000000 ] - [ 0.0001679400000000, 0.0000000000000000, 0.0002552800000000 ] - [ -0.0000890500000000, 0.0000000000000000, -0.0005686300000000 ] - [ 0.0006613400000000, 0.0000000000000000, 0.0004686700000000 ] - [ -0.0000333600000000, 0.0000000000000000, -0.0001859900000000 ] - [ 0.0000915600000000, 0.0000000000000000, 0.0003333500000000 ] - [ 0.0001142400000000, 0.0000000000000000, -0.0003833700000000 ] - [ 0.0012772700000000, -0.0002794600000000, 0.0009793400000000 ] - [ 0.0006211200000000, 0.0000000000000000, 0.0012222600000000 ] - [ -0.0009837100000000, 0.0000024400000000, -0.0005186400000000 ] - [ 0.0003588200000000, 0.0000000000000000, -0.0011036800000000 ] - [ -0.0191999800000000, 0.0154932300000000, -0.0053669100000000 ] - [ -0.0009902600000000, 0.0000000000000000, -0.0035728400000000 ] - [ 0.0002725500000000, 0.0000000000000000, -0.0007716200000000 ] - [ 0.0040470500000000, 0.0002558500000000, -0.0016247700000000 ] - [ 0.0019999700000000, 0.0000000000000000, 0.0011910500000000 ] - [ -0.0191999800000000, -0.0154932300000000, -0.0053669100000000 ] - [ 0.0085473100000000, 0.0000000000000000, -0.0017070000000000 ] - [ 0.0040470500000000, -0.0002558500000000, -0.0016247700000000 ] - [ 0.0011653100000000, -0.0003873300000000, 0.0005018800000000 ] - [ -0.0042250000000000, 0.0000000000000000, 0.0147577100000000 ] - [ 0.1021860000000000, 0.0000000000000000, -0.0260240800000000 ] - [ 0.0011653100000000, 0.0003873300000000, 0.0005018800000000 ] - [ -0.0022361800000000, 0.0004259600000000, 0.0002774600000000 ] - [ -0.0002541200000000, 0.0000000000000000, 0.0002387600000000 ] - [ -0.0005311000000000, 0.0000000000000000, 0.0001343600000000 ] - [ 0.0018280000000000, -0.0016269800000000, -0.0049951300000000 ] - [ -0.0000461500000000, -0.0000483800000000, 0.0003836200000000 ] - [ 0.0003697600000000, 0.0000000000000000, -0.0000660200000000 ] - [ 0.0000273400000000, 0.0000000000000000, -0.0011361400000000 ] - [ -0.0000391900000000, -0.0000740500000000, -0.0001178500000000 ] - [ 0.0001217100000000, 0.0000000000000000, 0.0003333100000000 ] - [ 0.0000103500000000, 0.0000435400000000, 0.0003197600000000 ] - [ -0.0000391900000000, 0.0000740500000000, -0.0001178500000000 ] - [ -0.0001779200000000, 0.0000000000000000, 0.0000424700000000 ] - [ -0.0000345600000000, 0.0001524600000000, 0.0003975100000000 ] - [ 0.0003840500000000, 0.0000000000000000, 0.0003532800000000 ] - [ 0.0000859800000000, 0.0000000000000000, 0.0000824100000000 ] - [ -0.0002414000000000, 0.0000000000000000, 0.0004656300000000 ] - [ 0.0000042300000000, 0.0001783500000000, 0.0006426300000000 ] - [ -0.0000345600000000, -0.0001524600000000, 0.0003975100000000 ] - [ 0.0000342900000000, 0.0000000000000000, 0.0006928200000000 ] - [ 0.0000042300000000, -0.0001783500000000, 0.0006426300000000 ] - [ -0.0001944500000000, 0.0000000000000000, 0.0005593800000000 ] - [ 0.0002235400000000, 0.0000000000000000, 0.0003225200000000 ] - [ -0.0000342000000000, 0.0001361500000000, 0.0004759700000000 ] - [ -0.0000560000000000, -0.0000237000000000, 0.0008251400000000 ] - [ -0.0009837100000000, -0.0000024400000000, -0.0005186400000000 ] - [ -0.0014052500000000, 0.0000000000000000, -0.0032617000000000 ] - [ 0.0012772700000000, 0.0002794600000000, 0.0009793400000000 ] - [ -0.0010459700000000, 0.0000000000000000, 0.0000813300000000 ] - [ -0.0080024800000000, 0.0029918900000000, -0.0013914000000000 ] - [ -0.0058486300000000, 0.0000000000000000, 0.0094805300000000 ] - [ -0.0014662400000000, 0.0000000000000000, 0.0016598900000000 ] - [ -0.0026485200000000, 0.0004608500000000, 0.0001370900000000 ] - [ -0.0022337500000000, 0.0000000000000000, -0.0017056700000000 ] - [ -0.0080024800000000, -0.0029918900000000, -0.0013914000000000 ] - [ -0.0056120200000000, 0.0000000000000000, -0.0003761600000000 ] - [ -0.0026485200000000, -0.0004608500000000, 0.0001370900000000 ] - [ -0.0006375500000000, 0.0001023100000000, -0.0000688900000000 ] - [ -0.0015325400000000, 0.0000000000000000, -0.0012615800000000 ] - [ -0.0045884500000000, 0.0000000000000000, 0.0001550400000000 ] - [ -0.0006375500000000, -0.0001023100000000, -0.0000688900000000 ] - [ 0.0018280000000000, 0.0016269800000000, -0.0049951300000000 ] - [ 0.0002011400000000, 0.0000000000000000, 0.0002603300000000 ] - [ 0.0001075400000000, 0.0000000000000000, -0.0009450300000000 ] - [ -0.0022361800000000, -0.0004259600000000, 0.0002774600000000 ] - [ 0.0000103500000000, -0.0000435400000000, 0.0003197600000000 ] - [ -0.0001046900000000, 0.0000000000000000, 0.0001053500000000 ] - [ -0.0005770700000000, 0.0000000000000000, 0.0012420900000000 ] - [ -0.0001338000000000, -0.0000088500000000, -0.0005602000000000 ] - [ 0.0000978800000000, 0.0000000000000000, 0.0003694700000000 ] - [ -0.0000461500000000, 0.0000483800000000, 0.0003836200000000 ] - [ -0.0001338000000000, 0.0000088500000000, -0.0005602000000000 ] - [ -0.0002098300000000, 0.0000000000000000, -0.0000522600000000 ] - [ 0.0000759500000000, 0.0001676500000000, 0.0003910500000000 ] - [ 0.0004095200000000, 0.0000000000000000, 0.0003258000000000 ] - [ 0.0000381400000000, 0.0000000000000000, 0.0000339300000000 ] - [ 0.0001640700000000, 0.0000000000000000, 0.0007055200000000 ] - [ -0.0000066200000000, 0.0001762400000000, 0.0006525800000000 ] - [ 0.0000759500000000, -0.0001676500000000, 0.0003910500000000 ] - [ 0.0000990200000000, 0.0000000000000000, 0.0007927900000000 ] - [ -0.0000066200000000, -0.0001762400000000, 0.0006525800000000 ] - [ 0.0001927000000000, 0.0000000000000000, 0.0005180900000000 ] - [ 0.0001734200000000, 0.0000000000000000, 0.0002078600000000 ] - [ -0.0000560000000000, 0.0000237000000000, 0.0008251400000000 ] - [ -0.0000342000000000, -0.0001361500000000, 0.0004759700000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001424400000000, 0.0005236800000000, 0.0002940000000000 ] - [ -0.0000571700000000, -0.0036190300000000, -0.0003841700000000 ] - [ -0.0001041800000000, 0.0001527500000000, 0.0000235000000000 ] - [ -0.0001783900000000, -0.0088351400000000, -0.0003373300000000 ] - [ 0.0021528400000000, 0.0002876500000000, 0.0015384500000000 ] - [ -0.0094734300000000, 0.0280490500000000, 0.0105758600000000 ] - [ -0.0000509100000000, -0.0121823900000000, 0.0001017800000000 ] - [ 0.0084329400000000, 0.0262402300000000, -0.0090118700000000 ] - [ -0.0000949100000000, 0.0182230200000000, 0.0005941600000000 ] - [ -0.0000039800000000, -0.0002192600000000, -0.0000237400000000 ] - [ 0.0000915200000000, -0.0000757400000000, -0.0003570400000000 ] - [ 0.0000468000000000, 0.0000017700000000, -0.0002100900000000 ] - [ 0.0002966400000000, -0.0053247800000000, -0.0001203600000000 ] - [ 0.0000284900000000, 0.0000274400000000, -0.0003307900000000 ] - [ 0.0001032200000000, 0.0000747000000000, -0.0003825300000000 ] - [ 0.0003531600000000, 0.0000185200000000, -0.0001658600000000 ] - [ 0.0000569800000000, 0.0000429400000000, 0.0000009200000000 ] - [ -0.0001209100000000, -0.0000158400000000, 0.0002933300000000 ] - [ -0.0001207700000000, 0.0001186000000000, 0.0004516600000000 ] - [ 0.0002070000000000, -0.0000019500000000, 0.0005449800000000 ] - [ 0.0000599900000000, -0.0000414300000000, 0.0000038800000000 ] - [ -0.0000954100000000, -0.0001168300000000, 0.0004815300000000 ] - [ 0.0001970500000000, 0.0000010600000000, 0.0003787700000000 ] - [ 0.0000319900000000, 0.0000361100000000, -0.0001275500000000 ] - [ 0.0001444700000000, 0.0000035000000000, 0.0002955200000000 ] - [ -0.0000604400000000, 0.0000830800000000, -0.0003871700000000 ] - [ -0.0019940600000000, 0.0003672100000000, -0.0016138100000000 ] - [ -0.0001428700000000, 0.0102566600000000, -0.0003555100000000 ] - [ 0.0002677900000000, 0.0000457200000000, -0.0000989900000000 ] - [ 0.0007897300000000, 0.0000735700000000, 0.0009783600000000 ] - [ -0.0000803700000000, 0.0028349500000000, 0.0000942400000000 ] - [ -0.0008333900000000, 0.0000621000000000, -0.0009665100000000 ] - [ -0.0000993300000000, -0.0010480700000000, 0.0000660500000000 ] - [ 0.0000128500000000, 0.0043289400000000, -0.0000237100000000 ] - [ -0.0000754100000000, -0.0000668400000000, -0.0007455800000000 ] - [ 0.0000465800000000, 0.0000024600000000, -0.0002100400000000 ] - [ 0.0002872200000000, 0.0003133700000000, -0.0001116500000000 ] - [ 0.0000283500000000, 0.0000297300000000, -0.0003301100000000 ] - [ 0.0002745700000000, 0.0000813500000000, 0.0000009100000000 ] - [ 0.0003564000000000, 0.0002813900000000, -0.0001636200000000 ] - [ 0.0000572100000000, 0.0000429000000000, -0.0000000500000000 ] - [ -0.0001212700000000, -0.0000248400000000, 0.0002934700000000 ] - [ -0.0001217500000000, 0.0001183900000000, 0.0004661100000000 ] - [ 0.0002069100000000, -0.0000028200000000, 0.0005449400000000 ] - [ 0.0000595500000000, -0.0000413800000000, 0.0000046400000000 ] - [ -0.0000968900000000, -0.0001164600000000, 0.0004954600000000 ] - [ 0.0001970900000000, -0.0000004900000000, 0.0003788600000000 ] - [ 0.0000318800000000, 0.0001032600000000, -0.0001257400000000 ] - [ -0.0000819800000000, -0.0003972000000000, -0.0002156700000000 ] - [ 0.0000287200000000, -0.0000041800000000, 0.0000161600000000 ] - [ 0.0001319100000000, 0.0000000100000000, 0.0005114500000000 ] - [ -0.0000106100000000, -0.0000333200000000, -0.0002616000000000 ] - [ -0.0000863800000000, 0.0003235300000000, -0.0002130900000000 ] - [ 0.0000290600000000, -0.0000047800000000, 0.0000159900000000 ] - [ 0.0001318800000000, 0.0000010200000000, 0.0005116900000000 ] - [ -0.0000112700000000, -0.0000105600000000, -0.0002617500000000 ] - [ 0.0004851900000000, -0.0000846100000000, -0.0002505900000000 ] - [ -0.0000968900000000, 0.0009787700000000, -0.0002734400000000 ] - [ 0.0000542100000000, -0.0000340700000000, 0.0001531500000000 ] - [ -0.0003422900000000, -0.0009166800000000, -0.0005118400000000 ] - [ -0.0195203600000000, 0.0065537400000000, -0.0034171900000000 ] - [ -0.0001922400000000, 0.0020389800000000, 0.0000104400000000 ] - [ -0.0002193300000000, 0.0012941300000000, -0.0000654200000000 ] - [ -0.0031177000000000, 0.0040471300000000, -0.0075657600000000 ] - [ -0.0004650600000000, 0.0037446300000000, -0.0003577900000000 ] - [ 0.0190904300000000, 0.0068387100000000, 0.0027278900000000 ] - [ -0.0000933500000000, 0.0402117000000000, -0.0002512600000000 ] - [ 0.0029139900000000, 0.0040525900000000, 0.0071868200000000 ] - [ 0.0004296900000000, -0.0001669100000000, -0.0005801400000000 ] - [ 0.0002222400000000, -0.0041286600000000, -0.0001306300000000 ] - [ 0.0014819800000000, -0.1301579400000000, -0.0019807100000000 ] - [ -0.0004843600000000, -0.0002557900000000, 0.0004644600000000 ] - [ -0.0002506500000000, -0.0000908700000000, 0.0003626100000000 ] - [ -0.0000514000000000, 0.0000121700000000, 0.0000635900000000 ] - [ -0.0001828400000000, 0.0000496000000000, -0.0003424100000000 ] - [ 0.0029220500000000, 0.0040429200000000, 0.0089577400000000 ] - [ -0.0000171700000000, -0.0000437300000000, 0.0001470100000000 ] - [ 0.0001324100000000, 0.0000248000000000, -0.0002418600000000 ] - [ 0.0001716300000000, 0.0009152700000000, -0.0002158300000000 ] - [ -0.0000439200000000, -0.0000388600000000, -0.0005583900000000 ] - [ 0.0001092000000000, -0.0000005900000000, 0.0001558700000000 ] - [ -0.0000224900000000, 0.0000422800000000, 0.0001566900000000 ] - [ -0.0001351300000000, 0.0000219700000000, -0.0004571300000000 ] - [ -0.0001945400000000, -0.0000039800000000, -0.0001974200000000 ] - [ 0.0000231200000000, 0.0001638900000000, 0.0001993900000000 ] - [ 0.0004070400000000, 0.0000007100000000, 0.0001464800000000 ] - [ 0.0000639500000000, 0.0000019500000000, -0.0001345000000000 ] - [ -0.0000443100000000, -0.0000048700000000, 0.0003725900000000 ] - [ -0.0000055400000000, 0.0001865500000000, 0.0004548400000000 ] - [ 0.0000176600000000, -0.0001620700000000, 0.0002057800000000 ] - [ 0.0000664500000000, -0.0000047700000000, 0.0005544200000000 ] - [ -0.0000061000000000, -0.0001861700000000, 0.0004573800000000 ] - [ 0.0000566300000000, 0.0000019700000000, 0.0003392300000000 ] - [ 0.0002017800000000, 0.0000035700000000, 0.0000406900000000 ] - [ -0.0000864500000000, 0.0001362500000000, 0.0004375900000000 ] - [ -0.0000837900000000, -0.0001202200000000, 0.0005063700000000 ] - [ -0.0000703000000000, 0.0000402100000000, 0.0000643000000000 ] - [ -0.0001004000000000, -0.0013848500000000, -0.0002620500000000 ] - [ -0.0004983300000000, -0.0001536600000000, 0.0004696700000000 ] - [ -0.0003415900000000, 0.0000583400000000, -0.0005123600000000 ] - [ -0.0048573300000000, 0.0009453900000000, -0.0005599700000000 ] - [ -0.0002240200000000, -0.0034870300000000, 0.0000439700000000 ] - [ -0.0002236400000000, -0.0000381100000000, -0.0000593300000000 ] - [ -0.0001307000000000, -0.0001374800000000, 0.0002465000000000 ] - [ -0.0004487500000000, -0.0007611500000000, -0.0003727300000000 ] - [ 0.0046391100000000, 0.0011490600000000, -0.0001149100000000 ] - [ -0.0000822400000000, -0.0017633300000000, -0.0002292600000000 ] - [ -0.0000439800000000, -0.0001594000000000, -0.0005822300000000 ] - [ -0.0000436800000000, 0.0000599200000000, 0.0000003600000000 ] - [ 0.0002010200000000, 0.0007012900000000, -0.0000835100000000 ] - [ 0.0002895500000000, 0.0019405500000000, 0.0001074500000000 ] - [ -0.0000025500000000, -0.0000244600000000, -0.0001153600000000 ] - [ -0.0030137500000000, 0.0037611800000000, -0.0088428000000000 ] - [ -0.0000523000000000, -0.0000690700000000, 0.0000639100000000 ] - [ -0.0001821200000000, -0.0007891900000000, -0.0003393500000000 ] - [ 0.0001498500000000, 0.0002108100000000, -0.0003194600000000 ] - [ -0.0000190000000000, -0.0000440900000000, 0.0001474100000000 ] - [ 0.0001334700000000, -0.0000124500000000, -0.0002425900000000 ] - [ 0.0001727300000000, -0.0000211400000000, -0.0002225600000000 ] - [ -0.0001177900000000, -0.0000284500000000, -0.0005716600000000 ] - [ 0.0001092100000000, -0.0000006300000000, 0.0001559000000000 ] - [ -0.0000238300000000, 0.0000423400000000, 0.0001567200000000 ] - [ -0.0000600100000000, 0.0000328600000000, -0.0004419300000000 ] - [ -0.0001940900000000, -0.0000057500000000, -0.0001973600000000 ] - [ 0.0000227600000000, 0.0001637900000000, 0.0001978300000000 ] - [ 0.0004070400000000, 0.0000007500000000, 0.0001465800000000 ] - [ 0.0000641600000000, 0.0000029600000000, -0.0001344300000000 ] - [ -0.0000440600000000, -0.0000279600000000, 0.0003728200000000 ] - [ -0.0000053400000000, 0.0001865500000000, 0.0004548600000000 ] - [ 0.0000181900000000, -0.0001622100000000, 0.0002071900000000 ] - [ 0.0000665300000000, -0.0000021100000000, 0.0005545400000000 ] - [ -0.0000061900000000, -0.0001861500000000, 0.0004575000000000 ] - [ 0.0000571700000000, 0.0000084200000000, 0.0003389900000000 ] - [ 0.0002016400000000, 0.0000079600000000, 0.0000404800000000 ] - [ -0.0000549100000000, 0.0001277400000000, 0.0004597300000000 ] - [ -0.0000524200000000, -0.0001122500000000, 0.0005276600000000 ]- atom: 71 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0002813000000000, 0.0000000000000000, -0.0035802500000000 ] - [ 0.0042553600000000, 0.0000000000000000, -0.0045023500000000 ] - [ 0.0030481300000000, 0.0028584400000000, -0.0019348300000000 ] - [ 0.0016550700000000, 0.0000000000000000, 0.0081272100000000 ] - [ -0.0050218600000000, -0.0007256200000000, -0.0018034900000000 ] - [ -0.0027991600000000, 0.0040513800000000, 0.0336832000000000 ] - [ -0.0035093000000000, 0.0000000000000000, 0.0100622300000000 ] - [ -0.0027991600000000, -0.0040513800000000, 0.0336832000000000 ] - [ -0.0020362200000000, 0.0000000000000000, 0.1569736100000000 ] - [ 0.0001517800000000, 0.0000000000000000, 0.0009752800000000 ] - [ 0.0006692700000000, 0.0003235400000000, -0.0019196900000000 ] - [ 0.0002986600000000, 0.0000000000000000, -0.0026167100000000 ] - [ -0.0070782800000000, 0.0000000000000000, 0.0010764100000000 ] - [ -0.0001750000000000, 0.0000000000000000, -0.0035219200000000 ] - [ 0.0006692700000000, -0.0003235400000000, -0.0019196900000000 ] - [ -0.0011301000000000, 0.0000000000000000, -0.0018272500000000 ] - [ 0.0000081700000000, -0.0001446600000000, -0.0023229100000000 ] - [ 0.0000500300000000, 0.0000000000000000, -0.0019204400000000 ] - [ 0.0000839200000000, 0.0001414400000000, -0.0020497400000000 ] - [ 0.0001938600000000, 0.0000000000000000, -0.0022022900000000 ] - [ 0.0000081700000000, 0.0001446600000000, -0.0023229100000000 ] - [ -0.0003470400000000, -0.0001739600000000, -0.0017405300000000 ] - [ 0.0002136400000000, 0.0000000000000000, -0.0021290200000000 ] - [ 0.0002671100000000, 0.0000000000000000, -0.0026345600000000 ] - [ 0.0000271700000000, 0.0000000000000000, -0.0013939000000000 ] - [ -0.0001011300000000, 0.0000000000000000, -0.0000511800000000 ] - [ -0.0050218600000000, 0.0007256200000000, -0.0018034900000000 ] - [ -0.0031873200000000, 0.0000000000000000, 0.0057782800000000 ] - [ 0.0030481300000000, -0.0028584400000000, -0.0019348300000000 ] - [ -0.0001751200000000, 0.0002931500000000, 0.0074839700000000 ] - [ 0.0049112200000000, 0.0000000000000000, 0.0077106500000000 ] - [ -0.0001751200000000, -0.0002931500000000, 0.0074839700000000 ] - [ -0.0010240600000000, 0.0000000000000000, 0.0042972100000000 ] - [ -0.0014702900000000, 0.0000000000000000, -0.0091654800000000 ] - [ -0.0003598600000000, -0.0000413300000000, -0.0037336300000000 ] - [ 0.0002408200000000, 0.0000000000000000, -0.0025070300000000 ] - [ 0.0091184500000000, 0.0000000000000000, 0.0012132500000000 ] - [ 0.0002168600000000, 0.0000000000000000, -0.0032429900000000 ] - [ -0.0003598600000000, 0.0000413300000000, -0.0037336300000000 ] - [ 0.0014605900000000, 0.0000000000000000, -0.0035085800000000 ] - [ -0.0001113700000000, -0.0001557100000000, -0.0023749500000000 ] - [ -0.0001990400000000, 0.0000000000000000, -0.0022367700000000 ] - [ -0.0003470400000000, 0.0001739600000000, -0.0017405300000000 ] - [ 0.0002249500000000, 0.0000000000000000, -0.0022933300000000 ] - [ -0.0001113700000000, 0.0001557100000000, -0.0023749500000000 ] - [ 0.0000839200000000, -0.0001414400000000, -0.0020497400000000 ] - [ 0.0001774000000000, 0.0000000000000000, -0.0021563700000000 ] - [ -0.0001861300000000, 0.0000000000000000, -0.0036455700000000 ] - [ 0.0021287600000000, 0.0000000000000000, -0.0015839000000000 ] - [ -0.0000080500000000, 0.0000000000000000, -0.0016501600000000 ] - [ 0.0001697700000000, 0.0000000000000000, -0.0013453000000000 ] - [ 0.0002968400000000, 0.0000000000000000, -0.0022682000000000 ] - [ -0.0018945500000000, 0.0000000000000000, 0.0000957500000000 ] - [ 0.0000683600000000, 0.0000000000000000, -0.0019745200000000 ] - [ 0.0000926300000000, 0.0000000000000000, -0.0014441600000000 ] - [ -0.0003019000000000, 0.0000000000000000, -0.0019936800000000 ] - [ -0.0006061700000000, -0.0000386300000000, 0.0019996100000000 ] - [ -0.0020526300000000, 0.0000000000000000, -0.0020132300000000 ] - [ 0.0005883500000000, -0.0001104100000000, 0.0005702000000000 ] - [ 0.0004794100000000, 0.0000000000000000, 0.0012968100000000 ] - [ 0.0033653400000000, -0.0021692100000000, -0.0108986900000000 ] - [ 0.0029374400000000, 0.0000000000000000, -0.0022651300000000 ] - [ 0.0013732000000000, 0.0000000000000000, 0.0040086600000000 ] - [ 0.0045666900000000, -0.0066052600000000, 0.0064428800000000 ] - [ -0.0024753900000000, 0.0000000000000000, -0.0050301500000000 ] - [ 0.0033653400000000, 0.0021692100000000, -0.0108986900000000 ] - [ 0.0002787400000000, 0.0000000000000000, -0.0124305800000000 ] - [ 0.0045666900000000, 0.0066052600000000, 0.0064428800000000 ] - [ -0.0004294700000000, -0.0002325000000000, 0.0027963800000000 ] - [ -0.0204704600000000, 0.0000000000000000, 0.0193320500000000 ] - [ 0.0111859700000000, 0.0000000000000000, -0.2550271300000000 ] - [ -0.0004294700000000, 0.0002325000000000, 0.0027963800000000 ] - [ -0.0018236100000000, 0.0004673300000000, -0.0022751200000000 ] - [ -0.0000715200000000, 0.0000000000000000, 0.0011257800000000 ] - [ -0.0009028400000000, 0.0000000000000000, -0.0000091500000000 ] - [ 0.0066429000000000, 0.0104777400000000, 0.0114837100000000 ] - [ -0.0000654400000000, -0.0000513100000000, 0.0018086800000000 ] - [ 0.0002347100000000, 0.0000000000000000, 0.0018823300000000 ] - [ 0.0020720000000000, 0.0000000000000000, 0.0033887700000000 ] - [ -0.0004758900000000, -0.0001281800000000, 0.0011884200000000 ] - [ 0.0001374900000000, 0.0000000000000000, 0.0019121300000000 ] - [ 0.0000165600000000, 0.0000453900000000, 0.0019797800000000 ] - [ -0.0004758900000000, 0.0001281800000000, 0.0011884200000000 ] - [ -0.0002634900000000, 0.0000000000000000, 0.0015391500000000 ] - [ 0.0000041900000000, 0.0001594600000000, 0.0018124200000000 ] - [ 0.0002893700000000, 0.0000000000000000, 0.0018083100000000 ] - [ 0.0000076900000000, 0.0000000000000000, 0.0015742200000000 ] - [ -0.0000032600000000, 0.0000000000000000, 0.0020600400000000 ] - [ 0.0000322000000000, 0.0001066000000000, 0.0021468300000000 ] - [ 0.0000041900000000, -0.0001594600000000, 0.0018124200000000 ] - [ 0.0001404400000000, 0.0000000000000000, 0.0022296800000000 ] - [ 0.0000322000000000, -0.0001066000000000, 0.0021468300000000 ] - [ -0.0002701500000000, 0.0000000000000000, 0.0016654200000000 ] - [ 0.0001290400000000, 0.0000000000000000, 0.0019847800000000 ] - [ 0.0003526800000000, -0.0002555400000000, 0.0021253900000000 ] - [ -0.0000891800000000, 0.0002026100000000, 0.0018887000000000 ] - [ 0.0005883500000000, 0.0001104100000000, 0.0005702000000000 ] - [ 0.0016775700000000, 0.0000000000000000, -0.0020069900000000 ] - [ -0.0006061700000000, 0.0000386300000000, 0.0019996100000000 ] - [ -0.0011399300000000, 0.0000000000000000, 0.0000662500000000 ] - [ -0.0015181100000000, 0.0005153500000000, -0.0061351400000000 ] - [ -0.0101221800000000, 0.0000000000000000, 0.0070569300000000 ] - [ -0.0017546300000000, 0.0000000000000000, 0.0019003500000000 ] - [ -0.0013649600000000, 0.0008526200000000, -0.0021586900000000 ] - [ 0.0011617600000000, 0.0000000000000000, -0.0040958500000000 ] - [ -0.0015181100000000, -0.0005153500000000, -0.0061351400000000 ] - [ 0.0005419600000000, 0.0000000000000000, -0.0039824300000000 ] - [ -0.0013649600000000, -0.0008526200000000, -0.0021586900000000 ] - [ 0.0003211900000000, 0.0000594600000000, 0.0000376400000000 ] - [ 0.0027190700000000, 0.0000000000000000, -0.0032209300000000 ] - [ 0.0009511100000000, 0.0000000000000000, -0.0041146100000000 ] - [ 0.0003211900000000, -0.0000594600000000, 0.0000376400000000 ] - [ 0.0066429000000000, -0.0104777400000000, 0.0114837100000000 ] - [ 0.0000142500000000, 0.0000000000000000, 0.0021556200000000 ] - [ 0.0008213700000000, 0.0000000000000000, 0.0019678100000000 ] - [ -0.0018236100000000, -0.0004673300000000, -0.0022751200000000 ] - [ 0.0000165600000000, -0.0000453900000000, 0.0019797800000000 ] - [ -0.0001447200000000, 0.0000000000000000, 0.0012437200000000 ] - [ -0.0018104200000000, 0.0000000000000000, 0.0021161100000000 ] - [ 0.0003761700000000, -0.0001021900000000, 0.0013567000000000 ] - [ 0.0000826700000000, 0.0000000000000000, 0.0018426800000000 ] - [ -0.0000654400000000, 0.0000513100000000, 0.0018086800000000 ] - [ 0.0003761700000000, 0.0001021900000000, 0.0013567000000000 ] - [ -0.0001121300000000, 0.0000000000000000, 0.0015426400000000 ] - [ 0.0000328800000000, 0.0001613300000000, 0.0019706100000000 ] - [ 0.0003450400000000, 0.0000000000000000, 0.0018677400000000 ] - [ 0.0001215700000000, 0.0000000000000000, 0.0015585900000000 ] - [ -0.0000831900000000, 0.0000000000000000, 0.0026931700000000 ] - [ 0.0000417500000000, 0.0001114100000000, 0.0021485000000000 ] - [ 0.0000328800000000, -0.0001613300000000, 0.0019706100000000 ] - [ -0.0000049200000000, 0.0000000000000000, 0.0022548400000000 ] - [ 0.0000417500000000, -0.0001114100000000, 0.0021485000000000 ] - [ -0.0004209300000000, 0.0000000000000000, 0.0020510700000000 ] - [ 0.0002753800000000, 0.0000000000000000, 0.0020041600000000 ] - [ -0.0000891800000000, -0.0002026100000000, 0.0018887000000000 ] - [ 0.0003526800000000, 0.0002555400000000, 0.0021253900000000 ]- atom: 71 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0000079400000000, 0.0000000000000000, 0.0041938200000000 ] - [ -0.0044192400000000, 0.0000000000000000, 0.0037504500000000 ] - [ -0.0029190700000000, -0.0028065500000000, 0.0018677400000000 ] - [ -0.0018456000000000, 0.0000000000000000, -0.0089404000000000 ] - [ 0.0052402700000000, 0.0006506700000000, 0.0017234700000000 ] - [ 0.0022432200000000, -0.0031561200000000, -0.0331281400000000 ] - [ 0.0033682100000000, 0.0000000000000000, -0.0101006300000000 ] - [ 0.0022432200000000, 0.0031561200000000, -0.0331281400000000 ] - [ 0.0022858500000000, 0.0000000000000000, -0.1672408800000000 ] - [ -0.0001599500000000, 0.0000000000000000, -0.0010051800000000 ] - [ -0.0004715100000000, -0.0004685400000000, 0.0011889200000000 ] - [ -0.0002059300000000, 0.0000000000000000, 0.0022052000000000 ] - [ 0.0076805400000000, 0.0000000000000000, -0.0012717200000000 ] - [ 0.0002314800000000, 0.0000000000000000, 0.0028714000000000 ] - [ -0.0004715100000000, 0.0004685400000000, 0.0011889200000000 ] - [ 0.0018343200000000, 0.0000000000000000, 0.0015054700000000 ] - [ 0.0001092200000000, 0.0002298100000000, 0.0023362800000000 ] - [ -0.0002951400000000, 0.0000000000000000, 0.0025131900000000 ] - [ -0.0003028500000000, 0.0000928800000000, 0.0030065300000000 ] - [ 0.0002203200000000, 0.0000000000000000, 0.0033015900000000 ] - [ 0.0001092200000000, -0.0002298100000000, 0.0023362800000000 ] - [ 0.0001323000000000, -0.0000597900000000, 0.0026935300000000 ] - [ 0.0001802100000000, 0.0000000000000000, 0.0028955600000000 ] - [ -0.0002064100000000, 0.0000000000000000, 0.0023870800000000 ] - [ 0.0002597100000000, 0.0000000000000000, 0.0019828700000000 ] - [ -0.0000316200000000, 0.0000000000000000, -0.0007456300000000 ] - [ 0.0052402700000000, -0.0006506700000000, 0.0017234700000000 ] - [ 0.0029202200000000, 0.0000000000000000, -0.0065740300000000 ] - [ -0.0029190700000000, 0.0028065500000000, 0.0018677400000000 ] - [ 0.0001347400000000, -0.0002852900000000, -0.0074461300000000 ] - [ -0.0051429300000000, 0.0000000000000000, -0.0076409400000000 ] - [ 0.0001347400000000, 0.0002852900000000, -0.0074461300000000 ] - [ 0.0008138700000000, 0.0000000000000000, -0.0042334600000000 ] - [ 0.0014615300000000, 0.0000000000000000, 0.0091095700000000 ] - [ 0.0005577600000000, -0.0001034700000000, 0.0029984900000000 ] - [ -0.0001486100000000, 0.0000000000000000, 0.0020956900000000 ] - [ -0.0085073700000000, 0.0000000000000000, -0.0014094800000000 ] - [ -0.0001602300000000, 0.0000000000000000, 0.0025928800000000 ] - [ 0.0005577600000000, 0.0001034700000000, 0.0029984900000000 ] - [ -0.0007525100000000, 0.0000000000000000, 0.0031832600000000 ] - [ 0.0002287800000000, 0.0002408300000000, 0.0023886400000000 ] - [ -0.0000426100000000, 0.0000000000000000, 0.0028324900000000 ] - [ 0.0001323000000000, 0.0000597900000000, 0.0026935300000000 ] - [ 0.0001887100000000, 0.0000000000000000, 0.0033936800000000 ] - [ 0.0002287800000000, -0.0002408300000000, 0.0023886400000000 ] - [ -0.0003028500000000, -0.0000928800000000, 0.0030065300000000 ] - [ 0.0002170800000000, 0.0000000000000000, 0.0029228100000000 ] - [ 0.0002535300000000, 0.0000000000000000, 0.0034068600000000 ] - [ -0.0022922200000000, 0.0000000000000000, 0.0011740100000000 ] - [ 0.0000655500000000, 0.0000000000000000, 0.0016891600000000 ] - [ 0.0000935300000000, 0.0000000000000000, 0.0023747900000000 ] - [ -0.0003180800000000, 0.0000000000000000, 0.0017519900000000 ] - [ 0.0017223500000000, 0.0000000000000000, -0.0005091700000000 ] - [ -0.0000104700000000, 0.0000000000000000, 0.0020131000000000 ] - [ 0.0001716200000000, 0.0000000000000000, 0.0024744700000000 ] - [ 0.0002797000000000, 0.0000000000000000, 0.0014777200000000 ] - [ 0.0005967900000000, 0.0001151100000000, -0.0017912200000000 ] - [ 0.0018665800000000, 0.0000000000000000, 0.0015249500000000 ] - [ -0.0006056900000000, 0.0000353800000000, -0.0003422000000000 ] - [ -0.0011777000000000, 0.0000000000000000, -0.0023244700000000 ] - [ -0.0034374900000000, 0.0018519500000000, 0.0103502600000000 ] - [ -0.0033580200000000, 0.0000000000000000, 0.0023450300000000 ] - [ -0.0018327100000000, 0.0000000000000000, -0.0041641100000000 ] - [ -0.0048220900000000, 0.0067517400000000, -0.0068784300000000 ] - [ 0.0015733500000000, 0.0000000000000000, 0.0042438000000000 ] - [ -0.0034374900000000, -0.0018519500000000, 0.0103502600000000 ] - [ -0.0004575200000000, 0.0000000000000000, 0.0120640100000000 ] - [ -0.0048220900000000, -0.0067517400000000, -0.0068784300000000 ] - [ 0.0003805900000000, 0.0003174800000000, -0.0029202300000000 ] - [ 0.0205988700000000, 0.0000000000000000, -0.0192559800000000 ] - [ -0.0102139900000000, 0.0000000000000000, 0.2642832700000000 ] - [ 0.0003805900000000, -0.0003174800000000, -0.0029202300000000 ] - [ 0.0017153800000000, -0.0007640800000000, 0.0023019000000000 ] - [ -0.0000315000000000, 0.0000000000000000, -0.0010085800000000 ] - [ 0.0005374800000000, 0.0000000000000000, -0.0006881900000000 ] - [ -0.0066786300000000, -0.0100391100000000, -0.0113042100000000 ] - [ 0.0000241500000000, -0.0000352200000000, -0.0015128600000000 ] - [ 0.0000297100000000, 0.0000000000000000, -0.0023726400000000 ] - [ -0.0017239500000000, 0.0000000000000000, -0.0038209100000000 ] - [ 0.0002976600000000, 0.0000657500000000, -0.0022104100000000 ] - [ 0.0000807100000000, 0.0000000000000000, -0.0016066500000000 ] - [ -0.0000583700000000, 0.0000413600000000, -0.0016837900000000 ] - [ 0.0002976600000000, -0.0000657500000000, -0.0022104100000000 ] - [ -0.0001249400000000, 0.0000000000000000, -0.0019416400000000 ] - [ 0.0000364800000000, 0.0001659300000000, -0.0014123800000000 ] - [ 0.0005253300000000, 0.0000000000000000, -0.0015220100000000 ] - [ 0.0001201300000000, 0.0000000000000000, -0.0018499500000000 ] - [ -0.0000852700000000, 0.0000000000000000, -0.0013163100000000 ] - [ -0.0000442500000000, 0.0002666200000000, -0.0012411300000000 ] - [ 0.0000364800000000, -0.0001659300000000, -0.0014123800000000 ] - [ -0.0000075900000000, 0.0000000000000000, -0.0011263700000000 ] - [ -0.0000442500000000, -0.0002666200000000, -0.0012411300000000 ] - [ 0.0003847500000000, 0.0000000000000000, -0.0009902000000000 ] - [ 0.0002751700000000, 0.0000000000000000, -0.0019098800000000 ] - [ -0.0004945500000000, 0.0005050000000000, -0.0011656300000000 ] - [ -0.0000477200000000, -0.0004515800000000, -0.0009270500000000 ] - [ -0.0006056900000000, -0.0000353800000000, -0.0003422000000000 ] - [ -0.0018948500000000, 0.0000000000000000, 0.0015319000000000 ] - [ 0.0005967900000000, -0.0001151100000000, -0.0017912200000000 ] - [ 0.0004618600000000, 0.0000000000000000, -0.0010827400000000 ] - [ 0.0012187500000000, -0.0007342500000000, 0.0054970800000000 ] - [ 0.0098876600000000, 0.0000000000000000, -0.0071299600000000 ] - [ 0.0013323200000000, 0.0000000000000000, -0.0020355000000000 ] - [ 0.0012137400000000, -0.0008472600000000, 0.0018585700000000 ] - [ -0.0020609800000000, 0.0000000000000000, 0.0033383800000000 ] - [ 0.0012187500000000, 0.0007342500000000, 0.0054970800000000 ] - [ -0.0006851900000000, 0.0000000000000000, 0.0035340200000000 ] - [ 0.0012137400000000, 0.0008472600000000, 0.0018585700000000 ] - [ -0.0003679900000000, 0.0000254900000000, -0.0001634100000000 ] - [ -0.0023154000000000, 0.0000000000000000, 0.0030398600000000 ] - [ -0.0003642500000000, 0.0000000000000000, 0.0043330600000000 ] - [ -0.0003679900000000, -0.0000254900000000, -0.0001634100000000 ] - [ -0.0066786300000000, 0.0100391100000000, -0.0113042100000000 ] - [ -0.0001180300000000, 0.0000000000000000, -0.0020371100000000 ] - [ -0.0011860600000000, 0.0000000000000000, -0.0026616000000000 ] - [ 0.0017153800000000, 0.0007640800000000, 0.0023019000000000 ] - [ -0.0000583700000000, -0.0000413600000000, -0.0016837900000000 ] - [ 0.0004089700000000, 0.0000000000000000, -0.0017344500000000 ] - [ 0.0021435400000000, 0.0000000000000000, -0.0025517600000000 ] - [ -0.0005532000000000, 0.0000395000000000, -0.0023779300000000 ] - [ 0.0001357800000000, 0.0000000000000000, -0.0015367500000000 ] - [ 0.0000241500000000, 0.0000352200000000, -0.0015128600000000 ] - [ -0.0005532000000000, -0.0000395000000000, -0.0023779300000000 ] - [ -0.0002753400000000, 0.0000000000000000, -0.0019454600000000 ] - [ 0.0000072700000000, 0.0001639800000000, -0.0015724100000000 ] - [ 0.0004693300000000, 0.0000000000000000, -0.0015814600000000 ] - [ 0.0000065800000000, 0.0000000000000000, -0.0018344900000000 ] - [ -0.0000053100000000, 0.0000000000000000, -0.0019570800000000 ] - [ -0.0000535400000000, 0.0002617100000000, -0.0012429100000000 ] - [ 0.0000072700000000, -0.0001639800000000, -0.0015724100000000 ] - [ 0.0001392900000000, 0.0000000000000000, -0.0011521300000000 ] - [ -0.0000535400000000, -0.0002617100000000, -0.0012429100000000 ] - [ 0.0005364100000000, 0.0000000000000000, -0.0013800100000000 ] - [ 0.0001272100000000, 0.0000000000000000, -0.0019293300000000 ] - [ -0.0000477200000000, 0.0004515800000000, -0.0009270500000000 ] - [ -0.0004945500000000, -0.0005050000000000, -0.0011656300000000 ]- atom: 73 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0001492800000000, 0.0000241600000000, 0.0000916700000000 ] - [ -0.0009951100000000, -0.0001165500000000, -0.0001977700000000 ] - [ -0.0003730700000000, 0.0000418100000000, -0.0009292400000000 ] - [ -0.0045381700000000, -0.0001040000000000, -0.0016638700000000 ] - [ 0.0005747200000000, -0.0000793700000000, 0.0003737100000000 ] - [ -0.0080542400000000, -0.0007848200000000, 0.0048999500000000 ] - [ -0.0004891300000000, -0.0012435000000000, 0.0028258300000000 ] - [ -0.0048314600000000, 0.0009434600000000, 0.0051864800000000 ] - [ -0.0019619400000000, 0.0002437700000000, 0.0012676100000000 ] - [ 0.0309638700000000, -0.0204640300000000, -0.0093317000000000 ] - [ 0.0056245800000000, 0.0006740600000000, -0.0026865400000000 ] - [ -0.0001691000000000, 0.0000182000000000, -0.0004926900000000 ] - [ -0.0110131000000000, -0.0011277400000000, 0.0031561600000000 ] - [ -0.0005576600000000, 0.0001980800000000, -0.0000778000000000 ] - [ 0.0074467600000000, -0.0007676600000000, -0.0032171400000000 ] - [ -0.0006123700000000, 0.0022331200000000, 0.0028521300000000 ] - [ 0.0001226300000000, -0.0000202700000000, -0.0005024500000000 ] - [ -0.0000904000000000, -0.0000002400000000, -0.0000840900000000 ] - [ -0.0001613600000000, 0.0001166900000000, 0.0001654600000000 ] - [ 0.0002141600000000, 0.0000010400000000, 0.0001274300000000 ] - [ 0.0001226200000000, 0.0000198400000000, -0.0005188200000000 ] - [ -0.0000572900000000, -0.0001214500000000, 0.0001464100000000 ] - [ 0.0002721600000000, -0.0000004700000000, 0.0000449900000000 ] - [ 0.0000529100000000, -0.0000004900000000, -0.0006917400000000 ] - [ 0.0004476000000000, -0.0000056000000000, -0.0002228400000000 ] - [ 0.0009471700000000, 0.0000626100000000, -0.0012276300000000 ] - [ 0.0004600000000000, 0.0000830700000000, 0.0002054400000000 ] - [ 0.0048220300000000, 0.0019063800000000, 0.0032977400000000 ] - [ -0.0004327500000000, -0.0000506300000000, -0.0009829300000000 ] - [ 0.0088902700000000, 0.0000553700000000, -0.0048126300000000 ] - [ -0.0002153900000000, 0.0001607500000000, -0.0030358100000000 ] - [ 0.0260493700000000, -0.0011754100000000, 0.0013114200000000 ] - [ 0.0017130000000000, -0.0004549900000000, -0.0028270900000000 ] - [ -0.0078520300000000, -0.0000402400000000, -0.0016243300000000 ] - [ -0.0027797200000000, -0.0004158500000000, -0.0001055000000000 ] - [ 0.0002858400000000, -0.0000001800000000, -0.0005347000000000 ] - [ 0.0525762400000000, -0.0535501500000000, 0.0194854200000000 ] - [ 0.0009302100000000, -0.0001055900000000, -0.0015512300000000 ] - [ -0.0023334200000000, 0.0003897100000000, 0.0001023600000000 ] - [ -0.0026440800000000, -0.0000355200000000, -0.0029071300000000 ] - [ -0.0000058500000000, 0.0000523600000000, -0.0001431000000000 ] - [ -0.0001476700000000, -0.0000004100000000, 0.0000353600000000 ] - [ -0.0000589300000000, 0.0001216800000000, 0.0001464100000000 ] - [ 0.0002054000000000, 0.0000007200000000, 0.0002179400000000 ] - [ 0.0000123500000000, -0.0000519200000000, -0.0001169100000000 ] - [ -0.0001604300000000, -0.0001164900000000, 0.0001672900000000 ] - [ 0.0001149700000000, -0.0000018500000000, 0.0000457300000000 ] - [ 0.0000130800000000, 0.0000005300000000, -0.0003078100000000 ] - [ -0.0052543100000000, -0.0028427700000000, -0.0038084000000000 ] - [ 0.0003784100000000, -0.0000042000000000, -0.0000370300000000 ] - [ 0.0001465900000000, -0.0000032100000000, 0.0002211400000000 ] - [ -0.0005685500000000, 0.0000897000000000, -0.0011387700000000 ] - [ -0.0024603000000000, -0.0030920100000000, 0.0069445900000000 ] - [ -0.0003736700000000, -0.0000388400000000, -0.0002829000000000 ] - [ 0.0001165400000000, -0.0000033900000000, 0.0002974300000000 ] - [ 0.0001934100000000, -0.0002528900000000, 0.0004241400000000 ] - [ 0.0004173100000000, 0.0000695300000000, 0.0003181400000000 ] - [ 0.0009097200000000, 0.0000508400000000, 0.0005815500000000 ] - [ -0.0003444800000000, -0.0000729100000000, 0.0002580900000000 ] - [ -0.0004059000000000, -0.0000280800000000, -0.0005784800000000 ] - [ 0.0008612900000000, 0.0007145500000000, -0.0058709700000000 ] - [ -0.0014926200000000, 0.0002026900000000, -0.0002076800000000 ] - [ -0.0003208100000000, 0.0000277100000000, -0.0001404000000000 ] - [ 0.0004964500000000, 0.0001773100000000, -0.0013672900000000 ] - [ 0.0076582700000000, 0.0049206600000000, -0.0040182200000000 ] - [ -0.0013865000000000, -0.0000773300000000, -0.0026460300000000 ] - [ 0.0030899500000000, 0.0001043800000000, -0.0020564500000000 ] - [ 0.0002053200000000, -0.0000704300000000, -0.0008269900000000 ] - [ 0.0024826300000000, -0.0002607400000000, 0.0009669100000000 ] - [ 0.0140595200000000, -0.0069950200000000, -0.0019052200000000 ] - [ 0.0024766400000000, -0.0001997300000000, -0.0020037100000000 ] - [ 0.0027715200000000, 0.0001400800000000, 0.0012162700000000 ] - [ -0.1523906200000000, 0.0882102600000000, -0.0235565800000000 ] - [ -0.0024763100000000, -0.0009022300000000, -0.0006022900000000 ] - [ -0.0034925100000000, 0.0048207200000000, 0.0071694100000000 ] - [ 0.0056291600000000, 0.0014911500000000, 0.0002475800000000 ] - [ -0.0002793500000000, -0.0000598700000000, 0.0004698300000000 ] - [ 0.0012245400000000, -0.0000512900000000, -0.0001200800000000 ] - [ 0.0024660200000000, -0.0001475100000000, -0.0020199400000000 ] - [ 0.0001680500000000, -0.0002680200000000, 0.0018666400000000 ] - [ 0.0001509300000000, -0.0000054100000000, 0.0003079500000000 ] - [ 0.0001662700000000, 0.0000260800000000, 0.0002718800000000 ] - [ -0.0001169200000000, 0.0002556500000000, 0.0010878800000000 ] - [ -0.0001284900000000, 0.0000337600000000, 0.0003993600000000 ] - [ 0.0000109500000000, 0.0001630800000000, 0.0004550100000000 ] - [ 0.0003560400000000, 0.0000006900000000, 0.0004240300000000 ] - [ 0.0001837400000000, -0.0000175200000000, 0.0003137500000000 ] - [ -0.0000956200000000, -0.0000003700000000, 0.0006853300000000 ] - [ 0.0000721000000000, 0.0001745400000000, 0.0007324600000000 ] - [ 0.0000106000000000, -0.0001630700000000, 0.0004558400000000 ] - [ 0.0000576600000000, -0.0000000300000000, 0.0007796100000000 ] - [ 0.0000650300000000, -0.0001747400000000, 0.0007342900000000 ] - [ -0.0000439100000000, 0.0000004400000000, 0.0005744200000000 ] - [ 0.0002049900000000, 0.0000001400000000, 0.0003065900000000 ] - [ -0.0000754000000000, 0.0000952300000000, 0.0006245000000000 ] - [ -0.0000151600000000, -0.0000672500000000, 0.0007375200000000 ] - [ -0.0003755500000000, 0.0000736800000000, 0.0002531000000000 ] - [ -0.0011956900000000, -0.0001623300000000, -0.0006634900000000 ] - [ 0.0003697400000000, -0.0000794400000000, 0.0003605600000000 ] - [ -0.0003698100000000, 0.0000223300000000, -0.0000421500000000 ] - [ 0.0019398000000000, 0.0002959000000000, 0.0032630800000000 ] - [ 0.0008362100000000, -0.0000410000000000, 0.0006641700000000 ] - [ -0.0001182200000000, -0.0000262800000000, 0.0006046700000000 ] - [ -0.0001823300000000, -0.0003360600000000, 0.0013374000000000 ] - [ 0.0159335500000000, 0.0186381500000000, 0.0053561200000000 ] - [ 0.0021431800000000, -0.0001165400000000, 0.0026877000000000 ] - [ -0.0045619200000000, 0.0010474000000000, 0.0024579700000000 ] - [ -0.0002886400000000, 0.0002275700000000, 0.0010120300000000 ] - [ 0.0010158700000000, -0.0014471600000000, -0.0144111700000000 ] - [ 0.0225940700000000, -0.0149679200000000, -0.0004492100000000 ] - [ -0.0015855900000000, -0.0029744700000000, 0.0071262800000000 ] - [ -0.0031737500000000, -0.0008159500000000, -0.0023092200000000 ] - [ 0.0078238400000000, -0.0019709600000000, 0.0005182500000000 ] - [ 0.0011068000000000, -0.0000094600000000, 0.0004540100000000 ] - [ 0.0023404800000000, 0.0000787800000000, -0.0013526900000000 ] - [ -0.0106096500000000, -0.0049999000000000, -0.0019332300000000 ] - [ 0.0002005900000000, -0.0000402700000000, 0.0001976500000000 ] - [ -0.0017941500000000, 0.0004087800000000, 0.0000082600000000 ] - [ -0.0006604200000000, -0.0051628400000000, 0.0090866200000000 ] - [ 0.0007938300000000, -0.0000734400000000, -0.0017299700000000 ] - [ 0.0000548500000000, -0.0000014800000000, 0.0004510400000000 ] - [ -0.0002444400000000, 0.0000647000000000, 0.0004781600000000 ] - [ 0.0001918200000000, -0.0000761000000000, -0.0010677500000000 ] - [ -0.0002400100000000, -0.0000255200000000, -0.0002500000000000 ] - [ 0.0000297800000000, 0.0001637500000000, 0.0003985100000000 ] - [ 0.0004264900000000, 0.0000026900000000, 0.0003142200000000 ] - [ -0.0000422900000000, 0.0000120600000000, -0.0000840900000000 ] - [ 0.0000061600000000, -0.0000015800000000, 0.0006149800000000 ] - [ -0.0000638000000000, 0.0001769000000000, 0.0006351800000000 ] - [ 0.0000299200000000, -0.0001636800000000, 0.0003991200000000 ] - [ 0.0000739000000000, 0.0000000600000000, 0.0007803000000000 ] - [ -0.0000614800000000, -0.0001767400000000, 0.0006363600000000 ] - [ 0.0000589900000000, 0.0000010100000000, 0.0004990400000000 ] - [ 0.0001989800000000, 0.0000002400000000, 0.0002913100000000 ] - [ -0.0000128100000000, 0.0000674600000000, 0.0007368100000000 ] - [ -0.0000745000000000, -0.0000946700000000, 0.0006259100000000 ]- atom: 73 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0004383700000000, -0.0000238600000000, 0.0005042900000000 ] - [ 0.0008702600000000, 0.0001165300000000, -0.0005738300000000 ] - [ 0.0005282000000000, 0.0000374600000000, 0.0008603800000000 ] - [ 0.0043025100000000, 0.0001044000000000, 0.0009645000000000 ] - [ -0.0004113800000000, 0.0000008300000000, -0.0004419800000000 ] - [ 0.0079876900000000, 0.0007751800000000, -0.0048487800000000 ] - [ 0.0002978500000000, 0.0012423500000000, -0.0026526400000000 ] - [ 0.0047920800000000, -0.0009317800000000, -0.0051421900000000 ] - [ 0.0017640100000000, -0.0002428800000000, -0.0011343700000000 ] - [ -0.0308624000000000, 0.0208191200000000, 0.0094766500000000 ] - [ -0.0054384100000000, -0.0008068600000000, 0.0019685800000000 ] - [ 0.0002632100000000, -0.0000178400000000, 0.0000759200000000 ] - [ 0.0116312200000000, 0.0011416300000000, -0.0034087500000000 ] - [ 0.0006109300000000, -0.0001967600000000, -0.0005808200000000 ] - [ -0.0072401200000000, 0.0009031600000000, 0.0025187200000000 ] - [ 0.0012969700000000, -0.0022190100000000, -0.0031752700000000 ] - [ -0.0000044900000000, 0.0001054500000000, 0.0005121300000000 ] - [ -0.0001518900000000, 0.0000004300000000, 0.0006751000000000 ] - [ -0.0000561600000000, 0.0001182700000000, 0.0007866600000000 ] - [ 0.0002001700000000, -0.0000007200000000, 0.0009679700000000 ] - [ -0.0000044500000000, -0.0001046300000000, 0.0005284100000000 ] - [ -0.0001597900000000, -0.0001131500000000, 0.0008054400000000 ] - [ 0.0001218700000000, 0.0000004900000000, 0.0007175300000000 ] - [ 0.0000113100000000, 0.0000007200000000, 0.0004434100000000 ] - [ -0.0001579000000000, 0.0000057300000000, 0.0008164600000000 ] - [ -0.0010685900000000, -0.0000620000000000, 0.0004490900000000 ] - [ -0.0002968500000000, -0.0000041300000000, -0.0002742400000000 ] - [ -0.0050190000000000, -0.0019026700000000, -0.0039941600000000 ] - [ 0.0005874100000000, -0.0000282900000000, 0.0009140400000000 ] - [ -0.0090149900000000, -0.0000685700000000, 0.0048322400000000 ] - [ -0.0000068900000000, -0.0001592400000000, 0.0032028600000000 ] - [ -0.0277243700000000, 0.0011841900000000, -0.0028387700000000 ] - [ -0.0019066300000000, 0.0004529700000000, 0.0029314600000000 ] - [ 0.0078220000000000, 0.0000387500000000, 0.0015356400000000 ] - [ 0.0029683200000000, 0.0002686300000000, -0.0006475000000000 ] - [ -0.0001938000000000, 0.0000003000000000, 0.0001198100000000 ] - [ -0.0512273800000000, 0.0513179600000000, -0.0190740600000000 ] - [ -0.0008729800000000, 0.0001068600000000, 0.0008990700000000 ] - [ 0.0025265100000000, -0.0002423500000000, -0.0008536500000000 ] - [ 0.0033790700000000, 0.0000418200000000, 0.0025644800000000 ] - [ 0.0001219600000000, 0.0000325600000000, 0.0001517900000000 ] - [ -0.0000944400000000, 0.0000006300000000, 0.0005558800000000 ] - [ -0.0001580200000000, 0.0001133100000000, 0.0008054100000000 ] - [ 0.0002083600000000, -0.0000005000000000, 0.0008774800000000 ] - [ 0.0001039800000000, -0.0000326100000000, 0.0001256600000000 ] - [ -0.0000571300000000, -0.0001180900000000, 0.0007848800000000 ] - [ 0.0002795900000000, 0.0000020500000000, 0.0007164600000000 ] - [ 0.0000516500000000, -0.0000003600000000, 0.0000610100000000 ] - [ 0.0050865400000000, 0.0027982100000000, 0.0033397200000000 ] - [ -0.0003217500000000, -0.0000025400000000, 0.0000755800000000 ] - [ 0.0001172700000000, -0.0000030100000000, 0.0008052800000000 ] - [ 0.0005543200000000, -0.0000834600000000, 0.0006189800000000 ] - [ 0.0022498100000000, 0.0030889900000000, -0.0073962800000000 ] - [ 0.0004328000000000, 0.0000320900000000, 0.0003159300000000 ] - [ 0.0001473900000000, -0.0000028500000000, 0.0007288900000000 ] - [ -0.0002193500000000, 0.0002589400000000, -0.0009422300000000 ] - [ -0.0004321200000000, 0.0000040200000000, -0.0001042800000000 ] - [ -0.0011107900000000, -0.0000507500000000, -0.0011088500000000 ] - [ 0.0003280300000000, -0.0000007600000000, -0.0000427800000000 ] - [ -0.0002798100000000, 0.0000281100000000, -0.0004461600000000 ] - [ -0.0011219300000000, -0.0009328700000000, 0.0051655900000000 ] - [ 0.0010986400000000, -0.0002019900000000, 0.0002260900000000 ] - [ -0.0001196200000000, -0.0000274500000000, 0.0000072700000000 ] - [ -0.0006663900000000, -0.0001604800000000, 0.0010312600000000 ] - [ -0.0084963600000000, -0.0048611500000000, 0.0032472700000000 ] - [ 0.0011128700000000, 0.0003012700000000, 0.0019666900000000 ] - [ -0.0032526800000000, -0.0001052400000000, 0.0015887400000000 ] - [ -0.0003761300000000, 0.0000540900000000, 0.0004925700000000 ] - [ -0.0025381600000000, 0.0003426300000000, -0.0010642100000000 ] - [ -0.0135141100000000, 0.0068849800000000, 0.0017263800000000 ] - [ -0.0018941900000000, 0.0002006800000000, 0.0022036700000000 ] - [ -0.0028196900000000, -0.0002235800000000, -0.0013113000000000 ] - [ 0.1535198400000000, -0.0865249800000000, 0.0243845900000000 ] - [ 0.0023770300000000, 0.0009023800000000, 0.0007218600000000 ] - [ 0.0030819000000000, -0.0048318800000000, -0.0078867900000000 ] - [ -0.0057265200000000, -0.0011924400000000, -0.0001978000000000 ] - [ 0.0002383200000000, -0.0000265100000000, -0.0001708100000000 ] - [ -0.0009575200000000, 0.0000515800000000, -0.0003588400000000 ] - [ -0.0021160000000000, 0.0001441900000000, 0.0016013900000000 ] - [ -0.0003524600000000, 0.0002035800000000, -0.0028903500000000 ] - [ 0.0000678500000000, 0.0000056100000000, 0.0000005700000000 ] - [ -0.0002077100000000, 0.0000610000000000, 0.0000302000000000 ] - [ -0.0000682500000000, -0.0001927800000000, -0.0021089100000000 ] - [ -0.0002611200000000, -0.0000338800000000, -0.0007985100000000 ] - [ 0.0000298800000000, 0.0001627800000000, -0.0000535400000000 ] - [ 0.0004581000000000, -0.0000004800000000, -0.0001349600000000 ] - [ -0.0000567500000000, 0.0000178800000000, -0.0005861200000000 ] - [ 0.0000071400000000, 0.0000006300000000, 0.0000568100000000 ] - [ -0.0000838600000000, 0.0001984500000000, 0.0001762600000000 ] - [ 0.0000302000000000, -0.0001626500000000, -0.0000544300000000 ] - [ 0.0000754200000000, 0.0000001900000000, 0.0003257500000000 ] - [ -0.0000769800000000, -0.0001978900000000, 0.0001744700000000 ] - [ 0.0001585700000000, -0.0000002400000000, 0.0001003000000000 ] - [ 0.0001987700000000, 0.0000000200000000, -0.0002293000000000 ] - [ -0.0000638500000000, 0.0001540200000000, 0.0003377000000000 ] - [ -0.0001235000000000, -0.0001814800000000, 0.0002249100000000 ] - [ 0.0003591300000000, 0.0000002900000000, -0.0000377000000000 ] - [ 0.0009871300000000, 0.0001620200000000, 0.0001404000000000 ] - [ -0.0003847200000000, 0.0000061100000000, -0.0001468000000000 ] - [ -0.0003135200000000, -0.0000220700000000, -0.0009811500000000 ] - [ -0.0021888000000000, -0.0005197800000000, -0.0039502700000000 ] - [ -0.0012206400000000, 0.0000412100000000, -0.0006490300000000 ] - [ -0.0003195900000000, 0.0000264300000000, -0.0007350400000000 ] - [ 0.0000182700000000, 0.0003521500000000, -0.0016619300000000 ] - [ -0.0170710500000000, -0.0189334900000000, -0.0061986000000000 ] - [ -0.0023960400000000, 0.0003399000000000, -0.0033665300000000 ] - [ 0.0044169000000000, -0.0010320600000000, -0.0028864800000000 ] - [ 0.0001233100000000, -0.0002430600000000, -0.0013383100000000 ] - [ -0.0010030900000000, 0.0015200900000000, 0.0143501900000000 ] - [ -0.0225407900000000, 0.0152718200000000, 0.0002651800000000 ] - [ 0.0021994500000000, 0.0029638300000000, -0.0068843300000000 ] - [ 0.0031447300000000, 0.0007297800000000, 0.0021907900000000 ] - [ -0.0079240100000000, 0.0016733700000000, -0.0004657700000000 ] - [ -0.0012111700000000, 0.0000089600000000, -0.0003196200000000 ] - [ -0.0026971800000000, -0.0000772400000000, 0.0006795000000000 ] - [ 0.0105011600000000, 0.0052828600000000, 0.0019914100000000 ] - [ -0.0002414000000000, -0.0000466200000000, 0.0001037400000000 ] - [ 0.0020588100000000, -0.0004078300000000, -0.0004967800000000 ] - [ 0.0009396400000000, 0.0051398100000000, -0.0095046700000000 ] - [ -0.0009630700000000, 0.0000113800000000, 0.0007111800000000 ] - [ 0.0001635000000000, 0.0000016400000000, -0.0001432100000000 ] - [ 0.0002026600000000, 0.0000224300000000, -0.0001797300000000 ] - [ -0.0003633800000000, 0.0001372500000000, 0.0000530700000000 ] - [ -0.0001461800000000, 0.0000254700000000, -0.0001485100000000 ] - [ 0.0000110900000000, 0.0001621000000000, 0.0000027500000000 ] - [ 0.0003880800000000, -0.0000024400000000, -0.0000244500000000 ] - [ 0.0001715500000000, -0.0000118000000000, -0.0001883200000000 ] - [ -0.0000944900000000, 0.0000017800000000, 0.0001264400000000 ] - [ 0.0000527100000000, 0.0001961700000000, 0.0002735000000000 ] - [ 0.0000110000000000, -0.0001620300000000, 0.0000021400000000 ] - [ 0.0000594700000000, 0.0000001800000000, 0.0003249500000000 ] - [ 0.0000502100000000, -0.0001957700000000, 0.0002723000000000 ] - [ 0.0000559200000000, -0.0000007500000000, 0.0001753100000000 ] - [ 0.0002044900000000, -0.0000000600000000, -0.0002141100000000 ] - [ -0.0001258700000000, 0.0001816200000000, 0.0002256400000000 ] - [ -0.0000647100000000, -0.0001541500000000, 0.0003362600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002101200000000, -0.0000099300000000, 0.0000567400000000 ] - [ 0.0000794700000000, 0.0000403100000000, -0.0006197400000000 ] - [ 0.0001394500000000, 0.0000073500000000, -0.0001097800000000 ] - [ 0.0006779900000000, -0.0000373300000000, 0.0003108200000000 ] - [ 0.0000181000000000, 0.0001937400000000, -0.0003572000000000 ] - [ 0.0017613400000000, 0.0029010000000000, -0.0003368000000000 ] - [ -0.0001059600000000, 0.0004154200000000, -0.0002600600000000 ] - [ 0.0010688300000000, -0.0028887900000000, -0.0005292100000000 ] - [ 0.0002422900000000, -0.0000690200000000, -0.0003595200000000 ] - [ -0.0220105100000000, 0.0522998900000000, 0.0340865900000000 ] - [ -0.0004342900000000, -0.0043771600000000, -0.0001830900000000 ] - [ 0.0001052900000000, -0.0000091500000000, -0.0003731900000000 ] - [ 0.0052111400000000, 0.0005585600000000, -0.0011879500000000 ] - [ 0.0002595600000000, -0.0000986300000000, -0.0006503400000000 ] - [ -0.0014935900000000, 0.0043784400000000, -0.0008547400000000 ] - [ 0.0012820900000000, -0.0010403600000000, -0.0012164900000000 ] - [ 0.0000110000000000, 0.0000187800000000, -0.0001466400000000 ] - [ -0.0001295200000000, 0.0000003900000000, 0.0001096100000000 ] - [ -0.0000993500000000, 0.0001151900000000, 0.0002818300000000 ] - [ 0.0002012100000000, -0.0000004000000000, 0.0003336400000000 ] - [ 0.0000071100000000, -0.0000179900000000, -0.0001467600000000 ] - [ -0.0001171900000000, -0.0001154900000000, 0.0002841900000000 ] - [ 0.0001819200000000, 0.0000002900000000, 0.0001706300000000 ] - [ 0.0000259800000000, -0.0000003300000000, -0.0003049200000000 ] - [ 0.0001163400000000, -0.0000012800000000, 0.0001066000000000 ] - [ -0.0003858600000000, -0.0000088200000000, -0.0007204300000000 ] - [ 0.0000566300000000, -0.0001950500000000, -0.0003033000000000 ] - [ 0.0015046600000000, -0.0009329100000000, -0.0042534900000000 ] - [ 0.0001419400000000, 0.0000057600000000, -0.0001099000000000 ] - [ -0.0011884500000000, -0.0107538000000000, 0.0000455400000000 ] - [ -0.0021251900000000, 0.0001544800000000, -0.0012179100000000 ] - [ 0.0008881800000000, 0.0206978400000000, 0.0057931900000000 ] - [ -0.0004173500000000, 0.0002807400000000, 0.0021753400000000 ] - [ 0.0024040400000000, 0.0000795000000000, 0.0020836300000000 ] - [ 0.0008477200000000, 0.0003041500000000, -0.0001864800000000 ] - [ 0.0000445300000000, -0.0000021500000000, -0.0004047700000000 ] - [ -0.0576743500000000, 0.0978345200000000, -0.0246490300000000 ] - [ -0.0000837600000000, -0.0000079700000000, -0.0003354200000000 ] - [ 0.0006882500000000, -0.0002988700000000, -0.0002442300000000 ] - [ 0.0021631600000000, 0.0000864100000000, 0.0015574900000000 ] - [ 0.0000928800000000, 0.0000038900000000, -0.0002131400000000 ] - [ -0.0001159900000000, 0.0000004500000000, 0.0000916600000000 ] - [ -0.0001170800000000, 0.0001142700000000, 0.0002844400000000 ] - [ 0.0002147500000000, -0.0000002800000000, 0.0003135000000000 ] - [ 0.0000833000000000, -0.0000023100000000, -0.0002261800000000 ] - [ -0.0000995500000000, -0.0001159700000000, 0.0002810900000000 ] - [ 0.0002091400000000, 0.0000010500000000, 0.0001835800000000 ] - [ 0.0000412400000000, -0.0000001900000000, -0.0003621800000000 ] - [ -0.0026079600000000, -0.0001520900000000, -0.0001522500000000 ] - [ -0.0000539900000000, -0.0000046200000000, -0.0003604300000000 ] - [ 0.0001277500000000, -0.0000030900000000, 0.0003632500000000 ] - [ -0.0002263800000000, 0.0000084700000000, -0.0005947200000000 ] - [ -0.0030398200000000, 0.0002182100000000, 0.0036883400000000 ] - [ 0.0000871100000000, 0.0000073700000000, -0.0000326100000000 ] - [ 0.0001357400000000, -0.0000032800000000, 0.0003546300000000 ] - [ 0.0000423400000000, 0.0001406200000000, -0.0006616600000000 ] - [ -0.0000676100000000, 0.0000646900000000, 0.0002315700000000 ] - [ -0.0001530900000000, 0.0000073300000000, -0.0002026000000000 ] - [ 0.0000637300000000, -0.0001040300000000, 0.0002511400000000 ] - [ -0.0004274600000000, 0.0000090900000000, -0.0002982400000000 ] - [ -0.0010865300000000, -0.0020065700000000, 0.0010281100000000 ] - [ 0.0003907200000000, -0.0000805700000000, -0.0001172000000000 ] - [ -0.0001707100000000, -0.0000086600000000, 0.0000958900000000 ] - [ -0.0002628200000000, -0.0000988200000000, 0.0002519800000000 ] - [ 0.0026132100000000, 0.0008977100000000, -0.0016645200000000 ] - [ -0.0003837800000000, 0.0011705600000000, 0.0001214300000000 ] - [ -0.0003689100000000, -0.0000897200000000, -0.0007357300000000 ] - [ -0.0001634300000000, 0.0000707100000000, 0.0000796100000000 ] - [ -0.0004905400000000, 0.0007590300000000, -0.0006978200000000 ] - [ -0.0079140800000000, 0.0023503500000000, -0.0003755800000000 ] - [ -0.0002844900000000, 0.0000609400000000, 0.0008076500000000 ] - [ -0.0004771400000000, -0.0007126400000000, -0.0006864100000000 ] - [ 0.0861594900000000, -0.2337478000000000, -0.0159732800000000 ] - [ -0.0004883000000000, 0.0002164700000000, 0.0010416200000000 ] - [ 0.0024958300000000, 0.0040417200000000, 0.0080262900000000 ] - [ -0.0013896900000000, -0.0015105300000000, -0.0002695800000000 ] - [ 0.0000486700000000, -0.0000196700000000, 0.0002986000000000 ] - [ -0.0001633800000000, 0.0000327200000000, -0.0002298800000000 ] - [ -0.0008384000000000, 0.0000597600000000, 0.0004003500000000 ] - [ 0.0000746900000000, 0.0010756300000000, -0.0009058900000000 ] - [ 0.0000867200000000, 0.0000024000000000, 0.0003049500000000 ] - [ -0.0000789800000000, 0.0000559200000000, 0.0002654400000000 ] - [ 0.0000620000000000, -0.0007786400000000, -0.0008498200000000 ] - [ -0.0001599400000000, 0.0000014600000000, -0.0000978500000000 ] - [ 0.0000236700000000, 0.0001630300000000, 0.0003336800000000 ] - [ 0.0004163900000000, -0.0000006900000000, 0.0002720300000000 ] - [ 0.0000549400000000, 0.0000036800000000, -0.0000707800000000 ] - [ -0.0000355600000000, 0.0000000800000000, 0.0005422000000000 ] - [ -0.0000122600000000, 0.0001843600000000, 0.0005771800000000 ] - [ 0.0000238700000000, -0.0001634500000000, 0.0003331200000000 ] - [ 0.0000677900000000, -0.0000000600000000, 0.0006885800000000 ] - [ -0.0000097500000000, -0.0001840700000000, 0.0005745100000000 ] - [ 0.0000390600000000, -0.0000003600000000, 0.0004501700000000 ] - [ 0.0002020400000000, -0.0000002800000000, 0.0001937700000000 ] - [ -0.0000520900000000, 0.0000988800000000, 0.0006106100000000 ] - [ -0.0000586800000000, -0.0001041300000000, 0.0005920000000000 ] - [ 0.0000691200000000, 0.0001027700000000, 0.0002557500000000 ] - [ -0.0002078700000000, 0.0000338100000000, 0.0004271700000000 ] - [ -0.0000530800000000, -0.0000603900000000, 0.0002140800000000 ] - [ -0.0003443000000000, 0.0000042200000000, -0.0003906900000000 ] - [ -0.0000913400000000, 0.0017512500000000, -0.0004154800000000 ] - [ -0.0003832700000000, 0.0000003500000000, 0.0000463400000000 ] - [ -0.0002522600000000, 0.0000105200000000, -0.0000330800000000 ] - [ -0.0000365400000000, 0.0008480600000000, -0.0001928500000000 ] - [ 0.0142787700000000, 0.0067864700000000, 0.0018352400000000 ] - [ -0.0001596300000000, -0.0014357600000000, -0.0006468100000000 ] - [ 0.0034735600000000, 0.0024196100000000, 0.0060950800000000 ] - [ -0.0000055900000000, -0.0006280700000000, -0.0001505200000000 ] - [ -0.0017174700000000, -0.0038807600000000, 0.0042573700000000 ] - [ -0.0199145200000000, 0.0096090800000000, -0.0008564900000000 ] - [ -0.0014824200000000, 0.0038828400000000, -0.0100261600000000 ] - [ -0.0000326400000000, 0.0018893000000000, 0.0002613500000000 ] - [ -0.0018722200000000, 0.0020047300000000, -0.0002634900000000 ] - [ -0.0002113500000000, -0.0000095600000000, -0.0001644500000000 ] - [ -0.0004451700000000, -0.0000802100000000, -0.0009089300000000 ] - [ 0.0050688200000000, 0.0430438300000000, -0.0022694800000000 ] - [ -0.0000974800000000, -0.0000496400000000, 0.0003010200000000 ] - [ 0.0009211100000000, -0.0001783000000000, -0.0004652300000000 ] - [ -0.0022276300000000, 0.0023746800000000, -0.0079526800000000 ] - [ -0.0006338200000000, -0.0000534000000000, -0.0000080800000000 ] - [ 0.0001262600000000, 0.0000007700000000, 0.0002935600000000 ] - [ 0.0000423600000000, 0.0000169400000000, 0.0002852600000000 ] - [ -0.0003255400000000, 0.0001508900000000, -0.0003464200000000 ] - [ -0.0002439300000000, 0.0000137700000000, 0.0000343700000000 ] - [ 0.0000168000000000, 0.0001630900000000, 0.0003417600000000 ] - [ 0.0003878600000000, -0.0000013000000000, 0.0002839000000000 ] - [ 0.0000743900000000, -0.0000061500000000, 0.0000222100000000 ] - [ -0.0000563400000000, 0.0000006000000000, 0.0005516300000000 ] - [ 0.0000051400000000, 0.0001829200000000, 0.0006046500000000 ] - [ 0.0000168900000000, -0.0001635400000000, 0.0003413000000000 ] - [ 0.0000645100000000, -0.0000000300000000, 0.0006916500000000 ] - [ 0.0000047400000000, -0.0001829800000000, 0.0006029000000000 ] - [ 0.0000221400000000, -0.0000005200000000, 0.0004596800000000 ] - [ 0.0002019700000000, -0.0000003100000000, 0.0001932100000000 ] - [ -0.0000594700000000, 0.0001040400000000, 0.0005924300000000 ] - [ -0.0000522000000000, -0.0000993200000000, 0.0006098500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000784900000000, 0.0000094600000000, 0.0005340000000000 ] - [ -0.0002050200000000, -0.0000393100000000, -0.0001583300000000 ] - [ 0.0000202100000000, 0.0000713200000000, 0.0000352200000000 ] - [ -0.0009145200000000, 0.0000363500000000, -0.0010195700000000 ] - [ 0.0001419000000000, -0.0002728300000000, 0.0002829300000000 ] - [ -0.0017951500000000, -0.0029037700000000, 0.0003716900000000 ] - [ -0.0000908300000000, -0.0004022800000000, 0.0004283600000000 ] - [ -0.0011252300000000, 0.0028892700000000, 0.0005558700000000 ] - [ -0.0004412500000000, 0.0000662400000000, 0.0004846900000000 ] - [ 0.0205131900000000, -0.0492471100000000, -0.0315165900000000 ] - [ 0.0006338700000000, 0.0042344900000000, -0.0005821200000000 ] - [ -0.0000130700000000, 0.0000092500000000, -0.0000462400000000 ] - [ -0.0046203900000000, -0.0005602400000000, 0.0009620900000000 ] - [ -0.0002056300000000, 0.0001016500000000, -0.0000089100000000 ] - [ 0.0017333300000000, -0.0042372500000000, 0.0001219000000000 ] - [ -0.0005802600000000, 0.0010770800000000, 0.0008914600000000 ] - [ 0.0001062800000000, 0.0000654300000000, 0.0001511800000000 ] - [ -0.0001131200000000, -0.0000006600000000, 0.0004770100000000 ] - [ -0.0001178200000000, 0.0001189500000000, 0.0006657100000000 ] - [ 0.0002127300000000, 0.0000002800000000, 0.0007574000000000 ] - [ 0.0001103800000000, -0.0000667600000000, 0.0001513200000000 ] - [ -0.0001000000000000, -0.0001190900000000, 0.0006632000000000 ] - [ 0.0002125600000000, -0.0000007400000000, 0.0005878200000000 ] - [ 0.0000383600000000, 0.0000000300000000, 0.0000505100000000 ] - [ 0.0001730200000000, 0.0000008000000000, 0.0004834100000000 ] - [ 0.0002626300000000, 0.0000093600000000, -0.0000594800000000 ] - [ 0.0001048300000000, 0.0002735600000000, 0.0002307700000000 ] - [ -0.0017223500000000, 0.0009098500000000, 0.0035760900000000 ] - [ 0.0000166300000000, -0.0000850100000000, 0.0000347600000000 ] - [ 0.0012536400000000, 0.0107234400000000, 0.0000303200000000 ] - [ 0.0019239300000000, -0.0001523300000000, 0.0013714600000000 ] - [ -0.0008655500000000, -0.0205992900000000, -0.0057247500000000 ] - [ 0.0002218700000000, -0.0002832400000000, -0.0020707100000000 ] - [ -0.0024301000000000, -0.0000766900000000, -0.0021355300000000 ] - [ -0.0006624300000000, -0.0004517700000000, -0.0005561500000000 ] - [ 0.0000493700000000, 0.0000019100000000, -0.0000148300000000 ] - [ 0.0622151700000000, -0.1025944000000000, 0.0262785700000000 ] - [ 0.0001435300000000, 0.0000093300000000, -0.0003293500000000 ] - [ -0.0004973000000000, 0.0004459000000000, -0.0004963000000000 ] - [ -0.0014645300000000, -0.0000839700000000, -0.0018981000000000 ] - [ 0.0000237000000000, 0.0000805800000000, 0.0002190600000000 ] - [ -0.0001268400000000, -0.0000007000000000, 0.0004951300000000 ] - [ -0.0001000200000000, 0.0001199600000000, 0.0006630500000000 ] - [ 0.0001992600000000, 0.0000000400000000, 0.0007778700000000 ] - [ 0.0000337100000000, -0.0000826900000000, 0.0002324300000000 ] - [ -0.0001176800000000, -0.0001187200000000, 0.0006664600000000 ] - [ 0.0001846900000000, -0.0000013400000000, 0.0005749700000000 ] - [ 0.0000230600000000, -0.0000001400000000, 0.0001086300000000 ] - [ 0.0024222600000000, 0.0001488600000000, -0.0002765600000000 ] - [ 0.0001129900000000, -0.0000026300000000, 0.0003935100000000 ] - [ 0.0001360900000000, -0.0000036200000000, 0.0006597700000000 ] - [ 0.0002029000000000, -0.0000026100000000, 0.0000686000000000 ] - [ 0.0028819500000000, -0.0002712600000000, -0.0040928000000000 ] - [ -0.0000308800000000, -0.0000148500000000, 0.0000642100000000 ] - [ 0.0001279400000000, -0.0000034200000000, 0.0006688400000000 ] - [ -0.0000631700000000, -0.0001381400000000, 0.0001420100000000 ] - [ 0.0000525100000000, 0.0000092400000000, -0.0000127300000000 ] - [ -0.0000487700000000, -0.0000075200000000, -0.0003158700000000 ] - [ -0.0000795900000000, 0.0000296300000000, -0.0000328500000000 ] - [ -0.0002579800000000, -0.0000091800000000, -0.0007227600000000 ] - [ 0.0008030100000000, 0.0017845500000000, -0.0016846900000000 ] - [ -0.0007817700000000, 0.0000787200000000, 0.0001385000000000 ] - [ -0.0002689700000000, 0.0000081100000000, -0.0002232300000000 ] - [ 0.0000918200000000, 0.0001136400000000, -0.0005783600000000 ] - [ -0.0034993400000000, -0.0009154500000000, 0.0009080400000000 ] - [ 0.0001255500000000, -0.0009500900000000, -0.0008064900000000 ] - [ 0.0002094500000000, 0.0000878100000000, 0.0002719000000000 ] - [ -0.0000044300000000, -0.0000873200000000, -0.0004115600000000 ] - [ 0.0004498700000000, -0.0006765400000000, 0.0005852400000000 ] - [ 0.0083799400000000, -0.0023396300000000, 0.0002035800000000 ] - [ 0.0008666700000000, -0.0000586000000000, -0.0006014000000000 ] - [ 0.0004370000000000, 0.0006292100000000, 0.0005746400000000 ] - [ -0.0886571100000000, 0.2351587500000000, 0.0114673600000000 ] - [ 0.0003731500000000, -0.0002279000000000, -0.0009184500000000 ] - [ -0.0028484300000000, -0.0040627600000000, -0.0086471500000000 ] - [ 0.0012935400000000, 0.0018088100000000, 0.0003114200000000 ] - [ -0.0000915900000000, -0.0000689500000000, 0.0000040700000000 ] - [ 0.0004322100000000, -0.0000339800000000, -0.0002530200000000 ] - [ 0.0011854000000000, -0.0000649100000000, -0.0008357800000000 ] - [ -0.0002530500000000, -0.0011392100000000, -0.0001032200000000 ] - [ 0.0001318200000000, -0.0000027300000000, 0.0000076300000000 ] - [ 0.0000366000000000, 0.0000322200000000, 0.0000370400000000 ] - [ -0.0002394700000000, 0.0008408600000000, -0.0001558800000000 ] - [ -0.0002262300000000, -0.0000021300000000, -0.0002968700000000 ] - [ 0.0000168800000000, 0.0001619900000000, 0.0000704200000000 ] - [ 0.0003972900000000, 0.0000004600000000, 0.0000206700000000 ] - [ 0.0000735000000000, -0.0000037800000000, -0.0001970200000000 ] - [ -0.0000530200000000, -0.0000002400000000, 0.0002041500000000 ] - [ 0.0000012400000000, 0.0001877900000000, 0.0003348900000000 ] - [ 0.0000165000000000, -0.0001627300000000, 0.0000711200000000 ] - [ 0.0000657300000000, -0.0000002600000000, 0.0004193300000000 ] - [ -0.0000015100000000, -0.0001887000000000, 0.0003376500000000 ] - [ 0.0000746600000000, 0.0000001000000000, 0.0002278700000000 ] - [ 0.0002013300000000, -0.0000004300000000, -0.0001130100000000 ] - [ -0.0000866900000000, 0.0001490300000000, 0.0003551600000000 ] - [ -0.0000799300000000, -0.0001442300000000, 0.0003738300000000 ] - [ -0.0000848500000000, -0.0000288800000000, -0.0000370900000000 ] - [ 0.0000022000000000, -0.0000328400000000, -0.0009467800000000 ] - [ 0.0000384100000000, -0.0000140800000000, 0.0000039800000000 ] - [ -0.0003409400000000, -0.0000043600000000, -0.0006296600000000 ] - [ -0.0001600800000000, -0.0019710700000000, -0.0002453900000000 ] - [ -0.0000042800000000, -0.0000006400000000, -0.0000236900000000 ] - [ -0.0001869600000000, -0.0000108700000000, -0.0000930300000000 ] - [ -0.0001320100000000, -0.0008325100000000, -0.0001326600000000 ] - [ -0.0152578700000000, -0.0066745800000000, -0.0025885200000000 ] - [ -0.0000926400000000, 0.0016571800000000, -0.0000161400000000 ] - [ -0.0036728400000000, -0.0023881800000000, -0.0065794100000000 ] - [ -0.0001641500000000, 0.0006120600000000, -0.0001781000000000 ] - [ 0.0017264400000000, 0.0039218400000000, -0.0045013200000000 ] - [ 0.0200976100000000, -0.0095966800000000, 0.0006795400000000 ] - [ 0.0020507700000000, -0.0039204100000000, 0.0101935700000000 ] - [ -0.0000380200000000, -0.0019784800000000, -0.0003525200000000 ] - [ 0.0017717200000000, -0.0023010400000000, 0.0003038300000000 ] - [ 0.0001117000000000, 0.0000096300000000, 0.0002930800000000 ] - [ 0.0000895100000000, 0.0000824100000000, 0.0002206200000000 ] - [ -0.0052157500000000, -0.0427843600000000, 0.0023041100000000 ] - [ 0.0000561400000000, -0.0000394100000000, 0.0000000000000000 ] - [ -0.0006630700000000, 0.0001826700000000, -0.0000170400000000 ] - [ 0.0025862400000000, -0.0023632300000000, 0.0075783700000000 ] - [ 0.0004648100000000, -0.0000102500000000, -0.0010170200000000 ] - [ 0.0000919500000000, -0.0000011200000000, 0.0000198600000000 ] - [ -0.0000859800000000, 0.0000714600000000, 0.0000172600000000 ] - [ 0.0001468400000000, -0.0000903700000000, -0.0006671800000000 ] - [ -0.0001418100000000, -0.0000146000000000, -0.0004319700000000 ] - [ 0.0000236800000000, 0.0001618900000000, 0.0000620300000000 ] - [ 0.0004260500000000, 0.0000011400000000, 0.0000085600000000 ] - [ 0.0000533400000000, 0.0000061000000000, -0.0002917200000000 ] - [ -0.0000321200000000, -0.0000008400000000, 0.0001944400000000 ] - [ -0.0000167500000000, 0.0001893700000000, 0.0003071300000000 ] - [ 0.0000236500000000, -0.0001622500000000, 0.0000624500000000 ] - [ 0.0000689400000000, -0.0000001900000000, 0.0004161900000000 ] - [ -0.0000165300000000, -0.0001896600000000, 0.0003089500000000 ] - [ 0.0000916900000000, 0.0000002900000000, 0.0002183200000000 ] - [ 0.0002015000000000, 0.0000000300000000, -0.0001124700000000 ] - [ -0.0000791600000000, 0.0001437400000000, 0.0003734500000000 ] - [ -0.0000865300000000, -0.0001490700000000, 0.0003558400000000 ]- atom: 73 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001285200000000, -0.0000268600000000, -0.0019208300000000 ] - [ -0.0002255100000000, 0.0001312300000000, -0.0017985200000000 ] - [ -0.0008601800000000, 0.0000726800000000, -0.0020183700000000 ] - [ -0.0029164900000000, 0.0000030000000000, -0.0001993300000000 ] - [ 0.0007592500000000, -0.0000487400000000, -0.0021683400000000 ] - [ 0.0014914200000000, 0.0000149400000000, 0.0066424600000000 ] - [ 0.0020765200000000, 0.0014084800000000, -0.0004088500000000 ] - [ 0.0000161800000000, 0.0001191600000000, 0.0057665000000000 ] - [ -0.0000986000000000, -0.0002616100000000, 0.0001371800000000 ] - [ -0.0042898900000000, 0.0276320200000000, 0.0463695100000000 ] - [ 0.0046747400000000, -0.0006655800000000, -0.0037276900000000 ] - [ -0.0000404300000000, -0.0000322600000000, -0.0020992000000000 ] - [ -0.0024635100000000, -0.0007252100000000, 0.0060160600000000 ] - [ 0.0004169400000000, -0.0003654500000000, -0.0021634400000000 ] - [ 0.0000986300000000, 0.0006158300000000, -0.0095698000000000 ] - [ 0.0048597500000000, -0.0038940400000000, -0.0011765000000000 ] - [ -0.0001815000000000, -0.0001771200000000, -0.0022667800000000 ] - [ -0.0001315700000000, 0.0000017600000000, -0.0019040300000000 ] - [ -0.0001486100000000, 0.0001269500000000, -0.0016354000000000 ] - [ 0.0001632100000000, -0.0000037500000000, -0.0019976700000000 ] - [ -0.0002157200000000, 0.0001763800000000, -0.0023163500000000 ] - [ -0.0000793400000000, -0.0001237400000000, -0.0017063100000000 ] - [ 0.0002684600000000, 0.0000049600000000, -0.0019276000000000 ] - [ -0.0000137800000000, -0.0000069100000000, -0.0027530500000000 ] - [ 0.0002301100000000, -0.0000330300000000, -0.0023911600000000 ] - [ 0.0004330800000000, 0.0001822800000000, -0.0033412000000000 ] - [ 0.0009232800000000, 0.0000439100000000, -0.0019747500000000 ] - [ 0.0058515400000000, -0.0026825800000000, -0.0043897000000000 ] - [ -0.0010812800000000, -0.0000893000000000, -0.0021404000000000 ] - [ -0.0010128900000000, -0.0009675400000000, 0.0079122600000000 ] - [ -0.0047415000000000, 0.0004377500000000, -0.0024922300000000 ] - [ 0.0035734000000000, 0.0026006400000000, 0.0213892100000000 ] - [ 0.0003873100000000, -0.0007411700000000, -0.0058561300000000 ] - [ -0.0019349200000000, 0.0001979600000000, 0.0060986600000000 ] - [ 0.0000134300000000, -0.0001255100000000, 0.0009295300000000 ] - [ 0.0005187500000000, -0.0000289100000000, -0.0025198400000000 ] - [ 0.0266068300000000, -0.0319088600000000, 0.0359013700000000 ] - [ 0.0000104400000000, -0.0003162500000000, -0.0040487100000000 ] - [ -0.0005085000000000, 0.0001199100000000, 0.0007944400000000 ] - [ -0.0057461200000000, -0.0004855500000000, -0.0013621500000000 ] - [ 0.0001603700000000, -0.0000999500000000, -0.0019226300000000 ] - [ -0.0000900200000000, 0.0000017300000000, -0.0018082500000000 ] - [ -0.0000778300000000, 0.0001238000000000, -0.0017039800000000 ] - [ 0.0002596900000000, -0.0000034800000000, -0.0019352200000000 ] - [ 0.0001244700000000, 0.0000992900000000, -0.0019712400000000 ] - [ -0.0001509800000000, -0.0001269600000000, -0.0016363100000000 ] - [ 0.0001157900000000, 0.0000064400000000, -0.0018367100000000 ] - [ 0.0000944400000000, -0.0000039100000000, -0.0024963300000000 ] - [ -0.0062370300000000, -0.0018930600000000, 0.0034629600000000 ] - [ 0.0003891100000000, 0.0000177600000000, -0.0020988500000000 ] - [ 0.0001267300000000, -0.0000032500000000, -0.0012475200000000 ] - [ -0.0014521200000000, 0.0001940200000000, -0.0019859700000000 ] - [ 0.0051987300000000, 0.0032328400000000, 0.0071372400000000 ] - [ -0.0003512100000000, 0.0000133200000000, -0.0011309000000000 ] - [ 0.0001358800000000, -0.0000032100000000, -0.0011475300000000 ] - [ 0.0010918900000000, 0.0004654200000000, -0.0019047500000000 ] - [ 0.0002301100000000, 0.0002654300000000, 0.0012883900000000 ] - [ 0.0005963700000000, -0.0000037600000000, 0.0007551300000000 ] - [ -0.0000187900000000, -0.0003360100000000, 0.0015607500000000 ] - [ -0.0008827200000000, 0.0000290600000000, 0.0007326500000000 ] - [ -0.0055392300000000, -0.0013089000000000, 0.0014182400000000 ] - [ -0.0014504600000000, -0.0001182000000000, 0.0017221400000000 ] - [ -0.0004641600000000, -0.0000279800000000, 0.0015459800000000 ] - [ -0.0007850600000000, -0.0000297700000000, 0.0008039300000000 ] - [ 0.0009161100000000, 0.0005668900000000, -0.0059798400000000 ] - [ -0.0024830300000000, 0.0006466400000000, -0.0019469000000000 ] - [ 0.0003150100000000, -0.0002579000000000, -0.0023571500000000 ] - [ -0.0004511800000000, -0.0000868500000000, 0.0002226800000000 ] - [ 0.0024316100000000, -0.0000120500000000, -0.0021277400000000 ] - [ 0.0017043600000000, -0.0012287900000000, -0.0067813500000000 ] - [ 0.0003511100000000, 0.0003078600000000, -0.0024345400000000 ] - [ 0.0025050100000000, -0.0000291000000000, -0.0018032400000000 ] - [ -0.0444373600000000, -0.0017404300000000, -0.1264158800000000 ] - [ -0.0011535200000000, 0.0009098900000000, 0.0026115500000000 ] - [ 0.0024284000000000, 0.0102741600000000, 0.0108966300000000 ] - [ 0.0009788500000000, 0.0006279500000000, -0.0029713100000000 ] - [ -0.0000729000000000, -0.0000273800000000, 0.0021075500000000 ] - [ 0.0004204200000000, 0.0001060500000000, -0.0001948600000000 ] - [ -0.0008028400000000, 0.0005739900000000, -0.0032883900000000 ] - [ 0.0016144200000000, 0.0000110600000000, 0.0031797400000000 ] - [ 0.0000708200000000, 0.0000087800000000, 0.0015744700000000 ] - [ -0.0000078700000000, 0.0000487300000000, 0.0012859200000000 ] - [ 0.0011141500000000, 0.0001100100000000, 0.0018140000000000 ] - [ 0.0001099100000000, 0.0000639500000000, 0.0016052200000000 ] - [ 0.0000363800000000, 0.0001673700000000, 0.0017622000000000 ] - [ 0.0003665500000000, -0.0000034600000000, 0.0017422800000000 ] - [ 0.0003479100000000, -0.0000256600000000, 0.0014751100000000 ] - [ -0.0000494500000000, 0.0000024200000000, 0.0023287600000000 ] - [ 0.0001241200000000, 0.0001206500000000, 0.0019927100000000 ] - [ 0.0000375000000000, -0.0001670900000000, 0.0017592700000000 ] - [ 0.0000609700000000, 0.0000010000000000, 0.0020743500000000 ] - [ 0.0001296100000000, -0.0001193200000000, 0.0019757400000000 ] - [ -0.0002884200000000, -0.0000009100000000, 0.0017224700000000 ] - [ 0.0002060000000000, -0.0000010600000000, 0.0017925000000000 ] - [ 0.0000463400000000, -0.0001558000000000, 0.0017961700000000 ] - [ 0.0001431300000000, 0.0001693200000000, 0.0018518500000000 ] - [ -0.0000497700000000, 0.0003479200000000, 0.0016193700000000 ] - [ -0.0010124200000000, 0.0000847900000000, 0.0016742100000000 ] - [ 0.0002841000000000, -0.0002528900000000, 0.0012402100000000 ] - [ -0.0003619900000000, 0.0000620800000000, 0.0010005800000000 ] - [ 0.0029729800000000, 0.0002702700000000, -0.0005935400000000 ] - [ 0.0007037500000000, -0.0000050800000000, 0.0008165700000000 ] - [ 0.0000854200000000, -0.0000612100000000, 0.0020566500000000 ] - [ 0.0011000800000000, -0.0002480500000000, 0.0030039300000000 ] - [ 0.0088616300000000, 0.0075830400000000, -0.0081702000000000 ] - [ 0.0029359600000000, -0.0003405300000000, -0.0000412600000000 ] - [ 0.0045985500000000, 0.0065322200000000, 0.0080203500000000 ] - [ 0.0006663300000000, 0.0001181100000000, 0.0020951000000000 ] - [ -0.0142584200000000, 0.0034857500000000, 0.0140142200000000 ] - [ 0.0064605900000000, -0.0033223800000000, -0.0086385100000000 ] - [ 0.0049313800000000, -0.0091550200000000, 0.0117135600000000 ] - [ -0.0029897000000000, 0.0011817400000000, -0.0029479500000000 ] - [ 0.0015576000000000, -0.0006892400000000, -0.0028880000000000 ] - [ 0.0006642600000000, -0.0000449300000000, -0.0001352400000000 ] - [ -0.0002370300000000, -0.0003458600000000, -0.0029063400000000 ] - [ -0.0035018300000000, 0.0016654900000000, -0.0116413000000000 ] - [ -0.0000808500000000, -0.0000238800000000, 0.0014131600000000 ] - [ -0.0005046000000000, -0.0003699400000000, 0.0022235400000000 ] - [ 0.0057666200000000, -0.0083363400000000, 0.0094644200000000 ] - [ -0.0020142500000000, 0.0000926800000000, 0.0008656600000000 ] - [ 0.0001398000000000, 0.0000080700000000, 0.0018266600000000 ] - [ -0.0000394200000000, 0.0000501100000000, 0.0019957000000000 ] - [ -0.0008931500000000, 0.0001691200000000, -0.0003739600000000 ] - [ -0.0004729400000000, 0.0000490100000000, 0.0012032100000000 ] - [ 0.0000056100000000, 0.0001657700000000, 0.0016911100000000 ] - [ 0.0002845800000000, -0.0000038200000000, 0.0015812300000000 ] - [ -0.0001940800000000, -0.0000195100000000, 0.0013192100000000 ] - [ -0.0000416200000000, 0.0000020900000000, 0.0021793400000000 ] - [ -0.0000616200000000, 0.0001176600000000, 0.0019791200000000 ] - [ 0.0000064200000000, -0.0001655100000000, 0.0016886900000000 ] - [ 0.0000619200000000, 0.0000010500000000, 0.0020809600000000 ] - [ -0.0000572400000000, -0.0001165000000000, 0.0019662500000000 ] - [ -0.0002541400000000, -0.0000009600000000, 0.0016251600000000 ] - [ 0.0001992400000000, -0.0000009600000000, 0.0017732300000000 ] - [ 0.0001433500000000, -0.0001707600000000, 0.0018600000000000 ] - [ 0.0000474200000000, 0.0001549600000000, 0.0017909000000000 ]- atom: 73 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001601500000000, 0.0000270800000000, 0.0025092100000000 ] - [ 0.0001011100000000, -0.0001316200000000, 0.0010150800000000 ] - [ 0.0010264400000000, 0.0000060400000000, 0.0019420800000000 ] - [ 0.0026954000000000, -0.0000057000000000, -0.0005274300000000 ] - [ -0.0006037700000000, -0.0000304400000000, 0.0020941500000000 ] - [ -0.0015168500000000, -0.0000080900000000, -0.0066727500000000 ] - [ -0.0022851500000000, -0.0014133100000000, 0.0005609900000000 ] - [ -0.0000492400000000, -0.0001264000000000, -0.0057958400000000 ] - [ -0.0000994700000000, 0.0002631300000000, -0.0000282900000000 ] - [ 0.0036696400000000, -0.0263421100000000, -0.0459471400000000 ] - [ -0.0044450800000000, 0.0005191100000000, 0.0029872600000000 ] - [ 0.0001322200000000, 0.0000321900000000, 0.0016812800000000 ] - [ 0.0030388600000000, 0.0007180600000000, -0.0062082500000000 ] - [ -0.0003590100000000, 0.0003634500000000, 0.0015082200000000 ] - [ 0.0001116100000000, -0.0004686200000000, 0.0087868900000000 ] - [ -0.0041422500000000, 0.0038813300000000, 0.0008600200000000 ] - [ 0.0002980700000000, 0.0002613200000000, 0.0022718900000000 ] - [ -0.0001110300000000, -0.0000017200000000, 0.0024905000000000 ] - [ -0.0000681300000000, 0.0001073800000000, 0.0025822000000000 ] - [ 0.0002505200000000, 0.0000039000000000, 0.0030883500000000 ] - [ 0.0003320500000000, -0.0002604500000000, 0.0023208400000000 ] - [ -0.0001383000000000, -0.0001105500000000, 0.0026537200000000 ] - [ 0.0001261600000000, -0.0000049800000000, 0.0026859300000000 ] - [ 0.0000785800000000, 0.0000070600000000, 0.0024989300000000 ] - [ 0.0000583600000000, 0.0000333300000000, 0.0029823900000000 ] - [ -0.0005599800000000, -0.0001837700000000, 0.0025683400000000 ] - [ -0.0007686300000000, 0.0000354600000000, 0.0018996800000000 ] - [ -0.0061259900000000, 0.0026989200000000, 0.0036998300000000 ] - [ 0.0012491500000000, 0.0000109000000000, 0.0020648900000000 ] - [ 0.0010034000000000, 0.0009696400000000, -0.0080152800000000 ] - [ 0.0045798400000000, -0.0004399300000000, 0.0026484200000000 ] - [ -0.0053485100000000, -0.0026383000000000, -0.0227009400000000 ] - [ -0.0005844500000000, 0.0007478500000000, 0.0059908200000000 ] - [ 0.0019370500000000, -0.0001935600000000, -0.0061004100000000 ] - [ 0.0001835300000000, -0.0000219800000000, -0.0016545200000000 ] - [ -0.0004240500000000, 0.0000286400000000, 0.0021001400000000 ] - [ -0.0258541000000000, 0.0315963100000000, -0.0365425700000000 ] - [ 0.0000481500000000, 0.0003139900000000, 0.0033837700000000 ] - [ 0.0007019700000000, 0.0000277500000000, -0.0015201300000000 ] - [ 0.0064235500000000, 0.0004803200000000, 0.0010367700000000 ] - [ -0.0000427900000000, 0.0001845300000000, 0.0019296900000000 ] - [ -0.0001531300000000, -0.0000016400000000, 0.0023944000000000 ] - [ -0.0001396900000000, 0.0001106600000000, 0.0026513000000000 ] - [ 0.0001545800000000, 0.0000035300000000, 0.0030260000000000 ] - [ -0.0000070500000000, -0.0001837100000000, 0.0019778400000000 ] - [ -0.0000657700000000, -0.0001072200000000, 0.0025831900000000 ] - [ 0.0002777500000000, -0.0000062800000000, 0.0025955100000000 ] - [ -0.0000305400000000, 0.0000039700000000, 0.0022412000000000 ] - [ 0.0060541000000000, 0.0018803000000000, -0.0038430400000000 ] - [ -0.0003295300000000, -0.0000245100000000, 0.0021301800000000 ] - [ 0.0001371500000000, -0.0000030700000000, 0.0022713300000000 ] - [ 0.0014228000000000, -0.0001854400000000, 0.0014618300000000 ] - [ -0.0053822800000000, -0.0032423500000000, -0.0074957300000000 ] - [ 0.0004066100000000, -0.0000200500000000, 0.0011658400000000 ] - [ 0.0001277500000000, -0.0000031600000000, 0.0021716700000000 ] - [ -0.0011093100000000, -0.0004556800000000, 0.0013830400000000 ] - [ -0.0002456900000000, -0.0001908000000000, -0.0010683700000000 ] - [ -0.0008028800000000, 0.0000043200000000, -0.0012689100000000 ] - [ 0.0000041600000000, 0.0002621600000000, -0.0013430400000000 ] - [ 0.0001993200000000, -0.0000292300000000, -0.0017525600000000 ] - [ 0.0053286300000000, 0.0010923800000000, -0.0021039900000000 ] - [ 0.0010676900000000, 0.0001180800000000, -0.0017011900000000 ] - [ 0.0000263200000000, 0.0000281900000000, -0.0016718600000000 ] - [ 0.0006201900000000, 0.0000448500000000, -0.0011287900000000 ] - [ -0.0018617300000000, -0.0005879400000000, 0.0052544200000000 ] - [ 0.0022341300000000, -0.0004240800000000, 0.0012948900000000 ] - [ -0.0004801000000000, 0.0002603400000000, 0.0019161700000000 ] - [ 0.0002847100000000, 0.0000723300000000, -0.0005444400000000 ] - [ -0.0024683300000000, 0.0000964800000000, 0.0019928400000000 ] - [ -0.0013640300000000, 0.0012546900000000, 0.0066113600000000 ] - [ 0.0002271400000000, -0.0003098800000000, 0.0026694900000000 ] - [ -0.0025433500000000, -0.0000553300000000, 0.0016720300000000 ] - [ 0.0467057300000000, 0.0004311900000000, 0.1274727600000000 ] - [ 0.0010418100000000, -0.0009078500000000, -0.0024839000000000 ] - [ -0.0027379600000000, -0.0101217500000000, -0.0114251600000000 ] - [ -0.0010842500000000, -0.0003291000000000, 0.0030062500000000 ] - [ 0.0000307600000000, -0.0000591500000000, -0.0018038300000000 ] - [ -0.0001539800000000, -0.0001054600000000, -0.0002974000000000 ] - [ 0.0011407600000000, -0.0005704900000000, 0.0028278800000000 ] - [ -0.0017821100000000, -0.0000735000000000, -0.0041764300000000 ] - [ 0.0001474000000000, -0.0000086200000000, -0.0012630000000000 ] - [ -0.0000339300000000, 0.0000384200000000, -0.0009863200000000 ] - [ -0.0012873400000000, -0.0000465300000000, -0.0028261200000000 ] - [ -0.0004967000000000, -0.0000634100000000, -0.0020003100000000 ] - [ 0.0000035200000000, 0.0001568500000000, -0.0013574400000000 ] - [ 0.0004472300000000, 0.0000035400000000, -0.0014502300000000 ] - [ -0.0002184600000000, 0.0000255900000000, -0.0017453600000000 ] - [ -0.0000390100000000, -0.0000022500000000, -0.0015820900000000 ] - [ -0.0001348900000000, 0.0002517400000000, -0.0010813200000000 ] - [ 0.0000024400000000, -0.0001572100000000, -0.0013546100000000 ] - [ 0.0000738200000000, -0.0000009700000000, -0.0009658600000000 ] - [ -0.0001405400000000, -0.0002529600000000, -0.0010645200000000 ] - [ 0.0004012900000000, 0.0000009900000000, -0.0010450400000000 ] - [ 0.0001971300000000, 0.0000006900000000, -0.0017108600000000 ] - [ -0.0001844500000000, 0.0004033900000000, -0.0008305000000000 ] - [ -0.0002818200000000, -0.0004167100000000, -0.0008865100000000 ] - [ 0.0000356800000000, -0.0002740400000000, -0.0014020300000000 ] - [ 0.0008148700000000, -0.0000842600000000, -0.0021972700000000 ] - [ -0.0003000700000000, 0.0001782200000000, -0.0010203600000000 ] - [ -0.0003251800000000, -0.0000627400000000, -0.0020219100000000 ] - [ -0.0032496800000000, -0.0004950700000000, -0.0000464800000000 ] - [ -0.0010989300000000, 0.0000048500000000, -0.0007889300000000 ] - [ -0.0005268100000000, 0.0000620600000000, -0.0021852600000000 ] - [ -0.0012800300000000, 0.0002638500000000, -0.0033461800000000 ] - [ -0.0097179900000000, -0.0075406100000000, 0.0075274300000000 ] - [ -0.0032135000000000, 0.0005690400000000, -0.0006126400000000 ] - [ -0.0048426400000000, -0.0066549600000000, -0.0086217800000000 ] - [ -0.0008404800000000, -0.0001323700000000, -0.0024271100000000 ] - [ 0.0140114700000000, -0.0033748100000000, -0.0139546900000000 ] - [ -0.0059915500000000, 0.0032906900000000, 0.0085055600000000 ] - [ -0.0044296600000000, 0.0093122100000000, -0.0116492500000000 ] - [ 0.0029293000000000, -0.0012620100000000, 0.0028039600000000 ] - [ -0.0016665000000000, 0.0003918000000000, 0.0029203000000000 ] - [ -0.0007642800000000, 0.0000449400000000, 0.0002541000000000 ] - [ -0.0001260000000000, 0.0003441200000000, 0.0022036100000000 ] - [ 0.0034004100000000, -0.0013882700000000, 0.0116845200000000 ] - [ 0.0000389300000000, -0.0000631300000000, -0.0011129500000000 ] - [ 0.0007633300000000, 0.0003694500000000, -0.0027061800000000 ] - [ -0.0053484300000000, 0.0082096000000000, -0.0097726500000000 ] - [ 0.0018268300000000, -0.0001556200000000, -0.0018800400000000 ] - [ 0.0000785200000000, -0.0000079900000000, -0.0015136400000000 ] - [ -0.0000029600000000, 0.0000372000000000, -0.0016936300000000 ] - [ 0.0007138400000000, -0.0001053000000000, -0.0006494100000000 ] - [ 0.0000844000000000, -0.0000487200000000, -0.0016014600000000 ] - [ 0.0000341900000000, 0.0001583900000000, -0.0012864800000000 ] - [ 0.0005290100000000, 0.0000039400000000, -0.0012897500000000 ] - [ 0.0003211200000000, 0.0000194900000000, -0.0015909100000000 ] - [ -0.0000468500000000, -0.0000020000000000, -0.0014318900000000 ] - [ 0.0000497500000000, 0.0002548300000000, -0.0010678200000000 ] - [ 0.0000334600000000, -0.0001588200000000, -0.0012841100000000 ] - [ 0.0000725600000000, -0.0000009300000000, -0.0009723900000000 ] - [ 0.0000452400000000, -0.0002556200000000, -0.0010550800000000 ] - [ 0.0003667900000000, 0.0000010700000000, -0.0009470200000000 ] - [ 0.0002043000000000, 0.0000010400000000, -0.0016916700000000 ] - [ -0.0002820800000000, 0.0004182900000000, -0.0008946800000000 ] - [ -0.0001854900000000, -0.0004023400000000, -0.0008252500000000 ]- atom: 74 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001280100000000, 0.0000000000000000, 0.0003169800000000 ] - [ -0.0001165600000000, 0.0000000000000000, -0.0003769300000000 ] - [ 0.0000879900000000, 0.0000423700000000, -0.0001024000000000 ] - [ -0.0004047700000000, 0.0000000000000000, -0.0005455000000000 ] - [ 0.0000752200000000, -0.0000415400000000, -0.0000096200000000 ] - [ -0.0008364100000000, 0.0002322300000000, 0.0003599100000000 ] - [ -0.0001555700000000, 0.0000000000000000, 0.0002984000000000 ] - [ -0.0008364100000000, -0.0002322300000000, 0.0003599100000000 ] - [ -0.0002140900000000, 0.0000000000000000, 0.0000916000000000 ] - [ 0.0102989900000000, 0.0000000000000000, 0.0000726900000000 ] - [ 0.0275488000000000, 0.0022572500000000, -0.0028401300000000 ] - [ -0.0030056900000000, 0.0000000000000000, 0.0002161800000000 ] - [ -0.0009488900000000, 0.0000000000000000, -0.0023968800000000 ] - [ -0.0077926400000000, 0.0000000000000000, 0.0059608800000000 ] - [ 0.0275488000000000, -0.0022572500000000, -0.0028401300000000 ] - [ 0.0249762600000000, 0.0000000000000000, 0.0024625300000000 ] - [ -0.0005635300000000, -0.0002389300000000, -0.0022241200000000 ] - [ 0.0000391100000000, 0.0000000000000000, 0.0001386500000000 ] - [ 0.0000242400000000, 0.0000965700000000, 0.0005297700000000 ] - [ -0.0001450300000000, 0.0000000000000000, 0.0000625400000000 ] - [ -0.0005635300000000, 0.0002389300000000, -0.0022241200000000 ] - [ -0.0002511900000000, -0.0001261900000000, 0.0003860000000000 ] - [ 0.0014076400000000, 0.0000000000000000, 0.0002982100000000 ] - [ 0.0000777300000000, 0.0000000000000000, -0.0001948600000000 ] - [ 0.0001602400000000, 0.0000000000000000, 0.0002349900000000 ] - [ -0.0000061700000000, 0.0000000000000000, -0.0004318700000000 ] - [ 0.0000752200000000, 0.0000415400000000, -0.0000096200000000 ] - [ 0.0000891400000000, 0.0000000000000000, -0.0002206100000000 ] - [ 0.0000879900000000, -0.0000423700000000, -0.0001024000000000 ] - [ 0.0010652000000000, 0.0000813700000000, -0.0005242000000000 ] - [ 0.0000118600000000, 0.0000000000000000, -0.0001654900000000 ] - [ 0.0010652000000000, -0.0000813700000000, -0.0005242000000000 ] - [ 0.0000157200000000, 0.0000000000000000, -0.0000071900000000 ] - [ -0.0028312200000000, 0.0000000000000000, 0.0001042100000000 ] - [ -0.0078906300000000, -0.0008923900000000, -0.0039485800000000 ] - [ 0.0038281100000000, 0.0000000000000000, -0.0012336300000000 ] - [ 0.0014322700000000, 0.0000000000000000, 0.0023338400000000 ] - [ 0.0052780600000000, 0.0000000000000000, -0.0068311200000000 ] - [ -0.0078906300000000, 0.0008923900000000, -0.0039485800000000 ] - [ -0.0071433500000000, 0.0000000000000000, 0.0068874600000000 ] - [ -0.0004504200000000, 0.0014641300000000, 0.0024575100000000 ] - [ -0.0002744900000000, 0.0000000000000000, 0.0004015300000000 ] - [ -0.0002511900000000, 0.0001261900000000, 0.0003860000000000 ] - [ 0.0004424200000000, 0.0000000000000000, 0.0009825500000000 ] - [ -0.0004504200000000, -0.0014641300000000, 0.0024575100000000 ] - [ 0.0000242400000000, -0.0000965700000000, 0.0005297700000000 ] - [ -0.0008505600000000, 0.0000000000000000, 0.0004305700000000 ] - [ -0.0000095200000000, 0.0000000000000000, -0.0001030100000000 ] - [ -0.0045642100000000, 0.0000000000000000, 0.0017800100000000 ] - [ 0.0078015900000000, 0.0000000000000000, -0.0015178100000000 ] - [ 0.0002936600000000, 0.0000000000000000, 0.0000684200000000 ] - [ -0.0100556000000000, 0.0000000000000000, -0.0028089400000000 ] - [ -0.0007253500000000, 0.0000000000000000, -0.0023132400000000 ] - [ -0.0040939400000000, 0.0000000000000000, 0.0001102500000000 ] - [ 0.0000058800000000, 0.0000000000000000, 0.0009291300000000 ] - [ 0.0029920800000000, 0.0000000000000000, 0.0021947600000000 ] - [ 0.0000059200000000, 0.0000365400000000, 0.0001195000000000 ] - [ -0.0000407200000000, 0.0000000000000000, -0.0001981500000000 ] - [ -0.0000185200000000, -0.0000401900000000, 0.0001249300000000 ] - [ -0.0003296700000000, 0.0000000000000000, -0.0005225700000000 ] - [ -0.0002100400000000, -0.0001579700000000, -0.0005500600000000 ] - [ -0.0002419700000000, 0.0000000000000000, -0.0000149100000000 ] - [ -0.0002112300000000, 0.0000000000000000, -0.0000752900000000 ] - [ -0.0000498200000000, 0.0000064900000000, -0.0002017100000000 ] - [ 0.0005570400000000, 0.0000000000000000, -0.0015885000000000 ] - [ -0.0002100400000000, 0.0001579700000000, -0.0005500600000000 ] - [ 0.0003102200000000, 0.0000000000000000, -0.0004329900000000 ] - [ -0.0000498200000000, -0.0000064900000000, -0.0002017100000000 ] - [ 0.0035843700000000, 0.0003578300000000, -0.0007365900000000 ] - [ 0.0008546900000000, 0.0000000000000000, -0.0007810500000000 ] - [ 0.0004916600000000, 0.0000000000000000, 0.0000575500000000 ] - [ 0.0035843700000000, -0.0003578300000000, -0.0007365900000000 ] - [ -0.0024828500000000, -0.0005800800000000, -0.0007366300000000 ] - [ -0.1237816700000000, 0.0000000000000000, 0.0026664200000000 ] - [ 0.0066648200000000, 0.0000000000000000, -0.0276932200000000 ] - [ 0.0011083300000000, 0.0003115400000000, 0.0005697400000000 ] - [ -0.0024629300000000, 0.0012566000000000, 0.0032872300000000 ] - [ 0.0063777100000000, 0.0000000000000000, -0.0002367300000000 ] - [ 0.0030885500000000, 0.0000000000000000, 0.0029028300000000 ] - [ 0.0127231200000000, 0.0113667700000000, -0.0012392900000000 ] - [ 0.0009550400000000, 0.0000000000000000, -0.0012705400000000 ] - [ 0.0021603000000000, -0.0001465100000000, -0.0013258000000000 ] - [ 0.0127231200000000, -0.0113667700000000, -0.0012392900000000 ] - [ 0.0010021200000000, 0.0000000000000000, 0.0024910400000000 ] - [ 0.0000873400000000, 0.0001819800000000, 0.0004511400000000 ] - [ 0.0002297200000000, 0.0000000000000000, 0.0009745900000000 ] - [ 0.0019016400000000, 0.0000000000000000, 0.0017172200000000 ] - [ -0.0000117800000000, 0.0000000000000000, 0.0004652700000000 ] - [ 0.0009459000000000, 0.0001535800000000, 0.0009272200000000 ] - [ 0.0000873400000000, -0.0001819800000000, 0.0004511400000000 ] - [ 0.0002743300000000, 0.0000000000000000, 0.0005844400000000 ] - [ 0.0009459000000000, -0.0001535800000000, 0.0009272200000000 ] - [ 0.0000754600000000, 0.0000000000000000, 0.0003992500000000 ] - [ -0.0000051400000000, 0.0000000000000000, 0.0000328900000000 ] - [ -0.0000080000000000, 0.0001260500000000, 0.0004830200000000 ] - [ -0.0001302100000000, -0.0001135400000000, 0.0005059000000000 ] - [ -0.0000185200000000, 0.0000401900000000, 0.0001249300000000 ] - [ -0.0001523700000000, 0.0000000000000000, -0.0002946200000000 ] - [ 0.0000059200000000, -0.0000365400000000, 0.0001195000000000 ] - [ -0.0003580400000000, 0.0000000000000000, -0.0004752700000000 ] - [ -0.0000507300000000, -0.0001059900000000, -0.0000319000000000 ] - [ -0.0001496800000000, 0.0000000000000000, 0.0000768600000000 ] - [ -0.0002286900000000, 0.0000000000000000, -0.0000189800000000 ] - [ -0.0001264900000000, 0.0000004500000000, -0.0001017500000000 ] - [ -0.0010713600000000, 0.0000000000000000, 0.0008540600000000 ] - [ -0.0000507300000000, 0.0001059900000000, -0.0000319000000000 ] - [ -0.0004580600000000, 0.0000000000000000, -0.0001563500000000 ] - [ -0.0001264900000000, -0.0000004500000000, -0.0001017500000000 ] - [ -0.0045825900000000, 0.0070109100000000, 0.0138038700000000 ] - [ -0.0002312400000000, 0.0000000000000000, 0.0014006100000000 ] - [ 0.0000363200000000, 0.0000000000000000, 0.0002134600000000 ] - [ -0.0045825900000000, -0.0070109100000000, 0.0138038700000000 ] - [ 0.0011083300000000, -0.0003115400000000, 0.0005697400000000 ] - [ 0.0081120100000000, 0.0000000000000000, 0.0002715900000000 ] - [ 0.0029323400000000, 0.0000000000000000, 0.0015384800000000 ] - [ -0.0024828500000000, 0.0005800800000000, -0.0007366300000000 ] - [ 0.0021603000000000, 0.0001465100000000, -0.0013258000000000 ] - [ -0.0090198300000000, 0.0000000000000000, -0.0001508600000000 ] - [ -0.0022206600000000, 0.0000000000000000, -0.0034750100000000 ] - [ 0.0158660400000000, 0.0072900000000000, 0.0002344800000000 ] - [ 0.0000439500000000, 0.0000000000000000, 0.0015965000000000 ] - [ -0.0024629300000000, -0.0012566000000000, 0.0032872300000000 ] - [ 0.0158660400000000, -0.0072900000000000, 0.0002344800000000 ] - [ 0.0010501700000000, 0.0000000000000000, -0.0061039200000000 ] - [ -0.0000365100000000, 0.0001397600000000, -0.0000003100000000 ] - [ 0.0006845200000000, 0.0000000000000000, -0.0005109500000000 ] - [ -0.0013677500000000, 0.0000000000000000, -0.0019083800000000 ] - [ -0.0000713000000000, 0.0000000000000000, 0.0003155000000000 ] - [ -0.0011016900000000, 0.0000556300000000, -0.0000540300000000 ] - [ -0.0000365100000000, -0.0001397600000000, -0.0000003100000000 ] - [ -0.0001269700000000, 0.0000000000000000, 0.0005066200000000 ] - [ -0.0011016900000000, -0.0000556300000000, -0.0000540300000000 ] - [ 0.0000318800000000, 0.0000000000000000, 0.0003073600000000 ] - [ 0.0004024000000000, 0.0000000000000000, 0.0000803100000000 ] - [ -0.0001302100000000, 0.0001135400000000, 0.0005059000000000 ] - [ -0.0000080000000000, -0.0001260500000000, 0.0004830200000000 ]- atom: 74 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001610900000000, 0.0000000000000000, 0.0002706100000000 ] - [ -0.0000078100000000, 0.0000000000000000, -0.0004045000000000 ] - [ 0.0000716300000000, 0.0000366800000000, 0.0000251700000000 ] - [ 0.0001733700000000, 0.0000000000000000, -0.0001691200000000 ] - [ 0.0000854700000000, -0.0000374700000000, -0.0000672300000000 ] - [ 0.0008010500000000, -0.0002238000000000, -0.0003438300000000 ] - [ -0.0000417400000000, 0.0000000000000000, -0.0001358500000000 ] - [ 0.0008010500000000, 0.0002238000000000, -0.0003438300000000 ] - [ 0.0000166800000000, 0.0000000000000000, 0.0000283900000000 ] - [ -0.0102707600000000, 0.0000000000000000, -0.0001611900000000 ] - [ -0.0271658600000000, -0.0018916600000000, 0.0016905200000000 ] - [ 0.0031078800000000, 0.0000000000000000, -0.0006461500000000 ] - [ 0.0015344900000000, 0.0000000000000000, 0.0021852200000000 ] - [ 0.0078860800000000, 0.0000000000000000, -0.0066647500000000 ] - [ -0.0271658600000000, 0.0018916600000000, 0.0016905200000000 ] - [ -0.0267104000000000, 0.0000000000000000, -0.0044424900000000 ] - [ 0.0007021200000000, 0.0003266300000000, 0.0022292700000000 ] - [ -0.0002817300000000, 0.0000000000000000, 0.0004457000000000 ] - [ -0.0002419900000000, 0.0001378200000000, 0.0004147400000000 ] - [ 0.0005641800000000, 0.0000000000000000, 0.0010248300000000 ] - [ 0.0007021200000000, -0.0003266300000000, 0.0022292700000000 ] - [ 0.0000355100000000, -0.0001082300000000, 0.0005582200000000 ] - [ -0.0010187000000000, 0.0000000000000000, 0.0004602500000000 ] - [ -0.0000130500000000, 0.0000000000000000, -0.0000626300000000 ] - [ 0.0001293000000000, 0.0000000000000000, 0.0003523300000000 ] - [ -0.0001171700000000, 0.0000000000000000, -0.0003504200000000 ] - [ 0.0000854700000000, 0.0000374700000000, -0.0000672300000000 ] - [ -0.0003131800000000, 0.0000000000000000, -0.0004952900000000 ] - [ 0.0000716300000000, -0.0000366800000000, 0.0000251700000000 ] - [ -0.0011021000000000, -0.0000735700000000, 0.0005261900000000 ] - [ -0.0002114900000000, 0.0000000000000000, 0.0003245200000000 ] - [ -0.0011021000000000, 0.0000735700000000, 0.0005261900000000 ] - [ -0.0002115700000000, 0.0000000000000000, 0.0001237000000000 ] - [ 0.0028267500000000, 0.0000000000000000, -0.0001344600000000 ] - [ 0.0081035400000000, 0.0007426000000000, 0.0032600300000000 ] - [ -0.0037574200000000, 0.0000000000000000, 0.0008288200000000 ] - [ -0.0008109500000000, 0.0000000000000000, -0.0025608800000000 ] - [ -0.0051283100000000, 0.0000000000000000, 0.0061741000000000 ] - [ 0.0081035400000000, -0.0007426000000000, 0.0032600300000000 ] - [ 0.0078710400000000, 0.0000000000000000, -0.0071690800000000 ] - [ 0.0005620900000000, -0.0013867100000000, -0.0024646400000000 ] - [ 0.0000320800000000, 0.0000000000000000, 0.0001814200000000 ] - [ 0.0000355100000000, 0.0001082300000000, 0.0005582200000000 ] - [ -0.0000310000000000, 0.0000000000000000, 0.0001038100000000 ] - [ 0.0005620900000000, 0.0013867100000000, -0.0024646400000000 ] - [ -0.0002419900000000, -0.0001378200000000, 0.0004147400000000 ] - [ 0.0012478300000000, 0.0000000000000000, 0.0003217600000000 ] - [ 0.0000741600000000, 0.0000000000000000, -0.0001544900000000 ] - [ 0.0044132900000000, 0.0000000000000000, -0.0021987500000000 ] - [ -0.0077649500000000, 0.0000000000000000, 0.0009273400000000 ] - [ -0.0000297000000000, 0.0000000000000000, 0.0009554800000000 ] - [ 0.0099948100000000, 0.0000000000000000, 0.0022758900000000 ] - [ 0.0005242300000000, 0.0000000000000000, 0.0018828900000000 ] - [ 0.0041606700000000, 0.0000000000000000, -0.0000939100000000 ] - [ 0.0002580600000000, 0.0000000000000000, 0.0000893900000000 ] - [ -0.0030761600000000, 0.0000000000000000, -0.0027094500000000 ] - [ -0.0000206800000000, 0.0000375200000000, 0.0001010500000000 ] - [ -0.0001621100000000, 0.0000000000000000, -0.0003189000000000 ] - [ 0.0000032600000000, -0.0000338100000000, 0.0000957700000000 ] - [ -0.0003551000000000, 0.0000000000000000, -0.0004957100000000 ] - [ -0.0000539100000000, -0.0000699100000000, -0.0001181000000000 ] - [ -0.0001487600000000, 0.0000000000000000, 0.0000396400000000 ] - [ -0.0002285200000000, 0.0000000000000000, -0.0000494200000000 ] - [ -0.0001188000000000, 0.0000086500000000, -0.0001241500000000 ] - [ -0.0014641700000000, 0.0000000000000000, 0.0008420700000000 ] - [ -0.0000539100000000, 0.0000699100000000, -0.0001181000000000 ] - [ -0.0004730600000000, 0.0000000000000000, -0.0000253000000000 ] - [ -0.0001188000000000, -0.0000086500000000, -0.0001241500000000 ] - [ -0.0036388200000000, -0.0002746800000000, 0.0006016100000000 ] - [ -0.0004658600000000, 0.0000000000000000, 0.0006106200000000 ] - [ 0.0000862600000000, 0.0000000000000000, 0.0001583500000000 ] - [ -0.0036388200000000, 0.0002746800000000, 0.0006016100000000 ] - [ 0.0023696400000000, 0.0002817600000000, 0.0007824900000000 ] - [ 0.1257083000000000, 0.0000000000000000, 0.0007414000000000 ] - [ -0.0070319000000000, 0.0000000000000000, 0.0267479300000000 ] - [ -0.0012103500000000, -0.0000123200000000, -0.0005354600000000 ] - [ 0.0024002900000000, -0.0013500500000000, -0.0030118000000000 ] - [ -0.0061300400000000, 0.0000000000000000, -0.0002584700000000 ] - [ -0.0027365000000000, 0.0000000000000000, -0.0033803000000000 ] - [ -0.0127581600000000, -0.0112604500000000, 0.0002205500000000 ] - [ -0.0007380100000000, 0.0000000000000000, 0.0015946100000000 ] - [ -0.0022068100000000, 0.0002339600000000, 0.0016399400000000 ] - [ -0.0127581600000000, 0.0112604500000000, 0.0002205500000000 ] - [ -0.0014031000000000, 0.0000000000000000, -0.0028768600000000 ] - [ -0.0000482200000000, 0.0001421500000000, -0.0000458500000000 ] - [ 0.0005795900000000, 0.0000000000000000, -0.0006851100000000 ] - [ -0.0017819400000000, 0.0000000000000000, -0.0019795700000000 ] - [ -0.0000767100000000, 0.0000000000000000, 0.0002842800000000 ] - [ -0.0009610200000000, 0.0002179800000000, -0.0000109300000000 ] - [ -0.0000482200000000, -0.0001421500000000, -0.0000458500000000 ] - [ -0.0001403500000000, 0.0000000000000000, 0.0005266500000000 ] - [ -0.0009610200000000, -0.0002179800000000, -0.0000109300000000 ] - [ 0.0000371800000000, 0.0000000000000000, 0.0002809800000000 ] - [ 0.0004097800000000, 0.0000000000000000, 0.0000504400000000 ] - [ -0.0001299200000000, 0.0001210600000000, 0.0004852800000000 ] - [ -0.0000074400000000, -0.0001336100000000, 0.0004619800000000 ] - [ 0.0000032600000000, 0.0000338100000000, 0.0000957700000000 ] - [ -0.0000520500000000, 0.0000000000000000, -0.0002226400000000 ] - [ -0.0000206800000000, -0.0000375200000000, 0.0001010500000000 ] - [ -0.0003266000000000, 0.0000000000000000, -0.0005428500000000 ] - [ -0.0002084800000000, -0.0001208300000000, -0.0006329100000000 ] - [ -0.0002393600000000, 0.0000000000000000, -0.0000520600000000 ] - [ -0.0002101700000000, 0.0000000000000000, -0.0001056100000000 ] - [ -0.0000418300000000, 0.0000144600000000, -0.0002226100000000 ] - [ 0.0001684500000000, 0.0000000000000000, -0.0015867100000000 ] - [ -0.0002084800000000, 0.0001208300000000, -0.0006329100000000 ] - [ 0.0002934100000000, 0.0000000000000000, -0.0002967100000000 ] - [ -0.0000418300000000, -0.0000144600000000, -0.0002226100000000 ] - [ 0.0046464200000000, -0.0068858900000000, -0.0138623900000000 ] - [ 0.0006357700000000, 0.0000000000000000, -0.0015548300000000 ] - [ 0.0005408500000000, 0.0000000000000000, 0.0000086800000000 ] - [ 0.0046464200000000, 0.0068858900000000, -0.0138623900000000 ] - [ -0.0012103500000000, 0.0000123200000000, -0.0005354600000000 ] - [ -0.0082289500000000, 0.0000000000000000, -0.0001602000000000 ] - [ -0.0032834100000000, 0.0000000000000000, -0.0022553800000000 ] - [ 0.0023696400000000, -0.0002817600000000, 0.0007824900000000 ] - [ -0.0022068100000000, -0.0002339600000000, 0.0016399400000000 ] - [ 0.0092692200000000, 0.0000000000000000, -0.0003407600000000 ] - [ 0.0025320300000000, 0.0000000000000000, 0.0030274000000000 ] - [ -0.0162747400000000, -0.0074914900000000, -0.0012594800000000 ] - [ 0.0001688800000000, 0.0000000000000000, -0.0012918500000000 ] - [ 0.0024002900000000, 0.0013500500000000, -0.0030118000000000 ] - [ -0.0162747400000000, 0.0074914900000000, -0.0012594800000000 ] - [ -0.0014372100000000, 0.0000000000000000, 0.0057577800000000 ] - [ 0.0000776700000000, 0.0001846200000000, 0.0004074600000000 ] - [ 0.0001313500000000, 0.0000000000000000, 0.0008083600000000 ] - [ 0.0015107400000000, 0.0000000000000000, 0.0016433900000000 ] - [ -0.0000164600000000, 0.0000000000000000, 0.0004342700000000 ] - [ 0.0010971900000000, 0.0003172900000000, 0.0009686500000000 ] - [ 0.0000776700000000, -0.0001846200000000, 0.0004074600000000 ] - [ 0.0002630100000000, 0.0000000000000000, 0.0006030600000000 ] - [ 0.0010971900000000, -0.0003172900000000, 0.0009686500000000 ] - [ 0.0000814400000000, 0.0000000000000000, 0.0003730400000000 ] - [ 0.0000007300000000, 0.0000000000000000, 0.0000041900000000 ] - [ -0.0000074400000000, 0.0001336100000000, 0.0004619800000000 ] - [ -0.0001299200000000, -0.0001210600000000, 0.0004852800000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001445200000000, 0.0000006500000000, 0.0002939900000000 ] - [ -0.0000620500000000, 0.0000039200000000, -0.0003906900000000 ] - [ 0.0000821800000000, 0.0000401000000000, -0.0000350700000000 ] - [ -0.0001138600000000, -0.0000317100000000, -0.0003573700000000 ] - [ 0.0000774500000000, -0.0000391200000000, -0.0000407200000000 ] - [ 0.0000009100000000, 0.0000023400000000, -0.0000118400000000 ] - [ -0.0000992800000000, 0.0000407400000000, 0.0000802900000000 ] - [ -0.0000371700000000, -0.0000030300000000, 0.0000224100000000 ] - [ -0.0000984000000000, -0.0000041300000000, 0.0000593800000000 ] - [ -0.0000206300000000, 0.0070011100000000, -0.0000375300000000 ] - [ 0.0038476700000000, 0.0219645400000000, -0.0098215400000000 ] - [ 0.0000415800000000, 0.0002236800000000, -0.0002091100000000 ] - [ 0.0003031200000000, 0.0004940100000000, -0.0001133600000000 ] - [ 0.0000110200000000, 0.0042166100000000, -0.0003223900000000 ] - [ -0.0026392900000000, 0.0205021800000000, 0.0077887300000000 ] - [ 0.0003965900000000, 0.0224180700000000, -0.0001488000000000 ] - [ 0.0011688800000000, 0.0001511900000000, 0.0008159700000000 ] - [ -0.0001211800000000, -0.0000081100000000, 0.0002916900000000 ] - [ -0.0001144400000000, 0.0001177700000000, 0.0004668000000000 ] - [ 0.0002054400000000, -0.0000146500000000, 0.0005434600000000 ] - [ -0.0010619400000000, 0.0000680500000000, -0.0008173300000000 ] - [ -0.0001037400000000, -0.0001167500000000, 0.0004760000000000 ] - [ 0.0001996800000000, 0.0002005400000000, 0.0003774400000000 ] - [ 0.0000321900000000, 0.0000017000000000, -0.0001287900000000 ] - [ 0.0001444700000000, -0.0000018400000000, 0.0002937300000000 ] - [ -0.0000620700000000, 0.0000034000000000, -0.0003907800000000 ] - [ 0.0000824200000000, 0.0000399300000000, -0.0000358400000000 ] - [ -0.0001135600000000, -0.0000837700000000, -0.0003579300000000 ] - [ 0.0000775400000000, -0.0000389600000000, -0.0000414200000000 ] - [ 0.0003192700000000, 0.0000239700000000, 0.0004722000000000 ] - [ -0.0000997300000000, 0.0000359900000000, 0.0000804300000000 ] - [ -0.0003602600000000, 0.0000176100000000, -0.0004628400000000 ] - [ -0.0000985000000000, -0.0000060700000000, 0.0000590300000000 ] - [ -0.0000041100000000, -0.0001931900000000, -0.0000223200000000 ] - [ -0.0018743900000000, -0.0001319000000000, -0.0020362300000000 ] - [ 0.0000513700000000, -0.0021172500000000, -0.0002187900000000 ] - [ 0.0003057400000000, -0.0009277000000000, -0.0001072800000000 ] - [ -0.0000125100000000, -0.0075323800000000, -0.0003546200000000 ] - [ 0.0020562100000000, 0.0000135300000000, 0.0013015600000000 ] - [ 0.0003450500000000, -0.0037271200000000, -0.0001535100000000 ] - [ 0.0001150500000000, 0.0000769600000000, -0.0002711900000000 ] - [ -0.0001215500000000, -0.0000096500000000, 0.0002922400000000 ] - [ -0.0001142300000000, 0.0001176000000000, 0.0004688300000000 ] - [ 0.0002076600000000, -0.0001127100000000, 0.0005442300000000 ] - [ 0.0000042200000000, -0.0000245800000000, 0.0002821200000000 ] - [ -0.0001020100000000, -0.0001164700000000, 0.0004780700000000 ] - [ 0.0001957800000000, -0.0000227800000000, 0.0003784200000000 ] - [ 0.0000321600000000, 0.0000012200000000, -0.0001284200000000 ] - [ -0.0000709200000000, 0.0000425700000000, -0.0002123800000000 ] - [ 0.0000499800000000, 0.0044059400000000, -0.0003123000000000 ] - [ 0.0001320200000000, 0.0000234900000000, 0.0005094600000000 ] - [ -0.0000151700000000, 0.0029577600000000, -0.0002572600000000 ] - [ -0.0000874300000000, -0.0053953700000000, -0.0002119700000000 ] - [ 0.0000239800000000, -0.0006504500000000, 0.0000183400000000 ] - [ 0.0001319100000000, 0.0000077300000000, 0.0005117600000000 ] - [ 0.0000431600000000, -0.0091083800000000, -0.0002658100000000 ] - [ -0.0000080800000000, 0.0000375800000000, 0.0001114400000000 ] - [ -0.0001018500000000, 0.0000060200000000, -0.0002585600000000 ] - [ -0.0000072500000000, -0.0000367800000000, 0.0001088900000000 ] - [ -0.0003427300000000, 0.0000009300000000, -0.0005094800000000 ] - [ -0.0001703600000000, -0.0001237600000000, -0.0002889600000000 ] - [ -0.0001948600000000, -0.0000048900000000, 0.0000122100000000 ] - [ -0.0002199800000000, -0.0000004700000000, -0.0000622200000000 ] - [ -0.0000896000000000, 0.0000062900000000, -0.0001547200000000 ] - [ -0.0004551100000000, -0.0000602800000000, -0.0003689900000000 ] - [ -0.0000922000000000, 0.0001032600000000, -0.0003781000000000 ] - [ -0.0000824100000000, -0.0000077300000000, -0.0002277100000000 ] - [ -0.0000796100000000, -0.0000092200000000, -0.0001708500000000 ] - [ 0.0002814800000000, 0.0001328700000000, -0.0004655100000000 ] - [ 0.0001969600000000, 0.0000975700000000, -0.0000845600000000 ] - [ 0.0002887800000000, 0.0000121300000000, 0.0001090300000000 ] - [ -0.0003286100000000, 0.0000523300000000, 0.0003399000000000 ] - [ -0.0009527400000000, 0.0000757200000000, 0.0010719500000000 ] - [ -0.0011297600000000, -0.1229481000000000, 0.0018014100000000 ] - [ -0.0002404600000000, -0.0065596800000000, -0.0002639500000000 ] - [ -0.0000430600000000, 0.0001399800000000, 0.0000644200000000 ] - [ 0.0013111600000000, 0.0017501300000000, 0.0037420600000000 ] - [ 0.0001347000000000, -0.0020053200000000, -0.0002458300000000 ] - [ 0.0001745400000000, -0.0017215800000000, -0.0002197200000000 ] - [ 0.0083366100000000, 0.0064565700000000, -0.0007861300000000 ] - [ 0.0001114900000000, -0.0000589100000000, 0.0001527300000000 ] - [ -0.0001928300000000, -0.0000962300000000, 0.0006574800000000 ] - [ -0.0084109700000000, 0.0065142700000000, -0.0002383100000000 ] - [ -0.0001894100000000, 0.0010889000000000, -0.0001967800000000 ] - [ 0.0000303400000000, 0.0001675600000000, 0.0002226100000000 ] - [ 0.0004077900000000, -0.0002954400000000, 0.0001493000000000 ] - [ 0.0000679500000000, -0.0005152400000000, -0.0001333500000000 ] - [ -0.0000441400000000, 0.0000031300000000, 0.0003744200000000 ] - [ 0.0000464500000000, 0.0001871600000000, 0.0004467400000000 ] - [ 0.0000107400000000, -0.0001577500000000, 0.0001842100000000 ] - [ 0.0000674300000000, 0.0000013600000000, 0.0005545400000000 ] - [ -0.0000540200000000, -0.0001854300000000, 0.0004666300000000 ] - [ 0.0000566700000000, -0.0000025400000000, 0.0003398500000000 ] - [ 0.0002013800000000, -0.0000084700000000, 0.0000417400000000 ] - [ -0.0000710300000000, 0.0001233200000000, 0.0004855900000000 ] - [ -0.0000688300000000, -0.0001239800000000, 0.0004821700000000 ] - [ -0.0000079300000000, 0.0000375000000000, 0.0001112300000000 ] - [ -0.0001019300000000, 0.0000041600000000, -0.0002584900000000 ] - [ -0.0000072300000000, -0.0000367800000000, 0.0001085200000000 ] - [ -0.0003427400000000, 0.0000010200000000, -0.0005094200000000 ] - [ -0.0001026800000000, -0.0001084500000000, -0.0002716200000000 ] - [ -0.0001947900000000, -0.0000066800000000, 0.0000120900000000 ] - [ -0.0002196300000000, -0.0000008200000000, -0.0000621600000000 ] - [ -0.0000857400000000, 0.0000063300000000, -0.0001544700000000 ] - [ -0.0004514700000000, 0.0008795000000000, -0.0003711700000000 ] - [ -0.0001589900000000, 0.0001183100000000, -0.0003959300000000 ] - [ -0.0000815000000000, 0.0000587600000000, -0.0002275300000000 ] - [ -0.0000832100000000, -0.0000090400000000, -0.0001709000000000 ] - [ 0.0071867800000000, 0.0065003000000000, 0.0228272400000000 ] - [ 0.0001970200000000, -0.0013911600000000, -0.0000859300000000 ] - [ 0.0002891800000000, -0.0000691800000000, 0.0001097000000000 ] - [ -0.0072850100000000, 0.0063502400000000, -0.0231222000000000 ] - [ -0.0000614800000000, -0.0001589300000000, -0.0000236500000000 ] - [ -0.0000423700000000, 0.0018066500000000, 0.0000596700000000 ] - [ -0.0001794000000000, 0.0012315900000000, -0.0003442300000000 ] - [ 0.0008521900000000, 0.0003689300000000, -0.0010255300000000 ] - [ 0.0001562000000000, -0.0001813400000000, -0.0003603600000000 ] - [ 0.0001652700000000, 0.0407897400000000, -0.0002406700000000 ] - [ 0.0001767700000000, 0.0023112500000000, -0.0002400200000000 ] - [ 0.0100250500000000, 0.0014845400000000, -0.0000675000000000 ] - [ 0.0001105500000000, 0.0008841100000000, 0.0001612100000000 ] - [ -0.0013379400000000, 0.0018451500000000, -0.0033957300000000 ] - [ -0.0102372100000000, 0.0015066400000000, -0.0009545200000000 ] - [ -0.0001839600000000, -0.0020369400000000, -0.0002170800000000 ] - [ 0.0000088600000000, 0.0001694500000000, 0.0002225800000000 ] - [ 0.0004057000000000, 0.0000428900000000, 0.0001468800000000 ] - [ 0.0000573500000000, 0.0008645200000000, -0.0001298500000000 ] - [ -0.0000443700000000, 0.0000024300000000, 0.0003741100000000 ] - [ -0.0002175100000000, 0.0002089200000000, 0.0006041800000000 ] - [ 0.0000309400000000, -0.0001555800000000, 0.0001824000000000 ] - [ 0.0000665000000000, 0.0000126500000000, 0.0005548600000000 ] - [ 0.0002016700000000, -0.0001606300000000, 0.0003090500000000 ] - [ 0.0000564500000000, -0.0000020900000000, 0.0003397400000000 ] - [ 0.0002019900000000, 0.0000006500000000, 0.0000413200000000 ] - [ -0.0000696200000000, 0.0001234800000000, 0.0004855700000000 ] - [ -0.0000672000000000, -0.0001242100000000, 0.0004819000000000 ]- atom: 74 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001466000000000, 0.0000000000000000, -0.0022322600000000 ] - [ -0.0001031600000000, 0.0000000000000000, -0.0025082100000000 ] - [ -0.0000108900000000, 0.0000429000000000, -0.0022805100000000 ] - [ -0.0006341200000000, 0.0000000000000000, -0.0023605000000000 ] - [ 0.0001387500000000, -0.0000445700000000, -0.0022050100000000 ] - [ 0.0003302800000000, -0.0003437200000000, -0.0014879300000000 ] - [ 0.0000157900000000, 0.0000000000000000, -0.0021741000000000 ] - [ 0.0003302800000000, 0.0003437200000000, -0.0014879300000000 ] - [ -0.0000923600000000, 0.0000000000000000, -0.0019747700000000 ] - [ 0.0012050700000000, 0.0000000000000000, -0.0086748900000000 ] - [ 0.0001685200000000, -0.0066501900000000, 0.0373767000000000 ] - [ -0.0005254000000000, 0.0000000000000000, -0.0001847100000000 ] - [ -0.0025458900000000, 0.0000000000000000, -0.0000351600000000 ] - [ 0.0037543200000000, 0.0000000000000000, 0.0062519700000000 ] - [ 0.0001685200000000, 0.0066501900000000, 0.0373767000000000 ] - [ 0.0087965300000000, 0.0000000000000000, 0.0358784800000000 ] - [ -0.0038203100000000, -0.0003323400000000, -0.0022422700000000 ] - [ -0.0001620200000000, 0.0000000000000000, -0.0020329900000000 ] - [ 0.0000073600000000, 0.0001371900000000, -0.0018384400000000 ] - [ -0.0005149500000000, 0.0000000000000000, -0.0018617900000000 ] - [ -0.0038203100000000, 0.0003323400000000, -0.0022422700000000 ] - [ -0.0002488700000000, -0.0001365600000000, -0.0016882200000000 ] - [ 0.0004314600000000, 0.0000000000000000, -0.0028391600000000 ] - [ 0.0000047600000000, 0.0000000000000000, -0.0027723500000000 ] - [ 0.0001559600000000, 0.0000000000000000, -0.0022774200000000 ] - [ 0.0000157700000000, 0.0000000000000000, -0.0026571700000000 ] - [ 0.0001387500000000, 0.0000445700000000, -0.0022050100000000 ] - [ 0.0004871100000000, 0.0000000000000000, -0.0026749900000000 ] - [ -0.0000108900000000, -0.0000429000000000, -0.0022805100000000 ] - [ -0.0003338200000000, -0.0003127900000000, -0.0037892700000000 ] - [ -0.0004248000000000, 0.0000000000000000, -0.0026564700000000 ] - [ -0.0003338200000000, 0.0003127900000000, -0.0037892700000000 ] - [ 0.0000925400000000, 0.0000000000000000, -0.0025454500000000 ] - [ -0.0006519000000000, 0.0000000000000000, 0.0015555800000000 ] - [ -0.0010097600000000, -0.0001095600000000, 0.0059509500000000 ] - [ 0.0033076200000000, 0.0000000000000000, -0.0042483800000000 ] - [ 0.0034615000000000, 0.0000000000000000, -0.0003035900000000 ] - [ -0.0041027800000000, 0.0000000000000000, 0.0058973900000000 ] - [ -0.0010097600000000, 0.0001095600000000, 0.0059509500000000 ] - [ -0.0001684100000000, 0.0000000000000000, 0.0089050800000000 ] - [ 0.0024699000000000, -0.0016020900000000, -0.0016279000000000 ] - [ -0.0000325800000000, 0.0000000000000000, -0.0018621600000000 ] - [ -0.0002488700000000, 0.0001365600000000, -0.0016882200000000 ] - [ 0.0009139700000000, 0.0000000000000000, -0.0021216800000000 ] - [ 0.0024699000000000, 0.0016020900000000, -0.0016279000000000 ] - [ 0.0000073600000000, -0.0001371900000000, -0.0018384400000000 ] - [ -0.0000149400000000, 0.0000000000000000, -0.0012656900000000 ] - [ 0.0000710500000000, 0.0000000000000000, -0.0026797700000000 ] - [ 0.0041502900000000, 0.0000000000000000, 0.0004987500000000 ] - [ 0.0003135200000000, 0.0000000000000000, 0.1108766400000000 ] - [ 0.0000415700000000, 0.0000000000000000, -0.0016418100000000 ] - [ -0.0049175100000000, 0.0000000000000000, 0.0039355300000000 ] - [ -0.0046824400000000, 0.0000000000000000, -0.0011566500000000 ] - [ -0.0008281700000000, 0.0000000000000000, 0.0025258900000000 ] - [ 0.0002274000000000, 0.0000000000000000, -0.0010759400000000 ] - [ 0.0036634400000000, 0.0000000000000000, 0.0061275600000000 ] - [ 0.0001674400000000, 0.0003198900000000, 0.0015155600000000 ] - [ 0.0000289000000000, 0.0000000000000000, 0.0015567100000000 ] - [ 0.0001249300000000, -0.0003233800000000, 0.0015267100000000 ] - [ -0.0006800700000000, 0.0000000000000000, 0.0008804700000000 ] - [ -0.0002914700000000, -0.0002433800000000, 0.0009012700000000 ] - [ -0.0004008600000000, 0.0000000000000000, 0.0015440100000000 ] - [ -0.0002402900000000, 0.0000000000000000, 0.0017977100000000 ] - [ -0.0001063100000000, -0.0000554000000000, 0.0012909600000000 ] - [ -0.0014935100000000, 0.0000000000000000, 0.0009674700000000 ] - [ -0.0002914700000000, 0.0002433800000000, 0.0009012700000000 ] - [ -0.0002122000000000, 0.0000000000000000, 0.0009758600000000 ] - [ -0.0001063100000000, 0.0000554000000000, 0.0012909600000000 ] - [ -0.0003179100000000, -0.0004077800000000, -0.0031362200000000 ] - [ -0.0007776000000000, 0.0000000000000000, -0.0000097900000000 ] - [ 0.0001420200000000, 0.0000000000000000, 0.0011964600000000 ] - [ -0.0003179100000000, 0.0004077800000000, -0.0031362200000000 ] - [ -0.0010532300000000, 0.0007615400000000, 0.0025584300000000 ] - [ -0.0163697600000000, 0.0000000000000000, -0.2677386500000000 ] - [ -0.0211328100000000, 0.0000000000000000, 0.0174649500000000 ] - [ 0.0004946600000000, 0.0003981600000000, -0.0001485900000000 ] - [ 0.0029810600000000, 0.0044197500000000, 0.0050804800000000 ] - [ 0.0007447700000000, 0.0000000000000000, -0.0037599800000000 ] - [ 0.0035363000000000, 0.0000000000000000, -0.0036846500000000 ] - [ 0.0047132100000000, 0.0033640600000000, -0.0087092600000000 ] - [ -0.0011008200000000, 0.0000000000000000, 0.0014163200000000 ] - [ -0.0009313200000000, 0.0004761400000000, -0.0015028700000000 ] - [ 0.0047132100000000, -0.0033640600000000, -0.0087092600000000 ] - [ 0.0024260100000000, 0.0000000000000000, -0.0012364700000000 ] - [ 0.0002154700000000, 0.0001804200000000, 0.0018788400000000 ] - [ 0.0012395800000000, 0.0000000000000000, 0.0021146800000000 ] - [ 0.0021339800000000, 0.0000000000000000, -0.0001655900000000 ] - [ 0.0000033300000000, 0.0000000000000000, 0.0023552400000000 ] - [ 0.0005423900000000, 0.0001055300000000, 0.0013669000000000 ] - [ 0.0002154700000000, -0.0001804200000000, 0.0018788400000000 ] - [ 0.0001398400000000, 0.0000000000000000, 0.0019707400000000 ] - [ 0.0005423900000000, -0.0001055300000000, 0.0013669000000000 ] - [ -0.0002296500000000, 0.0000000000000000, 0.0017284200000000 ] - [ 0.0001634400000000, 0.0000000000000000, 0.0019999000000000 ] - [ 0.0000732100000000, -0.0001628200000000, 0.0018329200000000 ] - [ 0.0001237400000000, 0.0001812300000000, 0.0019257000000000 ] - [ 0.0001249300000000, 0.0003233800000000, 0.0015267100000000 ] - [ -0.0001813300000000, 0.0000000000000000, 0.0015451100000000 ] - [ 0.0001674400000000, -0.0003198900000000, 0.0015155600000000 ] - [ -0.0006405300000000, 0.0000000000000000, 0.0009341500000000 ] - [ 0.0004722400000000, -0.0001120200000000, 0.0013548200000000 ] - [ -0.0001480900000000, 0.0000000000000000, 0.0015361300000000 ] - [ -0.0001864800000000, 0.0000000000000000, 0.0018861100000000 ] - [ -0.0000329500000000, -0.0000833000000000, 0.0015250800000000 ] - [ 0.0000424600000000, 0.0000000000000000, 0.0025939800000000 ] - [ 0.0004722400000000, 0.0001120200000000, 0.0013548200000000 ] - [ -0.0002997300000000, 0.0000000000000000, 0.0018102700000000 ] - [ -0.0000329500000000, 0.0000833000000000, 0.0015250800000000 ] - [ 0.0111486400000000, 0.0197977400000000, 0.0235898000000000 ] - [ 0.0016173400000000, 0.0000000000000000, 0.0025581000000000 ] - [ 0.0000543600000000, 0.0000000000000000, 0.0022508600000000 ] - [ 0.0111486400000000, -0.0197977400000000, 0.0235898000000000 ] - [ 0.0004946600000000, -0.0003981600000000, -0.0001485900000000 ] - [ 0.0013309000000000, 0.0000000000000000, -0.0036714300000000 ] - [ 0.0024278900000000, 0.0000000000000000, -0.0033676000000000 ] - [ -0.0010532300000000, -0.0007615400000000, 0.0025584300000000 ] - [ -0.0009313200000000, -0.0004761400000000, -0.0015028700000000 ] - [ -0.0003181900000000, 0.0000000000000000, -0.0124624600000000 ] - [ -0.0030423500000000, 0.0000000000000000, -0.0057090500000000 ] - [ -0.0010947400000000, -0.0001750300000000, -0.0081985500000000 ] - [ 0.0014540600000000, 0.0000000000000000, 0.0033182700000000 ] - [ 0.0029810600000000, -0.0044197500000000, 0.0050804800000000 ] - [ -0.0010947400000000, 0.0001750300000000, -0.0081985500000000 ] - [ -0.0066983400000000, 0.0000000000000000, 0.0032262900000000 ] - [ -0.0001538800000000, 0.0001798500000000, 0.0017202800000000 ] - [ -0.0002436800000000, 0.0000000000000000, 0.0010088500000000 ] - [ -0.0019252700000000, 0.0000000000000000, -0.0002603700000000 ] - [ -0.0000877800000000, 0.0000000000000000, 0.0023403900000000 ] - [ -0.0006620900000000, 0.0003827800000000, 0.0023398500000000 ] - [ -0.0001538800000000, -0.0001798500000000, 0.0017202800000000 ] - [ -0.0000473400000000, 0.0000000000000000, 0.0023187800000000 ] - [ -0.0006620900000000, -0.0003827800000000, 0.0023398500000000 ] - [ -0.0003317600000000, 0.0000000000000000, 0.0017370200000000 ] - [ 0.0002399300000000, 0.0000000000000000, 0.0016376500000000 ] - [ 0.0001237400000000, -0.0001812300000000, 0.0019257000000000 ] - [ 0.0000732100000000, 0.0001628200000000, 0.0018329200000000 ]- atom: 74 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001425200000000, 0.0000000000000000, 0.0028158400000000 ] - [ -0.0000208200000000, 0.0000000000000000, 0.0017226800000000 ] - [ 0.0001707200000000, 0.0000361400000000, 0.0021999600000000 ] - [ 0.0004069000000000, 0.0000000000000000, 0.0016418900000000 ] - [ 0.0000210800000000, -0.0000344400000000, 0.0021243900000000 ] - [ -0.0003679300000000, 0.0003524100000000, 0.0014937300000000 ] - [ -0.0002146500000000, 0.0000000000000000, 0.0023309000000000 ] - [ -0.0003679300000000, -0.0003524100000000, 0.0014937300000000 ] - [ -0.0001041600000000, 0.0000000000000000, 0.0020891700000000 ] - [ -0.0012313300000000, 0.0000000000000000, 0.0086007700000000 ] - [ 0.0004577200000000, 0.0072305700000000, -0.0384534200000000 ] - [ 0.0006141600000000, 0.0000000000000000, -0.0002234700000000 ] - [ 0.0031553100000000, 0.0000000000000000, -0.0001964500000000 ] - [ -0.0036763800000000, 0.0000000000000000, -0.0068352800000000 ] - [ 0.0004577200000000, -0.0072305700000000, -0.0384534200000000 ] - [ -0.0096303100000000, 0.0000000000000000, -0.0369808300000000 ] - [ 0.0039041300000000, 0.0004192300000000, 0.0022433400000000 ] - [ -0.0000814800000000, 0.0000000000000000, 0.0026125100000000 ] - [ -0.0002233100000000, 0.0000970400000000, 0.0027786900000000 ] - [ 0.0009224300000000, 0.0000000000000000, 0.0029478400000000 ] - [ 0.0039041300000000, -0.0004192300000000, 0.0022433400000000 ] - [ 0.0000306800000000, -0.0000977000000000, 0.0026300100000000 ] - [ -0.0000356500000000, 0.0000000000000000, 0.0035828700000000 ] - [ 0.0000593700000000, 0.0000000000000000, 0.0025094600000000 ] - [ 0.0001328300000000, 0.0000000000000000, 0.0028608400000000 ] - [ -0.0001401000000000, 0.0000000000000000, 0.0018717600000000 ] - [ 0.0000210800000000, 0.0000344400000000, 0.0021243900000000 ] - [ -0.0007152300000000, 0.0000000000000000, 0.0019558100000000 ] - [ 0.0001707200000000, -0.0000361400000000, 0.0021999600000000 ] - [ 0.0002916600000000, 0.0003237600000000, 0.0037981800000000 ] - [ 0.0002255800000000, 0.0000000000000000, 0.0028145300000000 ] - [ 0.0002916600000000, -0.0003237600000000, 0.0037981800000000 ] - [ -0.0002896100000000, 0.0000000000000000, 0.0026598200000000 ] - [ 0.0006497400000000, 0.0000000000000000, -0.0016126200000000 ] - [ 0.0011982100000000, -0.0000355500000000, -0.0067085100000000 ] - [ -0.0031925100000000, 0.0000000000000000, 0.0038084300000000 ] - [ -0.0028595800000000, 0.0000000000000000, 0.0000657900000000 ] - [ 0.0041245300000000, 0.0000000000000000, -0.0064301000000000 ] - [ 0.0011982100000000, 0.0000355500000000, -0.0067085100000000 ] - [ 0.0008947100000000, 0.0000000000000000, -0.0092646200000000 ] - [ -0.0023317300000000, 0.0016766300000000, 0.0016318000000000 ] - [ -0.0002096100000000, 0.0000000000000000, 0.0024429500000000 ] - [ 0.0000306800000000, 0.0000977000000000, 0.0026300100000000 ] - [ -0.0004939200000000, 0.0000000000000000, 0.0032047300000000 ] - [ -0.0023317300000000, -0.0016766300000000, 0.0016318000000000 ] - [ -0.0002233100000000, -0.0000970400000000, 0.0027786900000000 ] - [ 0.0004082800000000, 0.0000000000000000, 0.0020241900000000 ] - [ -0.0000063200000000, 0.0000000000000000, 0.0024175700000000 ] - [ -0.0043040700000000, 0.0000000000000000, -0.0009356000000000 ] - [ -0.0004855100000000, 0.0000000000000000, -0.1046814400000000 ] - [ 0.0002213400000000, 0.0000000000000000, 0.0026583100000000 ] - [ 0.0048714800000000, 0.0000000000000000, -0.0044097700000000 ] - [ 0.0045100300000000, 0.0000000000000000, 0.0007165400000000 ] - [ 0.0008854100000000, 0.0000000000000000, -0.0024620300000000 ] - [ 0.0000375800000000, 0.0000000000000000, 0.0020965900000000 ] - [ -0.0036717800000000, 0.0000000000000000, -0.0065917800000000 ] - [ -0.0001825700000000, -0.0002451900000000, -0.0012921800000000 ] - [ -0.0002327200000000, 0.0000000000000000, -0.0020712100000000 ] - [ -0.0001398300000000, 0.0002487500000000, -0.0013032700000000 ] - [ -0.0000057500000000, 0.0000000000000000, -0.0018960800000000 ] - [ 0.0000298300000000, 0.0000160100000000, -0.0015650600000000 ] - [ 0.0000113700000000, 0.0000000000000000, -0.0015162800000000 ] - [ -0.0001996000000000, 0.0000000000000000, -0.0019177300000000 ] - [ -0.0000629300000000, 0.0000709300000000, -0.0016132100000000 ] - [ 0.0005901600000000, 0.0000000000000000, -0.0017075100000000 ] - [ 0.0000298300000000, -0.0000160100000000, -0.0015650600000000 ] - [ 0.0000472800000000, 0.0000000000000000, -0.0014279500000000 ] - [ -0.0000629300000000, -0.0000709300000000, -0.0016132100000000 ] - [ 0.0002662000000000, 0.0004934100000000, 0.0030258400000000 ] - [ 0.0011711900000000, 0.0000000000000000, -0.0001517100000000 ] - [ 0.0004348400000000, 0.0000000000000000, -0.0009736200000000 ] - [ 0.0002662000000000, -0.0004934100000000, 0.0030258400000000 ] - [ 0.0009543300000000, -0.0010557700000000, -0.0025070600000000 ] - [ 0.0172858300000000, 0.0000000000000000, 0.2640120700000000 ] - [ 0.0210566000000000, 0.0000000000000000, -0.0183238400000000 ] - [ -0.0006004200000000, -0.0001002200000000, 0.0001953000000000 ] - [ -0.0029906200000000, -0.0044519500000000, -0.0047292500000000 ] - [ -0.0004733300000000, 0.0000000000000000, 0.0032636800000000 ] - [ -0.0031954500000000, 0.0000000000000000, 0.0032540600000000 ] - [ -0.0049455800000000, -0.0034506900000000, 0.0076372400000000 ] - [ 0.0013095900000000, 0.0000000000000000, -0.0011020300000000 ] - [ 0.0008812900000000, -0.0003847200000000, 0.0017839300000000 ] - [ -0.0049455800000000, 0.0034506900000000, 0.0076372400000000 ] - [ -0.0027919000000000, 0.0000000000000000, 0.0008128100000000 ] - [ -0.0001734800000000, 0.0001445800000000, -0.0014690900000000 ] - [ -0.0004172600000000, 0.0000000000000000, -0.0018144800000000 ] - [ -0.0019875600000000, 0.0000000000000000, -0.0001145300000000 ] - [ -0.0000914600000000, 0.0000000000000000, -0.0016033300000000 ] - [ -0.0005501900000000, 0.0002664100000000, -0.0004571100000000 ] - [ -0.0001734800000000, -0.0001445800000000, -0.0014690900000000 ] - [ -0.0000050900000000, 0.0000000000000000, -0.0008595100000000 ] - [ -0.0005501900000000, -0.0002664100000000, -0.0004571100000000 ] - [ 0.0003422500000000, 0.0000000000000000, -0.0010459600000000 ] - [ 0.0002398400000000, 0.0000000000000000, -0.0019116400000000 ] - [ -0.0002112800000000, 0.0004094800000000, -0.0008628600000000 ] - [ -0.0002613200000000, -0.0004277200000000, -0.0009549000000000 ] - [ -0.0001398300000000, -0.0002487500000000, -0.0013032700000000 ] - [ -0.0000223000000000, 0.0000000000000000, -0.0020594600000000 ] - [ -0.0001825700000000, 0.0002451900000000, -0.0012921800000000 ] - [ -0.0000452100000000, 0.0000000000000000, -0.0019495100000000 ] - [ -0.0007342000000000, -0.0001157200000000, -0.0020198100000000 ] - [ -0.0002416200000000, 0.0000000000000000, -0.0015086000000000 ] - [ -0.0002527000000000, 0.0000000000000000, -0.0020061300000000 ] - [ -0.0001360700000000, 0.0000987700000000, -0.0018474600000000 ] - [ -0.0009446200000000, 0.0000000000000000, -0.0033442500000000 ] - [ -0.0007342000000000, 0.0001157200000000, -0.0020198100000000 ] - [ 0.0001370000000000, 0.0000000000000000, -0.0022631200000000 ] - [ -0.0001360700000000, -0.0000987700000000, -0.0018474600000000 ] - [ -0.0113871900000000, -0.0200783900000000, -0.0240847000000000 ] - [ -0.0012191800000000, 0.0000000000000000, -0.0027199700000000 ] - [ 0.0005235600000000, 0.0000000000000000, -0.0020279400000000 ] - [ -0.0113871900000000, 0.0200783900000000, -0.0240847000000000 ] - [ -0.0006004200000000, 0.0001002200000000, 0.0001953000000000 ] - [ -0.0014359200000000, 0.0000000000000000, 0.0037943900000000 ] - [ -0.0027994700000000, 0.0000000000000000, 0.0026904700000000 ] - [ 0.0009543300000000, 0.0010557700000000, -0.0025070600000000 ] - [ 0.0008812900000000, 0.0003847200000000, 0.0017839300000000 ] - [ 0.0005757500000000, 0.0000000000000000, 0.0119037000000000 ] - [ 0.0033837900000000, 0.0000000000000000, 0.0052855400000000 ] - [ 0.0009797900000000, 0.0001405300000000, 0.0071542100000000 ] - [ -0.0012225800000000, 0.0000000000000000, -0.0029878700000000 ] - [ -0.0029906200000000, 0.0044519500000000, -0.0047292500000000 ] - [ 0.0009797900000000, -0.0001405300000000, 0.0071542100000000 ] - [ 0.0062508400000000, 0.0000000000000000, -0.0035963200000000 ] - [ 0.0001926000000000, 0.0001451800000000, -0.0013117300000000 ] - [ 0.0010524900000000, 0.0000000000000000, -0.0007175600000000 ] - [ 0.0020366800000000, 0.0000000000000000, -0.0000195000000000 ] - [ -0.0000011400000000, 0.0000000000000000, -0.0015885400000000 ] - [ 0.0006448300000000, -0.0000080100000000, -0.0014204000000000 ] - [ 0.0001926000000000, -0.0001451800000000, -0.0013117300000000 ] - [ 0.0001806100000000, 0.0000000000000000, -0.0012043100000000 ] - [ 0.0006448300000000, 0.0000080100000000, -0.0014204000000000 ] - [ 0.0004433700000000, 0.0000000000000000, -0.0010542700000000 ] - [ 0.0001637600000000, 0.0000000000000000, -0.0015529100000000 ] - [ -0.0002613200000000, 0.0004277200000000, -0.0009549000000000 ] - [ -0.0002112800000000, -0.0004094800000000, -0.0008628600000000 ]- atom: 75 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0000840500000000, 0.0000000000000000, 0.0003911800000000 ] - [ -0.0002428100000000, 0.0000000000000000, -0.0001693900000000 ] - [ -0.0000905300000000, 0.0000608000000000, -0.0001110500000000 ] - [ -0.0015605000000000, 0.0000000000000000, -0.0003716100000000 ] - [ 0.0002358200000000, -0.0000439200000000, 0.0001110200000000 ] - [ -0.0012036800000000, 0.0016474200000000, 0.0024340900000000 ] - [ 0.0003005400000000, 0.0000000000000000, 0.0010952900000000 ] - [ -0.0012036800000000, -0.0016474200000000, 0.0024340900000000 ] - [ -0.0004355700000000, 0.0000000000000000, 0.0006039900000000 ] - [ 0.0312518700000000, 0.0000000000000000, 0.0037805500000000 ] - [ 0.0354032600000000, -0.0129735800000000, -0.0108840200000000 ] - [ -0.0006691800000000, 0.0000000000000000, -0.0005033700000000 ] - [ -0.0050934900000000, 0.0000000000000000, -0.0012986400000000 ] - [ -0.0033364000000000, 0.0000000000000000, 0.0003434300000000 ] - [ 0.0354032600000000, 0.0129735800000000, -0.0108840200000000 ] - [ -0.0102814500000000, 0.0000000000000000, 0.0061527100000000 ] - [ 0.0009405700000000, -0.0001444200000000, -0.0006711200000000 ] - [ -0.0000616900000000, 0.0000000000000000, 0.0002985900000000 ] - [ -0.0001163600000000, 0.0001114700000000, 0.0005523600000000 ] - [ 0.0003173800000000, 0.0000000000000000, 0.0003967500000000 ] - [ 0.0009405700000000, 0.0001444200000000, -0.0006711200000000 ] - [ -0.0000967500000000, -0.0001223500000000, 0.0004616900000000 ] - [ 0.0004527300000000, 0.0000000000000000, 0.0005770600000000 ] - [ 0.0000496700000000, 0.0000000000000000, -0.0001365400000000 ] - [ 0.0002047700000000, 0.0000000000000000, 0.0002720600000000 ] - [ 0.0001490200000000, 0.0000000000000000, -0.0005351900000000 ] - [ 0.0002358200000000, 0.0000439200000000, 0.0001110200000000 ] - [ 0.0013567200000000, 0.0000000000000000, -0.0006541000000000 ] - [ -0.0000905300000000, -0.0000608000000000, -0.0001110500000000 ] - [ -0.0002370400000000, -0.0000379200000000, -0.0023571900000000 ] - [ -0.0004978800000000, 0.0000000000000000, -0.0005826000000000 ] - [ -0.0002370400000000, 0.0000379200000000, -0.0023571900000000 ] - [ 0.0002314800000000, 0.0000000000000000, -0.0005252200000000 ] - [ -0.0051534500000000, 0.0000000000000000, 0.0043220700000000 ] - [ -0.0081057200000000, -0.0008593900000000, -0.0020868000000000 ] - [ 0.0005168700000000, 0.0000000000000000, 0.0002652100000000 ] - [ 0.0074918100000000, 0.0000000000000000, 0.0036763700000000 ] - [ 0.0058712200000000, 0.0000000000000000, -0.0027120400000000 ] - [ -0.0081057200000000, 0.0008593900000000, -0.0020868000000000 ] - [ 0.0007088600000000, 0.0000000000000000, -0.0036828500000000 ] - [ -0.0005996100000000, 0.0002901200000000, 0.0006157600000000 ] - [ -0.0001849200000000, 0.0000000000000000, 0.0003569000000000 ] - [ -0.0000967500000000, 0.0001223500000000, 0.0004616900000000 ] - [ 0.0001235400000000, 0.0000000000000000, 0.0007547400000000 ] - [ -0.0005996100000000, -0.0002901200000000, 0.0006157600000000 ] - [ -0.0001163600000000, -0.0001114700000000, 0.0005523600000000 ] - [ -0.0000961700000000, 0.0000000000000000, 0.0002581500000000 ] - [ 0.0000148700000000, 0.0000000000000000, -0.0000407800000000 ] - [ 0.0462209400000000, 0.0000000000000000, -0.0167375800000000 ] - [ 0.0015663300000000, 0.0000000000000000, 0.0029242900000000 ] - [ 0.0001996700000000, 0.0000000000000000, 0.0004996800000000 ] - [ -0.0017760100000000, 0.0000000000000000, -0.0065892600000000 ] - [ -0.0040227900000000, 0.0000000000000000, -0.0050018600000000 ] - [ -0.0012924100000000, 0.0000000000000000, -0.0009710000000000 ] - [ 0.0000620700000000, 0.0000000000000000, 0.0005944200000000 ] - [ -0.0013381100000000, 0.0000000000000000, 0.0023253100000000 ] - [ 0.0000665200000000, 0.0000232700000000, 0.0000746300000000 ] - [ 0.0002048400000000, 0.0000000000000000, -0.0002879000000000 ] - [ -0.0000905300000000, -0.0000363100000000, 0.0000963000000000 ] - [ -0.0003625100000000, 0.0000000000000000, -0.0005935100000000 ] - [ -0.0010762800000000, -0.0005466300000000, -0.0011509300000000 ] - [ -0.0004991600000000, 0.0000000000000000, -0.0000565600000000 ] - [ -0.0002567800000000, 0.0000000000000000, -0.0001761400000000 ] - [ -0.0001088600000000, 0.0000141200000000, -0.0004621300000000 ] - [ 0.0019054600000000, 0.0000000000000000, -0.0062389000000000 ] - [ -0.0010762800000000, 0.0005466300000000, -0.0011509300000000 ] - [ 0.0010890600000000, 0.0000000000000000, -0.0017372100000000 ] - [ -0.0001088600000000, -0.0000141200000000, -0.0004621300000000 ] - [ 0.0095188400000000, 0.0052845800000000, 0.0002400000000000 ] - [ -0.0006673900000000, 0.0000000000000000, -0.0020243000000000 ] - [ 0.0006382500000000, 0.0000000000000000, -0.0006723200000000 ] - [ 0.0095188400000000, -0.0052845800000000, 0.0002400000000000 ] - [ -0.0033242600000000, 0.0025322100000000, 0.0031274500000000 ] - [ 0.0068255700000000, 0.0000000000000000, -0.0221497300000000 ] - [ -0.2008654000000000, 0.0000000000000000, 0.0420672700000000 ] - [ 0.0024685800000000, 0.0004168900000000, -0.0004031000000000 ] - [ -0.0014804900000000, -0.0003824100000000, -0.0001410900000000 ] - [ 0.0037077600000000, 0.0000000000000000, 0.0012143500000000 ] - [ 0.0060808800000000, 0.0000000000000000, 0.0000027000000000 ] - [ -0.0029098700000000, 0.0049599100000000, 0.0074749500000000 ] - [ 0.0004824200000000, 0.0000000000000000, -0.0000548300000000 ] - [ 0.0009463600000000, -0.0000210400000000, 0.0002367800000000 ] - [ -0.0029098700000000, -0.0049599100000000, 0.0074749500000000 ] - [ -0.0003487600000000, 0.0000000000000000, 0.0017035200000000 ] - [ -0.0000138500000000, 0.0001657400000000, 0.0002253600000000 ] - [ 0.0001027900000000, 0.0000000000000000, 0.0002159400000000 ] - [ 0.0000487600000000, 0.0000000000000000, 0.0008120100000000 ] - [ -0.0000577800000000, 0.0000000000000000, 0.0003750300000000 ] - [ 0.0001655700000000, 0.0002003300000000, 0.0007420400000000 ] - [ -0.0000138500000000, -0.0001657400000000, 0.0002253600000000 ] - [ 0.0000940800000000, 0.0000000000000000, 0.0005908500000000 ] - [ 0.0001655700000000, -0.0002003300000000, 0.0007420400000000 ] - [ 0.0000436900000000, 0.0000000000000000, 0.0003425800000000 ] - [ 0.0001566400000000, 0.0000000000000000, -0.0000341900000000 ] - [ -0.0000586100000000, 0.0001308600000000, 0.0004580500000000 ] - [ -0.0000838500000000, -0.0001256400000000, 0.0004657600000000 ] - [ -0.0000905300000000, 0.0000363100000000, 0.0000963000000000 ] - [ -0.0003992000000000, 0.0000000000000000, -0.0003732800000000 ] - [ 0.0000665200000000, -0.0000232700000000, 0.0000746300000000 ] - [ -0.0003040700000000, 0.0000000000000000, -0.0004749400000000 ] - [ 0.0006147200000000, 0.0000079900000000, 0.0003256000000000 ] - [ 0.0000971700000000, 0.0000000000000000, 0.0000491800000000 ] - [ -0.0001818000000000, 0.0000000000000000, 0.0000006800000000 ] - [ -0.0000544200000000, -0.0000066800000000, 0.0001145900000000 ] - [ -0.0000924000000000, 0.0000000000000000, 0.0016781000000000 ] - [ 0.0006147200000000, -0.0000079900000000, 0.0003256000000000 ] - [ -0.0003837600000000, 0.0000000000000000, 0.0008861100000000 ] - [ -0.0000544200000000, 0.0000066800000000, 0.0001145900000000 ] - [ 0.0256223300000000, 0.0170784400000000, -0.0011275800000000 ] - [ 0.0021024200000000, 0.0000000000000000, 0.0028965200000000 ] - [ -0.0000013700000000, 0.0000000000000000, 0.0011681900000000 ] - [ 0.0256223300000000, -0.0170784400000000, -0.0011275800000000 ] - [ 0.0024685800000000, -0.0004168900000000, -0.0004031000000000 ] - [ 0.0030513300000000, 0.0000000000000000, 0.0022692800000000 ] - [ 0.0079997500000000, 0.0000000000000000, 0.0000371700000000 ] - [ -0.0033242600000000, -0.0025322100000000, 0.0031274500000000 ] - [ 0.0009463600000000, 0.0000210400000000, 0.0002367800000000 ] - [ -0.0047157400000000, 0.0000000000000000, -0.0026203600000000 ] - [ -0.0081753600000000, 0.0000000000000000, -0.0001805700000000 ] - [ 0.0037473400000000, 0.0001698600000000, -0.0021316800000000 ] - [ -0.0003059300000000, 0.0000000000000000, 0.0001837500000000 ] - [ -0.0014804900000000, 0.0003824100000000, -0.0001410900000000 ] - [ 0.0037473400000000, -0.0001698600000000, -0.0021316800000000 ] - [ 0.0006831500000000, 0.0000000000000000, -0.0016151000000000 ] - [ 0.0000497800000000, 0.0001580200000000, 0.0001267800000000 ] - [ 0.0006757500000000, 0.0000000000000000, 0.0000153300000000 ] - [ 0.0001967000000000, 0.0000000000000000, -0.0008223300000000 ] - [ -0.0000310700000000, 0.0000000000000000, 0.0003086300000000 ] - [ -0.0001500500000000, 0.0001726700000000, 0.0001854900000000 ] - [ 0.0000497800000000, -0.0001580200000000, 0.0001267800000000 ] - [ 0.0000427100000000, 0.0000000000000000, 0.0004748200000000 ] - [ -0.0001500500000000, -0.0001726700000000, 0.0001854900000000 ] - [ 0.0000798800000000, 0.0000000000000000, 0.0002918300000000 ] - [ 0.0002499700000000, 0.0000000000000000, 0.0000675600000000 ] - [ -0.0000838500000000, 0.0001256400000000, 0.0004657600000000 ] - [ -0.0000586100000000, -0.0001308600000000, 0.0004580500000000 ]- atom: 75 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0002049700000000, 0.0000000000000000, 0.0002044300000000 ] - [ 0.0001183700000000, 0.0000000000000000, -0.0006047300000000 ] - [ 0.0002492500000000, 0.0000183100000000, 0.0000410100000000 ] - [ 0.0013282300000000, 0.0000000000000000, -0.0003352400000000 ] - [ -0.0000748400000000, -0.0000351000000000, -0.0001808800000000 ] - [ 0.0011684700000000, -0.0016350200000000, -0.0024047900000000 ] - [ -0.0004959500000000, 0.0000000000000000, -0.0009246300000000 ] - [ 0.0011684700000000, 0.0016350200000000, -0.0024047900000000 ] - [ 0.0002380200000000, 0.0000000000000000, -0.0004765600000000 ] - [ -0.0327254600000000, 0.0000000000000000, -0.0054165700000000 ] - [ -0.0352002600000000, 0.0133026500000000, 0.0104402400000000 ] - [ 0.0007679500000000, 0.0000000000000000, 0.0000831300000000 ] - [ 0.0056869300000000, 0.0000000000000000, 0.0010862300000000 ] - [ 0.0033851700000000, 0.0000000000000000, -0.0010146400000000 ] - [ -0.0352002600000000, -0.0133026500000000, 0.0104402400000000 ] - [ 0.0109475100000000, 0.0000000000000000, -0.0065331400000000 ] - [ -0.0008217700000000, 0.0002310700000000, 0.0006835400000000 ] - [ -0.0001810200000000, 0.0000000000000000, 0.0002919900000000 ] - [ -0.0001010200000000, 0.0001229800000000, 0.0003988600000000 ] - [ 0.0000975100000000, 0.0000000000000000, 0.0006982800000000 ] - [ -0.0008217700000000, -0.0002310700000000, 0.0006835400000000 ] - [ -0.0001200300000000, -0.0001121100000000, 0.0004895800000000 ] - [ -0.0000598900000000, 0.0000000000000000, 0.0001848800000000 ] - [ 0.0000147100000000, 0.0000000000000000, -0.0001126400000000 ] - [ 0.0000844500000000, 0.0000000000000000, 0.0003228700000000 ] - [ -0.0002723800000000, 0.0000000000000000, -0.0002408100000000 ] - [ -0.0000748400000000, 0.0000351000000000, -0.0001808800000000 ] - [ -0.0015765800000000, 0.0000000000000000, -0.0000602800000000 ] - [ 0.0002492500000000, -0.0000183100000000, 0.0000410100000000 ] - [ 0.0001750000000000, 0.0000420300000000, 0.0023639400000000 ] - [ 0.0002942400000000, 0.0000000000000000, 0.0007486700000000 ] - [ 0.0001750000000000, -0.0000420300000000, 0.0023639400000000 ] - [ -0.0004279700000000, 0.0000000000000000, 0.0006458200000000 ] - [ 0.0051413600000000, 0.0000000000000000, -0.0043359300000000 ] - [ 0.0082866700000000, 0.0007095100000000, 0.0013141400000000 ] - [ -0.0004290800000000, 0.0000000000000000, -0.0006790800000000 ] - [ -0.0068398800000000, 0.0000000000000000, -0.0039205400000000 ] - [ -0.0058324600000000, 0.0000000000000000, 0.0020802800000000 ] - [ 0.0082866700000000, -0.0007095100000000, 0.0013141400000000 ] - [ 0.0000805900000000, 0.0000000000000000, 0.0032975100000000 ] - [ 0.0007138600000000, -0.0002054900000000, -0.0006102900000000 ] - [ -0.0000574700000000, 0.0000000000000000, 0.0002333100000000 ] - [ -0.0001200300000000, 0.0001121100000000, 0.0004895800000000 ] - [ 0.0002895800000000, 0.0000000000000000, 0.0003393100000000 ] - [ 0.0007138600000000, 0.0002054900000000, -0.0006102900000000 ] - [ -0.0001010200000000, -0.0001229800000000, 0.0003988600000000 ] - [ 0.0004923100000000, 0.0000000000000000, 0.0005027000000000 ] - [ 0.0000496900000000, 0.0000000000000000, -0.0002078900000000 ] - [ -0.0436313300000000, 0.0000000000000000, 0.0148082700000000 ] - [ -0.0015140100000000, 0.0000000000000000, -0.0028632900000000 ] - [ 0.0000641600000000, 0.0000000000000000, 0.0005267900000000 ] - [ 0.0017788100000000, 0.0000000000000000, 0.0060245100000000 ] - [ 0.0038348300000000, 0.0000000000000000, 0.0045982400000000 ] - [ 0.0013597100000000, 0.0000000000000000, 0.0009994700000000 ] - [ 0.0002020900000000, 0.0000000000000000, 0.0004306200000000 ] - [ 0.0013034700000000, 0.0000000000000000, -0.0028609800000000 ] - [ -0.0000818900000000, 0.0000501100000000, 0.0001410300000000 ] - [ -0.0004075100000000, 0.0000000000000000, -0.0002348600000000 ] - [ 0.0000746700000000, -0.0000370500000000, 0.0001197900000000 ] - [ -0.0003220800000000, 0.0000000000000000, -0.0004296500000000 ] - [ 0.0008089700000000, 0.0003174600000000, 0.0004774300000000 ] - [ 0.0001085700000000, 0.0000000000000000, 0.0000769000000000 ] - [ -0.0001828900000000, 0.0000000000000000, 0.0000447600000000 ] - [ -0.0000607500000000, 0.0000016700000000, 0.0001311100000000 ] - [ -0.0028072600000000, 0.0000000000000000, 0.0054618800000000 ] - [ 0.0008089700000000, -0.0003174600000000, 0.0004774300000000 ] - [ -0.0012520700000000, 0.0000000000000000, 0.0012732400000000 ] - [ -0.0000607500000000, -0.0000016700000000, 0.0001311100000000 ] - [ -0.0094933200000000, -0.0051331100000000, -0.0003545200000000 ] - [ 0.0010466800000000, 0.0000000000000000, 0.0018498000000000 ] - [ -0.0000606300000000, 0.0000000000000000, 0.0008822300000000 ] - [ -0.0094933200000000, 0.0051331100000000, -0.0003545200000000 ] - [ 0.0032478800000000, -0.0028154300000000, -0.0030486700000000 ] - [ -0.0068685700000000, 0.0000000000000000, 0.0224468600000000 ] - [ 0.1998511800000000, 0.0000000000000000, -0.0404187600000000 ] - [ -0.0025695400000000, -0.0001174800000000, 0.0004346800000000 ] - [ 0.0014405500000000, 0.0002943600000000, 0.0004369400000000 ] - [ -0.0034385600000000, 0.0000000000000000, -0.0016802200000000 ] - [ -0.0057307500000000, 0.0000000000000000, -0.0004367300000000 ] - [ 0.0026779200000000, -0.0050284200000000, -0.0085027900000000 ] - [ -0.0002633500000000, 0.0000000000000000, 0.0003667500000000 ] - [ -0.0009891100000000, 0.0001092400000000, 0.0000700700000000 ] - [ 0.0026779200000000, 0.0050284200000000, -0.0085027900000000 ] - [ -0.0000424200000000, 0.0000000000000000, -0.0021098200000000 ] - [ 0.0000542100000000, 0.0001594300000000, 0.0001760900000000 ] - [ 0.0007111600000000, 0.0000000000000000, 0.0000730000000000 ] - [ 0.0000747400000000, 0.0000000000000000, -0.0010853300000000 ] - [ -0.0000306600000000, 0.0000000000000000, 0.0003680100000000 ] - [ -0.0001788900000000, 0.0001722300000000, 0.0001670600000000 ] - [ 0.0000542100000000, -0.0001594300000000, 0.0001760900000000 ] - [ 0.0000395200000000, 0.0000000000000000, 0.0005147900000000 ] - [ -0.0001788900000000, -0.0001722300000000, 0.0001670600000000 ] - [ 0.0000710700000000, 0.0000000000000000, 0.0003325600000000 ] - [ 0.0002472700000000, 0.0000000000000000, 0.0001123200000000 ] - [ -0.0000803600000000, 0.0001178800000000, 0.0005053800000000 ] - [ -0.0000548300000000, -0.0001230000000000, 0.0004976600000000 ] - [ 0.0000746700000000, 0.0000370500000000, 0.0001197900000000 ] - [ 0.0001940100000000, 0.0000000000000000, -0.0001486800000000 ] - [ -0.0000818900000000, -0.0000501100000000, 0.0001410300000000 ] - [ -0.0003798900000000, 0.0000000000000000, -0.0005478200000000 ] - [ -0.0008722700000000, -0.0002337000000000, -0.0009969400000000 ] - [ -0.0004850700000000, 0.0000000000000000, -0.0000296700000000 ] - [ -0.0002570700000000, 0.0000000000000000, -0.0001311800000000 ] - [ -0.0001135800000000, 0.0000222500000000, -0.0004430200000000 ] - [ -0.0007916800000000, 0.0000000000000000, -0.0024327300000000 ] - [ -0.0008722700000000, 0.0002337000000000, -0.0009969400000000 ] - [ 0.0002242400000000, 0.0000000000000000, -0.0013373200000000 ] - [ -0.0001135800000000, -0.0000222500000000, -0.0004430200000000 ] - [ -0.0260881300000000, -0.0173361100000000, 0.0010362300000000 ] - [ -0.0016938600000000, 0.0000000000000000, -0.0030728700000000 ] - [ 0.0005820100000000, 0.0000000000000000, -0.0009468800000000 ] - [ -0.0260881300000000, 0.0173361100000000, 0.0010362300000000 ] - [ -0.0025695400000000, 0.0001174800000000, 0.0004346800000000 ] - [ -0.0031637400000000, 0.0000000000000000, -0.0021159500000000 ] - [ -0.0083599500000000, 0.0000000000000000, -0.0007178800000000 ] - [ 0.0032478800000000, 0.0028154300000000, -0.0030486700000000 ] - [ -0.0009891100000000, -0.0001092400000000, 0.0000700700000000 ] - [ 0.0050005000000000, 0.0000000000000000, 0.0021350300000000 ] - [ 0.0084757600000000, 0.0000000000000000, -0.0002406800000000 ] - [ -0.0039112100000000, -0.0002259800000000, 0.0011311500000000 ] - [ 0.0005246900000000, 0.0000000000000000, 0.0001236900000000 ] - [ 0.0014405500000000, -0.0002943600000000, 0.0004369400000000 ] - [ -0.0039112100000000, 0.0002259800000000, 0.0011311500000000 ] - [ -0.0010651500000000, 0.0000000000000000, 0.0012192600000000 ] - [ -0.0000090100000000, 0.0001672700000000, 0.0002752200000000 ] - [ 0.0001389800000000, 0.0000000000000000, 0.0002765400000000 ] - [ -0.0000644300000000, 0.0000000000000000, 0.0005525600000000 ] - [ -0.0000571700000000, 0.0000000000000000, 0.0004342700000000 ] - [ 0.0001402800000000, 0.0002000000000000, 0.0007243100000000 ] - [ -0.0000090100000000, -0.0001672700000000, 0.0002752200000000 ] - [ 0.0000914100000000, 0.0000000000000000, 0.0006307000000000 ] - [ 0.0001402800000000, -0.0002000000000000, 0.0007243100000000 ] - [ 0.0000347300000000, 0.0000000000000000, 0.0003838000000000 ] - [ 0.0001533000000000, 0.0000000000000000, 0.0000105200000000 ] - [ -0.0000548300000000, 0.0001230000000000, 0.0004976600000000 ] - [ -0.0000803600000000, -0.0001178800000000, 0.0005053800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001444800000000, -0.0000039100000000, 0.0002958500000000 ] - [ -0.0000621100000000, 0.0000180000000000, -0.0003897300000000 ] - [ 0.0000919100000000, 0.0000389300000000, -0.0000291400000000 ] - [ -0.0001131100000000, 0.0000034700000000, -0.0003560300000000 ] - [ 0.0000694100000000, -0.0000390000000000, -0.0000491200000000 ] - [ 0.0001539100000000, -0.0000219200000000, -0.0001586900000000 ] - [ -0.0000998900000000, 0.0001738100000000, 0.0000809300000000 ] - [ -0.0001900600000000, -0.0000127300000000, 0.0001752100000000 ] - [ -0.0000983400000000, -0.0000346000000000, 0.0000613400000000 ] - [ 0.0000201200000000, 0.0225867200000000, 0.0000224000000000 ] - [ -0.0139236700000000, 0.0352272300000000, 0.0154956900000000 ] - [ 0.0000445400000000, 0.0000376000000000, -0.0002102000000000 ] - [ 0.0003002500000000, 0.0006342500000000, -0.0001093100000000 ] - [ 0.0000222500000000, 0.0004741400000000, -0.0003285600000000 ] - [ 0.0129260800000000, 0.0332824500000000, -0.0144334200000000 ] - [ 0.0003325500000000, 0.0078538200000000, -0.0001714400000000 ] - [ 0.0001819400000000, 0.0000351100000000, 0.0002445600000000 ] - [ -0.0001213200000000, -0.0000017800000000, 0.0002929800000000 ] - [ -0.0001094300000000, 0.0001177100000000, 0.0004728200000000 ] - [ 0.0002071800000000, -0.0000123400000000, 0.0005447800000000 ] - [ -0.0000616500000000, -0.0000487200000000, -0.0002431600000000 ] - [ -0.0001079200000000, -0.0001164800000000, 0.0004744400000000 ] - [ 0.0001978800000000, 0.0000320200000000, 0.0003791400000000 ] - [ 0.0000322400000000, -0.0000012100000000, -0.0001274600000000 ] - [ 0.0001444900000000, -0.0000033800000000, 0.0002956800000000 ] - [ -0.0000620400000000, 0.0000206500000000, -0.0003896700000000 ] - [ 0.0000904200000000, 0.0000398300000000, -0.0000254100000000 ] - [ -0.0001130800000000, -0.0004237500000000, -0.0003560300000000 ] - [ 0.0000679600000000, -0.0000400100000000, -0.0000452800000000 ] - [ 0.0025578800000000, 0.0002804600000000, 0.0018755100000000 ] - [ -0.0000998000000000, 0.0000562700000000, 0.0000817600000000 ] - [ -0.0025989100000000, 0.0002748800000000, -0.0018693600000000 ] - [ -0.0000984400000000, -0.0000606600000000, 0.0000608300000000 ] - [ -0.0000109100000000, -0.0020588500000000, -0.0000174400000000 ] - [ 0.0008027500000000, 0.0000980900000000, 0.0004364500000000 ] - [ 0.0000477800000000, -0.0002229800000000, -0.0002097700000000 ] - [ 0.0003206900000000, -0.0102464200000000, -0.0000437100000000 ] - [ 0.0000330500000000, -0.0039645800000000, -0.0003385200000000 ] - [ -0.0006202600000000, 0.0002459200000000, -0.0011781600000000 ] - [ 0.0003117100000000, -0.0077252700000000, -0.0001888600000000 ] - [ 0.0000440900000000, 0.0000432300000000, -0.0000253900000000 ] - [ -0.0001216200000000, -0.0000016500000000, 0.0002930900000000 ] - [ -0.0001091300000000, 0.0001178100000000, 0.0004722500000000 ] - [ 0.0002070000000000, -0.0000180600000000, 0.0005455900000000 ] - [ 0.0000706900000000, -0.0000438500000000, 0.0000336300000000 ] - [ -0.0001073800000000, -0.0001164800000000, 0.0004741900000000 ] - [ 0.0001963700000000, 0.0000123900000000, 0.0003786400000000 ] - [ 0.0000321600000000, 0.0000000800000000, -0.0001273300000000 ] - [ -0.0002299600000000, 0.0077538700000000, -0.0001263000000000 ] - [ 0.0000339600000000, 0.0001577800000000, 0.0000273100000000 ] - [ 0.0001321100000000, -0.0000017700000000, 0.0005112900000000 ] - [ -0.0000119000000000, 0.0030802000000000, -0.0002617400000000 ] - [ -0.0000835100000000, -0.0050759500000000, -0.0002144400000000 ] - [ 0.0000254800000000, -0.0003516100000000, 0.0000151600000000 ] - [ 0.0001318500000000, -0.0000029000000000, 0.0005117100000000 ] - [ -0.0000094600000000, -0.0005752000000000, -0.0002594900000000 ] - [ -0.0000109900000000, 0.0000377600000000, 0.0001133200000000 ] - [ -0.0001019000000000, 0.0000021100000000, -0.0002589000000000 ] - [ -0.0000060400000000, -0.0000361200000000, 0.0001065700000000 ] - [ -0.0003422700000000, 0.0000039600000000, -0.0005095500000000 ] - [ -0.0003334700000000, -0.0001781100000000, -0.0001740200000000 ] - [ -0.0001949100000000, -0.0000161500000000, 0.0000120400000000 ] - [ -0.0002196700000000, -0.0000036500000000, -0.0000630800000000 ] - [ -0.0001048900000000, 0.0000009000000000, -0.0001257800000000 ] - [ -0.0004646000000000, -0.0016714300000000, -0.0003608300000000 ] - [ 0.0000695200000000, 0.0000472700000000, -0.0004935000000000 ] - [ -0.0000837800000000, -0.0000127500000000, -0.0002259400000000 ] - [ -0.0000642200000000, -0.0000146100000000, -0.0002001100000000 ] - [ 0.0048516400000000, 0.0023557100000000, 0.0000839300000000 ] - [ 0.0002024700000000, 0.0010583400000000, -0.0000951200000000 ] - [ 0.0002902700000000, 0.0000495100000000, 0.0001053500000000 ] - [ -0.0048491300000000, 0.0022803000000000, -0.0002024000000000 ] - [ 0.0047545100000000, 0.0039204100000000, 0.0095939200000000 ] - [ 0.0000006000000000, -0.0065598200000000, -0.0000131300000000 ] - [ 0.0012191900000000, -0.1521937200000000, -0.0023013900000000 ] - [ -0.0001296700000000, 0.0000705300000000, 0.0003763600000000 ] - [ -0.0003345900000000, 0.0000400400000000, 0.0005200400000000 ] - [ 0.0001366900000000, -0.0006805600000000, -0.0002420000000000 ] - [ 0.0001722900000000, -0.0017762700000000, -0.0002212400000000 ] - [ 0.0023615700000000, 0.0059829100000000, 0.0078708900000000 ] - [ 0.0001101200000000, -0.0000166000000000, 0.0001561500000000 ] - [ -0.0000559800000000, 0.0000252000000000, 0.0002425800000000 ] - [ -0.0025118100000000, 0.0060431700000000, -0.0087994100000000 ] - [ -0.0001925500000000, 0.0009181400000000, -0.0001933400000000 ] - [ 0.0000197800000000, 0.0001629200000000, 0.0002049300000000 ] - [ 0.0004062200000000, -0.0000227500000000, 0.0001468200000000 ] - [ 0.0000645700000000, -0.0002926200000000, -0.0001321400000000 ] - [ -0.0000441800000000, 0.0000005700000000, 0.0003736300000000 ] - [ 0.0000220100000000, 0.0001931300000000, 0.0004903700000000 ] - [ 0.0000203100000000, -0.0001617400000000, 0.0002001000000000 ] - [ 0.0000673400000000, 0.0000036100000000, 0.0005543900000000 ] - [ -0.0000320400000000, -0.0001790600000000, 0.0004234600000000 ] - [ 0.0000568800000000, 0.0000001000000000, 0.0003396300000000 ] - [ 0.0002016300000000, -0.0000021600000000, 0.0000407900000000 ] - [ -0.0000694100000000, 0.0001241200000000, 0.0004842800000000 ] - [ -0.0000691900000000, -0.0001239100000000, 0.0004828400000000 ] - [ -0.0000094500000000, 0.0000375300000000, 0.0001133300000000 ] - [ -0.0001018000000000, 0.0000100100000000, -0.0002590500000000 ] - [ -0.0000045400000000, -0.0000359800000000, 0.0001064400000000 ] - [ -0.0003423200000000, 0.0000070200000000, -0.0005095500000000 ] - [ -0.0001071200000000, -0.0001062500000000, -0.0003199800000000 ] - [ -0.0001947500000000, -0.0000032500000000, 0.0000119200000000 ] - [ -0.0002196000000000, -0.0000062400000000, -0.0000629900000000 ] - [ -0.0000623700000000, 0.0000041200000000, -0.0001128300000000 ] - [ -0.0004513300000000, 0.0018052900000000, -0.0003715800000000 ] - [ -0.0001567300000000, 0.0001213700000000, -0.0003473200000000 ] - [ -0.0000811700000000, 0.0008090900000000, -0.0002284200000000 ] - [ -0.0001066400000000, -0.0000111600000000, -0.0002130400000000 ] - [ 0.0205613300000000, 0.0050658200000000, -0.0017106300000000 ] - [ 0.0002006400000000, -0.0015567000000000, -0.0000822700000000 ] - [ 0.0002893400000000, -0.0007893100000000, 0.0001065200000000 ] - [ -0.0207449100000000, 0.0049213200000000, 0.0016022100000000 ] - [ 0.0000264900000000, -0.0002329600000000, -0.0003432400000000 ] - [ -0.0000464200000000, 0.0012315900000000, 0.0000632100000000 ] - [ -0.0001751700000000, 0.0019685600000000, -0.0003455500000000 ] - [ -0.0048951100000000, 0.0041835900000000, -0.0096179800000000 ] - [ 0.0000167400000000, -0.0000631600000000, 0.0000583500000000 ] - [ 0.0001182100000000, 0.0027450000000000, -0.0002301700000000 ] - [ 0.0001820600000000, 0.0394331900000000, -0.0002118600000000 ] - [ 0.0005111800000000, -0.0003163300000000, -0.0015006100000000 ] - [ 0.0001083800000000, 0.0000426000000000, 0.0001572500000000 ] - [ 0.0002856200000000, 0.0001325900000000, -0.0002174300000000 ] - [ -0.0006764800000000, -0.0002574600000000, 0.0004850100000000 ] - [ -0.0001898500000000, -0.0000624700000000, -0.0002028300000000 ] - [ 0.0000180100000000, 0.0001634900000000, 0.0002054900000000 ] - [ 0.0004071600000000, 0.0000092400000000, 0.0001462400000000 ] - [ 0.0000636400000000, 0.0000550200000000, -0.0001350900000000 ] - [ -0.0000441800000000, 0.0000007000000000, 0.0003734300000000 ] - [ -0.0000389900000000, 0.0001889100000000, 0.0004875300000000 ] - [ 0.0000222200000000, -0.0001611600000000, 0.0001989100000000 ] - [ 0.0000670500000000, 0.0000029500000000, 0.0005541500000000 ] - [ 0.0000268700000000, -0.0001829300000000, 0.0004240000000000 ] - [ 0.0000567000000000, -0.0000003600000000, 0.0003397700000000 ] - [ 0.0002018700000000, -0.0000024600000000, 0.0000408200000000 ] - [ -0.0000692600000000, 0.0001237000000000, 0.0004844100000000 ] - [ -0.0000689300000000, -0.0001239300000000, 0.0004828400000000 ]- atom: 75 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001710600000000, 0.0000000000000000, -0.0020925300000000 ] - [ -0.0000392500000000, 0.0000000000000000, -0.0023730000000000 ] - [ -0.0001278400000000, 0.0000280800000000, -0.0020886000000000 ] - [ -0.0004198900000000, 0.0000000000000000, -0.0015925400000000 ] - [ 0.0002295100000000, -0.0000275800000000, -0.0021905200000000 ] - [ 0.0022567700000000, -0.0017374300000000, -0.0006202400000000 ] - [ 0.0003970400000000, 0.0000000000000000, -0.0023956800000000 ] - [ 0.0022567700000000, 0.0017374300000000, -0.0006202400000000 ] - [ 0.0001328100000000, 0.0000000000000000, -0.0015808200000000 ] - [ 0.0028589700000000, 0.0000000000000000, 0.0294292700000000 ] - [ -0.0036103800000000, 0.0118065500000000, 0.0380465600000000 ] - [ -0.0008153200000000, 0.0000000000000000, -0.0016534100000000 ] - [ -0.0012909700000000, 0.0000000000000000, 0.0041976700000000 ] - [ 0.0006292500000000, 0.0000000000000000, 0.0002588800000000 ] - [ -0.0036103800000000, -0.0118065500000000, 0.0380465600000000 ] - [ 0.0049674300000000, 0.0000000000000000, 0.0115729100000000 ] - [ -0.0002492400000000, -0.0004861400000000, -0.0028681400000000 ] - [ -0.0000872300000000, 0.0000000000000000, -0.0019000400000000 ] - [ -0.0000691700000000, 0.0001235400000000, -0.0016529400000000 ] - [ 0.0000904200000000, 0.0000000000000000, -0.0020714300000000 ] - [ -0.0002492400000000, 0.0004861400000000, -0.0028681400000000 ] - [ -0.0001518200000000, -0.0001312700000000, -0.0016929200000000 ] - [ 0.0004758000000000, 0.0000000000000000, -0.0020006500000000 ] - [ 0.0000301000000000, 0.0000000000000000, -0.0026423500000000 ] - [ 0.0001425800000000, 0.0000000000000000, -0.0022012300000000 ] - [ -0.0000394800000000, 0.0000000000000000, -0.0026552700000000 ] - [ 0.0002295100000000, 0.0000275800000000, -0.0021905200000000 ] - [ 0.0010154900000000, 0.0000000000000000, -0.0033947100000000 ] - [ -0.0001278400000000, -0.0000280800000000, -0.0020886000000000 ] - [ -0.0051996100000000, -0.0011503200000000, -0.0035308800000000 ] - [ -0.0012746600000000, 0.0000000000000000, -0.0022198200000000 ] - [ -0.0051996100000000, 0.0011503200000000, -0.0035308800000000 ] - [ -0.0001058700000000, 0.0000000000000000, -0.0027236900000000 ] - [ 0.0003423400000000, 0.0000000000000000, 0.0067754200000000 ] - [ -0.0012046000000000, -0.0001494800000000, 0.0047888000000000 ] - [ 0.0013287300000000, 0.0000000000000000, -0.0026042300000000 ] - [ 0.0066180900000000, 0.0000000000000000, 0.0069274800000000 ] - [ 0.0042835500000000, 0.0000000000000000, -0.0052565600000000 ] - [ -0.0012046000000000, 0.0001494800000000, 0.0047888000000000 ] - [ -0.0037068300000000, 0.0000000000000000, 0.0110008000000000 ] - [ 0.0004424000000000, -0.0002852500000000, -0.0014846300000000 ] - [ -0.0001396800000000, 0.0000000000000000, -0.0018090700000000 ] - [ -0.0001518200000000, 0.0001312700000000, -0.0016929200000000 ] - [ 0.0003870500000000, 0.0000000000000000, -0.0018452200000000 ] - [ 0.0004424000000000, 0.0002852500000000, -0.0014846300000000 ] - [ -0.0000691700000000, -0.0001235400000000, -0.0016529400000000 ] - [ -0.0001710800000000, 0.0000000000000000, -0.0017860500000000 ] - [ 0.0000443100000000, 0.0000000000000000, -0.0025881100000000 ] - [ -0.0105552000000000, 0.0000000000000000, 0.0182416600000000 ] - [ 0.0008706700000000, 0.0000000000000000, -0.0042543000000000 ] - [ 0.0001546900000000, 0.0000000000000000, -0.0013383900000000 ] - [ -0.0060133800000000, 0.0000000000000000, -0.0047143100000000 ] - [ -0.0025230600000000, 0.0000000000000000, 0.0039023700000000 ] - [ -0.0017817300000000, 0.0000000000000000, -0.0003750900000000 ] - [ 0.0000990400000000, 0.0000000000000000, -0.0010719800000000 ] - [ 0.0017232100000000, 0.0000000000000000, 0.0011852400000000 ] - [ 0.0001378500000000, 0.0003021200000000, 0.0014127400000000 ] - [ -0.0000208000000000, 0.0000000000000000, 0.0013290100000000 ] - [ 0.0001351500000000, -0.0003212900000000, 0.0015042800000000 ] - [ -0.0007053800000000, 0.0000000000000000, 0.0008421300000000 ] - [ -0.0006978200000000, -0.0001744900000000, 0.0010494500000000 ] - [ -0.0004406900000000, 0.0000000000000000, 0.0015799700000000 ] - [ -0.0002677200000000, 0.0000000000000000, 0.0017265900000000 ] - [ -0.0002449200000000, -0.0000248700000000, 0.0012088500000000 ] - [ -0.0051435200000000, 0.0000000000000000, 0.0027834900000000 ] - [ -0.0006978200000000, 0.0001744900000000, 0.0010494500000000 ] - [ -0.0011772500000000, 0.0000000000000000, 0.0010955300000000 ] - [ -0.0002449200000000, 0.0000248700000000, 0.0012088500000000 ] - [ 0.0012934200000000, 0.0007998800000000, -0.0059451300000000 ] - [ -0.0024997200000000, 0.0000000000000000, -0.0019260900000000 ] - [ -0.0001338500000000, 0.0000000000000000, 0.0004080200000000 ] - [ 0.0012934200000000, -0.0007998800000000, -0.0059451300000000 ] - [ 0.0068771900000000, 0.0084129400000000, 0.0104652100000000 ] - [ -0.0262103600000000, 0.0000000000000000, 0.0187844800000000 ] - [ 0.0134912900000000, 0.0000000000000000, -0.1526577200000000 ] - [ -0.0006964000000000, 0.0007443300000000, -0.0024427500000000 ] - [ -0.0005025000000000, 0.0003287400000000, 0.0024087200000000 ] - [ 0.0018266800000000, 0.0000000000000000, -0.0021340600000000 ] - [ 0.0011276500000000, 0.0000000000000000, -0.0043833500000000 ] - [ 0.0038646900000000, 0.0102711300000000, 0.0080847200000000 ] - [ -0.0000205500000000, 0.0000000000000000, 0.0013499100000000 ] - [ 0.0002202500000000, 0.0000680000000000, 0.0004239300000000 ] - [ 0.0038646900000000, -0.0102711300000000, 0.0080847200000000 ] - [ 0.0007656000000000, 0.0000000000000000, 0.0030472200000000 ] - [ 0.0000544900000000, 0.0001720000000000, 0.0017921800000000 ] - [ 0.0003543400000000, 0.0000000000000000, 0.0018683900000000 ] - [ 0.0008627800000000, 0.0000000000000000, 0.0017590100000000 ] - [ -0.0000292900000000, 0.0000000000000000, 0.0022954200000000 ] - [ 0.0003868800000000, 0.0001581900000000, 0.0020724400000000 ] - [ 0.0000544900000000, -0.0001720000000000, 0.0017921800000000 ] - [ 0.0001153600000000, 0.0000000000000000, 0.0020846500000000 ] - [ 0.0003868800000000, -0.0001581900000000, 0.0020724400000000 ] - [ -0.0002584300000000, 0.0000000000000000, 0.0016938200000000 ] - [ 0.0001501100000000, 0.0000000000000000, 0.0017897700000000 ] - [ 0.0000988300000000, -0.0001583600000000, 0.0018156200000000 ] - [ 0.0000890600000000, 0.0001640500000000, 0.0018320200000000 ] - [ 0.0001351500000000, 0.0003212900000000, 0.0015042800000000 ] - [ -0.0002028000000000, 0.0000000000000000, 0.0016298200000000 ] - [ 0.0001378500000000, -0.0003021200000000, 0.0014127400000000 ] - [ -0.0005896500000000, 0.0000000000000000, 0.0008710700000000 ] - [ 0.0007212600000000, -0.0000229300000000, 0.0006132400000000 ] - [ -0.0000938000000000, 0.0000000000000000, 0.0012682800000000 ] - [ -0.0001509400000000, 0.0000000000000000, 0.0017927000000000 ] - [ 0.0001633500000000, -0.0000527800000000, 0.0015220200000000 ] - [ 0.0031638800000000, 0.0000000000000000, -0.0010362900000000 ] - [ 0.0007212600000000, 0.0000229300000000, 0.0006132400000000 ] - [ 0.0010889500000000, 0.0000000000000000, 0.0026094600000000 ] - [ 0.0001633500000000, 0.0000527800000000, 0.0015220200000000 ] - [ 0.0049256700000000, 0.0021278300000000, -0.0116605100000000 ] - [ 0.0039879200000000, 0.0000000000000000, -0.0014356300000000 ] - [ 0.0008348500000000, 0.0000000000000000, 0.0024872200000000 ] - [ 0.0049256700000000, -0.0021278300000000, -0.0116605100000000 ] - [ -0.0006964000000000, -0.0007443300000000, -0.0024427500000000 ] - [ 0.0022780100000000, 0.0000000000000000, -0.0029352200000000 ] - [ 0.0013636600000000, 0.0000000000000000, -0.0038187200000000 ] - [ 0.0068771900000000, -0.0084129400000000, 0.0104652100000000 ] - [ 0.0002202500000000, -0.0000680000000000, 0.0004239300000000 ] - [ -0.0028366600000000, 0.0000000000000000, -0.0034103400000000 ] - [ -0.0015405600000000, 0.0000000000000000, -0.0126607000000000 ] - [ -0.0013946900000000, -0.0008226800000000, -0.0034218200000000 ] - [ 0.0000512200000000, 0.0000000000000000, 0.0021501600000000 ] - [ -0.0005025000000000, -0.0003287400000000, 0.0024087200000000 ] - [ -0.0013946900000000, 0.0008226800000000, -0.0034218200000000 ] - [ -0.0014581400000000, 0.0000000000000000, 0.0010943200000000 ] - [ -0.0000160700000000, 0.0001655300000000, 0.0016536700000000 ] - [ 0.0003011400000000, 0.0000000000000000, 0.0013283100000000 ] - [ -0.0005851500000000, 0.0000000000000000, 0.0006459700000000 ] - [ -0.0000590900000000, 0.0000000000000000, 0.0022256800000000 ] - [ -0.0002916400000000, 0.0001667800000000, 0.0019024100000000 ] - [ -0.0000160700000000, -0.0001655300000000, 0.0016536700000000 ] - [ 0.0000019300000000, 0.0000000000000000, 0.0020882300000000 ] - [ -0.0002916400000000, -0.0001667800000000, 0.0019024100000000 ] - [ -0.0002801900000000, 0.0000000000000000, 0.0016554600000000 ] - [ 0.0002599600000000, 0.0000000000000000, 0.0017672400000000 ] - [ 0.0000890600000000, -0.0001640500000000, 0.0018320200000000 ] - [ 0.0000988300000000, 0.0001583600000000, 0.0018156200000000 ]- atom: 75 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001176700000000, 0.0000000000000000, 0.0026866200000000 ] - [ -0.0000851100000000, 0.0000000000000000, 0.0015949400000000 ] - [ 0.0002886500000000, 0.0000511200000000, 0.0020154100000000 ] - [ 0.0001934600000000, 0.0000000000000000, 0.0008769100000000 ] - [ -0.0000705700000000, -0.0000516500000000, 0.0021181600000000 ] - [ -0.0023065700000000, 0.0017523200000000, 0.0006260400000000 ] - [ -0.0005993500000000, 0.0000000000000000, 0.0025623000000000 ] - [ -0.0023065700000000, -0.0017523200000000, 0.0006260400000000 ] - [ -0.0003309900000000, 0.0000000000000000, 0.0017011700000000 ] - [ -0.0047022600000000, 0.0000000000000000, -0.0310526400000000 ] - [ 0.0032936000000000, -0.0110194500000000, -0.0383146700000000 ] - [ 0.0009030700000000, 0.0000000000000000, 0.0012382800000000 ] - [ 0.0018941900000000, 0.0000000000000000, -0.0044513600000000 ] - [ -0.0005698400000000, 0.0000000000000000, -0.0009006300000000 ] - [ 0.0032936000000000, 0.0110194500000000, -0.0383146700000000 ] - [ -0.0042762000000000, 0.0000000000000000, -0.0118135800000000 ] - [ 0.0003673700000000, 0.0005684900000000, 0.0028708600000000 ] - [ -0.0001556400000000, 0.0000000000000000, 0.0024876200000000 ] - [ -0.0001474400000000, 0.0001104500000000, 0.0026014700000000 ] - [ 0.0003234000000000, 0.0000000000000000, 0.0031622500000000 ] - [ 0.0003673700000000, -0.0005684900000000, 0.0028708600000000 ] - [ -0.0000653300000000, -0.0001028500000000, 0.0026414100000000 ] - [ -0.0000802400000000, 0.0000000000000000, 0.0027592900000000 ] - [ 0.0000343800000000, 0.0000000000000000, 0.0023893800000000 ] - [ 0.0001464300000000, 0.0000000000000000, 0.0027954600000000 ] - [ -0.0000844600000000, 0.0000000000000000, 0.0018786400000000 ] - [ -0.0000705700000000, 0.0000516500000000, 0.0021181600000000 ] - [ -0.0012485700000000, 0.0000000000000000, 0.0026911500000000 ] - [ 0.0002886500000000, -0.0000511200000000, 0.0020154100000000 ] - [ 0.0051888900000000, 0.0011650800000000, 0.0035439900000000 ] - [ 0.0010817600000000, 0.0000000000000000, 0.0023842300000000 ] - [ 0.0051888900000000, -0.0011650800000000, 0.0035439900000000 ] - [ -0.0000900800000000, 0.0000000000000000, 0.0028494400000000 ] - [ -0.0003497200000000, 0.0000000000000000, -0.0068647700000000 ] - [ 0.0014001400000000, 0.0000054400000000, -0.0054953900000000 ] - [ -0.0012310200000000, 0.0000000000000000, 0.0021864700000000 ] - [ -0.0060392900000000, 0.0000000000000000, -0.0072324800000000 ] - [ -0.0041938900000000, 0.0000000000000000, 0.0045928300000000 ] - [ 0.0014001400000000, -0.0000054400000000, -0.0054953900000000 ] - [ 0.0044232100000000, 0.0000000000000000, -0.0112388500000000 ] - [ -0.0003237500000000, 0.0003688200000000, 0.0014947700000000 ] - [ -0.0001037600000000, 0.0000000000000000, 0.0023969600000000 ] - [ -0.0000653300000000, 0.0001028500000000, 0.0026414100000000 ] - [ 0.0000276900000000, 0.0000000000000000, 0.0029374000000000 ] - [ -0.0003237500000000, -0.0003688200000000, 0.0014947700000000 ] - [ -0.0001474400000000, -0.0001104500000000, 0.0026014700000000 ] - [ 0.0005631600000000, 0.0000000000000000, 0.0025452000000000 ] - [ 0.0000198300000000, 0.0000000000000000, 0.0023354400000000 ] - [ 0.0104917900000000, 0.0000000000000000, -0.0185866200000000 ] - [ -0.0008090800000000, 0.0000000000000000, 0.0042872100000000 ] - [ 0.0001095200000000, 0.0000000000000000, 0.0023624300000000 ] - [ 0.0059509500000000, 0.0000000000000000, 0.0041661800000000 ] - [ 0.0023504500000000, 0.0000000000000000, -0.0043764700000000 ] - [ 0.0018281000000000, 0.0000000000000000, 0.0004137800000000 ] - [ 0.0001646900000000, 0.0000000000000000, 0.0020971400000000 ] - [ -0.0017418800000000, 0.0000000000000000, -0.0016863900000000 ] - [ -0.0001535900000000, -0.0002290800000000, -0.0011936000000000 ] - [ -0.0001833200000000, 0.0000000000000000, -0.0018472700000000 ] - [ -0.0001509300000000, 0.0002484400000000, -0.0012855200000000 ] - [ 0.0000218400000000, 0.0000000000000000, -0.0018620000000000 ] - [ 0.0004388100000000, -0.0000528900000000, -0.0017187800000000 ] - [ 0.0000508600000000, 0.0000000000000000, -0.0015576700000000 ] - [ -0.0001713700000000, 0.0000000000000000, -0.0018548500000000 ] - [ 0.0000774300000000, 0.0000393800000000, -0.0015353400000000 ] - [ 0.0042824700000000, 0.0000000000000000, -0.0035489700000000 ] - [ 0.0004388100000000, 0.0000528900000000, -0.0017187800000000 ] - [ 0.0010190100000000, 0.0000000000000000, -0.0015518400000000 ] - [ 0.0000774300000000, -0.0000393800000000, -0.0015353400000000 ] - [ -0.0013759700000000, -0.0007298500000000, 0.0058190900000000 ] - [ 0.0029062900000000, 0.0000000000000000, 0.0017740700000000 ] - [ 0.0007133000000000, 0.0000000000000000, -0.0001873900000000 ] - [ -0.0013759700000000, 0.0007298500000000, 0.0058190900000000 ] - [ -0.0070784700000000, -0.0088562700000000, -0.0105842800000000 ] - [ 0.0257176100000000, 0.0000000000000000, -0.0184134000000000 ] - [ -0.0108736300000000, 0.0000000000000000, 0.1523297200000000 ] - [ 0.0005970200000000, -0.0004480200000000, 0.0024985800000000 ] - [ 0.0004563700000000, -0.0004153300000000, -0.0021082400000000 ] - [ -0.0015548800000000, 0.0000000000000000, 0.0016329400000000 ] - [ -0.0007714200000000, 0.0000000000000000, 0.0039402900000000 ] - [ -0.0039794900000000, -0.0101760700000000, -0.0089753200000000 ] - [ 0.0002384700000000, 0.0000000000000000, -0.0010386700000000 ] - [ -0.0002607500000000, 0.0000200300000000, -0.0001305800000000 ] - [ -0.0039794900000000, 0.0101760700000000, -0.0089753200000000 ] - [ -0.0011476400000000, 0.0000000000000000, -0.0034319100000000 ] - [ -0.0000150400000000, 0.0001513200000000, -0.0013880700000000 ] - [ 0.0004592900000000, 0.0000000000000000, -0.0015769900000000 ] - [ -0.0007315200000000, 0.0000000000000000, -0.0020283900000000 ] - [ -0.0000591900000000, 0.0000000000000000, -0.0015483300000000 ] - [ -0.0003964700000000, 0.0002147300000000, -0.0011612200000000 ] - [ -0.0000150400000000, -0.0001513200000000, -0.0013880700000000 ] - [ 0.0000207500000000, 0.0000000000000000, -0.0009767800000000 ] - [ -0.0003964700000000, -0.0002147300000000, -0.0011612200000000 ] - [ 0.0003721000000000, 0.0000000000000000, -0.0010159400000000 ] - [ 0.0002530700000000, 0.0000000000000000, -0.0017084200000000 ] - [ -0.0002372000000000, 0.0004064800000000, -0.0008497200000000 ] - [ -0.0002275700000000, -0.0004116600000000, -0.0008659200000000 ] - [ -0.0001509300000000, -0.0002484400000000, -0.0012855200000000 ] - [ -0.0000007300000000, 0.0000000000000000, -0.0021501600000000 ] - [ -0.0001535900000000, 0.0002290800000000, -0.0011936000000000 ] - [ -0.0000946200000000, 0.0000000000000000, -0.0018909400000000 ] - [ -0.0009874100000000, -0.0002056400000000, -0.0012786300000000 ] - [ -0.0002975500000000, 0.0000000000000000, -0.0012440600000000 ] - [ -0.0002886700000000, 0.0000000000000000, -0.0019208200000000 ] - [ -0.0003332600000000, 0.0000672000000000, -0.0018499100000000 ] - [ -0.0040897300000000, 0.0000000000000000, 0.0003096000000000 ] - [ -0.0009874100000000, 0.0002056400000000, -0.0012786300000000 ] - [ -0.0012619500000000, 0.0000000000000000, -0.0030767300000000 ] - [ -0.0003332600000000, -0.0000672000000000, -0.0018499100000000 ] - [ -0.0048258500000000, -0.0019718100000000, 0.0115589900000000 ] - [ -0.0036115000000000, 0.0000000000000000, 0.0012892300000000 ] - [ -0.0002614400000000, 0.0000000000000000, -0.0022760900000000 ] - [ -0.0048258500000000, 0.0019718100000000, 0.0115589900000000 ] - [ 0.0005970200000000, 0.0004480200000000, 0.0024985800000000 ] - [ -0.0023690400000000, 0.0000000000000000, 0.0030377900000000 ] - [ -0.0017202800000000, 0.0000000000000000, 0.0031278300000000 ] - [ -0.0070784700000000, 0.0088562700000000, -0.0105842800000000 ] - [ -0.0002607500000000, -0.0000200300000000, -0.0001305800000000 ] - [ 0.0030830000000000, 0.0000000000000000, 0.0028897100000000 ] - [ 0.0018790300000000, 0.0000000000000000, 0.0122290000000000 ] - [ 0.0012140900000000, 0.0007515700000000, 0.0023819000000000 ] - [ 0.0001659600000000, 0.0000000000000000, -0.0018354100000000 ] - [ 0.0004563700000000, 0.0004153300000000, -0.0021082400000000 ] - [ 0.0012140900000000, -0.0007515700000000, 0.0023819000000000 ] - [ 0.0010656900000000, 0.0000000000000000, -0.0014932300000000 ] - [ 0.0000553300000000, 0.0001577600000000, -0.0012503200000000 ] - [ 0.0005131000000000, 0.0000000000000000, -0.0010391300000000 ] - [ 0.0007112600000000, 0.0000000000000000, -0.0009223100000000 ] - [ -0.0000293900000000, 0.0000000000000000, -0.0014788000000000 ] - [ 0.0002788100000000, 0.0002060300000000, -0.0009926200000000 ] - [ 0.0000553300000000, -0.0001577600000000, -0.0012503200000000 ] - [ 0.0001334300000000, 0.0000000000000000, -0.0009805100000000 ] - [ 0.0002788100000000, -0.0002060300000000, -0.0009926200000000 ] - [ 0.0003935100000000, 0.0000000000000000, -0.0009770000000000 ] - [ 0.0001437900000000, 0.0000000000000000, -0.0016861400000000 ] - [ -0.0002275700000000, 0.0004116600000000, -0.0008659200000000 ] - [ -0.0002372000000000, -0.0004064800000000, -0.0008497200000000 ]- atom: 77 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001109700000000, -0.0000026800000000, 0.0005327700000000 ] - [ -0.0000981800000000, 0.0000014900000000, -0.0003213700000000 ] - [ 0.0001469400000000, 0.0000441100000000, -0.0000347700000000 ] - [ -0.0001732600000000, 0.0000026100000000, -0.0003503600000000 ] - [ 0.0000117600000000, -0.0000360000000000, -0.0000323000000000 ] - [ -0.0000866000000000, -0.0000019100000000, 0.0001115400000000 ] - [ -0.0001079300000000, -0.0000009700000000, 0.0001238100000000 ] - [ -0.0000652300000000, 0.0000014400000000, 0.0001340000000000 ] - [ -0.0001194000000000, 0.0000005100000000, 0.0001044900000000 ] - [ 0.0007976400000000, 0.0000288300000000, -0.0005309900000000 ] - [ 0.0057083500000000, -0.0003773500000000, -0.0008961100000000 ] - [ -0.0090561500000000, -0.0006575600000000, -0.0023182000000000 ] - [ -0.0000259100000000, 0.0000400700000000, -0.0003602900000000 ] - [ -0.0059346800000000, -0.0000498100000000, -0.0023520400000000 ] - [ 0.0041536100000000, 0.0006306400000000, -0.0016951100000000 ] - [ -0.0003890400000000, -0.0000755500000000, -0.0019871100000000 ] - [ 0.0080347400000000, -0.0029884200000000, -0.0051837900000000 ] - [ 0.0011957500000000, -0.0000631800000000, -0.0002686400000000 ] - [ 0.0003852500000000, 0.0000147400000000, 0.0014107700000000 ] - [ 0.0000581500000000, -0.0001854400000000, -0.0022351100000000 ] - [ 0.0507660600000000, 0.0001874700000000, 0.0168364400000000 ] - [ -0.0005599700000000, -0.0002591600000000, -0.0002358200000000 ] - [ 0.0068465600000000, -0.0034069300000000, 0.0038868000000000 ] - [ 0.0004251100000000, -0.0000037300000000, -0.0002535000000000 ] - [ 0.0001791100000000, 0.0000002400000000, 0.0000461100000000 ] - [ -0.0000229800000000, 0.0000012400000000, -0.0004514500000000 ] - [ 0.0000134400000000, 0.0000362600000000, -0.0000293000000000 ] - [ -0.0000631200000000, 0.0000012500000000, -0.0003567900000000 ] - [ 0.0001442800000000, -0.0000438000000000, -0.0000359300000000 ] - [ 0.0000647800000000, 0.0000210300000000, -0.0001127900000000 ] - [ -0.0000863100000000, -0.0000007000000000, 0.0000449600000000 ] - [ 0.0000726400000000, -0.0000200600000000, -0.0001118900000000 ] - [ -0.0000791200000000, 0.0000004300000000, 0.0000216000000000 ] - [ -0.0005620100000000, -0.0001763600000000, 0.0004328800000000 ] - [ -0.0020660800000000, -0.0004267600000000, -0.0001985700000000 ] - [ 0.0301642300000000, -0.0079017000000000, -0.0052798500000000 ] - [ 0.0005460500000000, 0.0000309500000000, 0.0002119200000000 ] - [ 0.0263507100000000, 0.0004200700000000, 0.0000232100000000 ] - [ -0.0024708600000000, 0.0004490200000000, -0.0004127800000000 ] - [ -0.0010695600000000, -0.0020071400000000, 0.0027719700000000 ] - [ -0.0099198600000000, -0.0019622300000000, 0.0034013200000000 ] - [ -0.0012944800000000, 0.0002508600000000, 0.0008062300000000 ] - [ -0.0006199700000000, 0.0002724400000000, -0.0002835700000000 ] - [ -0.0012363700000000, 0.0026701500000000, 0.0043289700000000 ] - [ -0.0053857900000000, 0.0021754900000000, 0.0048028700000000 ] - [ 0.0001309900000000, -0.0000306200000000, 0.0011367100000000 ] - [ -0.0045097000000000, -0.0000035000000000, -0.0013136100000000 ] - [ -0.0003309900000000, -0.0000424000000000, 0.0000023100000000 ] - [ -0.0000239500000000, 0.0001401700000000, 0.0003465900000000 ] - [ 0.0231143300000000, 0.0236065600000000, 0.0102408400000000 ] - [ 0.0014834800000000, 0.0004247800000000, -0.0013397500000000 ] - [ -0.0020327000000000, 0.0018289700000000, 0.0043249900000000 ] - [ -0.0003257200000000, -0.0000433700000000, -0.0007176300000000 ] - [ -0.0074932300000000, 0.0005464500000000, 0.0020880100000000 ] - [ -0.0012880100000000, -0.0002498300000000, 0.0011680300000000 ] - [ -0.0032776600000000, 0.0018504500000000, -0.0057035700000000 ] - [ -0.0000425900000000, 0.0000175300000000, 0.0000300600000000 ] - [ -0.0001132100000000, -0.0000003100000000, -0.0002770200000000 ] - [ 0.0000277300000000, -0.0000575700000000, 0.0001823300000000 ] - [ -0.0002730000000000, -0.0000017300000000, -0.0005596700000000 ] - [ -0.0001543500000000, -0.0001151000000000, -0.0003725600000000 ] - [ -0.0001840000000000, 0.0000002800000000, 0.0000167400000000 ] - [ -0.0001563000000000, 0.0000033100000000, -0.0000994100000000 ] - [ -0.0000704400000000, 0.0000078500000000, -0.0001943200000000 ] - [ -0.0004362200000000, -0.0000128800000000, -0.0005044000000000 ] - [ -0.0001538900000000, 0.0001152400000000, -0.0003707400000000 ] - [ -0.0000492900000000, -0.0000026700000000, -0.0002735600000000 ] - [ -0.0000704200000000, -0.0000076000000000, -0.0001930400000000 ] - [ 0.0008705400000000, 0.0000963500000000, -0.0011524000000000 ] - [ 0.0001568400000000, 0.0000176000000000, -0.0002709600000000 ] - [ 0.0003139100000000, 0.0000032500000000, 0.0000614900000000 ] - [ 0.0003442100000000, 0.0000589800000000, -0.0006122600000000 ] - [ -0.0003114900000000, -0.0000777500000000, 0.0000094700000000 ] - [ -0.0024700200000000, 0.0013267800000000, 0.0034429800000000 ] - [ -0.0016453500000000, -0.0003104400000000, -0.0006133600000000 ] - [ 0.0001342300000000, 0.0002059500000000, 0.0000084200000000 ] - [ -0.1717809500000000, -0.0253738200000000, -0.0267232100000000 ] - [ 0.0024427500000000, -0.0000506200000000, -0.0009068000000000 ] - [ 0.0009714500000000, 0.0000014800000000, 0.0002862800000000 ] - [ 0.0006972700000000, 0.0016104900000000, -0.0111856100000000 ] - [ 0.0035368500000000, 0.0002790800000000, -0.0006603200000000 ] - [ 0.0057354000000000, -0.0000054200000000, 0.0002007900000000 ] - [ -0.0027222600000000, 0.0007482800000000, -0.0029910800000000 ] - [ 0.0283937300000000, 0.0230407100000000, 0.0017731100000000 ] - [ -0.0000359300000000, 0.0003314200000000, 0.0016347100000000 ] - [ -0.0039048300000000, -0.0019297800000000, 0.0042498600000000 ] - [ 0.0125490900000000, -0.0079731100000000, 0.0033618000000000 ] - [ -0.0000114200000000, 0.0000322800000000, 0.0008946600000000 ] - [ 0.0023644100000000, 0.0002222800000000, 0.0040728200000000 ] - [ -0.0002076900000000, -0.0002475300000000, 0.0012713700000000 ] - [ 0.0007592700000000, 0.0000519700000000, 0.0014005500000000 ] - [ 0.0028592800000000, -0.0002063200000000, 0.0035512100000000 ] - [ 0.0000256500000000, -0.0000298900000000, 0.0006707000000000 ] - [ -0.0010961600000000, 0.0003452000000000, -0.0008722200000000 ] - [ 0.0004529800000000, 0.0001641800000000, 0.0005102500000000 ] - [ -0.0005348700000000, -0.0001213300000000, 0.0003787200000000 ] - [ 0.0000317800000000, 0.0000573900000000, 0.0001797900000000 ] - [ -0.0000897000000000, -0.0000001000000000, -0.0002498900000000 ] - [ -0.0000415800000000, -0.0000184100000000, 0.0000340800000000 ] - [ -0.0004155600000000, -0.0000010200000000, -0.0004688900000000 ] - [ -0.0001021100000000, -0.0001110100000000, -0.0002970600000000 ] - [ -0.0002039400000000, 0.0000003700000000, -0.0000015100000000 ] - [ -0.0002868200000000, 0.0000018300000000, -0.0000426400000000 ] - [ -0.0000993700000000, 0.0000089600000000, -0.0001433400000000 ] - [ -0.0004702200000000, 0.0000059700000000, -0.0002233900000000 ] - [ -0.0001050300000000, 0.0001118700000000, -0.0002954000000000 ] - [ -0.0001203100000000, -0.0000010400000000, -0.0001923200000000 ] - [ -0.0000998700000000, -0.0000087400000000, -0.0001419400000000 ] - [ -0.0000401100000000, -0.0000508700000000, 0.0012384300000000 ] - [ 0.0002419300000000, -0.0000148300000000, 0.0001800300000000 ] - [ 0.0002572000000000, 0.0000017100000000, 0.0001533500000000 ] - [ -0.0002233200000000, -0.0000178400000000, 0.0009183700000000 ] - [ 0.0001682100000000, -0.0002247700000000, -0.0000699900000000 ] - [ 0.0021294800000000, 0.0001737400000000, -0.0011751800000000 ] - [ 0.0007857900000000, 0.0000365100000000, -0.0002418600000000 ] - [ -0.0002761600000000, 0.0000838800000000, 0.0000380700000000 ] - [ 0.0078777800000000, -0.0000339900000000, 0.0002551500000000 ] - [ -0.0038898500000000, -0.0034282100000000, 0.0068927500000000 ] - [ -0.0015013700000000, 0.0005701600000000, -0.0009294500000000 ] - [ 0.0017670000000000, -0.0001137700000000, 0.0010857400000000 ] - [ -0.0050281200000000, 0.0059807300000000, 0.0107877600000000 ] - [ -0.0125483600000000, -0.0016384700000000, -0.0008336100000000 ] - [ 0.0020707200000000, 0.0002052300000000, 0.0012946000000000 ] - [ 0.0086115800000000, 0.0043664900000000, -0.0003124700000000 ] - [ 0.0008672700000000, -0.0000862300000000, -0.0015211800000000 ] - [ 0.0045748900000000, -0.0003089000000000, -0.0018569300000000 ] - [ 0.0161700200000000, -0.0104041800000000, -0.0038253600000000 ] - [ -0.0000754500000000, -0.0000544800000000, -0.0000924400000000 ] - [ 0.0051106500000000, -0.0000658100000000, -0.0118347600000000 ] - [ 0.0003936100000000, -0.0002435600000000, -0.0005531100000000 ] - [ -0.0009056100000000, -0.0004358100000000, -0.0004116100000000 ] - [ -0.0019956900000000, -0.0011564900000000, -0.0021137300000000 ] - [ 0.0001027800000000, 0.0000534000000000, 0.0000241000000000 ] - [ 0.0012360600000000, -0.0000466500000000, 0.0006930200000000 ] - [ -0.0005868700000000, 0.0001253300000000, 0.0003483700000000 ] - [ 0.0003676300000000, -0.0001365900000000, 0.0005918900000000 ]- atom: 77 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001775500000000, 0.0000029100000000, 0.0000559900000000 ] - [ -0.0000264900000000, -0.0000012800000000, -0.0004565500000000 ] - [ 0.0000122500000000, 0.0000350000000000, -0.0000377400000000 ] - [ -0.0000563200000000, -0.0000024100000000, -0.0003630700000000 ] - [ 0.0001484900000000, -0.0000426300000000, -0.0000405800000000 ] - [ 0.0000493400000000, 0.0000111200000000, -0.0000988100000000 ] - [ -0.0000904000000000, 0.0000011500000000, 0.0000398900000000 ] - [ 0.0000278500000000, -0.0000102400000000, -0.0001213400000000 ] - [ -0.0000780600000000, -0.0000003300000000, 0.0000159300000000 ] - [ -0.0008022000000000, -0.0000274100000000, 0.0004771400000000 ] - [ -0.0054993600000000, 0.0002208100000000, 0.0001307400000000 ] - [ 0.0091437300000000, 0.0006477400000000, 0.0018687400000000 ] - [ 0.0006292700000000, -0.0000399200000000, 0.0001380600000000 ] - [ 0.0059977500000000, 0.0000476100000000, 0.0017300300000000 ] - [ -0.0039364100000000, -0.0004713900000000, 0.0009355900000000 ] - [ 0.0010674900000000, 0.0000798400000000, 0.0016667800000000 ] - [ -0.0077810000000000, 0.0030846100000000, 0.0051477300000000 ] - [ -0.0014431700000000, 0.0000644500000000, 0.0008617100000000 ] - [ -0.0006085300000000, 0.0002206300000000, -0.0004647800000000 ] - [ 0.0003928500000000, 0.0001895800000000, 0.0033248300000000 ] - [ -0.0477552000000000, -0.0005234200000000, -0.0145521200000000 ] - [ 0.0003503600000000, 0.0000248800000000, 0.0011833200000000 ] - [ -0.0064973300000000, 0.0034199900000000, -0.0031318700000000 ] - [ -0.0003618700000000, 0.0000038500000000, 0.0000045700000000 ] - [ 0.0001101300000000, -0.0000000800000000, 0.0005446100000000 ] - [ -0.0001011900000000, -0.0000010100000000, -0.0003260200000000 ] - [ 0.0001468400000000, 0.0000427800000000, -0.0000436700000000 ] - [ -0.0001653400000000, -0.0000010100000000, -0.0003570500000000 ] - [ 0.0000148900000000, -0.0000348900000000, -0.0000364900000000 ] - [ -0.0001037000000000, -0.0000118900000000, 0.0001236800000000 ] - [ -0.0001126800000000, 0.0000009000000000, 0.0001185400000000 ] - [ -0.0001116800000000, 0.0000113500000000, 0.0001226600000000 ] - [ -0.0001180500000000, -0.0000002400000000, 0.0000984100000000 ] - [ 0.0005578400000000, 0.0001770700000000, -0.0004775600000000 ] - [ 0.0022631000000000, 0.0002803900000000, -0.0005282600000000 ] - [ -0.0303933700000000, 0.0086285400000000, 0.0055134400000000 ] - [ 0.0000619400000000, -0.0000309000000000, -0.0004417500000000 ] - [ -0.0261188500000000, -0.0001252800000000, -0.0009934900000000 ] - [ 0.0026699400000000, -0.0003024500000000, -0.0003128800000000 ] - [ 0.0017954500000000, 0.0020112500000000, -0.0031014300000000 ] - [ 0.0100696700000000, 0.0020562600000000, -0.0034344700000000 ] - [ 0.0010533100000000, -0.0002512600000000, -0.0002235500000000 ] - [ 0.0004117300000000, -0.0000379000000000, 0.0012318300000000 ] - [ 0.0016401300000000, -0.0026784200000000, -0.0032519300000000 ] - [ 0.0054955700000000, -0.0022675500000000, -0.0048354800000000 ] - [ -0.0003536000000000, -0.0002042900000000, -0.0001895200000000 ] - [ 0.0049174300000000, 0.0000029300000000, 0.0020535500000000 ] - [ 0.0003954200000000, 0.0000427000000000, -0.0002543500000000 ] - [ -0.0001401500000000, -0.0001461500000000, -0.0007712300000000 ] - [ -0.0231199100000000, -0.0242512600000000, -0.0104943300000000 ] - [ -0.0012258900000000, -0.0004351900000000, 0.0023924200000000 ] - [ 0.0020242300000000, -0.0018171500000000, -0.0048123700000000 ] - [ 0.0001513100000000, 0.0000366400000000, 0.0002908800000000 ] - [ 0.0075484600000000, -0.0005451900000000, -0.0020339800000000 ] - [ 0.0015527800000000, 0.0002447100000000, -0.0001535900000000 ] - [ 0.0032445600000000, -0.0018666700000000, 0.0052331000000000 ] - [ 0.0000273300000000, 0.0000567100000000, 0.0001864300000000 ] - [ -0.0000901600000000, 0.0000005500000000, -0.0002439700000000 ] - [ -0.0000437300000000, -0.0000164600000000, 0.0000333000000000 ] - [ -0.0004129600000000, 0.0000018300000000, -0.0004630800000000 ] - [ -0.0001069500000000, -0.0001115900000000, -0.0002960300000000 ] - [ -0.0002053400000000, -0.0000000700000000, 0.0000038500000000 ] - [ -0.0002834900000000, -0.0000031200000000, -0.0000308100000000 ] - [ -0.0000991000000000, 0.0000082000000000, -0.0001346700000000 ] - [ -0.0004661200000000, 0.0000130200000000, -0.0002394100000000 ] - [ -0.0001072900000000, 0.0001118200000000, -0.0002978400000000 ] - [ -0.0001158000000000, 0.0000029300000000, -0.0001825500000000 ] - [ -0.0000990500000000, -0.0000080200000000, -0.0001359800000000 ] - [ -0.0009245000000000, -0.0000122900000000, 0.0010341300000000 ] - [ 0.0002358800000000, -0.0000175000000000, 0.0001067200000000 ] - [ 0.0002631400000000, -0.0000030600000000, 0.0001565100000000 ] - [ -0.0003980600000000, -0.0001429900000000, 0.0004938400000000 ] - [ 0.0002057300000000, -0.0002195100000000, 0.0000374300000000 ] - [ 0.0023923300000000, -0.0013229800000000, -0.0032955200000000 ] - [ 0.0012764100000000, 0.0003100700000000, -0.0000685800000000 ] - [ -0.0002401600000000, 0.0000920200000000, 0.0000346500000000 ] - [ 0.1687359600000000, 0.0249939800000000, 0.0245850600000000 ] - [ -0.0021785400000000, 0.0000512500000000, 0.0004071400000000 ] - [ -0.0006274700000000, -0.0000018700000000, -0.0007343300000000 ] - [ -0.0009016200000000, -0.0016660100000000, 0.0101091600000000 ] - [ -0.0033214700000000, -0.0002786600000000, 0.0009850100000000 ] - [ -0.0057805300000000, 0.0000899300000000, 0.0001003700000000 ] - [ 0.0025198000000000, -0.0006889900000000, 0.0019742200000000 ] - [ -0.0282852800000000, -0.0225903900000000, -0.0021315600000000 ] - [ 0.0000677100000000, -0.0000075800000000, -0.0012424800000000 ] - [ 0.0046761400000000, 0.0019461200000000, -0.0039988000000000 ] - [ -0.0122714400000000, 0.0078305800000000, -0.0035902800000000 ] - [ -0.0000795800000000, -0.0000324300000000, -0.0001527200000000 ] - [ -0.0023977900000000, 0.0001481900000000, -0.0031295400000000 ] - [ 0.0002414600000000, -0.0000773700000000, -0.0008747800000000 ] - [ -0.0006328300000000, -0.0000521000000000, -0.0002861000000000 ] - [ -0.0028835800000000, -0.0001642800000000, -0.0026192200000000 ] - [ 0.0000862700000000, 0.0000305000000000, 0.0000043700000000 ] - [ 0.0015071300000000, -0.0003468000000000, 0.0009541200000000 ] - [ -0.0005932900000000, 0.0000841900000000, 0.0004556100000000 ] - [ 0.0003974700000000, -0.0001272600000000, 0.0005847000000000 ] - [ -0.0000476600000000, 0.0000169600000000, 0.0000359000000000 ] - [ -0.0001143300000000, 0.0000003600000000, -0.0002711800000000 ] - [ 0.0000264800000000, -0.0000557500000000, 0.0001819200000000 ] - [ -0.0002699100000000, 0.0000011100000000, -0.0005546400000000 ] - [ -0.0001586400000000, -0.0001154800000000, -0.0003714700000000 ] - [ -0.0001849000000000, -0.0000001400000000, 0.0000220300000000 ] - [ -0.0001525400000000, -0.0000015100000000, -0.0000884000000000 ] - [ -0.0000700300000000, 0.0000070400000000, -0.0001857800000000 ] - [ -0.0004302700000000, -0.0000056600000000, -0.0005194800000000 ] - [ -0.0001552300000000, 0.0001149300000000, -0.0003729200000000 ] - [ -0.0000443900000000, 0.0000013000000000, -0.0002631200000000 ] - [ -0.0000695400000000, -0.0000068400000000, -0.0001871400000000 ] - [ -0.0000009200000000, 0.0001337800000000, -0.0013422000000000 ] - [ 0.0001549800000000, 0.0000147900000000, -0.0003426900000000 ] - [ 0.0003200000000000, -0.0000015500000000, 0.0000656400000000 ] - [ 0.0001814300000000, -0.0000661500000000, -0.0010267000000000 ] - [ -0.0002741900000000, -0.0000728000000000, 0.0001133300000000 ] - [ -0.0022386000000000, -0.0001752500000000, 0.0012871400000000 ] - [ -0.0011490400000000, -0.0000359900000000, -0.0004494000000000 ] - [ 0.0001705200000000, 0.0002138100000000, 0.0000084800000000 ] - [ -0.0079219200000000, -0.0000464300000000, 0.0000442400000000 ] - [ 0.0041903700000000, 0.0034070600000000, -0.0073330100000000 ] - [ 0.0018347700000000, -0.0005683600000000, 0.0004945000000000 ] - [ -0.0019369000000000, 0.0000527700000000, -0.0021201000000000 ] - [ 0.0051416200000000, -0.0060371900000000, -0.0105547200000000 ] - [ 0.0124986100000000, 0.0015195800000000, 0.0011220300000000 ] - [ -0.0022452400000000, -0.0001450400000000, -0.0023299400000000 ] - [ -0.0090661700000000, -0.0044311600000000, -0.0000861100000000 ] - [ -0.0008261000000000, 0.0004125400000000, 0.0019354500000000 ] - [ -0.0037657500000000, 0.0003083400000000, 0.0021695400000000 ] - [ -0.0162684100000000, 0.0105723200000000, 0.0035955300000000 ] - [ -0.0000115200000000, 0.0000548700000000, 0.0008389400000000 ] - [ -0.0051527300000000, 0.0004418700000000, 0.0128688800000000 ] - [ -0.0003498200000000, -0.0000817800000000, 0.0009625400000000 ] - [ 0.0010473400000000, 0.0004382900000000, 0.0015210800000000 ] - [ 0.0020137700000000, 0.0007868400000000, 0.0030328600000000 ] - [ 0.0000128300000000, -0.0000532900000000, 0.0006533800000000 ] - [ -0.0008377300000000, 0.0000471100000000, -0.0006053600000000 ] - [ 0.0004498700000000, 0.0001237200000000, 0.0006150600000000 ] - [ -0.0005076300000000, -0.0001114100000000, 0.0003736400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001410000000000, -0.0000012200000000, 0.0002835000000000 ] - [ -0.0000608300000000, 0.0000010300000000, -0.0003843200000000 ] - [ 0.0000801500000000, 0.0000410400000000, -0.0000339400000000 ] - [ -0.0001146700000000, -0.0000010800000000, -0.0003540700000000 ] - [ 0.0000792700000000, -0.0000424300000000, -0.0000346900000000 ] - [ -0.0000217500000000, -0.0000144200000000, 0.0000189800000000 ] - [ -0.0001007600000000, 0.0000008100000000, 0.0000848300000000 ] - [ -0.0000301400000000, 0.0000164200000000, 0.0000113100000000 ] - [ -0.0000989300000000, 0.0000006700000000, 0.0000653800000000 ] - [ -0.0001233400000000, 0.0000217300000000, -0.0001282800000000 ] - [ -0.0004267500000000, 0.0028559500000000, -0.0009930100000000 ] - [ 0.0023575600000000, 0.0003664900000000, 0.0014530400000000 ] - [ 0.0003021600000000, -0.0000099900000000, -0.0001452700000000 ] - [ -0.0011095100000000, 0.0000734900000000, -0.0012475700000000 ] - [ 0.0002566900000000, -0.0030365700000000, 0.0001382600000000 ] - [ -0.0009588300000000, 0.0000604300000000, -0.0011468500000000 ] - [ -0.0040575800000000, -0.0108936300000000, -0.0028409300000000 ] - [ 0.0000326000000000, 0.0000380300000000, 0.0004767000000000 ] - [ -0.0000628300000000, 0.0003750400000000, 0.0005259000000000 ] - [ 0.0026738900000000, 0.0002932900000000, 0.0022146200000000 ] - [ 0.0029839500000000, 0.0207982500000000, 0.0026875700000000 ] - [ -0.0001178200000000, -0.0001302600000000, 0.0004340100000000 ] - [ -0.0027486600000000, -0.0019570200000000, 0.0040528000000000 ] - [ 0.0000088900000000, -0.0000097700000000, -0.0001431100000000 ] - [ 0.0001453200000000, -0.0000024000000000, 0.0002880400000000 ] - [ -0.0000601700000000, 0.0000015200000000, -0.0003856300000000 ] - [ 0.0000803300000000, 0.0000422900000000, -0.0000333000000000 ] - [ -0.0001097000000000, -0.0000007500000000, -0.0003531600000000 ] - [ 0.0000791300000000, -0.0000417000000000, -0.0000349500000000 ] - [ -0.0000132200000000, -0.0000071100000000, 0.0000071900000000 ] - [ -0.0001003200000000, 0.0000013900000000, 0.0000814400000000 ] - [ -0.0000199800000000, 0.0000082600000000, 0.0000016700000000 ] - [ -0.0000977600000000, 0.0000003500000000, 0.0000631400000000 ] - [ -0.0000304000000000, 0.0000635400000000, -0.0000121300000000 ] - [ -0.0000498600000000, -0.0002888000000000, -0.0004056600000000 ] - [ -0.0126662500000000, 0.0398490300000000, 0.0174804600000000 ] - [ 0.0003690300000000, -0.0000182200000000, 0.0000601000000000 ] - [ 0.0015752700000000, 0.0209235600000000, -0.0024762800000000 ] - [ 0.0000307900000000, 0.0002956300000000, -0.0003889800000000 ] - [ 0.0004229700000000, 0.0008238900000000, -0.0001431700000000 ] - [ -0.0010009600000000, 0.0031337500000000, -0.0002804400000000 ] - [ -0.0001317900000000, 0.0000833900000000, 0.0002820100000000 ] - [ -0.0000581500000000, 0.0001397100000000, 0.0004617200000000 ] - [ 0.0002384000000000, 0.0009744100000000, 0.0006626900000000 ] - [ 0.0006103700000000, -0.0032135500000000, 0.0000400500000000 ] - [ -0.0001543800000000, -0.0003767800000000, 0.0004284800000000 ] - [ -0.0003138900000000, 0.0000169000000000, -0.0001022000000000 ] - [ 0.0000088700000000, -0.0000148700000000, -0.0001176200000000 ] - [ -0.0000336600000000, -0.0000581900000000, -0.0002262100000000 ] - [ 0.0253801100000000, 0.0435218400000000, 0.0203292600000000 ] - [ 0.0003424300000000, 0.0002222700000000, -0.0016498300000000 ] - [ 0.0020544200000000, -0.0014076100000000, -0.0028137900000000 ] - [ -0.0000219100000000, -0.0000148400000000, -0.0000726700000000 ] - [ -0.0015601100000000, 0.0002328800000000, 0.0009893200000000 ] - [ 0.0001105100000000, -0.0000866000000000, 0.0005674700000000 ] - [ 0.0015844800000000, 0.0002999500000000, 0.0008409600000000 ] - [ -0.0000076600000000, 0.0000393000000000, 0.0001072100000000 ] - [ -0.0001017900000000, 0.0000000300000000, -0.0002601200000000 ] - [ -0.0000083900000000, -0.0000390300000000, 0.0001098600000000 ] - [ -0.0003452500000000, -0.0000004800000000, -0.0005074000000000 ] - [ -0.0001318400000000, -0.0001108600000000, -0.0003373900000000 ] - [ -0.0001946200000000, 0.0000002400000000, 0.0000084500000000 ] - [ -0.0002158600000000, 0.0000012300000000, -0.0000714000000000 ] - [ -0.0000845900000000, 0.0000089500000000, -0.0001659000000000 ] - [ -0.0004600800000000, 0.0000045200000000, -0.0003601000000000 ] - [ -0.0001315400000000, 0.0001110300000000, -0.0003384700000000 ] - [ -0.0000828500000000, 0.0000010800000000, -0.0002269800000000 ] - [ -0.0000846600000000, -0.0000087400000000, -0.0001658500000000 ] - [ -0.0001187300000000, -0.0000332500000000, 0.0000363300000000 ] - [ 0.0002358100000000, -0.0000059700000000, -0.0001351500000000 ] - [ 0.0002934300000000, -0.0000008400000000, 0.0000991800000000 ] - [ 0.0000868200000000, -0.0000090600000000, -0.0001749800000000 ] - [ -0.0000686800000000, -0.0001241800000000, 0.0000384400000000 ] - [ 0.0012453800000000, 0.0018032400000000, 0.0043378500000000 ] - [ -0.0005182900000000, 0.0000876500000000, 0.0000791500000000 ] - [ -0.0000350900000000, 0.0001607800000000, 0.0000119200000000 ] - [ -0.0240301800000000, -0.1938278100000000, -0.0432682500000000 ] - [ -0.0000355200000000, 0.0000619700000000, 0.0000192700000000 ] - [ 0.0001618100000000, 0.0000144100000000, -0.0001441100000000 ] - [ -0.0012039400000000, -0.0034259200000000, 0.0016583300000000 ] - [ 0.0004442800000000, 0.0001050100000000, -0.0003116900000000 ] - [ 0.0000232600000000, -0.0012599200000000, 0.0001176600000000 ] - [ 0.0005789600000000, 0.0010893900000000, -0.0018693400000000 ] - [ 0.0190355600000000, 0.0057677000000000, -0.0000646400000000 ] - [ -0.0001611900000000, 0.0009906100000000, -0.0000952400000000 ] - [ -0.0039416100000000, 0.0063296700000000, -0.0094512300000000 ] - [ -0.0108723000000000, 0.0060576500000000, -0.0021189000000000 ] - [ -0.0000248300000000, -0.0000076500000000, 0.0004253400000000 ] - [ -0.0001072200000000, 0.0023356900000000, 0.0001284700000000 ] - [ -0.0000445300000000, -0.0007885500000000, 0.0001221000000000 ] - [ 0.0000873300000000, 0.0000030700000000, 0.0005540100000000 ] - [ -0.0001892300000000, -0.0019677000000000, 0.0002189100000000 ] - [ 0.0000407200000000, 0.0000242400000000, 0.0002965700000000 ] - [ 0.0005165500000000, 0.0000762600000000, -0.0004419400000000 ] - [ -0.0000465500000000, 0.0001227700000000, 0.0004713400000000 ] - [ -0.0000715000000000, -0.0001732200000000, 0.0004842300000000 ] - [ -0.0000077700000000, 0.0000391900000000, 0.0001072500000000 ] - [ -0.0001029700000000, -0.0000000100000000, -0.0002603600000000 ] - [ -0.0000077700000000, -0.0000395200000000, 0.0001092600000000 ] - [ -0.0003435800000000, -0.0000003800000000, -0.0005090100000000 ] - [ -0.0001294100000000, -0.0001108900000000, -0.0003337900000000 ] - [ -0.0001935500000000, 0.0000001900000000, 0.0000087400000000 ] - [ -0.0002188600000000, 0.0000010300000000, -0.0000691200000000 ] - [ -0.0000847900000000, 0.0000084100000000, -0.0001648200000000 ] - [ -0.0004491200000000, 0.0000041700000000, -0.0003555800000000 ] - [ -0.0001286700000000, 0.0001111900000000, -0.0003349900000000 ] - [ -0.0000845900000000, 0.0000008600000000, -0.0002258900000000 ] - [ -0.0000849300000000, -0.0000082400000000, -0.0001647400000000 ] - [ 0.0000414300000000, 0.0009273900000000, 0.0002208400000000 ] - [ 0.0001806600000000, -0.0000011500000000, -0.0001032900000000 ] - [ 0.0002885000000000, -0.0000009100000000, 0.0001058700000000 ] - [ -0.0000039700000000, -0.0007066000000000, 0.0001022500000000 ] - [ -0.0000496700000000, -0.0001535500000000, 0.0000395800000000 ] - [ 0.0001362700000000, -0.0001403400000000, -0.0003989500000000 ] - [ -0.0001187800000000, -0.0000191200000000, -0.0003789200000000 ] - [ -0.0000731900000000, 0.0001218900000000, 0.0000160400000000 ] - [ -0.0000172500000000, 0.0016815300000000, 0.0001175600000000 ] - [ -0.0006368700000000, 0.0014862600000000, -0.0072676300000000 ] - [ 0.0007451900000000, -0.0002482800000000, -0.0006658800000000 ] - [ 0.0000558700000000, 0.0005290900000000, -0.0003918500000000 ] - [ 0.0060882300000000, 0.0054545800000000, 0.0178402800000000 ] - [ 0.0015731700000000, 0.0530386400000000, 0.0017491600000000 ] - [ 0.0001279300000000, -0.0004911100000000, -0.0003551000000000 ] - [ 0.0045713300000000, 0.0020624600000000, -0.0003252000000000 ] - [ 0.0001156400000000, 0.0000460800000000, -0.0000100300000000 ] - [ 0.0001415400000000, -0.0002265500000000, 0.0009170500000000 ] - [ -0.0073290500000000, 0.0016810500000000, 0.0013887500000000 ] - [ -0.0000860100000000, -0.0000166400000000, 0.0004276500000000 ] - [ 0.0022383600000000, -0.0034896900000000, -0.0017978800000000 ] - [ -0.0000498100000000, -0.0001414400000000, 0.0003255400000000 ] - [ -0.0003687700000000, -0.0001684300000000, 0.0008475200000000 ] - [ -0.0008153900000000, 0.0013270500000000, 0.0015743000000000 ] - [ 0.0001185300000000, 0.0000183200000000, 0.0002771600000000 ] - [ 0.0001867800000000, -0.0000018500000000, 0.0000789300000000 ] - [ -0.0000734900000000, 0.0001755400000000, 0.0004615300000000 ] - [ -0.0000761800000000, -0.0001129700000000, 0.0004994000000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001480500000000, 0.0000013000000000, 0.0003093400000000 ] - [ -0.0000634400000000, -0.0000009300000000, -0.0003912100000000 ] - [ 0.0000797000000000, 0.0000380200000000, -0.0000366200000000 ] - [ -0.0001140900000000, 0.0000011400000000, -0.0003566100000000 ] - [ 0.0000804400000000, -0.0000363600000000, -0.0000358800000000 ] - [ -0.0000156900000000, 0.0000231800000000, -0.0000037800000000 ] - [ -0.0000977900000000, -0.0000005800000000, 0.0000819500000000 ] - [ -0.0000076300000000, -0.0000250000000000, 0.0000036200000000 ] - [ -0.0000983100000000, -0.0000005900000000, 0.0000579900000000 ] - [ 0.0001161200000000, -0.0000203100000000, 0.0000846400000000 ] - [ 0.0005976200000000, -0.0030133400000000, 0.0002513200000000 ] - [ -0.0022625300000000, -0.0003633700000000, -0.0018833600000000 ] - [ 0.0003045800000000, 0.0000097600000000, -0.0000776900000000 ] - [ 0.0011784700000000, -0.0000719300000000, 0.0005935900000000 ] - [ -0.0000601500000000, 0.0031932900000000, -0.0008635400000000 ] - [ 0.0016757700000000, -0.0000586300000000, 0.0008263200000000 ] - [ 0.0040836300000000, 0.0110752500000000, 0.0027827000000000 ] - [ -0.0002746300000000, -0.0000370400000000, 0.0001118100000000 ] - [ -0.0001532600000000, -0.0001416000000000, 0.0004268800000000 ] - [ -0.0022715000000000, -0.0002914900000000, -0.0011254200000000 ] - [ -0.0030765300000000, -0.0209165100000000, -0.0028308000000000 ] - [ -0.0001007600000000, -0.0001043400000000, 0.0005159500000000 ] - [ 0.0031622100000000, 0.0019311000000000, -0.0033478000000000 ] - [ 0.0000557800000000, 0.0000096900000000, -0.0001059400000000 ] - [ 0.0001437100000000, 0.0000024000000000, 0.0003042500000000 ] - [ -0.0000640700000000, -0.0000013900000000, -0.0003899100000000 ] - [ 0.0000794500000000, 0.0000367100000000, -0.0000373000000000 ] - [ -0.0001193700000000, 0.0000008800000000, -0.0003574400000000 ] - [ 0.0000806800000000, -0.0000371500000000, -0.0000355300000000 ] - [ -0.0000245000000000, 0.0000158600000000, 0.0000087600000000 ] - [ -0.0000981100000000, -0.0000011000000000, 0.0000852900000000 ] - [ -0.0000180100000000, -0.0000168000000000, 0.0000141000000000 ] - [ -0.0000995900000000, -0.0000002700000000, 0.0000603100000000 ] - [ 0.0000264400000000, -0.0000611400000000, -0.0000349700000000 ] - [ 0.0002503400000000, 0.0001430900000000, -0.0003330400000000 ] - [ 0.0115053900000000, -0.0383825100000000, -0.0164392000000000 ] - [ 0.0002357200000000, 0.0000178200000000, -0.0002852500000000 ] - [ -0.0010248000000000, -0.0200387200000000, 0.0008299100000000 ] - [ 0.0001730100000000, -0.0001497000000000, -0.0003484100000000 ] - [ 0.0002905400000000, -0.0007985100000000, -0.0001926900000000 ] - [ 0.0011078900000000, -0.0030585100000000, 0.0002609300000000 ] - [ -0.0001115200000000, -0.0000808900000000, 0.0003079800000000 ] - [ -0.0001589600000000, 0.0000949900000000, 0.0004889800000000 ] - [ 0.0001704200000000, -0.0009500900000000, 0.0004309600000000 ] - [ -0.0004758400000000, 0.0031379100000000, -0.0000420600000000 ] - [ -0.0000642700000000, 0.0001434200000000, 0.0005217600000000 ] - [ 0.0007137600000000, -0.0000171200000000, 0.0008634500000000 ] - [ 0.0000552600000000, 0.0000145500000000, -0.0001310700000000 ] - [ -0.0001349400000000, 0.0000503000000000, -0.0001993600000000 ] - [ -0.0268810300000000, -0.0456967000000000, -0.0215445200000000 ] - [ -0.0000772700000000, -0.0002305200000000, 0.0026933700000000 ] - [ -0.0021072700000000, 0.0014007500000000, 0.0023159600000000 ] - [ -0.0001453900000000, 0.0000082300000000, -0.0003501000000000 ] - [ 0.0016402200000000, -0.0002416900000000, -0.0009620600000000 ] - [ 0.0001521200000000, 0.0000783600000000, 0.0004557500000000 ] - [ -0.0015975100000000, -0.0002909400000000, -0.0013558700000000 ] - [ -0.0000080900000000, 0.0000344900000000, 0.0001081500000000 ] - [ -0.0001021300000000, 0.0000001100000000, -0.0002625400000000 ] - [ -0.0000071500000000, -0.0000349100000000, 0.0001053000000000 ] - [ -0.0003399600000000, 0.0000004600000000, -0.0005165900000000 ] - [ -0.0001285900000000, -0.0001156100000000, -0.0003330300000000 ] - [ -0.0001946000000000, -0.0000001200000000, 0.0000109400000000 ] - [ -0.0002237000000000, -0.0000011000000000, -0.0000596900000000 ] - [ -0.0000845800000000, 0.0000070200000000, -0.0001644200000000 ] - [ -0.0004412400000000, -0.0000043700000000, -0.0003840400000000 ] - [ -0.0001287800000000, 0.0001155900000000, -0.0003319400000000 ] - [ -0.0000814400000000, -0.0000008900000000, -0.0002316800000000 ] - [ -0.0000844500000000, -0.0000070200000000, -0.0001645100000000 ] - [ 0.0000639100000000, 0.0001166200000000, -0.0001457800000000 ] - [ 0.0001587000000000, 0.0000057700000000, -0.0000296800000000 ] - [ 0.0002835900000000, 0.0000009200000000, 0.0001175500000000 ] - [ -0.0001351200000000, -0.0000761300000000, 0.0000590400000000 ] - [ -0.0000354800000000, -0.0001734700000000, 0.0000058900000000 ] - [ -0.0013615700000000, -0.0017915800000000, -0.0042465200000000 ] - [ 0.0001593000000000, -0.0000846500000000, -0.0007659300000000 ] - [ -0.0000702000000000, 0.0001365500000000, 0.0000318700000000 ] - [ 0.0263459900000000, 0.1929701800000000, 0.0443356800000000 ] - [ 0.0002981200000000, -0.0000604800000000, -0.0005061100000000 ] - [ 0.0001777800000000, -0.0000142300000000, -0.0002978800000000 ] - [ 0.0009974000000000, 0.0033679600000000, -0.0026046700000000 ] - [ -0.0002273400000000, -0.0001020200000000, 0.0006309500000000 ] - [ -0.0000709100000000, 0.0013525900000000, 0.0001871900000000 ] - [ -0.0007422700000000, -0.0010433400000000, 0.0008387700000000 ] - [ -0.0193252500000000, -0.0058650700000000, -0.0003374300000000 ] - [ 0.0002020100000000, -0.0006692500000000, 0.0005002200000000 ] - [ 0.0048204900000000, -0.0063395800000000, 0.0098673300000000 ] - [ 0.0111294900000000, -0.0060662300000000, 0.0018701900000000 ] - [ -0.0000638100000000, 0.0000076100000000, 0.0003182400000000 ] - [ 0.0000901400000000, -0.0019759900000000, 0.0007816800000000 ] - [ 0.0000862200000000, 0.0004660200000000, 0.0002845700000000 ] - [ 0.0000458600000000, -0.0000030900000000, 0.0005527500000000 ] - [ 0.0001716600000000, 0.0016048600000000, 0.0006915300000000 ] - [ 0.0000736000000000, -0.0000239100000000, 0.0003794700000000 ] - [ -0.0001158500000000, -0.0000734800000000, 0.0005225400000000 ] - [ -0.0000917800000000, 0.0001263000000000, 0.0004913700000000 ] - [ -0.0000678800000000, -0.0000750900000000, 0.0004790600000000 ] - [ -0.0000075800000000, 0.0000348800000000, 0.0001079000000000 ] - [ -0.0001009700000000, -0.0000002500000000, -0.0002625300000000 ] - [ -0.0000077900000000, -0.0000344300000000, 0.0001056500000000 ] - [ -0.0003417800000000, 0.0000003600000000, -0.0005148900000000 ] - [ -0.0001311600000000, -0.0001154600000000, -0.0003367500000000 ] - [ -0.0001958400000000, -0.0000000700000000, 0.0000105700000000 ] - [ -0.0002206800000000, -0.0000007900000000, -0.0000617100000000 ] - [ -0.0000843700000000, 0.0000074900000000, -0.0001656100000000 ] - [ -0.0004522700000000, -0.0000039200000000, -0.0003893300000000 ] - [ -0.0001317400000000, 0.0001153700000000, -0.0003356200000000 ] - [ -0.0000793800000000, -0.0000007000000000, -0.0002330800000000 ] - [ -0.0000842300000000, -0.0000074500000000, -0.0001656600000000 ] - [ -0.0000899900000000, -0.0008450400000000, -0.0003392700000000 ] - [ 0.0002136000000000, 0.0000010500000000, -0.0000626200000000 ] - [ 0.0002886200000000, 0.0000009500000000, 0.0001106000000000 ] - [ -0.0000457500000000, 0.0006241300000000, -0.0002240000000000 ] - [ -0.0000561000000000, -0.0001433700000000, 0.0000052900000000 ] - [ -0.0002456600000000, 0.0001371700000000, 0.0005283100000000 ] - [ -0.0002482100000000, 0.0000186900000000, -0.0003068700000000 ] - [ -0.0000311500000000, 0.0001759000000000, 0.0000275400000000 ] - [ -0.0000285500000000, -0.0017751100000000, 0.0001868100000000 ] - [ 0.0009031800000000, -0.0015078500000000, 0.0067426300000000 ] - [ -0.0003993900000000, 0.0002433800000000, 0.0002280900000000 ] - [ -0.0002401600000000, -0.0005928000000000, -0.0006278200000000 ] - [ -0.0058523000000000, -0.0055561000000000, -0.0174351400000000 ] - [ -0.0015837200000000, -0.0521739100000000, -0.0014110200000000 ] - [ -0.0003110600000000, 0.0005546300000000, -0.0006641200000000 ] - [ -0.0050035100000000, -0.0020518100000000, -0.0000725300000000 ] - [ -0.0000710200000000, 0.0002776700000000, 0.0004074300000000 ] - [ 0.0006716300000000, 0.0002228400000000, -0.0006191000000000 ] - [ 0.0074129800000000, -0.0017014000000000, -0.0016417300000000 ] - [ -0.0000023500000000, 0.0000162600000000, 0.0003151100000000 ] - [ -0.0021953500000000, 0.0038869400000000, 0.0026555000000000 ] - [ 0.0000901200000000, -0.0001856800000000, 0.0000804600000000 ] - [ 0.0005033900000000, 0.0001649400000000, 0.0002567200000000 ] - [ 0.0007945300000000, -0.0017118200000000, -0.0006416200000000 ] - [ -0.0000044600000000, -0.0000176600000000, 0.0003984800000000 ] - [ 0.0002167300000000, 0.0000017400000000, 0.0000004500000000 ] - [ -0.0000659700000000, 0.0000730800000000, 0.0005011900000000 ] - [ -0.0000629200000000, -0.0001355800000000, 0.0004640600000000 ]- atom: 77 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0002228800000000, 0.0000064000000000, -0.0022156700000000 ] - [ -0.0000005100000000, -0.0000028000000000, -0.0025886500000000 ] - [ 0.0000910300000000, 0.0000478300000000, -0.0023306400000000 ] - [ -0.0001445100000000, -0.0000053400000000, -0.0025472900000000 ] - [ 0.0000251100000000, -0.0000538100000000, -0.0022431400000000 ] - [ 0.0000016000000000, 0.0000159800000000, -0.0024588500000000 ] - [ -0.0001561500000000, 0.0000026100000000, -0.0023823500000000 ] - [ -0.0000363700000000, -0.0000148600000000, -0.0024945300000000 ] - [ 0.0000082400000000, 0.0000003500000000, -0.0022825900000000 ] - [ -0.0001121900000000, 0.0002334900000000, -0.0034940100000000 ] - [ -0.0000512300000000, -0.0018169600000000, -0.0076254600000000 ] - [ -0.0021192000000000, -0.0000995800000000, 0.0049811100000000 ] - [ -0.0000356100000000, -0.0000377000000000, -0.0016660800000000 ] - [ -0.0014239500000000, -0.0001723500000000, 0.0057358400000000 ] - [ 0.0037463200000000, 0.0020089500000000, -0.0043141300000000 ] - [ -0.0045121500000000, 0.0002758800000000, -0.0009456900000000 ] - [ -0.0035117500000000, -0.0022134500000000, 0.0138849700000000 ] - [ 0.0002531700000000, -0.0002475700000000, -0.0027901900000000 ] - [ 0.0006017500000000, 0.0001621000000000, -0.0020467500000000 ] - [ -0.0051097000000000, -0.0007937000000000, -0.0016693500000000 ] - [ 0.0236912100000000, 0.0004016200000000, 0.0429444000000000 ] - [ -0.0011925600000000, -0.0001880600000000, -0.0014763900000000 ] - [ 0.0051266600000000, 0.0034754600000000, -0.0032097600000000 ] - [ 0.0000307000000000, 0.0000436500000000, -0.0030418600000000 ] - [ 0.0000889200000000, 0.0000094600000000, -0.0024334300000000 ] - [ -0.0000664900000000, -0.0000030100000000, -0.0026689600000000 ] - [ 0.0000211200000000, 0.0000540000000000, -0.0022458600000000 ] - [ -0.0000013700000000, -0.0000039900000000, -0.0026450700000000 ] - [ 0.0000937600000000, -0.0000475400000000, -0.0023268600000000 ] - [ -0.0003605700000000, -0.0000176700000000, -0.0027791100000000 ] - [ -0.0002488500000000, 0.0000028800000000, -0.0024454400000000 ] - [ -0.0003981100000000, 0.0000190900000000, -0.0028141900000000 ] - [ -0.0000120000000000, 0.0000005500000000, -0.0023973100000000 ] - [ 0.0003029700000000, 0.0003025700000000, -0.0019521300000000 ] - [ -0.0000859000000000, 0.0001780500000000, 0.0002377100000000 ] - [ -0.0029529100000000, 0.0133907900000000, 0.0391159300000000 ] - [ 0.0006955900000000, -0.0000605100000000, -0.0032356700000000 ] - [ 0.0072855200000000, 0.0052772800000000, 0.0237919600000000 ] - [ 0.0002817200000000, -0.0001611000000000, 0.0003358900000000 ] - [ 0.0044678800000000, 0.0033619500000000, -0.0022199300000000 ] - [ 0.0025290600000000, 0.0001616700000000, 0.0081618600000000 ] - [ -0.0000183600000000, -0.0002481900000000, -0.0013112100000000 ] - [ -0.0015018900000000, 0.0002156000000000, -0.0016583200000000 ] - [ 0.0031332000000000, -0.0026161100000000, -0.0007702400000000 ] - [ 0.0005008600000000, -0.0000715100000000, 0.0063031800000000 ] - [ 0.0008916700000000, -0.0001508300000000, -0.0017692800000000 ] - [ -0.0021660900000000, 0.0000210000000000, 0.0010760800000000 ] - [ 0.0001014900000000, 0.0000418200000000, -0.0025432700000000 ] - [ 0.0007967300000000, -0.0002545400000000, -0.0018325000000000 ] - [ 0.0137576300000000, 0.0229204200000000, 0.0230461200000000 ] - [ 0.0003979800000000, 0.0007392500000000, -0.0050656200000000 ] - [ 0.0043490700000000, -0.0026230600000000, 0.0039994300000000 ] - [ -0.0011117000000000, -0.0001508400000000, -0.0019988400000000 ] - [ -0.0002005000000000, 0.0003289700000000, 0.0042502400000000 ] - [ 0.0004116900000000, 0.0002439600000000, 0.0005424200000000 ] - [ -0.0060958800000000, 0.0015503200000000, 0.0024084800000000 ] - [ 0.0000962900000000, 0.0003228700000000, 0.0015370200000000 ] - [ -0.0000797600000000, 0.0000012200000000, 0.0015732000000000 ] - [ 0.0002046700000000, -0.0003320000000000, 0.0015720600000000 ] - [ -0.0006587000000000, 0.0000018000000000, 0.0008814600000000 ] - [ 0.0000095300000000, -0.0002457300000000, 0.0011160000000000 ] - [ -0.0002818000000000, -0.0000008800000000, 0.0015805800000000 ] - [ -0.0002220500000000, -0.0000031100000000, 0.0017915800000000 ] - [ -0.0000855900000000, -0.0000722800000000, 0.0014128200000000 ] - [ -0.0007637500000000, 0.0000203200000000, 0.0011840700000000 ] - [ 0.0000114300000000, 0.0002451200000000, 0.0011094700000000 ] - [ -0.0001994800000000, 0.0000043400000000, 0.0013008600000000 ] - [ -0.0000846700000000, 0.0000723300000000, 0.0014100800000000 ] - [ -0.0017519400000000, -0.0000921200000000, 0.0012864400000000 ] - [ -0.0002730100000000, -0.0000313700000000, 0.0015554300000000 ] - [ 0.0000610700000000, -0.0000044600000000, 0.0017946000000000 ] - [ -0.0008387100000000, -0.0001798100000000, 0.0003612900000000 ] - [ 0.0002270900000000, 0.0000066200000000, 0.0019248300000000 ] - [ 0.0027041400000000, 0.0036944100000000, 0.0049754100000000 ] - [ -0.0006760700000000, 0.0003196500000000, 0.0019132400000000 ] - [ 0.0000934400000000, 0.0000443700000000, 0.0011356800000000 ] - [ -0.0506540200000000, -0.0475314000000000, -0.1574985600000000 ] - [ -0.0001203800000000, 0.0002642200000000, -0.0023607400000000 ] - [ 0.0007424900000000, 0.0000405500000000, -0.0000296500000000 ] - [ -0.0101610700000000, -0.0023471300000000, 0.0096104400000000 ] - [ -0.0001133100000000, -0.0003512100000000, -0.0028980300000000 ] - [ 0.0008509300000000, 0.0000719700000000, -0.0034350100000000 ] - [ -0.0030340900000000, -0.0013993100000000, -0.0025202600000000 ] - [ 0.0026473500000000, 0.0015396900000000, -0.0120883000000000 ] - [ 0.0015235800000000, 0.0004985400000000, 0.0036183600000000 ] - [ 0.0068413500000000, -0.0081580200000000, 0.0083021500000000 ] - [ 0.0013698300000000, -0.0008191900000000, -0.0072246100000000 ] - [ 0.0003293400000000, 0.0000798700000000, 0.0026670200000000 ] - [ 0.0033768400000000, 0.0005768300000000, -0.0019097400000000 ] - [ 0.0010669900000000, -0.0002778600000000, 0.0025203000000000 ] - [ 0.0010387700000000, 0.0000416400000000, 0.0011205200000000 ] - [ 0.0032037700000000, -0.0004845900000000, -0.0011871400000000 ] - [ 0.0000808800000000, -0.0000786600000000, 0.0018645300000000 ] - [ -0.0005933600000000, -0.0001959600000000, 0.0022476600000000 ] - [ 0.0000869500000000, -0.0001248700000000, 0.0016846700000000 ] - [ -0.0000035000000000, 0.0002037800000000, 0.0020542600000000 ] - [ 0.0002044000000000, 0.0003343600000000, 0.0015835100000000 ] - [ -0.0000707600000000, 0.0000014300000000, 0.0015803600000000 ] - [ 0.0000978100000000, -0.0003214100000000, 0.0015282100000000 ] - [ -0.0006755700000000, 0.0000017000000000, 0.0009903300000000 ] - [ 0.0001316900000000, -0.0002218200000000, 0.0011458000000000 ] - [ -0.0002840900000000, -0.0000008000000000, 0.0015785600000000 ] - [ -0.0002086700000000, -0.0000034500000000, 0.0019645000000000 ] - [ -0.0000480800000000, -0.0000797500000000, 0.0014821600000000 ] - [ -0.0003921500000000, 0.0000222400000000, 0.0012831700000000 ] - [ 0.0001343700000000, 0.0002208000000000, 0.0011369100000000 ] - [ -0.0001349300000000, 0.0000037200000000, 0.0014481200000000 ] - [ -0.0000467900000000, 0.0000798200000000, 0.0014786900000000 ] - [ 0.0015553300000000, -0.0002748500000000, 0.0031729600000000 ] - [ 0.0005260500000000, -0.0000419600000000, 0.0016824800000000 ] - [ 0.0001155900000000, -0.0000041900000000, 0.0019692200000000 ] - [ 0.0011394900000000, 0.0000568600000000, 0.0021987300000000 ] - [ 0.0000253700000000, -0.0000109800000000, 0.0012617300000000 ] - [ -0.0012036200000000, -0.0004772700000000, -0.0015366500000000 ] - [ 0.0000370800000000, -0.0000855300000000, -0.0000628800000000 ] - [ 0.0002405200000000, 0.0000074700000000, 0.0018167700000000 ] - [ 0.0012124100000000, -0.0000784600000000, -0.0033737300000000 ] - [ 0.0021499000000000, -0.0095446700000000, 0.0123834400000000 ] - [ -0.0008328900000000, -0.0005723000000000, 0.0030611900000000 ] - [ 0.0017280100000000, -0.0001001400000000, -0.0023938200000000 ] - [ 0.0122508900000000, 0.0224187400000000, 0.0223409600000000 ] - [ -0.0027841400000000, -0.0018357300000000, -0.0145446400000000 ] - [ 0.0019456100000000, 0.0001599500000000, -0.0020668600000000 ] - [ 0.0013734400000000, 0.0007814100000000, -0.0063392800000000 ] - [ -0.0010866200000000, 0.0003209600000000, 0.0015403500000000 ] - [ -0.0000425300000000, 0.0005452700000000, -0.0023952600000000 ] - [ 0.0029080900000000, -0.0016827900000000, -0.0079743500000000 ] - [ -0.0003371100000000, 0.0000512700000000, 0.0022283000000000 ] - [ -0.0115789800000000, 0.0013674700000000, 0.0068599000000000 ] - [ -0.0006111300000000, 0.0000009800000000, 0.0005992500000000 ] - [ -0.0010828800000000, 0.0002868100000000, 0.0026392900000000 ] - [ -0.0030001600000000, 0.0000865100000000, -0.0022328000000000 ] - [ -0.0005779400000000, -0.0000505600000000, 0.0016875900000000 ] - [ 0.0008319700000000, 0.0000065300000000, 0.0006959400000000 ] - [ -0.0000340100000000, -0.0002255500000000, 0.0021443000000000 ] - [ 0.0001744800000000, 0.0000988300000000, 0.0016045000000000 ]- atom: 77 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0000665600000000, -0.0000061400000000, 0.0028087500000000 ] - [ -0.0001235800000000, 0.0000029600000000, 0.0018124000000000 ] - [ 0.0000692300000000, 0.0000312000000000, 0.0022589900000000 ] - [ -0.0000833800000000, 0.0000055500000000, 0.0018361000000000 ] - [ 0.0001344400000000, -0.0000248700000000, 0.0021721000000000 ] - [ -0.0000404700000000, -0.0000072600000000, 0.0024725300000000 ] - [ -0.0000426800000000, -0.0000024700000000, 0.0025484300000000 ] - [ -0.0000024400000000, 0.0000064900000000, 0.0025083500000000 ] - [ -0.0002053700000000, -0.0000001900000000, 0.0024051900000000 ] - [ 0.0001059500000000, -0.0002342700000000, 0.0034525100000000 ] - [ 0.0002403700000000, 0.0016774700000000, 0.0069194000000000 ] - [ 0.0022290500000000, 0.0001058600000000, -0.0053580600000000 ] - [ 0.0006434100000000, 0.0000379200000000, 0.0014380200000000 ] - [ 0.0014782900000000, 0.0001771900000000, -0.0064382500000000 ] - [ -0.0035754800000000, -0.0018685900000000, 0.0035816300000000 ] - [ 0.0052473900000000, -0.0002767900000000, 0.0006116700000000 ] - [ 0.0036214500000000, 0.0022982300000000, -0.0137312400000000 ] - [ -0.0004920600000000, 0.0002457400000000, 0.0033736600000000 ] - [ -0.0008151800000000, 0.0000727500000000, 0.0029959100000000 ] - [ 0.0054894200000000, 0.0007851200000000, 0.0027661600000000 ] - [ -0.0214391500000000, -0.0006354000000000, -0.0417266200000000 ] - [ 0.0009687500000000, -0.0000468600000000, 0.0024277000000000 ] - [ -0.0046946500000000, -0.0034583700000000, 0.0039684200000000 ] - [ 0.0000339800000000, -0.0000431300000000, 0.0027899500000000 ] - [ 0.0001997400000000, -0.0000092600000000, 0.0030248200000000 ] - [ -0.0000580300000000, 0.0000031700000000, 0.0018925000000000 ] - [ 0.0001384300000000, 0.0000250400000000, 0.0021746800000000 ] - [ -0.0002274300000000, 0.0000042100000000, 0.0019344100000000 ] - [ 0.0000665100000000, -0.0000311300000000, 0.0022553700000000 ] - [ 0.0003233200000000, 0.0000265400000000, 0.0027944900000000 ] - [ 0.0000506300000000, -0.0000027300000000, 0.0026116100000000 ] - [ 0.0003609500000000, -0.0000276100000000, 0.0028297700000000 ] - [ -0.0001853300000000, -0.0000003700000000, 0.0025202300000000 ] - [ -0.0003098700000000, -0.0003034400000000, 0.0019021600000000 ] - [ 0.0002836300000000, -0.0003263900000000, -0.0009898200000000 ] - [ 0.0024318000000000, -0.0125202600000000, -0.0390064100000000 ] - [ -0.0000920400000000, 0.0000607100000000, 0.0030139600000000 ] - [ -0.0067353100000000, -0.0044647600000000, -0.0252808100000000 ] - [ -0.0000852000000000, 0.0003096100000000, -0.0010874900000000 ] - [ -0.0037723500000000, -0.0033760900000000, 0.0018845400000000 ] - [ -0.0024247400000000, -0.0000844700000000, -0.0081064500000000 ] - [ -0.0002239900000000, 0.0002475300000000, 0.0019039100000000 ] - [ 0.0012759800000000, 0.0000197500000000, 0.0026081800000000 ] - [ -0.0027103800000000, 0.0026053800000000, 0.0018749000000000 ] - [ -0.0003923000000000, -0.0000028500000000, -0.0062507800000000 ] - [ -0.0011037500000000, -0.0000836500000000, 0.0027197200000000 ] - [ 0.0025501000000000, -0.0000208700000000, -0.0002969000000000 ] - [ -0.0000369600000000, -0.0000415200000000, 0.0022945200000000 ] - [ -0.0009685500000000, 0.0002499900000000, 0.0014079400000000 ] - [ -0.0139779900000000, -0.0234701000000000, -0.0230009800000000 ] - [ -0.0001307600000000, -0.0007386000000000, 0.0060748500000000 ] - [ -0.0043895200000000, 0.0026448700000000, -0.0045560600000000 ] - [ 0.0009496400000000, 0.0001456100000000, 0.0015761600000000 ] - [ 0.0002790200000000, -0.0003424400000000, -0.0042458000000000 ] - [ -0.0001466100000000, -0.0002485100000000, 0.0004901600000000 ] - [ 0.0061097300000000, -0.0015601600000000, -0.0029605200000000 ] - [ -0.0001124300000000, -0.0002492400000000, -0.0013203400000000 ] - [ -0.0001241700000000, -0.0000010000000000, -0.0020950700000000 ] - [ -0.0002199600000000, 0.0002583300000000, -0.0013554700000000 ] - [ -0.0000260400000000, -0.0000017200000000, -0.0019044900000000 ] - [ -0.0002716900000000, 0.0000191900000000, -0.0017859300000000 ] - [ -0.0001072600000000, 0.0000010700000000, -0.0015599000000000 ] - [ -0.0002174100000000, 0.0000032900000000, -0.0019221000000000 ] - [ -0.0000836500000000, 0.0000881900000000, -0.0017421400000000 ] - [ -0.0001400000000000, -0.0000203000000000, -0.0019295800000000 ] - [ -0.0002734700000000, -0.0000182500000000, -0.0017793900000000 ] - [ 0.0000355900000000, -0.0000041400000000, -0.0017592600000000 ] - [ -0.0000845000000000, -0.0000878900000000, -0.0017394200000000 ] - [ 0.0017115300000000, 0.0001770600000000, -0.0014031700000000 ] - [ 0.0006696200000000, 0.0000316400000000, -0.0017234000000000 ] - [ 0.0005177000000000, 0.0000046300000000, -0.0015785700000000 ] - [ 0.0007926100000000, 0.0000961900000000, -0.0004716500000000 ] - [ -0.0003316600000000, -0.0003049900000000, -0.0018856800000000 ] - [ -0.0028356400000000, -0.0037484500000000, -0.0048966200000000 ] - [ 0.0003156300000000, -0.0003209200000000, -0.0026040800000000 ] - [ -0.0001981100000000, 0.0002538600000000, -0.0010928800000000 ] - [ 0.0487484900000000, 0.0463364000000000, 0.1565819900000000 ] - [ 0.0003852600000000, -0.0002663000000000, 0.0018899500000000 ] - [ -0.0004039000000000, -0.0000408600000000, -0.0004028700000000 ] - [ 0.0101085800000000, 0.0023008900000000, -0.0107522000000000 ] - [ 0.0003310000000000, 0.0003485100000000, 0.0031920300000000 ] - [ -0.0008944200000000, 0.0000166000000000, 0.0037373200000000 ] - [ 0.0028719400000000, 0.0014679800000000, 0.0015307400000000 ] - [ -0.0032036700000000, -0.0016412600000000, 0.0116489100000000 ] - [ -0.0014731700000000, -0.0001706500000000, -0.0031987900000000 ] - [ -0.0059347200000000, 0.0080098200000000, -0.0078791000000000 ] - [ -0.0013138200000000, 0.0008455600000000, 0.0069227700000000 ] - [ -0.0004156000000000, -0.0000788200000000, -0.0019211600000000 ] - [ -0.0033668600000000, -0.0002027200000000, 0.0027870500000000 ] - [ -0.0010212100000000, -0.0000478800000000, -0.0021134000000000 ] - [ -0.0008993500000000, -0.0000411300000000, -0.0000199500000000 ] - [ -0.0032020900000000, 0.0001116200000000, 0.0020747600000000 ] - [ 0.0000349900000000, 0.0000781700000000, -0.0011866100000000 ] - [ 0.0009910500000000, 0.0001961900000000, -0.0021673400000000 ] - [ -0.0002254800000000, 0.0003736400000000, -0.0007214500000000 ] - [ -0.0001361000000000, -0.0004516900000000, -0.0010890500000000 ] - [ -0.0002195000000000, -0.0002603900000000, -0.0013668300000000 ] - [ -0.0001329100000000, -0.0000011800000000, -0.0021023700000000 ] - [ -0.0001137400000000, 0.0002477200000000, -0.0013120900000000 ] - [ -0.0000094300000000, -0.0000016300000000, -0.0020127700000000 ] - [ -0.0003944100000000, -0.0000047300000000, -0.0018159200000000 ] - [ -0.0001054000000000, 0.0000009900000000, -0.0015577800000000 ] - [ -0.0002307400000000, 0.0000037200000000, -0.0020939400000000 ] - [ -0.0001211400000000, 0.0000956000000000, -0.0018115000000000 ] - [ -0.0005133300000000, -0.0000221600000000, -0.0020294400000000 ] - [ -0.0003970000000000, 0.0000061400000000, -0.0018069900000000 ] - [ -0.0000290200000000, -0.0000035200000000, -0.0019073100000000 ] - [ -0.0001224100000000, -0.0000952900000000, -0.0018079800000000 ] - [ -0.0016140800000000, 0.0003623400000000, -0.0033033900000000 ] - [ -0.0001333400000000, 0.0000423600000000, -0.0018513300000000 ] - [ 0.0004628900000000, 0.0000043400000000, -0.0017540500000000 ] - [ -0.0011938700000000, -0.0001426500000000, -0.0023200600000000 ] - [ -0.0001296700000000, -0.0002870700000000, -0.0012193100000000 ] - [ 0.0011040600000000, 0.0004804800000000, 0.0016788400000000 ] - [ -0.0004034000000000, 0.0000861900000000, -0.0006186900000000 ] - [ -0.0003454200000000, 0.0002910900000000, -0.0017772000000000 ] - [ -0.0012553500000000, -0.0000119700000000, 0.0036748300000000 ] - [ -0.0019302600000000, 0.0096895500000000, -0.0130648700000000 ] - [ 0.0011823200000000, 0.0005747400000000, -0.0035058400000000 ] - [ -0.0019151200000000, 0.0000378400000000, 0.0013945300000000 ] - [ -0.0118080800000000, -0.0219882100000000, -0.0216115200000000 ] - [ 0.0027301600000000, 0.0017426600000000, 0.0148359300000000 ] - [ -0.0021343100000000, -0.0000984200000000, 0.0010638300000000 ] - [ -0.0017210400000000, -0.0007700600000000, 0.0059504900000000 ] - [ 0.0011220500000000, 0.0000045900000000, -0.0011385500000000 ] - [ 0.0008550800000000, -0.0005405800000000, 0.0026669100000000 ] - [ -0.0027023300000000, 0.0016442900000000, 0.0076989700000000 ] - [ 0.0002470400000000, -0.0000508600000000, -0.0014858400000000 ] - [ 0.0114286400000000, -0.0009847900000000, -0.0058805000000000 ] - [ 0.0006490600000000, -0.0003253400000000, -0.0002029400000000 ] - [ 0.0012096000000000, -0.0002863000000000, -0.0015316300000000 ] - [ 0.0029777300000000, -0.0004599700000000, 0.0031160400000000 ] - [ 0.0006902200000000, 0.0000505700000000, -0.0010110800000000 ] - [ -0.0004247900000000, -0.0000064200000000, -0.0006235900000000 ] - [ -0.0001060400000000, 0.0004736400000000, -0.0011785300000000 ] - [ -0.0003126000000000, -0.0003472900000000, -0.0006416100000000 ]- atom: 78 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001653500000000, 0.0000000000000000, 0.0002684900000000 ] - [ -0.0000036900000000, 0.0000000000000000, -0.0004067200000000 ] - [ 0.0000886800000000, 0.0000383100000000, 0.0000241100000000 ] - [ 0.0001785200000000, 0.0000000000000000, -0.0002207200000000 ] - [ 0.0000741000000000, -0.0000372900000000, -0.0000586200000000 ] - [ 0.0007918800000000, 0.0001561900000000, -0.0005664600000000 ] - [ -0.0000590900000000, 0.0000000000000000, -0.0001109600000000 ] - [ 0.0007918800000000, -0.0001561900000000, -0.0005664600000000 ] - [ 0.0000094900000000, 0.0000000000000000, -0.0000127200000000 ] - [ -0.0030898500000000, 0.0000000000000000, 0.0007248400000000 ] - [ -0.0074814800000000, -0.0008038200000000, -0.0017012300000000 ] - [ 0.0048628100000000, 0.0000000000000000, 0.0011086400000000 ] - [ 0.0026245700000000, 0.0000000000000000, 0.0051084300000000 ] - [ 0.0597379700000000, 0.0000000000000000, 0.0221385900000000 ] - [ -0.0074814800000000, 0.0008038200000000, -0.0017012300000000 ] - [ -0.0093393800000000, 0.0000000000000000, 0.0072707500000000 ] - [ -0.0014838500000000, -0.0012638400000000, 0.0023582100000000 ] - [ -0.0003104300000000, 0.0000000000000000, 0.0004448000000000 ] - [ -0.0002177700000000, 0.0001553900000000, 0.0003820000000000 ] - [ 0.0003626800000000, 0.0000000000000000, 0.0013016100000000 ] - [ -0.0014838500000000, 0.0012638400000000, 0.0023582100000000 ] - [ -0.0000104100000000, -0.0001034700000000, 0.0006116000000000 ] - [ -0.0010826600000000, 0.0000000000000000, 0.0002090500000000 ] - [ -0.0000299300000000, 0.0000000000000000, -0.0000638900000000 ] - [ 0.0001233400000000, 0.0000000000000000, 0.0003686100000000 ] - [ -0.0001267200000000, 0.0000000000000000, -0.0003310700000000 ] - [ 0.0000741000000000, 0.0000372900000000, -0.0000586200000000 ] - [ -0.0004334000000000, 0.0000000000000000, -0.0004641000000000 ] - [ 0.0000886800000000, -0.0000383100000000, 0.0000241100000000 ] - [ -0.0006114500000000, -0.0003028900000000, 0.0005733300000000 ] - [ -0.0001276500000000, 0.0000000000000000, 0.0002870800000000 ] - [ -0.0006114500000000, 0.0003028900000000, 0.0005733300000000 ] - [ -0.0002048300000000, 0.0000000000000000, 0.0002110100000000 ] - [ 0.0057850700000000, 0.0000000000000000, -0.0032381600000000 ] - [ 0.0292080100000000, -0.0039983900000000, -0.0041971100000000 ] - [ -0.0026506500000000, 0.0000000000000000, -0.0003165400000000 ] - [ -0.0013362800000000, 0.0000000000000000, -0.0015032300000000 ] - [ -0.0053522600000000, 0.0000000000000000, 0.0035487000000000 ] - [ 0.0292080100000000, 0.0039983900000000, -0.0041971100000000 ] - [ -0.0000962600000000, 0.0000000000000000, -0.0028140800000000 ] - [ 0.0005666000000000, -0.0003616500000000, -0.0024059500000000 ] - [ 0.0000910400000000, 0.0000000000000000, 0.0001920700000000 ] - [ -0.0000104100000000, 0.0001034700000000, 0.0006116000000000 ] - [ 0.0000875200000000, 0.0000000000000000, -0.0000428300000000 ] - [ 0.0005666000000000, 0.0003616500000000, -0.0024059500000000 ] - [ -0.0002177700000000, -0.0001553900000000, 0.0003820000000000 ] - [ 0.0014155000000000, 0.0000000000000000, 0.0003243200000000 ] - [ 0.0000924700000000, 0.0000000000000000, -0.0001436800000000 ] - [ -0.0011640800000000, 0.0000000000000000, -0.0043404400000000 ] - [ -0.0042678600000000, 0.0000000000000000, -0.0010448100000000 ] - [ -0.0000807300000000, 0.0000000000000000, 0.0007843100000000 ] - [ 0.0774662800000000, 0.0000000000000000, -0.0229571600000000 ] - [ -0.0008642700000000, 0.0000000000000000, 0.0016918500000000 ] - [ 0.0052461400000000, 0.0000000000000000, 0.0025576700000000 ] - [ 0.0003462600000000, 0.0000000000000000, 0.0001889700000000 ] - [ -0.0038776800000000, 0.0000000000000000, -0.0034961400000000 ] - [ -0.0000237600000000, 0.0000376900000000, 0.0001053500000000 ] - [ -0.0001603700000000, 0.0000000000000000, -0.0003116700000000 ] - [ 0.0000051900000000, -0.0000317600000000, 0.0000892200000000 ] - [ -0.0003532400000000, 0.0000000000000000, -0.0004979200000000 ] - [ -0.0000079800000000, -0.0001334900000000, -0.0000680800000000 ] - [ -0.0001223800000000, 0.0000000000000000, 0.0000287900000000 ] - [ -0.0002267000000000, 0.0000000000000000, -0.0000552500000000 ] - [ -0.0001133100000000, 0.0000032400000000, -0.0001156800000000 ] - [ -0.0007951800000000, 0.0000000000000000, 0.0004988100000000 ] - [ -0.0000079800000000, 0.0001334900000000, -0.0000680800000000 ] - [ -0.0003535400000000, 0.0000000000000000, -0.0000961000000000 ] - [ -0.0001133100000000, -0.0000032400000000, -0.0001156800000000 ] - [ -0.0024253900000000, -0.0053633100000000, 0.0081376500000000 ] - [ 0.0003057700000000, 0.0000000000000000, 0.0017735300000000 ] - [ 0.0000520000000000, 0.0000000000000000, 0.0002484100000000 ] - [ -0.0024253900000000, 0.0053633100000000, 0.0081376500000000 ] - [ 0.0010378400000000, -0.0004472400000000, 0.0001478500000000 ] - [ 0.0061969700000000, 0.0000000000000000, -0.0002323400000000 ] - [ 0.0033892700000000, 0.0000000000000000, 0.0008354300000000 ] - [ -0.0019787900000000, -0.0006430200000000, -0.0003395200000000 ] - [ 0.0022853700000000, -0.0002105600000000, -0.0004344700000000 ] - [ -0.2542486800000000, 0.0000000000000000, 0.0050260000000000 ] - [ 0.0036605700000000, 0.0000000000000000, -0.0190573200000000 ] - [ 0.0080471300000000, -0.0042779200000000, 0.0000850900000000 ] - [ -0.0005024700000000, 0.0000000000000000, 0.0010728100000000 ] - [ -0.0040674200000000, 0.0008077400000000, 0.0027756000000000 ] - [ 0.0080471300000000, 0.0042779200000000, 0.0000850900000000 ] - [ -0.0000290000000000, 0.0000000000000000, -0.0022625700000000 ] - [ 0.0000187200000000, 0.0001677800000000, -0.0000371400000000 ] - [ 0.0015449800000000, 0.0000000000000000, -0.0010629800000000 ] - [ 0.0013386400000000, 0.0000000000000000, -0.0065199600000000 ] - [ -0.0000571900000000, 0.0000000000000000, 0.0002713200000000 ] - [ -0.0011222600000000, 0.0006579400000000, -0.0004027100000000 ] - [ 0.0000187200000000, -0.0001677800000000, -0.0000371400000000 ] - [ -0.0001053100000000, 0.0000000000000000, 0.0004250800000000 ] - [ -0.0011222600000000, -0.0006579400000000, -0.0004027100000000 ] - [ 0.0000573800000000, 0.0000000000000000, 0.0002687500000000 ] - [ 0.0004500900000000, 0.0000000000000000, 0.0000710100000000 ] - [ -0.0001504800000000, 0.0001241600000000, 0.0004652200000000 ] - [ 0.0000048900000000, -0.0001350200000000, 0.0004729900000000 ] - [ 0.0000051900000000, 0.0000317600000000, 0.0000892200000000 ] - [ -0.0000420300000000, 0.0000000000000000, -0.0002304400000000 ] - [ -0.0000237600000000, -0.0000376900000000, 0.0001053500000000 ] - [ -0.0003273600000000, 0.0000000000000000, -0.0005473700000000 ] - [ -0.0002552900000000, -0.0000894100000000, -0.0005747700000000 ] - [ -0.0002564500000000, 0.0000000000000000, -0.0000347600000000 ] - [ -0.0002133800000000, 0.0000000000000000, -0.0001100000000000 ] - [ -0.0000632900000000, 0.0000187600000000, -0.0002430300000000 ] - [ -0.0001414100000000, 0.0000000000000000, -0.0009524600000000 ] - [ -0.0002552900000000, 0.0000894100000000, -0.0005747700000000 ] - [ 0.0001576100000000, 0.0000000000000000, -0.0003790900000000 ] - [ -0.0000632900000000, -0.0000187600000000, -0.0002430300000000 ] - [ 0.0033863500000000, 0.0000181100000000, -0.0018579100000000 ] - [ 0.0011740000000000, 0.0000000000000000, -0.0017807200000000 ] - [ 0.0005259300000000, 0.0000000000000000, -0.0002055100000000 ] - [ 0.0033863500000000, -0.0000181100000000, -0.0018579100000000 ] - [ -0.0019787900000000, 0.0006430200000000, -0.0003395200000000 ] - [ -0.0091717800000000, 0.0000000000000000, 0.0009209900000000 ] - [ -0.0050501400000000, 0.0000000000000000, -0.0026348900000000 ] - [ 0.0010378400000000, 0.0004472400000000, 0.0001478500000000 ] - [ -0.0040674200000000, -0.0008077400000000, 0.0027756000000000 ] - [ 0.0078847600000000, 0.0000000000000000, -0.0002812800000000 ] - [ 0.0028984200000000, 0.0000000000000000, 0.0017147100000000 ] - [ 0.0315272200000000, -0.0213170600000000, -0.0003730500000000 ] - [ 0.0007565600000000, 0.0000000000000000, -0.0004546400000000 ] - [ 0.0022853700000000, 0.0002105600000000, -0.0004344700000000 ] - [ 0.0315272200000000, 0.0213170600000000, -0.0003730500000000 ] - [ 0.0006573300000000, 0.0000000000000000, 0.0035801500000000 ] - [ 0.0000173600000000, 0.0001691400000000, 0.0004278400000000 ] - [ -0.0000357000000000, 0.0000000000000000, 0.0009731800000000 ] - [ 0.0010629100000000, 0.0000000000000000, 0.0024333700000000 ] - [ -0.0000321600000000, 0.0000000000000000, 0.0004470700000000 ] - [ 0.0008271300000000, 0.0001228500000000, 0.0011876600000000 ] - [ 0.0000173600000000, -0.0001691400000000, 0.0004278400000000 ] - [ 0.0002304200000000, 0.0000000000000000, 0.0006754300000000 ] - [ 0.0008271300000000, -0.0001228500000000, 0.0011876600000000 ] - [ 0.0000695600000000, 0.0000000000000000, 0.0003795100000000 ] - [ -0.0000331400000000, 0.0000000000000000, -0.0000955600000000 ] - [ 0.0000048900000000, 0.0001350200000000, 0.0004729900000000 ] - [ -0.0001504800000000, -0.0001241600000000, 0.0004652200000000 ]- atom: 78 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001240200000000, 0.0000000000000000, 0.0003206200000000 ] - [ -0.0001197400000000, 0.0000000000000000, -0.0003749800000000 ] - [ 0.0000718100000000, 0.0000409200000000, -0.0001007000000000 ] - [ -0.0004036900000000, 0.0000000000000000, -0.0004957500000000 ] - [ 0.0000856600000000, -0.0000419200000000, -0.0000180200000000 ] - [ -0.0008325000000000, -0.0001461100000000, 0.0005714100000000 ] - [ -0.0001406200000000, 0.0000000000000000, 0.0002714500000000 ] - [ -0.0008325000000000, 0.0001461100000000, 0.0005714100000000 ] - [ -0.0002059000000000, 0.0000000000000000, 0.0001300300000000 ] - [ 0.0030936800000000, 0.0000000000000000, -0.0007577100000000 ] - [ 0.0076934200000000, 0.0006571400000000, 0.0009996100000000 ] - [ -0.0048089400000000, 0.0000000000000000, -0.0015267600000000 ] - [ -0.0020141700000000, 0.0000000000000000, -0.0053690600000000 ] - [ -0.0571673400000000, 0.0000000000000000, -0.0203007600000000 ] - [ 0.0076934200000000, -0.0006571400000000, 0.0009996100000000 ] - [ 0.0100968500000000, 0.0000000000000000, -0.0075523300000000 ] - [ 0.0016021600000000, 0.0013546100000000, -0.0023699800000000 ] - [ 0.0000680300000000, 0.0000000000000000, 0.0001381600000000 ] - [ 0.0000024900000000, 0.0000786900000000, 0.0005625700000000 ] - [ 0.0000485100000000, 0.0000000000000000, -0.0002173000000000 ] - [ 0.0016021600000000, -0.0013546100000000, -0.0023699800000000 ] - [ -0.0002074200000000, -0.0001307300000000, 0.0003327600000000 ] - [ 0.0014821500000000, 0.0000000000000000, 0.0005434700000000 ] - [ 0.0000946900000000, 0.0000000000000000, -0.0001936400000000 ] - [ 0.0001658800000000, 0.0000000000000000, 0.0002200800000000 ] - [ 0.0000028700000000, 0.0000000000000000, -0.0004501400000000 ] - [ 0.0000856600000000, 0.0000419200000000, -0.0000180200000000 ] - [ 0.0002043500000000, 0.0000000000000000, -0.0002503600000000 ] - [ 0.0000718100000000, -0.0000409200000000, -0.0001007000000000 ] - [ 0.0005775300000000, 0.0003134100000000, -0.0005604700000000 ] - [ -0.0000697800000000, 0.0000000000000000, -0.0001253700000000 ] - [ 0.0005775300000000, -0.0003134100000000, -0.0005604700000000 ] - [ 0.0000080400000000, 0.0000000000000000, -0.0000915300000000 ] - [ -0.0057754100000000, 0.0000000000000000, 0.0031663000000000 ] - [ -0.0289961000000000, 0.0035690300000000, 0.0032690400000000 ] - [ 0.0027527400000000, 0.0000000000000000, -0.0001130000000000 ] - [ 0.0019292000000000, 0.0000000000000000, 0.0012871800000000 ] - [ 0.0054194100000000, 0.0000000000000000, -0.0042320300000000 ] - [ -0.0289961000000000, -0.0035690300000000, 0.0032690400000000 ] - [ 0.0007231900000000, 0.0000000000000000, 0.0025507900000000 ] - [ -0.0004241200000000, 0.0004467700000000, 0.0024138300000000 ] - [ -0.0003343600000000, 0.0000000000000000, 0.0003926800000000 ] - [ -0.0002074200000000, 0.0001307300000000, 0.0003327600000000 ] - [ 0.0003324800000000, 0.0000000000000000, 0.0011316100000000 ] - [ -0.0004241200000000, -0.0004467700000000, 0.0024138300000000 ] - [ 0.0000024900000000, -0.0000786900000000, 0.0005625700000000 ] - [ -0.0010291600000000, 0.0000000000000000, 0.0004353000000000 ] - [ -0.0000279000000000, 0.0000000000000000, -0.0001131500000000 ] - [ 0.0009731400000000, 0.0000000000000000, 0.0039360900000000 ] - [ 0.0043335400000000, 0.0000000000000000, 0.0010696000000000 ] - [ 0.0003450400000000, 0.0000000000000000, 0.0002341800000000 ] - [ -0.0820414500000000, 0.0000000000000000, 0.0242070400000000 ] - [ 0.0007106000000000, 0.0000000000000000, -0.0021088900000000 ] - [ -0.0052246900000000, 0.0000000000000000, -0.0025139200000000 ] - [ -0.0000826600000000, 0.0000000000000000, 0.0008348300000000 ] - [ 0.0038830600000000, 0.0000000000000000, 0.0029745900000000 ] - [ 0.0000084900000000, 0.0000361900000000, 0.0001155200000000 ] - [ -0.0000433200000000, 0.0000000000000000, -0.0002045800000000 ] - [ -0.0000201700000000, -0.0000420200000000, 0.0001317400000000 ] - [ -0.0003312400000000, 0.0000000000000000, -0.0005202600000000 ] - [ -0.0002530900000000, -0.0000942300000000, -0.0005980100000000 ] - [ -0.0002667800000000, 0.0000000000000000, -0.0000033100000000 ] - [ -0.0002122900000000, 0.0000000000000000, -0.0000696000000000 ] - [ -0.0000551300000000, 0.0000118100000000, -0.0002084500000000 ] - [ -0.0001050100000000, 0.0000000000000000, -0.0012406200000000 ] - [ -0.0002530900000000, 0.0000942300000000, -0.0005980100000000 ] - [ 0.0001908600000000, 0.0000000000000000, -0.0003573200000000 ] - [ -0.0000551300000000, -0.0000118100000000, -0.0002084500000000 ] - [ 0.0024361000000000, 0.0054421900000000, -0.0082525700000000 ] - [ 0.0000969500000000, 0.0000000000000000, -0.0019332200000000 ] - [ 0.0005265100000000, 0.0000000000000000, -0.0000280600000000 ] - [ 0.0024361000000000, -0.0054421900000000, -0.0082525700000000 ] - [ -0.0011431600000000, 0.0001473800000000, -0.0001137700000000 ] - [ -0.0063118500000000, 0.0000000000000000, 0.0003454000000000 ] - [ -0.0037555000000000, 0.0000000000000000, -0.0015458200000000 ] - [ 0.0018751300000000, 0.0009420500000000, 0.0003871900000000 ] - [ -0.0023334300000000, 0.0001233100000000, 0.0007440800000000 ] - [ 0.2555481200000000, 0.0000000000000000, -0.0093207800000000 ] - [ -0.0033803400000000, 0.0000000000000000, 0.0185345900000000 ] - [ -0.0082779000000000, 0.0042647900000000, -0.0011154800000000 ] - [ 0.0007164100000000, 0.0000000000000000, -0.0007670500000000 ] - [ 0.0040136600000000, -0.0007350700000000, -0.0025195400000000 ] - [ -0.0082779000000000, -0.0042647900000000, -0.0011154800000000 ] - [ -0.0003489100000000, 0.0000000000000000, 0.0018751600000000 ] - [ 0.0000222900000000, 0.0001572000000000, 0.0004443200000000 ] - [ -0.0007340000000000, 0.0000000000000000, 0.0013648400000000 ] - [ -0.0012135700000000, 0.0000000000000000, 0.0062972800000000 ] - [ -0.0000306300000000, 0.0000000000000000, 0.0004782300000000 ] - [ 0.0011204000000000, -0.0002888500000000, 0.0013196800000000 ] - [ 0.0000222900000000, -0.0001572000000000, 0.0004443200000000 ] - [ 0.0002411300000000, 0.0000000000000000, 0.0006848200000000 ] - [ 0.0011204000000000, 0.0002888500000000, 0.0013196800000000 ] - [ 0.0000558200000000, 0.0000000000000000, 0.0004118000000000 ] - [ -0.0000474000000000, 0.0000000000000000, 0.0000135000000000 ] - [ 0.0000127600000000, 0.0001234400000000, 0.0005030900000000 ] - [ -0.0001430700000000, -0.0001123500000000, 0.0004956300000000 ] - [ -0.0000201700000000, 0.0000420200000000, 0.0001317400000000 ] - [ -0.0001610200000000, 0.0000000000000000, -0.0002859800000000 ] - [ 0.0000084900000000, -0.0000361900000000, 0.0001155200000000 ] - [ -0.0003574100000000, 0.0000000000000000, -0.0004708300000000 ] - [ -0.0000086700000000, -0.0001387100000000, -0.0000922800000000 ] - [ -0.0001328500000000, 0.0000000000000000, 0.0000600900000000 ] - [ -0.0002257000000000, 0.0000000000000000, -0.0000146700000000 ] - [ -0.0001055700000000, -0.0000036900000000, -0.0000818400000000 ] - [ -0.0007659100000000, 0.0000000000000000, 0.0002074800000000 ] - [ -0.0000086700000000, 0.0001387100000000, -0.0000922800000000 ] - [ -0.0003209900000000, 0.0000000000000000, -0.0000777000000000 ] - [ -0.0001055700000000, 0.0000036900000000, -0.0000818400000000 ] - [ -0.0034485400000000, 0.0000704300000000, 0.0017225000000000 ] - [ -0.0007877500000000, 0.0000000000000000, 0.0016155300000000 ] - [ 0.0000517700000000, 0.0000000000000000, 0.0004218400000000 ] - [ -0.0034485400000000, -0.0000704300000000, 0.0017225000000000 ] - [ 0.0018751300000000, -0.0009420500000000, 0.0003871900000000 ] - [ 0.0091170200000000, 0.0000000000000000, -0.0008143700000000 ] - [ 0.0046678100000000, 0.0000000000000000, 0.0019457400000000 ] - [ -0.0011431600000000, -0.0001473800000000, -0.0001137700000000 ] - [ 0.0040136600000000, 0.0007350700000000, -0.0025195400000000 ] - [ -0.0076229400000000, 0.0000000000000000, -0.0002153100000000 ] - [ -0.0025451800000000, 0.0000000000000000, -0.0021834800000000 ] - [ -0.0311981300000000, 0.0208421000000000, -0.0006366600000000 ] - [ -0.0005380700000000, 0.0000000000000000, 0.0007752600000000 ] - [ -0.0023334300000000, -0.0001233100000000, 0.0007440800000000 ] - [ -0.0311981300000000, -0.0208421000000000, -0.0006366600000000 ] - [ -0.0010534800000000, 0.0000000000000000, -0.0039721700000000 ] - [ 0.0000219800000000, 0.0001557100000000, -0.0000233300000000 ] - [ 0.0008440700000000, 0.0000000000000000, -0.0006870200000000 ] - [ -0.0009464600000000, 0.0000000000000000, -0.0026926800000000 ] - [ -0.0000562800000000, 0.0000000000000000, 0.0003016300000000 ] - [ -0.0008428400000000, 0.0002494100000000, -0.0002721200000000 ] - [ 0.0000219800000000, -0.0001557100000000, -0.0000233300000000 ] - [ -0.0000971800000000, 0.0000000000000000, 0.0004351600000000 ] - [ -0.0008428400000000, -0.0002494100000000, -0.0002721200000000 ] - [ 0.0000436300000000, 0.0000000000000000, 0.0003011000000000 ] - [ 0.0004382700000000, 0.0000000000000000, 0.0001786200000000 ] - [ -0.0001430700000000, 0.0001123500000000, 0.0004956300000000 ] - [ 0.0000127600000000, -0.0001234400000000, 0.0005030900000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001444900000000, -0.0000012100000000, 0.0002970900000000 ] - [ -0.0000621700000000, -0.0000015700000000, -0.0003876300000000 ] - [ 0.0000789400000000, 0.0000401400000000, -0.0000359100000000 ] - [ -0.0001146800000000, 0.0000347800000000, -0.0003552400000000 ] - [ 0.0000806400000000, -0.0000387900000000, -0.0000337100000000 ] - [ -0.0001681300000000, -0.0000106100000000, -0.0001845000000000 ] - [ -0.0000992500000000, -0.0000146800000000, 0.0000840600000000 ] - [ 0.0001276500000000, -0.0000197700000000, 0.0002021700000000 ] - [ -0.0000988100000000, 0.0000019600000000, 0.0000622200000000 ] - [ 0.0000021500000000, 0.0005366600000000, -0.0000223800000000 ] - [ 0.0006647300000000, 0.0000917000000000, 0.0003273200000000 ] - [ 0.0000481800000000, 0.0040903400000000, -0.0001942400000000 ] - [ 0.0002952600000000, 0.0001742000000000, -0.0001301900000000 ] - [ -0.0000781000000000, 0.0221988400000000, -0.0004333700000000 ] - [ -0.0004569100000000, 0.0002400000000000, -0.0010612300000000 ] - [ 0.0003743200000000, 0.0077448300000000, -0.0001579700000000 ] - [ -0.0001488500000000, 0.0000502500000000, 0.0001588000000000 ] - [ -0.0001212000000000, 0.0000246800000000, 0.0002949400000000 ] - [ -0.0000955800000000, 0.0001167000000000, 0.0004839800000000 ] - [ 0.0002068800000000, 0.0002446900000000, 0.0005477800000000 ] - [ 0.0002619700000000, -0.0000178500000000, -0.0001557900000000 ] - [ -0.0001225400000000, -0.0001170700000000, 0.0004625500000000 ] - [ 0.0001968600000000, -0.0000065000000000, 0.0003800800000000 ] - [ 0.0000321100000000, -0.0000043200000000, -0.0001246900000000 ] - [ 0.0001445300000000, 0.0000001000000000, 0.0002969400000000 ] - [ -0.0000619700000000, -0.0000011700000000, -0.0003877100000000 ] - [ 0.0000793200000000, 0.0000402500000000, -0.0000365200000000 ] - [ -0.0001135600000000, 0.0000098200000000, -0.0003547100000000 ] - [ 0.0000808000000000, -0.0000388900000000, -0.0000346000000000 ] - [ 0.0000003500000000, 0.0000053200000000, 0.0000423400000000 ] - [ -0.0000991100000000, -0.0000142900000000, 0.0000834000000000 ] - [ -0.0000357200000000, -0.0000067400000000, -0.0000286700000000 ] - [ -0.0000984300000000, 0.0000016900000000, 0.0000617700000000 ] - [ -0.0000041200000000, -0.0036944400000000, -0.0000154300000000 ] - [ -0.0031909300000000, 0.0160165800000000, 0.0018953300000000 ] - [ 0.0000490500000000, -0.0000891200000000, -0.0002104200000000 ] - [ 0.0003051300000000, -0.0003012100000000, -0.0001100300000000 ] - [ 0.0000361200000000, -0.0021214100000000, -0.0003375600000000 ] - [ 0.0040569800000000, 0.0176265100000000, -0.0039140700000000 ] - [ 0.0003887700000000, -0.0069548100000000, -0.0001391500000000 ] - [ -0.0021809100000000, 0.0000784700000000, -0.0014664200000000 ] - [ -0.0001211700000000, 0.0000218500000000, 0.0002950800000000 ] - [ -0.0000951000000000, 0.0001176000000000, 0.0004882500000000 ] - [ 0.0002080300000000, 0.0000755100000000, 0.0005473600000000 ] - [ 0.0023063700000000, -0.0000039100000000, 0.0014794000000000 ] - [ -0.0001214800000000, -0.0001181000000000, 0.0004666400000000 ] - [ 0.0001960300000000, -0.0004511900000000, 0.0003810400000000 ] - [ 0.0000321500000000, -0.0000030800000000, -0.0001244700000000 ] - [ -0.0000837400000000, 0.0026730800000000, -0.0002094900000000 ] - [ 0.0000302600000000, 0.0007954800000000, 0.0000124200000000 ] - [ 0.0001318000000000, -0.0000252900000000, 0.0005122100000000 ] - [ 0.0002280600000000, 0.0058376700000000, -0.0003572600000000 ] - [ -0.0000854500000000, -0.0004190100000000, -0.0002117300000000 ] - [ 0.0000219100000000, -0.0093302900000000, -0.0000366300000000 ] - [ 0.0001320400000000, -0.0000473500000000, 0.0005129600000000 ] - [ -0.0000122000000000, -0.0057151000000000, -0.0002614300000000 ] - [ -0.0000075800000000, 0.0000369300000000, 0.0001070400000000 ] - [ -0.0001017100000000, -0.0000014000000000, -0.0002612300000000 ] - [ -0.0000081400000000, -0.0000364500000000, 0.0001085400000000 ] - [ -0.0003423900000000, -0.0000003200000000, -0.0005116900000000 ] - [ -0.0001463900000000, -0.0001103700000000, -0.0003632800000000 ] - [ -0.0001947400000000, 0.0000036500000000, 0.0000099000000000 ] - [ -0.0002197600000000, 0.0000008300000000, -0.0000652500000000 ] - [ -0.0000840600000000, 0.0000085500000000, -0.0001683200000000 ] - [ -0.0004515700000000, -0.0003021400000000, -0.0003750100000000 ] - [ -0.0001164600000000, 0.0001166100000000, -0.0003085200000000 ] - [ -0.0000812800000000, -0.0000268800000000, -0.0002302900000000 ] - [ -0.0000852200000000, -0.0000073100000000, -0.0001619600000000 ] - [ -0.0025367000000000, 0.0066446800000000, -0.0080791200000000 ] - [ 0.0001968200000000, 0.0008035700000000, -0.0000871200000000 ] - [ 0.0002895100000000, 0.0000248700000000, 0.0001072300000000 ] - [ 0.0024570200000000, 0.0065621300000000, 0.0078775500000000 ] - [ -0.0001055100000000, -0.0001149300000000, 0.0001340400000000 ] - [ -0.0000516400000000, -0.0020052200000000, 0.0000633100000000 ] - [ -0.0001855500000000, -0.0006803800000000, -0.0003451400000000 ] - [ -0.0004571400000000, -0.0000283100000000, 0.0004529000000000 ] - [ -0.0000726700000000, 0.0000164800000000, 0.0004294500000000 ] - [ -0.0008029100000000, -0.1178654000000000, 0.0012979900000000 ] - [ 0.0001363700000000, -0.0050414900000000, -0.0001553400000000 ] - [ -0.0039863100000000, 0.0017656200000000, -0.0007142500000000 ] - [ 0.0001096500000000, -0.0015443800000000, 0.0001570000000000 ] - [ 0.0033993400000000, 0.0015219800000000, 0.0093915600000000 ] - [ 0.0037618100000000, 0.0018344400000000, -0.0003013300000000 ] - [ -0.0001971800000000, 0.0009507600000000, -0.0001893200000000 ] - [ 0.0000424000000000, 0.0001486300000000, 0.0001559900000000 ] - [ 0.0004094700000000, -0.0000353800000000, 0.0001436500000000 ] - [ 0.0000759400000000, -0.0017951800000000, -0.0001481600000000 ] - [ -0.0000442400000000, -0.0000046500000000, 0.0003714700000000 ] - [ 0.0004022200000000, 0.0000988400000000, 0.0001173300000000 ] - [ -0.0000017100000000, -0.0001774500000000, 0.0002457300000000 ] - [ 0.0000667000000000, -0.0000302400000000, 0.0005528500000000 ] - [ -0.0004129300000000, -0.0002763400000000, 0.0007914600000000 ] - [ 0.0000569100000000, 0.0000054300000000, 0.0003376000000000 ] - [ 0.0002018000000000, 0.0000024100000000, 0.0000390800000000 ] - [ -0.0000683700000000, 0.0001254800000000, 0.0004777400000000 ] - [ -0.0000733600000000, -0.0001228000000000, 0.0004859000000000 ] - [ -0.0000076100000000, 0.0000368800000000, 0.0001070100000000 ] - [ -0.0001019900000000, -0.0000022600000000, -0.0002614400000000 ] - [ -0.0000079600000000, -0.0000368600000000, 0.0001087000000000 ] - [ -0.0003424100000000, -0.0000002700000000, -0.0005116200000000 ] - [ -0.0001136800000000, -0.0001084600000000, -0.0003522800000000 ] - [ -0.0001944900000000, 0.0000023300000000, 0.0000099700000000 ] - [ -0.0002196600000000, 0.0000008500000000, -0.0000650400000000 ] - [ -0.0000824400000000, 0.0000086700000000, -0.0001678400000000 ] - [ -0.0004522000000000, 0.0000630900000000, -0.0003732400000000 ] - [ -0.0001482200000000, 0.0001187300000000, -0.0003177300000000 ] - [ -0.0000820500000000, 0.0000100200000000, -0.0002299400000000 ] - [ -0.0000869700000000, -0.0000070200000000, -0.0001620000000000 ] - [ -0.0007317300000000, -0.0002963700000000, 0.0009535800000000 ] - [ 0.0001932800000000, -0.0000538000000000, -0.0000787600000000 ] - [ 0.0002885000000000, -0.0000124400000000, 0.0001082500000000 ] - [ 0.0006744600000000, -0.0003837000000000, -0.0010729500000000 ] - [ 0.0003596000000000, -0.0003322000000000, -0.0004121300000000 ] - [ -0.0000703000000000, 0.0407898300000000, 0.0000349300000000 ] - [ -0.0001698200000000, 0.0027451400000000, -0.0003564300000000 ] - [ -0.0000026100000000, 0.0001821100000000, -0.0000945600000000 ] - [ -0.0034327000000000, 0.0014717400000000, -0.0090536600000000 ] - [ 0.0001274100000000, 0.0019194300000000, -0.0002415300000000 ] - [ 0.0001670800000000, 0.0010276300000000, -0.0002212600000000 ] - [ -0.0254371400000000, 0.0064437300000000, 0.0003446400000000 ] - [ 0.0001085200000000, 0.0000617800000000, 0.0001577400000000 ] - [ 0.0000289300000000, 0.0001065300000000, -0.0001218200000000 ] - [ 0.0254523600000000, 0.0064369700000000, -0.0013691000000000 ] - [ -0.0001973600000000, -0.0019298400000000, -0.0001998500000000 ] - [ 0.0000007900000000, 0.0001572900000000, 0.0001528300000000 ] - [ 0.0004054400000000, 0.0008838400000000, 0.0001435800000000 ] - [ 0.0000613400000000, 0.0010609000000000, -0.0001347600000000 ] - [ -0.0000443100000000, -0.0000062400000000, 0.0003714000000000 ] - [ -0.0000537700000000, 0.0001871100000000, 0.0004269100000000 ] - [ 0.0000395200000000, -0.0001686100000000, 0.0002487500000000 ] - [ 0.0000664200000000, -0.0000067800000000, 0.0005531000000000 ] - [ 0.0000408400000000, -0.0001850300000000, 0.0004836700000000 ] - [ 0.0000571500000000, 0.0000071900000000, 0.0003377600000000 ] - [ 0.0002017700000000, 0.0000186900000000, 0.0000386700000000 ] - [ -0.0000655700000000, 0.0001258400000000, 0.0004777700000000 ] - [ -0.0000706500000000, -0.0001232300000000, 0.0004857400000000 ]- atom: 78 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001423000000000, 0.0000000000000000, -0.0023175700000000 ] - [ -0.0000080800000000, 0.0000000000000000, -0.0026664100000000 ] - [ 0.0001118700000000, 0.0000535700000000, -0.0022493600000000 ] - [ 0.0002541400000000, 0.0000000000000000, -0.0027413800000000 ] - [ 0.0000121000000000, -0.0000536400000000, -0.0022998600000000 ] - [ -0.0005172300000000, 0.0002082900000000, -0.0034181800000000 ] - [ -0.0003550200000000, 0.0000000000000000, -0.0025202400000000 ] - [ -0.0005172300000000, -0.0002082900000000, -0.0034181800000000 ] - [ 0.0000387500000000, 0.0000000000000000, -0.0025353500000000 ] - [ 0.0003863300000000, 0.0000000000000000, 0.0010156600000000 ] - [ -0.0009985600000000, 0.0000512300000000, 0.0047806000000000 ] - [ 0.0034137800000000, 0.0000000000000000, -0.0081205100000000 ] - [ 0.0008042300000000, 0.0000000000000000, -0.0068495000000000 ] - [ 0.0269645800000000, 0.0000000000000000, 0.0457505200000000 ] - [ -0.0009985600000000, -0.0000512300000000, 0.0047806000000000 ] - [ 0.0046621300000000, 0.0000000000000000, 0.0106637600000000 ] - [ 0.0026563300000000, 0.0019229300000000, -0.0004563700000000 ] - [ -0.0000470000000000, 0.0000000000000000, -0.0018551200000000 ] - [ -0.0003503200000000, 0.0001120300000000, -0.0017006900000000 ] - [ 0.0009703600000000, 0.0000000000000000, -0.0022397200000000 ] - [ 0.0026563300000000, -0.0019229300000000, -0.0004563700000000 ] - [ 0.0000852100000000, -0.0001041500000000, -0.0018781500000000 ] - [ -0.0000376300000000, 0.0000000000000000, -0.0010998900000000 ] - [ 0.0000793900000000, 0.0000000000000000, -0.0027037600000000 ] - [ 0.0001597000000000, 0.0000000000000000, -0.0022656600000000 ] - [ -0.0000641200000000, 0.0000000000000000, -0.0025561300000000 ] - [ 0.0000121000000000, 0.0000536400000000, -0.0022998600000000 ] - [ -0.0005001000000000, 0.0000000000000000, -0.0024284200000000 ] - [ 0.0001118700000000, -0.0000535700000000, -0.0022493600000000 ] - [ 0.0004202700000000, 0.0003924900000000, -0.0019104300000000 ] - [ 0.0000141100000000, 0.0000000000000000, -0.0022283500000000 ] - [ 0.0004202700000000, -0.0003924900000000, -0.0019104300000000 ] - [ -0.0000585800000000, 0.0000000000000000, -0.0021361800000000 ] - [ 0.0043825500000000, 0.0000000000000000, -0.0051398400000000 ] - [ 0.0040323400000000, 0.0002685700000000, 0.0285781200000000 ] - [ -0.0012448600000000, 0.0000000000000000, 0.0003684800000000 ] - [ -0.0019995500000000, 0.0000000000000000, -0.0001956000000000 ] - [ 0.0005862400000000, 0.0000000000000000, 0.0064499600000000 ] - [ 0.0040323400000000, -0.0002685700000000, 0.0285781200000000 ] - [ -0.0049804800000000, 0.0000000000000000, 0.0116621400000000 ] - [ -0.0058697100000000, -0.0000320700000000, -0.0021703400000000 ] - [ -0.0001547400000000, 0.0000000000000000, -0.0021483100000000 ] - [ 0.0000852100000000, 0.0001041500000000, -0.0018781500000000 ] - [ -0.0011294200000000, 0.0000000000000000, -0.0020057000000000 ] - [ -0.0058697100000000, 0.0000320700000000, -0.0021703400000000 ] - [ -0.0003503200000000, -0.0001120300000000, -0.0017006900000000 ] - [ 0.0012515600000000, 0.0000000000000000, -0.0030078100000000 ] - [ 0.0000095500000000, 0.0000000000000000, -0.0028257000000000 ] - [ -0.0045140300000000, 0.0000000000000000, -0.0036619600000000 ] - [ -0.0009216700000000, 0.0000000000000000, 0.0033049300000000 ] - [ 0.0002710000000000, 0.0000000000000000, -0.0007828400000000 ] - [ -0.0102877300000000, 0.0000000000000000, 0.0146966000000000 ] - [ 0.0016534500000000, 0.0000000000000000, 0.0005532900000000 ] - [ 0.0027451200000000, 0.0000000000000000, 0.0040862300000000 ] - [ 0.0000399600000000, 0.0000000000000000, -0.0017965300000000 ] - [ -0.0015142700000000, 0.0000000000000000, 0.0036728000000000 ] - [ 0.0001428200000000, 0.0003250200000000, 0.0015494100000000 ] - [ -0.0001394200000000, 0.0000000000000000, 0.0015650700000000 ] - [ 0.0001537700000000, -0.0003207800000000, 0.0015354000000000 ] - [ -0.0006462100000000, 0.0000000000000000, 0.0009486000000000 ] - [ 0.0003477400000000, -0.0002211200000000, 0.0012578100000000 ] - [ -0.0002071300000000, 0.0000000000000000, 0.0015731000000000 ] - [ -0.0001935100000000, 0.0000000000000000, 0.0019143300000000 ] - [ -0.0000326400000000, -0.0000875700000000, 0.0015144500000000 ] - [ -0.0000357600000000, 0.0000000000000000, 0.0015557300000000 ] - [ 0.0003477400000000, 0.0002211200000000, 0.0012578100000000 ] - [ -0.0001488800000000, 0.0000000000000000, 0.0016075800000000 ] - [ -0.0000326400000000, 0.0000875700000000, 0.0015144500000000 ] - [ 0.0042885800000000, -0.0107967200000000, 0.0085021500000000 ] - [ 0.0017468100000000, 0.0000000000000000, 0.0029762100000000 ] - [ 0.0000782100000000, 0.0000000000000000, 0.0022821900000000 ] - [ 0.0042885800000000, 0.0107967200000000, 0.0085021500000000 ] - [ 0.0002213800000000, -0.0001800900000000, 0.0000760800000000 ] - [ 0.0008472300000000, 0.0000000000000000, -0.0034926800000000 ] - [ 0.0017580500000000, 0.0000000000000000, -0.0022597200000000 ] - [ -0.0000780500000000, 0.0002568100000000, 0.0023969300000000 ] - [ -0.0003425400000000, 0.0001934600000000, -0.0019771800000000 ] - [ -0.0310785100000000, 0.0000000000000000, -0.1417518700000000 ] - [ -0.0191159400000000, 0.0000000000000000, 0.0173849200000000 ] - [ 0.0007869300000000, -0.0003215200000000, -0.0065714000000000 ] - [ 0.0015324400000000, 0.0000000000000000, 0.0031255700000000 ] - [ 0.0064875800000000, 0.0071548600000000, 0.0123372400000000 ] - [ 0.0007869300000000, 0.0003215200000000, -0.0065714000000000 ] - [ -0.0023785500000000, 0.0000000000000000, -0.0021837900000000 ] - [ -0.0002154800000000, 0.0001451700000000, 0.0016855400000000 ] - [ -0.0009296600000000, 0.0000000000000000, 0.0014253300000000 ] - [ -0.0054536300000000, 0.0000000000000000, 0.0033930500000000 ] - [ -0.0001103300000000, 0.0000000000000000, 0.0023483100000000 ] - [ -0.0011332800000000, -0.0001309200000000, 0.0024043900000000 ] - [ -0.0002154800000000, -0.0001451700000000, 0.0016855400000000 ] - [ -0.0001177900000000, 0.0000000000000000, 0.0023313700000000 ] - [ -0.0011332800000000, 0.0001309200000000, 0.0024043900000000 ] - [ -0.0003698700000000, 0.0000000000000000, 0.0017621200000000 ] - [ 0.0002525900000000, 0.0000000000000000, 0.0016342000000000 ] - [ 0.0001147200000000, -0.0001962600000000, 0.0019628800000000 ] - [ 0.0000820800000000, 0.0001677800000000, 0.0018358500000000 ] - [ 0.0001537700000000, 0.0003207800000000, 0.0015354000000000 ] - [ -0.0000047100000000, 0.0000000000000000, 0.0015487100000000 ] - [ 0.0001428200000000, -0.0003250200000000, 0.0015494100000000 ] - [ -0.0006777100000000, 0.0000000000000000, 0.0009031900000000 ] - [ -0.0001967000000000, -0.0003251700000000, 0.0010193000000000 ] - [ -0.0003658500000000, 0.0000000000000000, 0.0015879600000000 ] - [ -0.0002354600000000, 0.0000000000000000, 0.0018349500000000 ] - [ -0.0001038200000000, -0.0000720300000000, 0.0013533400000000 ] - [ -0.0010071200000000, 0.0000000000000000, 0.0005208400000000 ] - [ -0.0001967000000000, 0.0003251700000000, 0.0010193000000000 ] - [ -0.0001738500000000, 0.0000000000000000, 0.0009688900000000 ] - [ -0.0001038200000000, 0.0000720300000000, 0.0013533400000000 ] - [ -0.0010654200000000, 0.0006676800000000, -0.0029374900000000 ] - [ -0.0018955600000000, 0.0000000000000000, 0.0018561300000000 ] - [ -0.0000219600000000, 0.0000000000000000, 0.0016040700000000 ] - [ -0.0010654200000000, -0.0006676800000000, -0.0029374900000000 ] - [ -0.0000780500000000, -0.0002568100000000, 0.0023969300000000 ] - [ -0.0012619700000000, 0.0000000000000000, -0.0120072800000000 ] - [ -0.0032257600000000, 0.0000000000000000, -0.0034662000000000 ] - [ 0.0002213800000000, 0.0001800900000000, 0.0000760800000000 ] - [ 0.0064875800000000, -0.0071548600000000, 0.0123372400000000 ] - [ 0.0012068600000000, 0.0000000000000000, -0.0036630100000000 ] - [ 0.0026837900000000, 0.0000000000000000, -0.0031743500000000 ] - [ 0.0050159900000000, -0.0024664000000000, -0.0129163400000000 ] - [ -0.0003964400000000, 0.0000000000000000, 0.0001266500000000 ] - [ -0.0003425400000000, -0.0001934600000000, -0.0019771800000000 ] - [ 0.0050159900000000, 0.0024664000000000, -0.0129163400000000 ] - [ 0.0035074300000000, 0.0000000000000000, -0.0014405900000000 ] - [ 0.0003315900000000, 0.0001416800000000, 0.0020193800000000 ] - [ 0.0020393500000000, 0.0000000000000000, 0.0033285200000000 ] - [ 0.0027865400000000, 0.0000000000000000, -0.0012042500000000 ] - [ 0.0000380300000000, 0.0000000000000000, 0.0023960200000000 ] - [ 0.0008964300000000, 0.0002035700000000, 0.0011615600000000 ] - [ 0.0003315900000000, -0.0001416800000000, 0.0020193800000000 ] - [ 0.0002638700000000, 0.0000000000000000, 0.0018769900000000 ] - [ 0.0008964300000000, -0.0002035700000000, 0.0011615600000000 ] - [ -0.0002105900000000, 0.0000000000000000, 0.0017689800000000 ] - [ 0.0000810600000000, 0.0000000000000000, 0.0021289400000000 ] - [ 0.0000820800000000, -0.0001677800000000, 0.0018358500000000 ] - [ 0.0001147200000000, 0.0001962600000000, 0.0019628800000000 ]- atom: 78 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001463000000000, 0.0000000000000000, 0.0029033600000000 ] - [ -0.0001164300000000, 0.0000000000000000, 0.0018823300000000 ] - [ 0.0000476600000000, 0.0000254400000000, 0.0021701800000000 ] - [ -0.0004823500000000, 0.0000000000000000, 0.0020242500000000 ] - [ 0.0001478400000000, -0.0000253100000000, 0.0022205300000000 ] - [ 0.0004788000000000, -0.0002002700000000, 0.0034277600000000 ] - [ 0.0001560900000000, 0.0000000000000000, 0.0026788800000000 ] - [ 0.0004788000000000, 0.0002002700000000, 0.0034277600000000 ] - [ -0.0002358600000000, 0.0000000000000000, 0.0026515800000000 ] - [ -0.0003936400000000, 0.0000000000000000, -0.0010813700000000 ] - [ 0.0011955300000000, -0.0001997300000000, -0.0055441100000000 ] - [ -0.0032940800000000, 0.0000000000000000, 0.0076428800000000 ] - [ -0.0001969100000000, 0.0000000000000000, 0.0066260000000000 ] - [ -0.0243133400000000, 0.0000000000000000, -0.0446304200000000 ] - [ 0.0011955300000000, 0.0001997300000000, -0.0055441100000000 ] - [ -0.0039376300000000, 0.0000000000000000, -0.0110716900000000 ] - [ -0.0025200600000000, -0.0018242500000000, 0.0004715200000000 ] - [ -0.0001952400000000, 0.0000000000000000, 0.0024373200000000 ] - [ 0.0001311800000000, 0.0001221000000000, 0.0026436900000000 ] - [ -0.0005503400000000, 0.0000000000000000, 0.0033231600000000 ] - [ -0.0025200600000000, 0.0018242500000000, 0.0004715200000000 ] - [ -0.0003008400000000, -0.0001297400000000, 0.0028194000000000 ] - [ 0.0004309200000000, 0.0000000000000000, 0.0018603800000000 ] - [ -0.0000146700000000, 0.0000000000000000, 0.0024428600000000 ] - [ 0.0001293200000000, 0.0000000000000000, 0.0028513400000000 ] - [ -0.0000599900000000, 0.0000000000000000, 0.0017718700000000 ] - [ 0.0001478400000000, 0.0000253100000000, 0.0022205300000000 ] - [ 0.0002738600000000, 0.0000000000000000, 0.0017105200000000 ] - [ 0.0000476600000000, -0.0000254400000000, 0.0021701800000000 ] - [ -0.0004608100000000, -0.0003852200000000, 0.0019161000000000 ] - [ -0.0002139000000000, 0.0000000000000000, 0.0023862300000000 ] - [ -0.0004608100000000, 0.0003852200000000, 0.0019161000000000 ] - [ -0.0001381800000000, 0.0000000000000000, 0.0022514900000000 ] - [ -0.0044092100000000, 0.0000000000000000, 0.0050864500000000 ] - [ -0.0034075900000000, -0.0012420800000000, -0.0299311300000000 ] - [ 0.0013320000000000, 0.0000000000000000, -0.0007702200000000 ] - [ 0.0026125300000000, 0.0000000000000000, -0.0000409700000000 ] - [ -0.0005283900000000, 0.0000000000000000, -0.0070432200000000 ] - [ -0.0034075900000000, 0.0012420800000000, -0.0299311300000000 ] - [ 0.0056629600000000, 0.0000000000000000, -0.0120732400000000 ] - [ 0.0059370600000000, 0.0001197900000000, 0.0021802900000000 ] - [ -0.0000887200000000, 0.0000000000000000, 0.0027281400000000 ] - [ -0.0003008400000000, 0.0001297400000000, 0.0028194000000000 ] - [ 0.0015314000000000, 0.0000000000000000, 0.0030917100000000 ] - [ 0.0059370600000000, -0.0001197900000000, 0.0021802900000000 ] - [ 0.0001311800000000, -0.0001221000000000, 0.0026436900000000 ] - [ -0.0008476700000000, 0.0000000000000000, 0.0037500400000000 ] - [ 0.0000545500000000, 0.0000000000000000, 0.0025641800000000 ] - [ 0.0043615700000000, 0.0000000000000000, 0.0032450700000000 ] - [ 0.0009829900000000, 0.0000000000000000, -0.0032367300000000 ] - [ -0.0000058200000000, 0.0000000000000000, 0.0018063500000000 ] - [ 0.0105765000000000, 0.0000000000000000, -0.0154109500000000 ] - [ -0.0018227900000000, 0.0000000000000000, -0.0009926200000000 ] - [ -0.0026710800000000, 0.0000000000000000, -0.0039756700000000 ] - [ 0.0002229000000000, 0.0000000000000000, 0.0028120900000000 ] - [ 0.0015045000000000, 0.0000000000000000, -0.0041471100000000 ] - [ -0.0001580200000000, -0.0002507100000000, -0.0013265000000000 ] - [ -0.0000642000000000, 0.0000000000000000, -0.0020796700000000 ] - [ -0.0001692600000000, 0.0002469500000000, -0.0013125000000000 ] - [ -0.0000390600000000, 0.0000000000000000, -0.0019643500000000 ] - [ -0.0006114700000000, -0.0000065900000000, -0.0019225700000000 ] - [ -0.0001833000000000, 0.0000000000000000, -0.0015455400000000 ] - [ -0.0002459100000000, 0.0000000000000000, -0.0020351700000000 ] - [ -0.0001364900000000, 0.0001027500000000, -0.0018369300000000 ] - [ -0.0008697700000000, 0.0000000000000000, -0.0022980400000000 ] - [ -0.0006114700000000, 0.0000065900000000, -0.0019225700000000 ] - [ -0.0000153100000000, 0.0000000000000000, -0.0020604600000000 ] - [ -0.0001364900000000, -0.0001027500000000, -0.0018369300000000 ] - [ -0.0044053700000000, 0.0110358700000000, -0.0087347300000000 ] - [ -0.0013568600000000, 0.0000000000000000, -0.0031491100000000 ] - [ 0.0005002100000000, 0.0000000000000000, -0.0020628100000000 ] - [ -0.0044053700000000, -0.0110358700000000, -0.0087347300000000 ] - [ -0.0003263300000000, -0.0001178400000000, -0.0000277800000000 ] - [ -0.0009653200000000, 0.0000000000000000, 0.0036175500000000 ] - [ -0.0021284200000000, 0.0000000000000000, 0.0015824900000000 ] - [ -0.0000252300000000, 0.0000397800000000, -0.0023546400000000 ] - [ 0.0002961100000000, -0.0002794800000000, 0.0022553100000000 ] - [ 0.0275944100000000, 0.0000000000000000, 0.1410848600000000 ] - [ 0.0197583300000000, 0.0000000000000000, -0.0180657200000000 ] - [ -0.0009310400000000, 0.0002462600000000, 0.0055491000000000 ] - [ -0.0013006600000000, 0.0000000000000000, -0.0027983900000000 ] - [ -0.0064335600000000, -0.0069320100000000, -0.0118325200000000 ] - [ -0.0009310400000000, -0.0002462600000000, 0.0055491000000000 ] - [ 0.0019764500000000, 0.0000000000000000, 0.0017618800000000 ] - [ 0.0002531000000000, 0.0001793400000000, -0.0012780800000000 ] - [ 0.0017330600000000, 0.0000000000000000, -0.0011311400000000 ] - [ 0.0055174600000000, 0.0000000000000000, -0.0036313700000000 ] - [ 0.0000212200000000, 0.0000000000000000, -0.0015966900000000 ] - [ 0.0011114200000000, 0.0005025300000000, -0.0014865000000000 ] - [ 0.0002531000000000, -0.0001793400000000, -0.0012780800000000 ] - [ 0.0002509700000000, 0.0000000000000000, -0.0012176600000000 ] - [ 0.0011114200000000, -0.0005025300000000, -0.0014865000000000 ] - [ 0.0004802400000000, 0.0000000000000000, -0.0010797300000000 ] - [ 0.0001510500000000, 0.0000000000000000, -0.0015499300000000 ] - [ -0.0002524800000000, 0.0004426500000000, -0.0009920800000000 ] - [ -0.0002201400000000, -0.0004143100000000, -0.0008661500000000 ] - [ -0.0001692600000000, -0.0002469500000000, -0.0013125000000000 ] - [ -0.0001994600000000, 0.0000000000000000, -0.0020632800000000 ] - [ -0.0001580200000000, 0.0002507100000000, -0.0013265000000000 ] - [ -0.0000076200000000, 0.0000000000000000, -0.0019190900000000 ] - [ -0.0000655500000000, 0.0000978000000000, -0.0016834100000000 ] - [ -0.0000240600000000, 0.0000000000000000, -0.0015604500000000 ] - [ -0.0002038500000000, 0.0000000000000000, -0.0019556600000000 ] - [ -0.0000651400000000, 0.0000870900000000, -0.0016754000000000 ] - [ 0.0001034900000000, 0.0000000000000000, -0.0012593200000000 ] - [ -0.0000655500000000, -0.0000978000000000, -0.0016834100000000 ] - [ 0.0000096300000000, 0.0000000000000000, -0.0014202000000000 ] - [ -0.0000651400000000, -0.0000870900000000, -0.0016754000000000 ] - [ 0.0010173400000000, -0.0005881100000000, 0.0028382300000000 ] - [ 0.0023002700000000, 0.0000000000000000, -0.0020259600000000 ] - [ 0.0006005200000000, 0.0000000000000000, -0.0013834400000000 ] - [ 0.0010173400000000, 0.0005881100000000, 0.0028382300000000 ] - [ -0.0000252300000000, -0.0000397800000000, -0.0023546400000000 ] - [ 0.0011602500000000, 0.0000000000000000, 0.0121381900000000 ] - [ 0.0028700300000000, 0.0000000000000000, 0.0028105700000000 ] - [ -0.0003263300000000, 0.0001178400000000, -0.0000277800000000 ] - [ -0.0064335600000000, 0.0069320100000000, -0.0118325200000000 ] - [ -0.0009462900000000, 0.0000000000000000, 0.0031697900000000 ] - [ -0.0023506200000000, 0.0000000000000000, 0.0027513500000000 ] - [ -0.0053765400000000, 0.0024940500000000, 0.0118469600000000 ] - [ 0.0006107000000000, 0.0000000000000000, 0.0001778700000000 ] - [ 0.0002961100000000, 0.0002794800000000, 0.0022553100000000 ] - [ -0.0053765400000000, -0.0024940500000000, 0.0118469600000000 ] - [ -0.0038646400000000, 0.0000000000000000, 0.0010117300000000 ] - [ -0.0002889700000000, 0.0001824300000000, -0.0016090300000000 ] - [ -0.0012082800000000, 0.0000000000000000, -0.0030148400000000 ] - [ -0.0026359900000000, 0.0000000000000000, 0.0009059800000000 ] - [ -0.0001258300000000, 0.0000000000000000, -0.0016442000000000 ] - [ -0.0009018900000000, 0.0001696900000000, -0.0002551700000000 ] - [ -0.0002889700000000, -0.0001824300000000, -0.0016090300000000 ] - [ -0.0001277700000000, 0.0000000000000000, -0.0007672900000000 ] - [ -0.0009018900000000, -0.0001696900000000, -0.0002551700000000 ] - [ 0.0003230600000000, 0.0000000000000000, -0.0010862100000000 ] - [ 0.0003212100000000, 0.0000000000000000, -0.0020404100000000 ] - [ -0.0002201400000000, 0.0004143100000000, -0.0008661500000000 ] - [ -0.0002524800000000, -0.0004426500000000, -0.0009920800000000 ]- atom: 79 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0002039500000000, 0.0000000000000000, 0.0001877100000000 ] - [ 0.0001503500000000, 0.0000000000000000, -0.0006424200000000 ] - [ 0.0002952800000000, 0.0000378500000000, 0.0000283100000000 ] - [ 0.0016386800000000, 0.0000000000000000, -0.0006649900000000 ] - [ -0.0001576400000000, -0.0000191700000000, -0.0001519500000000 ] - [ -0.0019516900000000, 0.0002329000000000, -0.0025796900000000 ] - [ -0.0007672500000000, 0.0000000000000000, -0.0005755900000000 ] - [ -0.0019516900000000, -0.0002329000000000, -0.0025796900000000 ] - [ 0.0002169800000000, 0.0000000000000000, -0.0008987800000000 ] - [ -0.0073335000000000, 0.0000000000000000, 0.0051847300000000 ] - [ -0.0077997600000000, -0.0006862600000000, -0.0036940100000000 ] - [ 0.0003504400000000, 0.0000000000000000, 0.0007699300000000 ] - [ 0.0246201500000000, 0.0000000000000000, 0.0028852400000000 ] - [ 0.0086558100000000, 0.0000000000000000, -0.0002511300000000 ] - [ -0.0077997600000000, 0.0006862600000000, -0.0036940100000000 ] - [ 0.0289139100000000, 0.0000000000000000, 0.0019440500000000 ] - [ -0.0007159600000000, -0.0001565300000000, 0.0002878900000000 ] - [ -0.0001708000000000, 0.0000000000000000, 0.0002798500000000 ] - [ -0.0000758100000000, 0.0001227100000000, 0.0003953000000000 ] - [ 0.0000873900000000, 0.0000000000000000, 0.0006662900000000 ] - [ -0.0007159600000000, 0.0001565300000000, 0.0002878900000000 ] - [ -0.0001371900000000, -0.0001152000000000, 0.0004871700000000 ] - [ -0.0000084800000000, 0.0000000000000000, 0.0001650800000000 ] - [ 0.0000214900000000, 0.0000000000000000, -0.0001165900000000 ] - [ 0.0000922000000000, 0.0000000000000000, 0.0003323400000000 ] - [ -0.0002603300000000, 0.0000000000000000, -0.0002244100000000 ] - [ -0.0001576400000000, 0.0000191700000000, -0.0001519500000000 ] - [ -0.0014666700000000, 0.0000000000000000, -0.0002011700000000 ] - [ 0.0002952800000000, -0.0000378500000000, 0.0000283100000000 ] - [ -0.0006128200000000, -0.0020741000000000, 0.0029924200000000 ] - [ 0.0003365500000000, 0.0000000000000000, 0.0006302800000000 ] - [ -0.0006128200000000, 0.0020741000000000, 0.0029924200000000 ] - [ -0.0003191700000000, 0.0000000000000000, 0.0009286800000000 ] - [ 0.0034395700000000, 0.0000000000000000, -0.0036632000000000 ] - [ 0.0246474500000000, 0.0015482500000000, -0.0005412300000000 ] - [ -0.0003637600000000, 0.0000000000000000, -0.0007613500000000 ] - [ -0.0048588000000000, 0.0000000000000000, 0.0001872600000000 ] - [ -0.0026237700000000, 0.0000000000000000, -0.0004701700000000 ] - [ 0.0246474500000000, -0.0015482500000000, -0.0005412300000000 ] - [ -0.0066409700000000, 0.0000000000000000, 0.0062003500000000 ] - [ 0.0010960300000000, 0.0000179100000000, -0.0005925000000000 ] - [ -0.0000731300000000, 0.0000000000000000, 0.0002466000000000 ] - [ -0.0001371900000000, 0.0001152000000000, 0.0004871700000000 ] - [ 0.0003859200000000, 0.0000000000000000, 0.0003502600000000 ] - [ 0.0010960300000000, -0.0000179100000000, -0.0005925000000000 ] - [ -0.0000758100000000, -0.0001227100000000, 0.0003953000000000 ] - [ 0.0003145300000000, 0.0000000000000000, 0.0005247800000000 ] - [ 0.0000419400000000, 0.0000000000000000, -0.0002108900000000 ] - [ -0.0080576600000000, 0.0000000000000000, -0.0029491900000000 ] - [ -0.0007415900000000, 0.0000000000000000, -0.0013931000000000 ] - [ 0.0000674900000000, 0.0000000000000000, 0.0004783200000000 ] - [ -0.0040657700000000, 0.0000000000000000, 0.0014912500000000 ] - [ 0.0032351500000000, 0.0000000000000000, 0.0027464300000000 ] - [ 0.0008439600000000, 0.0000000000000000, 0.0013421100000000 ] - [ 0.0001919600000000, 0.0000000000000000, 0.0004938400000000 ] - [ 0.0000166400000000, 0.0000000000000000, -0.0020810600000000 ] - [ -0.0000890100000000, 0.0000488300000000, 0.0001525000000000 ] - [ -0.0004066500000000, 0.0000000000000000, -0.0002567400000000 ] - [ 0.0000714000000000, -0.0000369400000000, 0.0001031500000000 ] - [ -0.0003024200000000, 0.0000000000000000, -0.0004217700000000 ] - [ 0.0007976000000000, -0.0000128800000000, 0.0002021800000000 ] - [ 0.0002161400000000, 0.0000000000000000, -0.0000486800000000 ] - [ -0.0001511500000000, 0.0000000000000000, 0.0000589800000000 ] - [ 0.0000256800000000, -0.0000594700000000, 0.0002196800000000 ] - [ 0.0008355400000000, 0.0000000000000000, 0.0010386000000000 ] - [ 0.0007976000000000, 0.0000128800000000, 0.0002021800000000 ] - [ -0.0001791800000000, 0.0000000000000000, 0.0009230800000000 ] - [ 0.0000256800000000, 0.0000594700000000, 0.0002196800000000 ] - [ 0.0116059900000000, -0.0100048700000000, -0.0015295600000000 ] - [ 0.0027874300000000, 0.0000000000000000, 0.0016702800000000 ] - [ 0.0004313600000000, 0.0000000000000000, 0.0020120900000000 ] - [ 0.0116059900000000, 0.0100048700000000, -0.0015295600000000 ] - [ 0.0022389900000000, -0.0011618800000000, -0.0013015000000000 ] - [ 0.0028596400000000, 0.0000000000000000, 0.0030550600000000 ] - [ 0.0057297900000000, 0.0000000000000000, -0.0002385600000000 ] - [ -0.0008225100000000, 0.0025583400000000, 0.0057650000000000 ] - [ 0.0007771700000000, -0.0000521500000000, 0.0006172600000000 ] - [ 0.0036550300000000, 0.0000000000000000, -0.0203049500000000 ] - [ -0.1370458800000000, 0.0000000000000000, -0.0080676400000000 ] - [ 0.0032199500000000, -0.0001351300000000, -0.0011656700000000 ] - [ -0.0002578100000000, 0.0000000000000000, 0.0001227300000000 ] - [ -0.0016868000000000, -0.0005267600000000, -0.0006261900000000 ] - [ 0.0032199500000000, 0.0001351300000000, -0.0011656700000000 ] - [ 0.0004096100000000, 0.0000000000000000, -0.0006604600000000 ] - [ 0.0000611500000000, 0.0001631000000000, 0.0001937800000000 ] - [ 0.0007638800000000, 0.0000000000000000, 0.0000639400000000 ] - [ 0.0007734100000000, 0.0000000000000000, -0.0011896600000000 ] - [ -0.0000274400000000, 0.0000000000000000, 0.0003695300000000 ] - [ -0.0000448900000000, 0.0002421700000000, 0.0002472400000000 ] - [ 0.0000611500000000, -0.0001631000000000, 0.0001937800000000 ] - [ 0.0000653600000000, 0.0000000000000000, 0.0005203500000000 ] - [ -0.0000448900000000, -0.0002421700000000, 0.0002472400000000 ] - [ 0.0000747400000000, 0.0000000000000000, 0.0003334700000000 ] - [ 0.0002366000000000, 0.0000000000000000, 0.0001236300000000 ] - [ -0.0000717400000000, 0.0001183900000000, 0.0005058300000000 ] - [ -0.0000610500000000, -0.0001216500000000, 0.0005022200000000 ] - [ 0.0000714000000000, 0.0000369400000000, 0.0001031500000000 ] - [ 0.0001806300000000, 0.0000000000000000, -0.0002085100000000 ] - [ -0.0000890100000000, -0.0000488300000000, 0.0001525000000000 ] - [ -0.0003911200000000, 0.0000000000000000, -0.0005483700000000 ] - [ -0.0012027500000000, -0.0000179600000000, -0.0010910500000000 ] - [ -0.0005892400000000, 0.0000000000000000, 0.0000256900000000 ] - [ -0.0002793200000000, 0.0000000000000000, -0.0001312700000000 ] - [ -0.0001689600000000, 0.0000765700000000, -0.0004596600000000 ] - [ -0.0011113200000000, 0.0000000000000000, -0.0019158000000000 ] - [ -0.0012027500000000, 0.0000179600000000, -0.0010910500000000 ] - [ 0.0002734200000000, 0.0000000000000000, -0.0010213100000000 ] - [ -0.0001689600000000, -0.0000765700000000, -0.0004596600000000 ] - [ 0.0164828000000000, -0.0074572800000000, 0.0017074000000000 ] - [ 0.0031904500000000, 0.0000000000000000, -0.0098248900000000 ] - [ 0.0010373700000000, 0.0000000000000000, -0.0020012500000000 ] - [ 0.0164828000000000, 0.0074572800000000, 0.0017074000000000 ] - [ -0.0008225100000000, -0.0025583400000000, 0.0057650000000000 ] - [ -0.0024151300000000, 0.0000000000000000, -0.0028403700000000 ] - [ -0.0084976600000000, 0.0000000000000000, -0.0008812000000000 ] - [ 0.0022389900000000, 0.0011618800000000, -0.0013015000000000 ] - [ -0.0016868000000000, 0.0005267600000000, -0.0006261900000000 ] - [ 0.0028521300000000, 0.0000000000000000, 0.0019179900000000 ] - [ 0.0075717900000000, 0.0000000000000000, -0.0001001900000000 ] - [ -0.0048519100000000, -0.0042926000000000, 0.0091292400000000 ] - [ 0.0004025400000000, 0.0000000000000000, 0.0002369200000000 ] - [ 0.0007771700000000, 0.0000521500000000, 0.0006172600000000 ] - [ -0.0048519100000000, 0.0042926000000000, 0.0091292400000000 ] - [ -0.0007081800000000, 0.0000000000000000, 0.0010191200000000 ] - [ -0.0000299300000000, 0.0001664000000000, 0.0002488500000000 ] - [ 0.0000330600000000, 0.0000000000000000, 0.0001306100000000 ] - [ -0.0000796500000000, 0.0000000000000000, 0.0009689300000000 ] - [ -0.0000632600000000, 0.0000000000000000, 0.0004335400000000 ] - [ 0.0000508300000000, 0.0001470200000000, 0.0007816100000000 ] - [ -0.0000299300000000, -0.0001664000000000, 0.0002488500000000 ] - [ 0.0000670200000000, 0.0000000000000000, 0.0006460700000000 ] - [ 0.0000508300000000, -0.0001470200000000, 0.0007816100000000 ] - [ 0.0000292100000000, 0.0000000000000000, 0.0003827600000000 ] - [ 0.0001760800000000, 0.0000000000000000, 0.0000089000000000 ] - [ -0.0000610500000000, 0.0001216500000000, 0.0005022200000000 ] - [ -0.0000717400000000, -0.0001183900000000, 0.0005058300000000 ]- atom: 79 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0000847500000000, 0.0000000000000000, 0.0004040100000000 ] - [ -0.0002740800000000, 0.0000000000000000, -0.0001372700000000 ] - [ -0.0001345400000000, 0.0000414500000000, -0.0001019300000000 ] - [ -0.0018589300000000, 0.0000000000000000, -0.0000520000000000 ] - [ 0.0003156800000000, -0.0000600700000000, 0.0000784500000000 ] - [ 0.0018809800000000, -0.0002212100000000, 0.0025831200000000 ] - [ 0.0005623000000000, 0.0000000000000000, 0.0007396400000000 ] - [ 0.0018809800000000, 0.0002212100000000, 0.0025831200000000 ] - [ -0.0004140700000000, 0.0000000000000000, 0.0010143600000000 ] - [ 0.0073124500000000, 0.0000000000000000, -0.0051800000000000 ] - [ 0.0079800400000000, 0.0005420600000000, 0.0029252700000000 ] - [ -0.0002625100000000, 0.0000000000000000, -0.0011893500000000 ] - [ -0.0239018800000000, 0.0000000000000000, -0.0028041300000000 ] - [ -0.0086239000000000, 0.0000000000000000, -0.0003858500000000 ] - [ 0.0079800400000000, -0.0005420600000000, 0.0029252700000000 ] - [ -0.0258559700000000, 0.0000000000000000, -0.0006953900000000 ] - [ 0.0008314100000000, 0.0002407700000000, -0.0002858400000000 ] - [ -0.0000719400000000, 0.0000000000000000, 0.0003070400000000 ] - [ -0.0001413700000000, 0.0001113700000000, 0.0005526100000000 ] - [ 0.0003256400000000, 0.0000000000000000, 0.0004243400000000 ] - [ 0.0008314100000000, -0.0002407700000000, -0.0002858400000000 ] - [ -0.0000805300000000, -0.0001191600000000, 0.0004607200000000 ] - [ 0.0004047200000000, 0.0000000000000000, 0.0005930700000000 ] - [ 0.0000428100000000, 0.0000000000000000, -0.0001373800000000 ] - [ 0.0001964500000000, 0.0000000000000000, 0.0002597000000000 ] - [ 0.0001358300000000, 0.0000000000000000, -0.0005531100000000 ] - [ 0.0003156800000000, 0.0000600700000000, 0.0000784500000000 ] - [ 0.0012339300000000, 0.0000000000000000, -0.0005071600000000 ] - [ -0.0001345400000000, -0.0000414500000000, -0.0001019300000000 ] - [ 0.0005837300000000, 0.0020826400000000, -0.0029676700000000 ] - [ -0.0005313900000000, 0.0000000000000000, -0.0004642900000000 ] - [ 0.0005837300000000, -0.0020826400000000, -0.0029676700000000 ] - [ 0.0001217700000000, 0.0000000000000000, -0.0008037900000000 ] - [ -0.0035249800000000, 0.0000000000000000, 0.0036519000000000 ] - [ -0.0246166200000000, -0.0021352300000000, 0.0001843900000000 ] - [ 0.0004641700000000, 0.0000000000000000, 0.0003397600000000 ] - [ 0.0054489800000000, 0.0000000000000000, -0.0003844600000000 ] - [ 0.0026779300000000, 0.0000000000000000, -0.0002036800000000 ] - [ -0.0246166200000000, 0.0021352300000000, 0.0001843900000000 ] - [ 0.0073361600000000, 0.0000000000000000, -0.0065616000000000 ] - [ -0.0009806300000000, 0.0000676100000000, 0.0006033500000000 ] - [ -0.0001702900000000, 0.0000000000000000, 0.0003406300000000 ] - [ -0.0000805300000000, 0.0001191600000000, 0.0004607200000000 ] - [ 0.0000280900000000, 0.0000000000000000, 0.0007420600000000 ] - [ -0.0009806300000000, -0.0000676100000000, 0.0006033500000000 ] - [ -0.0001413700000000, -0.0001113700000000, 0.0005526100000000 ] - [ 0.0000777100000000, 0.0000000000000000, 0.0002338100000000 ] - [ 0.0000220100000000, 0.0000000000000000, -0.0000429900000000 ] - [ 0.0079143500000000, 0.0000000000000000, 0.0025569700000000 ] - [ 0.0008095000000000, 0.0000000000000000, 0.0014185200000000 ] - [ 0.0001963800000000, 0.0000000000000000, 0.0005442200000000 ] - [ 0.0040337900000000, 0.0000000000000000, -0.0020220800000000 ] - [ -0.0033516200000000, 0.0000000000000000, -0.0031583000000000 ] - [ -0.0007939200000000, 0.0000000000000000, -0.0013086800000000 ] - [ 0.0000713300000000, 0.0000000000000000, 0.0005300900000000 ] - [ -0.0000114400000000, 0.0000000000000000, 0.0015544200000000 ] - [ 0.0000729800000000, 0.0000249900000000, 0.0000668200000000 ] - [ 0.0002014400000000, 0.0000000000000000, -0.0002616900000000 ] - [ -0.0000870000000000, -0.0000366700000000, 0.0001158100000000 ] - [ -0.0003822400000000, 0.0000000000000000, -0.0005978300000000 ] - [ -0.0010546900000000, -0.0002137200000000, -0.0008727200000000 ] - [ -0.0006042300000000, 0.0000000000000000, 0.0000709400000000 ] - [ -0.0002881000000000, 0.0000000000000000, -0.0001851300000000 ] - [ -0.0001936400000000, 0.0000746400000000, -0.0005448300000000 ] - [ -0.0017197400000000, 0.0000000000000000, -0.0017930700000000 ] - [ -0.0010546900000000, 0.0002137200000000, -0.0008727200000000 ] - [ 0.0000197400000000, 0.0000000000000000, -0.0013737800000000 ] - [ -0.0001936400000000, -0.0000746400000000, -0.0005448300000000 ] - [ -0.0118027500000000, 0.0102512400000000, 0.0014112400000000 ] - [ -0.0023668000000000, 0.0000000000000000, -0.0018560300000000 ] - [ 0.0001510100000000, 0.0000000000000000, -0.0017832300000000 ] - [ -0.0118027500000000, -0.0102512400000000, 0.0014112400000000 ] - [ -0.0023426400000000, 0.0008622600000000, 0.0013252600000000 ] - [ -0.0029649100000000, 0.0000000000000000, -0.0029037200000000 ] - [ -0.0060816400000000, 0.0000000000000000, -0.0004494300000000 ] - [ 0.0007760800000000, -0.0022585400000000, -0.0056990800000000 ] - [ -0.0008215500000000, -0.0000359700000000, -0.0003095100000000 ] - [ -0.0033875200000000, 0.0000000000000000, 0.0199846400000000 ] - [ 0.1351139500000000, 0.0000000000000000, 0.0048375700000000 ] - [ -0.0033936800000000, 0.0000726400000000, 0.0001610300000000 ] - [ 0.0004769200000000, 0.0000000000000000, 0.0001879900000000 ] - [ 0.0016495700000000, 0.0006174000000000, 0.0009272900000000 ] - [ -0.0033936800000000, -0.0000726400000000, 0.0001610300000000 ] - [ -0.0007940000000000, 0.0000000000000000, 0.0002675500000000 ] - [ -0.0000209300000000, 0.0001620500000000, 0.0002105500000000 ] - [ 0.0000496700000000, 0.0000000000000000, 0.0002301100000000 ] - [ -0.0006436800000000, 0.0000000000000000, 0.0009243900000000 ] - [ -0.0000612700000000, 0.0000000000000000, 0.0003770800000000 ] - [ 0.0000346600000000, 0.0001304500000000, 0.0006651700000000 ] - [ -0.0000209300000000, -0.0001620500000000, 0.0002105500000000 ] - [ 0.0000686500000000, 0.0000000000000000, 0.0005875500000000 ] - [ 0.0000346600000000, -0.0001304500000000, 0.0006651700000000 ] - [ 0.0000388000000000, 0.0000000000000000, 0.0003451200000000 ] - [ 0.0001669500000000, 0.0000000000000000, -0.0000431500000000 ] - [ -0.0000670100000000, 0.0001297000000000, 0.0004607800000000 ] - [ -0.0000776300000000, -0.0001262800000000, 0.0004641300000000 ] - [ -0.0000870000000000, 0.0000366700000000, 0.0001158100000000 ] - [ -0.0003838200000000, 0.0000000000000000, -0.0003113400000000 ] - [ 0.0000729800000000, -0.0000249900000000, 0.0000668200000000 ] - [ -0.0002943800000000, 0.0000000000000000, -0.0004715600000000 ] - [ 0.0009350000000000, -0.0002097200000000, 0.0004201400000000 ] - [ 0.0001978100000000, 0.0000000000000000, -0.0000017600000000 ] - [ -0.0001606500000000, 0.0000000000000000, 0.0000047700000000 ] - [ -0.0000013500000000, -0.0000609000000000, 0.0001316700000000 ] - [ 0.0001990700000000, 0.0000000000000000, 0.0011646300000000 ] - [ 0.0009350000000000, 0.0002097200000000, 0.0004201400000000 ] - [ -0.0004393400000000, 0.0000000000000000, 0.0005596100000000 ] - [ -0.0000013500000000, 0.0000609000000000, 0.0001316700000000 ] - [ -0.0163005000000000, 0.0074026700000000, -0.0018169300000000 ] - [ -0.0027892100000000, 0.0000000000000000, 0.0095773100000000 ] - [ -0.0004595100000000, 0.0000000000000000, 0.0022099800000000 ] - [ -0.0163005000000000, -0.0074026700000000, -0.0018169300000000 ] - [ 0.0007760800000000, 0.0022585400000000, -0.0056990800000000 ] - [ 0.0023384600000000, 0.0000000000000000, 0.0029679100000000 ] - [ 0.0081530400000000, 0.0000000000000000, 0.0001717900000000 ] - [ -0.0023426400000000, -0.0008622600000000, 0.0013252600000000 ] - [ 0.0016495700000000, -0.0006174000000000, 0.0009272900000000 ] - [ -0.0025919700000000, 0.0000000000000000, -0.0023805200000000 ] - [ -0.0072203400000000, 0.0000000000000000, -0.0003420400000000 ] - [ 0.0046179000000000, 0.0042412100000000, -0.0101776200000000 ] - [ -0.0001845500000000, 0.0000000000000000, 0.0000781000000000 ] - [ -0.0008215500000000, 0.0000359700000000, -0.0003095100000000 ] - [ 0.0046179000000000, -0.0042412100000000, -0.0101776200000000 ] - [ 0.0003183900000000, 0.0000000000000000, -0.0014260100000000 ] - [ 0.0000699800000000, 0.0001587500000000, 0.0001546200000000 ] - [ 0.0007815600000000, 0.0000000000000000, 0.0001608900000000 ] - [ 0.0002034800000000, 0.0000000000000000, -0.0012435700000000 ] - [ -0.0000255700000000, 0.0000000000000000, 0.0003128700000000 ] - [ -0.0000646600000000, 0.0002257700000000, 0.0001290000000000 ] - [ 0.0000699800000000, -0.0001587500000000, 0.0001546200000000 ] - [ 0.0000662000000000, 0.0000000000000000, 0.0004615800000000 ] - [ -0.0000646600000000, -0.0002257700000000, 0.0001290000000000 ] - [ 0.0000842000000000, 0.0000000000000000, 0.0002959300000000 ] - [ 0.0002274700000000, 0.0000000000000000, 0.0000719900000000 ] - [ -0.0000776300000000, 0.0001262800000000, 0.0004641300000000 ] - [ -0.0000670100000000, -0.0001297000000000, 0.0004607800000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001444200000000, 0.0000033400000000, 0.0002957100000000 ] - [ -0.0000622700000000, -0.0000168800000000, -0.0003884700000000 ] - [ 0.0000713700000000, 0.0000406400000000, -0.0000452100000000 ] - [ -0.0001170600000000, 0.0003250300000000, -0.0003568200000000 ] - [ 0.0000905800000000, -0.0000387000000000, -0.0000295100000000 ] - [ -0.0023962000000000, 0.0002084300000000, -0.0017131600000000 ] - [ -0.0000983800000000, -0.0000285600000000, 0.0000834900000000 ] - [ 0.0023559900000000, 0.0001959900000000, 0.0017305200000000 ] - [ -0.0000990900000000, 0.0000728600000000, 0.0000613900000000 ] - [ 0.0000142500000000, 0.0033503300000000, -0.0000179200000000 ] - [ -0.0017213100000000, -0.0000655000000000, -0.0019376600000000 ] - [ 0.0000471400000000, 0.0003972800000000, -0.0002082400000000 ] - [ 0.0002783700000000, 0.0205494600000000, 0.0000590100000000 ] - [ 0.0000409600000000, 0.0062889400000000, -0.0003245600000000 ] - [ 0.0019311700000000, 0.0000850800000000, 0.0012026900000000 ] - [ 0.0002800200000000, 0.0200809100000000, -0.0001734800000000 ] - [ 0.0000473100000000, 0.0000426300000000, 0.0000123400000000 ] - [ -0.0001211600000000, 0.0000037200000000, 0.0002938200000000 ] - [ -0.0001070700000000, 0.0001180800000000, 0.0004762400000000 ] - [ 0.0002069500000000, 0.0000375700000000, 0.0005456100000000 ] - [ 0.0000689400000000, -0.0000400200000000, -0.0000068700000000 ] - [ -0.0001107300000000, -0.0001167900000000, 0.0004725700000000 ] - [ 0.0001967900000000, -0.0000295700000000, 0.0003788700000000 ] - [ 0.0000321200000000, 0.0000008300000000, -0.0001258300000000 ] - [ 0.0001446000000000, 0.0000022400000000, 0.0002954300000000 ] - [ -0.0000615700000000, -0.0000116400000000, -0.0003889600000000 ] - [ 0.0000697500000000, 0.0000408000000000, -0.0000427600000000 ] - [ -0.0001127800000000, -0.0000245700000000, -0.0003560000000000 ] - [ 0.0000877500000000, -0.0000387100000000, -0.0000277000000000 ] - [ -0.0000521400000000, 0.0001704000000000, 0.0001357300000000 ] - [ -0.0000990700000000, -0.0001298000000000, 0.0000822000000000 ] - [ 0.0000194400000000, 0.0001348700000000, -0.0001299100000000 ] - [ -0.0000983900000000, 0.0000322300000000, 0.0000587900000000 ] - [ 0.0000269100000000, -0.0081858600000000, 0.0000130500000000 ] - [ 0.0025109500000000, 0.0170506800000000, -0.0041790300000000 ] - [ 0.0000464300000000, 0.0000007000000000, -0.0002098000000000 ] - [ 0.0003070200000000, -0.0005911500000000, -0.0001102200000000 ] - [ 0.0000296400000000, -0.0001988300000000, -0.0003303500000000 ] - [ -0.0032176300000000, 0.0186098800000000, 0.0045488600000000 ] - [ 0.0003644300000000, -0.0038694300000000, -0.0001671100000000 ] - [ -0.0001508700000000, 0.0000550900000000, -0.0004463900000000 ] - [ -0.0001210900000000, 0.0000022700000000, 0.0002938500000000 ] - [ -0.0001066900000000, 0.0001180800000000, 0.0004760000000000 ] - [ 0.0002071700000000, 0.0000268500000000, 0.0005453200000000 ] - [ 0.0002699000000000, -0.0000282200000000, 0.0004501500000000 ] - [ -0.0001104900000000, -0.0001166100000000, 0.0004720900000000 ] - [ 0.0001970700000000, -0.0000595400000000, 0.0003792300000000 ] - [ 0.0000321600000000, -0.0000009000000000, -0.0001255500000000 ] - [ -0.0000810200000000, 0.0027241000000000, -0.0002089400000000 ] - [ 0.0000275000000000, 0.0004745800000000, 0.0000167500000000 ] - [ 0.0001318100000000, -0.0000041700000000, 0.0005119000000000 ] - [ -0.0000172800000000, 0.0002022600000000, -0.0002629600000000 ] - [ -0.0001256400000000, -0.0070329200000000, -0.0001983000000000 ] - [ 0.0000289400000000, -0.0004220000000000, 0.0000134100000000 ] - [ 0.0001319700000000, -0.0000052500000000, 0.0005118000000000 ] - [ -0.0000132300000000, -0.0043568300000000, -0.0002654200000000 ] - [ -0.0000059500000000, 0.0000364700000000, 0.0001063200000000 ] - [ -0.0001013700000000, -0.0000063300000000, -0.0002597900000000 ] - [ -0.0000105300000000, -0.0000374200000000, 0.0001113600000000 ] - [ -0.0003425800000000, -0.0000055500000000, -0.0005107900000000 ] - [ -0.0001588100000000, -0.0001176700000000, -0.0003253800000000 ] - [ -0.0001953000000000, 0.0000005400000000, 0.0000113200000000 ] - [ -0.0002198600000000, 0.0000064800000000, -0.0000644800000000 ] - [ -0.0001067500000000, 0.0000188900000000, -0.0002080800000000 ] - [ -0.0004516700000000, -0.0012845500000000, -0.0003750400000000 ] - [ -0.0001043200000000, 0.0001097600000000, -0.0003456300000000 ] - [ -0.0000819000000000, -0.0005530100000000, -0.0002304800000000 ] - [ -0.0000628400000000, 0.0000030600000000, -0.0001206800000000 ] - [ -0.0076930300000000, 0.0059730800000000, 0.0008621900000000 ] - [ 0.0001963900000000, 0.0013253500000000, -0.0000863300000000 ] - [ 0.0002892000000000, 0.0009153000000000, 0.0001072700000000 ] - [ 0.0075560800000000, 0.0058864400000000, -0.0009822500000000 ] - [ -0.0002025400000000, -0.0000836800000000, 0.0006189700000000 ] - [ -0.0000537000000000, -0.0017214900000000, 0.0000611600000000 ] - [ -0.0001839500000000, -0.0017761000000000, -0.0003442200000000 ] - [ 0.0050855600000000, 0.0025251700000000, 0.0076034000000000 ] - [ -0.0000187500000000, -0.0000289900000000, 0.0001925800000000 ] - [ 0.0001585900000000, -0.0050416700000000, -0.0002877300000000 ] - [ 0.0012209700000000, -0.1260997100000000, -0.0015916300000000 ] - [ -0.0003976800000000, 0.0000414100000000, -0.0000696800000000 ] - [ 0.0001087600000000, -0.0000843500000000, 0.0001558800000000 ] - [ -0.0005923900000000, -0.0002038600000000, 0.0008124800000000 ] - [ 0.0002152800000000, 0.0001053600000000, -0.0009422000000000 ] - [ -0.0001944700000000, 0.0000567800000000, -0.0001968400000000 ] - [ 0.0000240600000000, 0.0001607900000000, 0.0001956400000000 ] - [ 0.0004073900000000, -0.0000077100000000, 0.0001459700000000 ] - [ 0.0000651800000000, -0.0000550700000000, -0.0001362500000000 ] - [ -0.0000442500000000, -0.0000006900000000, 0.0003729700000000 ] - [ 0.0000507300000000, 0.0001822900000000, 0.0003945400000000 ] - [ 0.0000167000000000, -0.0001649900000000, 0.0002086500000000 ] - [ 0.0000665700000000, -0.0000052700000000, 0.0005540800000000 ] - [ -0.0000623500000000, -0.0001906400000000, 0.0005169400000000 ] - [ 0.0000571500000000, 0.0000009400000000, 0.0003387800000000 ] - [ 0.0002018000000000, 0.0000053200000000, 0.0000403700000000 ] - [ -0.0000694200000000, 0.0001247500000000, 0.0004816600000000 ] - [ -0.0000697300000000, -0.0001238100000000, 0.0004840300000000 ] - [ -0.0000052000000000, 0.0000364100000000, 0.0001064000000000 ] - [ -0.0001021700000000, -0.0000000900000000, -0.0002601400000000 ] - [ -0.0000092900000000, -0.0000373900000000, 0.0001113300000000 ] - [ -0.0003425000000000, -0.0000029400000000, -0.0005105900000000 ] - [ 0.0000489000000000, -0.0000856800000000, -0.0004380000000000 ] - [ -0.0001939800000000, 0.0000071400000000, 0.0000112000000000 ] - [ -0.0002196100000000, 0.0000032400000000, -0.0000640900000000 ] - [ -0.0000692000000000, 0.0000138400000000, -0.0001921400000000 ] - [ -0.0004462300000000, 0.0008736800000000, -0.0003786600000000 ] - [ -0.0003077700000000, 0.0001443200000000, -0.0002282100000000 ] - [ -0.0000820500000000, 0.0000357800000000, -0.0002291500000000 ] - [ -0.0001001100000000, -0.0000014000000000, -0.0001346500000000 ] - [ -0.0103014000000000, 0.0017511400000000, -0.0009155000000000 ] - [ 0.0001736200000000, -0.0034812500000000, -0.0000490500000000 ] - [ 0.0002853900000000, -0.0000211800000000, 0.0001148300000000 ] - [ 0.0103000000000000, 0.0016369800000000, 0.0007908100000000 ] - [ -0.0052147900000000, 0.0022130000000000, -0.0076251100000000 ] - [ -0.0000612500000000, 0.0023113600000000, 0.0000783200000000 ] - [ -0.0002106200000000, 0.0394333400000000, -0.0003452100000000 ] - [ 0.0000893300000000, 0.0002087200000000, -0.0005795500000000 ] - [ 0.0005465700000000, -0.0002878400000000, -0.0005113100000000 ] - [ 0.0001320100000000, 0.0010275700000000, -0.0002441000000000 ] - [ 0.0001637400000000, 0.0016858600000000, -0.0002209200000000 ] - [ -0.0041931100000000, 0.0035619200000000, -0.0166623500000000 ] - [ 0.0001092600000000, 0.0000115300000000, 0.0001559600000000 ] - [ -0.0000224500000000, 0.0000580100000000, 0.0001103400000000 ] - [ 0.0040488100000000, 0.0035880500000000, 0.0157649700000000 ] - [ -0.0001933800000000, -0.0012852500000000, -0.0001946200000000 ] - [ 0.0000211500000000, 0.0001615300000000, 0.0001971100000000 ] - [ 0.0004066800000000, 0.0000359400000000, 0.0001461200000000 ] - [ 0.0000641000000000, 0.0006479700000000, -0.0001338800000000 ] - [ -0.0000442300000000, -0.0000004900000000, 0.0003729000000000 ] - [ -0.0000438000000000, 0.0001869600000000, 0.0003903300000000 ] - [ 0.0000194400000000, -0.0001642200000000, 0.0002071400000000 ] - [ 0.0000666000000000, -0.0000059200000000, 0.0005542100000000 ] - [ 0.0000324700000000, -0.0001858800000000, 0.0005222000000000 ] - [ 0.0000571600000000, 0.0000007700000000, 0.0003388100000000 ] - [ 0.0002016800000000, 0.0000043100000000, 0.0000401800000000 ] - [ -0.0000690900000000, 0.0001247700000000, 0.0004815500000000 ] - [ -0.0000695900000000, -0.0001238900000000, 0.0004837900000000 ]- atom: 79 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001222000000000, 0.0000000000000000, -0.0027770700000000 ] - [ -0.0000470900000000, 0.0000000000000000, -0.0030993500000000 ] - [ 0.0002056800000000, 0.0000744300000000, -0.0027175700000000 ] - [ 0.0003786800000000, 0.0000000000000000, -0.0040110700000000 ] - [ -0.0001203400000000, -0.0000915300000000, -0.0025534300000000 ] - [ -0.0059418300000000, 0.0004115500000000, -0.0038021300000000 ] - [ -0.0010748600000000, 0.0000000000000000, -0.0024565800000000 ] - [ -0.0059418300000000, -0.0004115500000000, -0.0038021300000000 ] - [ -0.0001711900000000, 0.0000000000000000, -0.0034138000000000 ] - [ 0.0040709800000000, 0.0000000000000000, 0.0096667300000000 ] - [ -0.0015231700000000, -0.0003265300000000, 0.0057478400000000 ] - [ 0.0016514300000000, 0.0000000000000000, -0.0036778800000000 ] - [ 0.0067073500000000, 0.0000000000000000, 0.0533086300000000 ] - [ 0.0014524300000000, 0.0000000000000000, -0.0099246500000000 ] - [ -0.0015231700000000, 0.0003265300000000, 0.0057478400000000 ] - [ 0.0078023400000000, 0.0000000000000000, 0.0336282200000000 ] - [ 0.0004361600000000, 0.0003158100000000, -0.0015007000000000 ] - [ -0.0001700500000000, 0.0000000000000000, -0.0022909000000000 ] - [ -0.0001797100000000, 0.0001308100000000, -0.0022102800000000 ] - [ 0.0004172700000000, 0.0000000000000000, -0.0023748300000000 ] - [ 0.0004361600000000, -0.0003158100000000, -0.0015007000000000 ] - [ -0.0000419200000000, -0.0001169100000000, -0.0021408800000000 ] - [ -0.0003508700000000, 0.0000000000000000, -0.0022634600000000 ] - [ 0.0000394700000000, 0.0000000000000000, -0.0031760000000000 ] - [ 0.0001814600000000, 0.0000000000000000, -0.0026675500000000 ] - [ 0.0000480500000000, 0.0000000000000000, -0.0028412900000000 ] - [ -0.0001203400000000, 0.0000915300000000, -0.0025534300000000 ] - [ -0.0005276900000000, 0.0000000000000000, -0.0018742700000000 ] - [ 0.0002056800000000, -0.0000744300000000, -0.0027175700000000 ] - [ 0.0031659600000000, 0.0030438600000000, -0.0019518400000000 ] - [ 0.0007105700000000, 0.0000000000000000, -0.0026434800000000 ] - [ 0.0031659600000000, -0.0030438600000000, -0.0019518400000000 ] - [ 0.0001509500000000, 0.0000000000000000, -0.0024856900000000 ] - [ -0.0044028200000000, 0.0000000000000000, 0.0132903400000000 ] - [ 0.0022811100000000, -0.0026415700000000, 0.0332927300000000 ] - [ -0.0016548800000000, 0.0000000000000000, -0.0020590400000000 ] - [ -0.0012940200000000, 0.0000000000000000, 0.0049264100000000 ] - [ -0.0005258100000000, 0.0000000000000000, 0.0009149900000000 ] - [ 0.0022811100000000, 0.0026415700000000, 0.0332927300000000 ] - [ 0.0009380400000000, 0.0000000000000000, 0.0080632000000000 ] - [ -0.0002344600000000, -0.0001981700000000, -0.0039184000000000 ] - [ -0.0000600000000000, 0.0000000000000000, -0.0024256500000000 ] - [ -0.0000419200000000, 0.0001169100000000, -0.0021408800000000 ] - [ 0.0000113900000000, 0.0000000000000000, -0.0027791900000000 ] - [ -0.0002344600000000, 0.0001981700000000, -0.0039184000000000 ] - [ -0.0001797100000000, -0.0001308100000000, -0.0022102800000000 ] - [ 0.0007287300000000, 0.0000000000000000, -0.0025062000000000 ] - [ 0.0000377700000000, 0.0000000000000000, -0.0032269400000000 ] - [ -0.0044663500000000, 0.0000000000000000, 0.0050993000000000 ] - [ -0.0024623500000000, 0.0000000000000000, -0.0003589200000000 ] - [ 0.0000757700000000, 0.0000000000000000, -0.0013724600000000 ] - [ 0.0043432800000000, 0.0000000000000000, 0.0012664300000000 ] - [ 0.0031297600000000, 0.0000000000000000, 0.0065703100000000 ] - [ 0.0025023600000000, 0.0000000000000000, -0.0009905500000000 ] - [ 0.0001856500000000, 0.0000000000000000, -0.0017883900000000 ] - [ -0.0049060700000000, 0.0000000000000000, 0.0004955400000000 ] - [ 0.0001891200000000, 0.0003771400000000, 0.0018225800000000 ] - [ -0.0001395000000000, 0.0000000000000000, 0.0019847100000000 ] - [ 0.0001524600000000, -0.0003535300000000, 0.0017186100000000 ] - [ -0.0006496200000000, 0.0000000000000000, 0.0011577000000000 ] - [ 0.0007455800000000, -0.0000722400000000, 0.0006927500000000 ] - [ -0.0002610600000000, 0.0000000000000000, 0.0016808600000000 ] - [ -0.0001599500000000, 0.0000000000000000, 0.0022298400000000 ] - [ 0.0001899700000000, -0.0001448200000000, 0.0018240700000000 ] - [ 0.0025044600000000, 0.0000000000000000, -0.0008877900000000 ] - [ 0.0007455800000000, 0.0000722400000000, 0.0006927500000000 ] - [ 0.0009328500000000, 0.0000000000000000, 0.0020862900000000 ] - [ 0.0001899700000000, 0.0001448200000000, 0.0018240700000000 ] - [ 0.0026088100000000, -0.0019478600000000, -0.0089092200000000 ] - [ 0.0045803000000000, 0.0000000000000000, -0.0024012000000000 ] - [ 0.0012062000000000, 0.0000000000000000, 0.0038482800000000 ] - [ 0.0026088100000000, 0.0019478600000000, -0.0089092200000000 ] - [ -0.0015101500000000, 0.0003165500000000, -0.0029512400000000 ] - [ 0.0034770100000000, 0.0000000000000000, -0.0034366200000000 ] - [ 0.0008779900000000, 0.0000000000000000, -0.0045161500000000 ] - [ 0.0089774000000000, 0.0081073400000000, 0.0090622000000000 ] - [ 0.0006007300000000, 0.0000331300000000, 0.0003275900000000 ] - [ -0.0180918900000000, 0.0000000000000000, 0.0173735500000000 ] - [ -0.0259284700000000, 0.0000000000000000, -0.2141468500000000 ] - [ -0.0004385500000000, 0.0003935200000000, -0.0034893700000000 ] - [ 0.0000292500000000, 0.0000000000000000, 0.0025796800000000 ] - [ -0.0009674400000000, 0.0004009300000000, 0.0034219200000000 ] - [ -0.0004385500000000, -0.0003935200000000, -0.0034893700000000 ] - [ -0.0008357200000000, 0.0000000000000000, -0.0000243200000000 ] - [ -0.0000260000000000, 0.0001589400000000, 0.0019697300000000 ] - [ 0.0002237000000000, 0.0000000000000000, 0.0016356000000000 ] - [ -0.0013005900000000, 0.0000000000000000, 0.0013961700000000 ] - [ -0.0000656700000000, 0.0000000000000000, 0.0026507900000000 ] - [ -0.0004622700000000, 0.0000555400000000, 0.0021941300000000 ] - [ -0.0000260000000000, -0.0001589400000000, 0.0019697300000000 ] - [ -0.0000313900000000, 0.0000000000000000, 0.0024254900000000 ] - [ -0.0004622700000000, -0.0000555400000000, 0.0021941300000000 ] - [ -0.0003648800000000, 0.0000000000000000, 0.0019630900000000 ] - [ 0.0002966900000000, 0.0000000000000000, 0.0021989700000000 ] - [ 0.0001140700000000, -0.0002335900000000, 0.0021446400000000 ] - [ 0.0001502900000000, 0.0002269700000000, 0.0021309000000000 ] - [ 0.0001524600000000, 0.0003535300000000, 0.0017186100000000 ] - [ -0.0000048600000000, 0.0000000000000000, 0.0015817200000000 ] - [ 0.0001891200000000, -0.0003771400000000, 0.0018225800000000 ] - [ -0.0007694800000000, 0.0000000000000000, 0.0011555100000000 ] - [ -0.0006394000000000, -0.0007422200000000, 0.0015703000000000 ] - [ -0.0004411000000000, 0.0000000000000000, 0.0020222400000000 ] - [ -0.0002657700000000, 0.0000000000000000, 0.0021841900000000 ] - [ -0.0002624500000000, -0.0001203500000000, 0.0016041300000000 ] - [ -0.0023251900000000, 0.0000000000000000, -0.0008390500000000 ] - [ -0.0006394000000000, 0.0007422200000000, 0.0015703000000000 ] - [ -0.0007287600000000, 0.0000000000000000, 0.0004613600000000 ] - [ -0.0002624500000000, 0.0001203500000000, 0.0016041300000000 ] - [ 0.0011200800000000, -0.0003832800000000, -0.0077929500000000 ] - [ -0.0112179800000000, 0.0000000000000000, 0.0077205500000000 ] - [ -0.0010453600000000, 0.0000000000000000, 0.0023476100000000 ] - [ 0.0011200800000000, 0.0003832800000000, -0.0077929500000000 ] - [ 0.0089774000000000, -0.0081073400000000, 0.0090622000000000 ] - [ -0.0036091100000000, 0.0000000000000000, -0.0053988200000000 ] - [ -0.0013323900000000, 0.0000000000000000, -0.0128452500000000 ] - [ -0.0015101500000000, -0.0003165500000000, -0.0029512400000000 ] - [ -0.0009674400000000, -0.0004009300000000, 0.0034219200000000 ] - [ 0.0024559600000000, 0.0000000000000000, -0.0031852900000000 ] - [ 0.0013521000000000, 0.0000000000000000, -0.0051217600000000 ] - [ 0.0083997800000000, -0.0155839400000000, 0.0210310800000000 ] - [ 0.0001773000000000, 0.0000000000000000, 0.0013277300000000 ] - [ 0.0006007300000000, -0.0000331300000000, 0.0003275900000000 ] - [ 0.0083997800000000, 0.0155839400000000, 0.0210310800000000 ] - [ 0.0008613300000000, 0.0000000000000000, 0.0032480500000000 ] - [ 0.0000667700000000, 0.0001709800000000, 0.0021918100000000 ] - [ 0.0002623400000000, 0.0000000000000000, 0.0024659700000000 ] - [ 0.0015069200000000, 0.0000000000000000, 0.0031890800000000 ] - [ -0.0000189600000000, 0.0000000000000000, 0.0027463200000000 ] - [ 0.0006119100000000, 0.0000390600000000, 0.0025582500000000 ] - [ 0.0000667700000000, -0.0001709800000000, 0.0021918100000000 ] - [ 0.0001568300000000, 0.0000000000000000, 0.0024401200000000 ] - [ 0.0006119100000000, -0.0000390600000000, 0.0025582500000000 ] - [ -0.0003306100000000, 0.0000000000000000, 0.0020169400000000 ] - [ 0.0001087900000000, 0.0000000000000000, 0.0022053300000000 ] - [ 0.0001502900000000, -0.0002269700000000, 0.0021309000000000 ] - [ 0.0001140700000000, 0.0002335900000000, 0.0021446400000000 ]- atom: 79 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001671800000000, 0.0000000000000000, 0.0033754800000000 ] - [ -0.0000767000000000, 0.0000000000000000, 0.0023283800000000 ] - [ -0.0000467100000000, 0.0000043800000000, 0.0026517000000000 ] - [ -0.0006088800000000, 0.0000000000000000, 0.0033144300000000 ] - [ 0.0002813300000000, 0.0000128600000000, 0.0024859800000000 ] - [ 0.0059395100000000, -0.0004034400000000, 0.0038263400000000 ] - [ 0.0008824200000000, 0.0000000000000000, 0.0026257000000000 ] - [ 0.0059395100000000, 0.0004034400000000, 0.0038263400000000 ] - [ -0.0000239900000000, 0.0000000000000000, 0.0035443500000000 ] - [ -0.0041008300000000, 0.0000000000000000, -0.0098014200000000 ] - [ 0.0017309500000000, 0.0001765700000000, -0.0064613300000000 ] - [ -0.0015577400000000, 0.0000000000000000, 0.0032663600000000 ] - [ -0.0062690700000000, 0.0000000000000000, -0.0587263800000000 ] - [ -0.0013676400000000, 0.0000000000000000, 0.0092889000000000 ] - [ 0.0017309500000000, -0.0001765700000000, -0.0064613300000000 ] - [ -0.0056085000000000, 0.0000000000000000, -0.0332141700000000 ] - [ -0.0003193200000000, -0.0002297200000000, 0.0015163700000000 ] - [ -0.0000728900000000, 0.0000000000000000, 0.0028851000000000 ] - [ -0.0000376600000000, 0.0001035500000000, 0.0031649000000000 ] - [ -0.0000033100000000, 0.0000000000000000, 0.0034746200000000 ] - [ -0.0003193200000000, 0.0002297200000000, 0.0015163700000000 ] - [ -0.0001751900000000, -0.0001176300000000, 0.0030958800000000 ] - [ 0.0007433200000000, 0.0000000000000000, 0.0030296000000000 ] - [ 0.0000246800000000, 0.0000000000000000, 0.0029315000000000 ] - [ 0.0001073100000000, 0.0000000000000000, 0.0032654700000000 ] - [ -0.0001731100000000, 0.0000000000000000, 0.0020689500000000 ] - [ 0.0002813300000000, -0.0000128600000000, 0.0024859800000000 ] - [ 0.0003004700000000, 0.0000000000000000, 0.0011614000000000 ] - [ -0.0000467100000000, -0.0000043800000000, 0.0026517000000000 ] - [ -0.0032281400000000, -0.0030548000000000, 0.0019702100000000 ] - [ -0.0009150500000000, 0.0000000000000000, 0.0028155300000000 ] - [ -0.0032281400000000, 0.0030548000000000, 0.0019702100000000 ] - [ -0.0003502400000000, 0.0000000000000000, 0.0026119700000000 ] - [ 0.0044230400000000, 0.0000000000000000, -0.0135053600000000 ] - [ -0.0024518100000000, 0.0018631200000000, -0.0336928600000000 ] - [ 0.0017404600000000, 0.0000000000000000, 0.0016467800000000 ] - [ 0.0019028000000000, 0.0000000000000000, -0.0051967300000000 ] - [ 0.0005781400000000, 0.0000000000000000, -0.0015545100000000 ] - [ -0.0024518100000000, -0.0018631200000000, -0.0336928600000000 ] - [ -0.0002563200000000, 0.0000000000000000, -0.0083450200000000 ] - [ 0.0003561900000000, 0.0002863200000000, 0.0039251600000000 ] - [ -0.0001822700000000, 0.0000000000000000, 0.0030195500000000 ] - [ -0.0001751900000000, 0.0001176300000000, 0.0030958800000000 ] - [ 0.0004028500000000, 0.0000000000000000, 0.0038771200000000 ] - [ 0.0003561900000000, -0.0002863200000000, 0.0039251600000000 ] - [ -0.0000376600000000, -0.0001035500000000, 0.0031649000000000 ] - [ -0.0003332100000000, 0.0000000000000000, 0.0032729400000000 ] - [ 0.0000268000000000, 0.0000000000000000, 0.0029825700000000 ] - [ 0.0043152700000000, 0.0000000000000000, -0.0055815200000000 ] - [ 0.0025118100000000, 0.0000000000000000, 0.0004009400000000 ] - [ 0.0001875300000000, 0.0000000000000000, 0.0024031700000000 ] - [ -0.0043763100000000, 0.0000000000000000, -0.0017679800000000 ] - [ -0.0033069300000000, 0.0000000000000000, -0.0070627400000000 ] - [ -0.0024361600000000, 0.0000000000000000, 0.0010371500000000 ] - [ 0.0000785500000000, 0.0000000000000000, 0.0028177400000000 ] - [ 0.0048801900000000, 0.0000000000000000, -0.0009916000000000 ] - [ -0.0002051400000000, -0.0003039100000000, -0.0016098400000000 ] - [ -0.0000641700000000, 0.0000000000000000, -0.0025125200000000 ] - [ -0.0001680500000000, 0.0002802200000000, -0.0015051300000000 ] - [ -0.0000351200000000, 0.0000000000000000, -0.0021833200000000 ] - [ -0.0010108400000000, -0.0001555900000000, -0.0013608900000000 ] - [ -0.0001279700000000, 0.0000000000000000, -0.0016630900000000 ] - [ -0.0002798600000000, 0.0000000000000000, -0.0023640700000000 ] - [ -0.0003608300000000, 0.0001610400000000, -0.0021579000000000 ] - [ -0.0034294600000000, 0.0000000000000000, 0.0001577200000000 ] - [ -0.0010108400000000, 0.0001555900000000, -0.0013608900000000 ] - [ -0.0011051800000000, 0.0000000000000000, -0.0025517400000000 ] - [ -0.0003608300000000, -0.0001610400000000, -0.0021579000000000 ] - [ -0.0025739200000000, 0.0019835000000000, 0.0088276200000000 ] - [ -0.0042166000000000, 0.0000000000000000, 0.0022673100000000 ] - [ -0.0006355700000000, 0.0000000000000000, -0.0036455100000000 ] - [ -0.0025739200000000, -0.0019835000000000, 0.0088276200000000 ] - [ 0.0014189900000000, -0.0006190000000000, 0.0030215700000000 ] - [ -0.0035768900000000, 0.0000000000000000, 0.0035465700000000 ] - [ -0.0012476800000000, 0.0000000000000000, 0.0038398700000000 ] - [ -0.0091911700000000, -0.0079518900000000, -0.0091569200000000 ] - [ -0.0006387200000000, -0.0001194300000000, -0.0000343300000000 ] - [ 0.0181130400000000, 0.0000000000000000, -0.0176923400000000 ] - [ 0.0256804500000000, 0.0000000000000000, 0.2170607400000000 ] - [ 0.0002654900000000, -0.0004542000000000, 0.0024598800000000 ] - [ 0.0001879300000000, 0.0000000000000000, -0.0022726500000000 ] - [ 0.0009192000000000, -0.0003174600000000, -0.0031285700000000 ] - [ 0.0002654900000000, 0.0004542000000000, 0.0024598800000000 ] - [ 0.0004475000000000, 0.0000000000000000, -0.0003821200000000 ] - [ 0.0000665300000000, 0.0001663800000000, -0.0015705400000000 ] - [ 0.0005910200000000, 0.0000000000000000, -0.0013493100000000 ] - [ 0.0014260800000000, 0.0000000000000000, -0.0016719500000000 ] - [ -0.0000227700000000, 0.0000000000000000, -0.0019113600000000 ] - [ 0.0004498600000000, 0.0003170700000000, -0.0012883800000000 ] - [ 0.0000665300000000, -0.0001663800000000, -0.0015705400000000 ] - [ 0.0001649400000000, 0.0000000000000000, -0.0013223100000000 ] - [ 0.0004498600000000, -0.0003170700000000, -0.0012883800000000 ] - [ 0.0004797800000000, 0.0000000000000000, -0.0012905900000000 ] - [ 0.0001078300000000, 0.0000000000000000, -0.0021238200000000 ] - [ -0.0002534900000000, 0.0004827400000000, -0.0011844400000000 ] - [ -0.0002893500000000, -0.0004761100000000, -0.0011706500000000 ] - [ -0.0001680500000000, -0.0002802200000000, -0.0015051300000000 ] - [ -0.0001992400000000, 0.0000000000000000, -0.0021064700000000 ] - [ -0.0002051400000000, 0.0003039100000000, -0.0016098400000000 ] - [ 0.0000856200000000, 0.0000000000000000, -0.0021813500000000 ] - [ 0.0003820400000000, 0.0005194200000000, -0.0022465200000000 ] - [ 0.0000525700000000, 0.0000000000000000, -0.0020071900000000 ] - [ -0.0001731800000000, 0.0000000000000000, -0.0023182100000000 ] - [ 0.0000948700000000, 0.0001364000000000, -0.0019371300000000 ] - [ 0.0014357900000000, 0.0000000000000000, 0.0001059800000000 ] - [ 0.0003820400000000, -0.0005194200000000, -0.0022465200000000 ] - [ 0.0005693700000000, 0.0000000000000000, -0.0009168400000000 ] - [ 0.0000948700000000, -0.0001364000000000, -0.0019371300000000 ] - [ -0.0012563000000000, 0.0004996000000000, 0.0076862800000000 ] - [ 0.0117579900000000, 0.0000000000000000, -0.0079880400000000 ] - [ 0.0016322400000000, 0.0000000000000000, -0.0021376400000000 ] - [ -0.0012563000000000, -0.0004996000000000, 0.0076862800000000 ] - [ -0.0091911700000000, 0.0079518900000000, -0.0091569200000000 ] - [ 0.0035031600000000, 0.0000000000000000, 0.0054943800000000 ] - [ 0.0009854000000000, 0.0000000000000000, 0.0122034300000000 ] - [ 0.0014189900000000, 0.0006190000000000, 0.0030215700000000 ] - [ 0.0009192000000000, 0.0003174600000000, -0.0031285700000000 ] - [ -0.0021829500000000, 0.0000000000000000, 0.0026818200000000 ] - [ -0.0010038700000000, 0.0000000000000000, 0.0046926500000000 ] - [ -0.0084443600000000, 0.0152412400000000, -0.0217042300000000 ] - [ 0.0000420700000000, 0.0000000000000000, -0.0010223600000000 ] - [ -0.0006387200000000, 0.0001194300000000, -0.0000343300000000 ] - [ -0.0084443600000000, -0.0152412400000000, -0.0217042300000000 ] - [ -0.0012504400000000, 0.0000000000000000, -0.0036486300000000 ] - [ -0.0000264600000000, 0.0001543100000000, -0.0017921800000000 ] - [ 0.0005498000000000, 0.0000000000000000, -0.0021777700000000 ] - [ -0.0013736400000000, 0.0000000000000000, -0.0034505300000000 ] - [ -0.0000696000000000, 0.0000000000000000, -0.0020068800000000 ] - [ -0.0006219200000000, 0.0003326600000000, -0.0016497300000000 ] - [ -0.0000264600000000, -0.0001543100000000, -0.0017921800000000 ] - [ -0.0000228800000000, 0.0000000000000000, -0.0013365800000000 ] - [ -0.0006219200000000, -0.0003326600000000, -0.0016497300000000 ] - [ 0.0004453700000000, 0.0000000000000000, -0.0013439300000000 ] - [ 0.0002943100000000, 0.0000000000000000, -0.0021302400000000 ] - [ -0.0002893500000000, 0.0004761100000000, -0.0011706500000000 ] - [ -0.0002534900000000, -0.0004827400000000, -0.0011844400000000 ]- atom: 80 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0001187500000000, -0.0000004200000000, 0.0003261100000000 ] - [ -0.0001127200000000, -0.0000012200000000, -0.0003298600000000 ] - [ 0.0000147300000000, 0.0000422600000000, -0.0000509000000000 ] - [ -0.0005338300000000, 0.0000411100000000, -0.0001593100000000 ] - [ 0.0001442500000000, -0.0000389400000000, -0.0000352400000000 ] - [ 0.0003679000000000, 0.0000619500000000, 0.0006852700000000 ] - [ 0.0001211400000000, -0.0000055000000000, 0.0002294100000000 ] - [ 0.0006918900000000, -0.0000782200000000, 0.0010176700000000 ] - [ -0.0001509100000000, 0.0000019300000000, 0.0002813200000000 ] - [ -0.0004760400000000, 0.0003134300000000, -0.0032191900000000 ] - [ 0.0271336100000000, -0.0008466100000000, 0.0005714800000000 ] - [ -0.0007387500000000, 0.0001226500000000, -0.0021606800000000 ] - [ -0.0019339400000000, 0.0004973200000000, 0.0007594800000000 ] - [ -0.0062324900000000, 0.0000362400000000, -0.0023000200000000 ] - [ 0.0080621900000000, 0.0026934700000000, -0.0057858800000000 ] - [ -0.0089377600000000, 0.0006627000000000, -0.0023789000000000 ] - [ 0.0042433200000000, -0.0005437200000000, -0.0011192200000000 ] - [ 0.0000259800000000, 0.0000045800000000, 0.0003254900000000 ] - [ -0.0001885400000000, 0.0001111300000000, 0.0006078300000000 ] - [ 0.0010491000000000, -0.0000267200000000, 0.0000738500000000 ] - [ 0.0058645800000000, 0.0004325300000000, -0.0007884800000000 ] - [ 0.0000052700000000, -0.0001317600000000, 0.0003231300000000 ] - [ 0.0002925400000000, -0.0002361900000000, 0.0012643300000000 ] - [ 0.0000862300000000, -0.0000012900000000, -0.0001265700000000 ] - [ 0.0001685300000000, -0.0000000700000000, 0.0002523400000000 ] - [ -0.0000087200000000, -0.0000010700000000, -0.0004602800000000 ] - [ 0.0001417200000000, 0.0000390400000000, -0.0000360400000000 ] - [ 0.0003160200000000, -0.0000033100000000, -0.0005515700000000 ] - [ 0.0000170100000000, -0.0000420300000000, -0.0000484600000000 ] - [ -0.0006003900000000, 0.0000143000000000, -0.0007865300000000 ] - [ -0.0003247300000000, -0.0000182800000000, -0.0000639000000000 ] - [ -0.0007034200000000, -0.0000131100000000, -0.0008805800000000 ] - [ -0.0000478700000000, 0.0000012300000000, -0.0001894600000000 ] - [ -0.0013675600000000, -0.0028182700000000, 0.0043620000000000 ] - [ -0.0053233100000000, -0.0025605800000000, 0.0043829700000000 ] - [ -0.0011764400000000, 0.0017788500000000, 0.0028918000000000 ] - [ 0.0023019400000000, -0.0006798100000000, -0.0030109200000000 ] - [ 0.0344645900000000, -0.0138154800000000, -0.0102165800000000 ] - [ -0.0097098600000000, 0.0022886100000000, 0.0026135600000000 ] - [ 0.0245949100000000, -0.0011142400000000, 0.0009692100000000 ] - [ -0.0025839600000000, -0.0002823200000000, 0.0000301500000000 ] - [ -0.0002934700000000, 0.0000142800000000, 0.0002645500000000 ] - [ 0.0000093300000000, 0.0001316000000000, 0.0003231800000000 ] - [ -0.0003899200000000, 0.0001505600000000, 0.0009426600000000 ] - [ -0.0022225000000000, 0.0002682400000000, 0.0002170200000000 ] - [ -0.0002034100000000, -0.0001116100000000, 0.0005908800000000 ] - [ -0.0002536700000000, 0.0000619000000000, -0.0003950700000000 ] - [ -0.0000285300000000, -0.0000019300000000, -0.0001397200000000 ] - [ 0.0039394500000000, 0.0018257900000000, 0.0019603900000000 ] - [ -0.0022589400000000, -0.0018568300000000, 0.0051463100000000 ] - [ 0.0003115600000000, -0.0000135100000000, 0.0006968700000000 ] - [ 0.0265300600000000, -0.0318907200000000, 0.0112215500000000 ] - [ -0.0030710000000000, -0.0000388500000000, -0.0013664000000000 ] - [ -0.0038952600000000, -0.0023702100000000, -0.0059012900000000 ] - [ -0.0000968300000000, -0.0000229000000000, 0.0003568100000000 ] - [ -0.0081472800000000, -0.0006842900000000, 0.0014791500000000 ] - [ 0.0000126400000000, 0.0000327900000000, 0.0000953000000000 ] - [ -0.0000260700000000, -0.0000017000000000, -0.0002743400000000 ] - [ -0.0000283100000000, -0.0000420100000000, 0.0001300200000000 ] - [ -0.0003517000000000, -0.0000003400000000, -0.0005185600000000 ] - [ -0.0004535500000000, -0.0001735500000000, -0.0004676900000000 ] - [ -0.0002926100000000, 0.0000013300000000, 0.0000369200000000 ] - [ -0.0002290500000000, 0.0000005100000000, -0.0000731400000000 ] - [ -0.0001236200000000, 0.0000159200000000, -0.0002481300000000 ] - [ -0.0011410900000000, -0.0002333000000000, -0.0008917000000000 ] - [ -0.0004317100000000, 0.0001706800000000, -0.0004499200000000 ] - [ -0.0001349700000000, -0.0000412900000000, -0.0005764200000000 ] - [ -0.0001215300000000, -0.0000150300000000, -0.0002427700000000 ] - [ 0.0064234400000000, 0.0018202100000000, -0.0131451500000000 ] - [ -0.0015318000000000, 0.0003926500000000, -0.0007701600000000 ] - [ 0.0002388800000000, 0.0000458000000000, -0.0002760000000000 ] - [ -0.0015734700000000, 0.0011918500000000, -0.0027117900000000 ] - [ 0.0002144700000000, 0.0000132800000000, 0.0017068500000000 ] - [ 0.0126116200000000, 0.0082985700000000, 0.0030828400000000 ] - [ -0.0029482100000000, 0.0024457700000000, 0.0040444800000000 ] - [ 0.0002234200000000, 0.0003856500000000, -0.0008332400000000 ] - [ 0.0007911200000000, -0.0011419700000000, -0.0101746500000000 ] - [ 0.0083235600000000, -0.0039029200000000, -0.0005578500000000 ] - [ 0.0034782900000000, -0.0003060700000000, -0.0010620700000000 ] - [ -0.1566844300000000, 0.0554761600000000, -0.0037152000000000 ] - [ 0.0010408100000000, -0.0000144300000000, 0.0006399600000000 ] - [ 0.0021353500000000, -0.0001761100000000, 0.0019085300000000 ] - [ -0.0134375900000000, 0.0019906600000000, -0.0016520100000000 ] - [ -0.0037861800000000, 0.0037659000000000, 0.0071327600000000 ] - [ -0.0002057100000000, 0.0001685000000000, 0.0001942600000000 ] - [ -0.0010594600000000, 0.0002732400000000, -0.0002033800000000 ] - [ -0.0021117300000000, -0.0011947000000000, 0.0030957800000000 ] - [ -0.0000955800000000, -0.0000015000000000, 0.0004194800000000 ] - [ 0.0000484200000000, 0.0002118500000000, 0.0016782700000000 ] - [ -0.0001876100000000, -0.0001703900000000, 0.0002140600000000 ] - [ 0.0000306900000000, 0.0000136700000000, 0.0008368100000000 ] - [ -0.0001319400000000, -0.0001815400000000, 0.0013756700000000 ] - [ -0.0000043000000000, 0.0000016500000000, 0.0003775900000000 ] - [ 0.0001465400000000, 0.0000152500000000, -0.0001730800000000 ] - [ -0.0000075300000000, 0.0001180900000000, 0.0005338600000000 ] - [ -0.0001186900000000, -0.0001299200000000, 0.0004453700000000 ] - [ -0.0000276300000000, 0.0000419400000000, 0.0001288400000000 ] - [ -0.0001793500000000, -0.0000008600000000, -0.0002386100000000 ] - [ 0.0000125700000000, -0.0000328500000000, 0.0000960800000000 ] - [ -0.0003346600000000, -0.0000002400000000, -0.0004937100000000 ] - [ 0.0002064600000000, -0.0000532200000000, -0.0002477600000000 ] - [ -0.0001017400000000, 0.0000023800000000, -0.0000045400000000 ] - [ -0.0002100200000000, 0.0000004800000000, -0.0000430700000000 ] - [ -0.0000401400000000, -0.0000020000000000, -0.0000745700000000 ] - [ 0.0002142100000000, 0.0000699600000000, 0.0000106400000000 ] - [ 0.0001673500000000, 0.0000644000000000, -0.0002043000000000 ] - [ -0.0000256400000000, 0.0000218200000000, 0.0001317100000000 ] - [ -0.0000462100000000, 0.0000032900000000, -0.0000691100000000 ] - [ 0.0022172300000000, -0.0002914900000000, 0.0038124700000000 ] - [ 0.0014960300000000, -0.0000735900000000, 0.0006254100000000 ] - [ 0.0003331500000000, -0.0000288700000000, 0.0005721900000000 ] - [ 0.0027826000000000, 0.0002974200000000, 0.0032153500000000 ] - [ 0.0008254700000000, -0.0006990000000000, -0.0020502900000000 ] - [ 0.0161318700000000, 0.0102130400000000, -0.0033291600000000 ] - [ 0.0036472100000000, 0.0005934300000000, -0.0022254700000000 ] - [ -0.0000717800000000, -0.0000000900000000, 0.0012423100000000 ] - [ 0.0018268500000000, 0.0001042600000000, 0.0017313700000000 ] - [ 0.0312193200000000, -0.0251891800000000, 0.0004633700000000 ] - [ -0.0045273500000000, -0.0041419500000000, 0.0090172300000000 ] - [ 0.0080365200000000, 0.0001550800000000, -0.0002179200000000 ] - [ -0.0019127000000000, -0.0006467200000000, -0.0004834500000000 ] - [ -0.0026300300000000, -0.0006170900000000, -0.0024554500000000 ] - [ 0.0058439900000000, -0.0000522400000000, -0.0003570900000000 ] - [ 0.0021898400000000, 0.0000403000000000, -0.0008568900000000 ] - [ 0.0002244500000000, 0.0001483600000000, 0.0001309600000000 ] - [ 0.0014078900000000, -0.0000158700000000, 0.0002425500000000 ] - [ 0.0022270800000000, -0.0001434100000000, -0.0014489500000000 ] - [ -0.0000014100000000, -0.0000031700000000, 0.0003339000000000 ] - [ 0.0007403500000000, 0.0002244700000000, -0.0005846100000000 ] - [ 0.0001986100000000, -0.0001676500000000, 0.0001891100000000 ] - [ 0.0000927600000000, -0.0000202600000000, 0.0003515600000000 ] - [ 0.0003074600000000, -0.0002748300000000, -0.0000898500000000 ] - [ 0.0001125500000000, 0.0000033200000000, 0.0003029900000000 ] - [ 0.0002748700000000, -0.0000121400000000, 0.0003003000000000 ] - [ -0.0001194000000000, 0.0001305000000000, 0.0004422800000000 ] - [ -0.0000139300000000, -0.0001166000000000, 0.0005368800000000 ]- atom: 80 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0001703700000000, 0.0000006300000000, 0.0002680300000000 ] - [ -0.0000110900000000, 0.0000013800000000, -0.0004469400000000 ] - [ 0.0001449200000000, 0.0000370800000000, -0.0000209800000000 ] - [ 0.0003061900000000, -0.0000409100000000, -0.0005506300000000 ] - [ 0.0000160600000000, -0.0000400500000000, -0.0000368300000000 ] - [ -0.0004012100000000, -0.0000518500000000, -0.0006701500000000 ] - [ -0.0003186700000000, 0.0000056800000000, -0.0000639300000000 ] - [ -0.0007252400000000, 0.0000683600000000, -0.0010019500000000 ] - [ -0.0000457600000000, -0.0000018000000000, -0.0001578400000000 ] - [ 0.0004339400000000, -0.0003086800000000, 0.0031727100000000 ] - [ -0.0288613800000000, 0.0004581700000000, -0.0028613600000000 ] - [ 0.0008587700000000, -0.0001186700000000, 0.0017317600000000 ] - [ 0.0025380200000000, -0.0004965000000000, -0.0009722200000000 ] - [ 0.0062820600000000, -0.0000390000000000, 0.0016085200000000 ] - [ -0.0079917100000000, -0.0025439500000000, 0.0050847900000000 ] - [ 0.0096514000000000, -0.0006724000000000, 0.0020822600000000 ] - [ -0.0041443100000000, 0.0006397000000000, 0.0011458400000000 ] - [ -0.0002698500000000, -0.0000043900000000, 0.0002633500000000 ] - [ -0.0000290400000000, 0.0001234400000000, 0.0003404400000000 ] - [ -0.0006358400000000, 0.0000277600000000, 0.0010221400000000 ] - [ -0.0057579500000000, -0.0005263800000000, 0.0008244800000000 ] - [ -0.0002217600000000, -0.0001022800000000, 0.0006266900000000 ] - [ 0.0000958100000000, 0.0002361500000000, -0.0005064700000000 ] - [ -0.0000221000000000, 0.0000015000000000, -0.0001248900000000 ] - [ 0.0001205100000000, 0.0000001800000000, 0.0003420300000000 ] - [ -0.0001152400000000, 0.0000012600000000, -0.0003167100000000 ] - [ 0.0000186700000000, 0.0000402700000000, -0.0000360900000000 ] - [ -0.0005422500000000, 0.0000033700000000, -0.0001613700000000 ] - [ 0.0001426300000000, -0.0000369900000000, -0.0000233100000000 ] - [ 0.0005551600000000, -0.0000055300000000, 0.0007999100000000 ] - [ 0.0001246000000000, 0.0000184400000000, 0.0002299200000000 ] - [ 0.0006562100000000, 0.0000046000000000, 0.0008927000000000 ] - [ -0.0001493300000000, -0.0000011300000000, 0.0003115300000000 ] - [ 0.0013729400000000, 0.0028150200000000, -0.0043984000000000 ] - [ 0.0055265400000000, 0.0024055100000000, -0.0050795700000000 ] - [ 0.0012529600000000, -0.0017756100000000, -0.0033117000000000 ] - [ -0.0016887700000000, 0.0006733200000000, 0.0027433500000000 ] - [ -0.0345019600000000, 0.0143216800000000, 0.0100372700000000 ] - [ 0.0098832100000000, -0.0021338000000000, -0.0033088400000000 ] - [ -0.0235337300000000, 0.0016557800000000, -0.0018393600000000 ] - [ 0.0026986200000000, 0.0003662200000000, -0.0000370800000000 ] - [ 0.0000522700000000, -0.0000140600000000, 0.0003228300000000 ] - [ -0.0002256800000000, 0.0001027600000000, 0.0006266500000000 ] - [ 0.0008026000000000, -0.0001501900000000, 0.0001456700000000 ] - [ 0.0023392100000000, -0.0003519800000000, -0.0002234300000000 ] - [ -0.0000142700000000, -0.0001226600000000, 0.0003573900000000 ] - [ 0.0006578200000000, -0.0000627500000000, 0.0011551900000000 ] - [ 0.0000935000000000, 0.0000020500000000, -0.0001117600000000 ] - [ -0.0040832800000000, -0.0018271600000000, -0.0023851200000000 ] - [ 0.0023008600000000, 0.0018545900000000, -0.0051465000000000 ] - [ -0.0000487800000000, 0.0000072200000000, 0.0003288400000000 ] - [ -0.0264649100000000, 0.0310822800000000, -0.0114452900000000 ] - [ 0.0028943600000000, 0.0000326100000000, 0.0009534900000000 ] - [ 0.0039590200000000, 0.0023342400000000, 0.0058823400000000 ] - [ 0.0003624200000000, 0.0000166300000000, 0.0006646500000000 ] - [ 0.0081272600000000, 0.0007003500000000, -0.0020139200000000 ] - [ -0.0000282200000000, 0.0000406400000000, 0.0001223900000000 ] - [ -0.0001773600000000, 0.0000018900000000, -0.0002454500000000 ] - [ 0.0000125800000000, -0.0000310800000000, 0.0000876300000000 ] - [ -0.0003324800000000, 0.0000004000000000, -0.0005026800000000 ] - [ 0.0001891400000000, -0.0000542700000000, -0.0002012500000000 ] - [ -0.0000973500000000, -0.0000011600000000, -0.0000143100000000 ] - [ -0.0002103500000000, -0.0000003400000000, -0.0000562100000000 ] - [ -0.0000455000000000, -0.0000006600000000, -0.0000795400000000 ] - [ 0.0002316800000000, 0.0002327100000000, 0.0001464900000000 ] - [ 0.0001675800000000, 0.0000574100000000, -0.0002190100000000 ] - [ -0.0000293200000000, 0.0000414600000000, 0.0001179500000000 ] - [ -0.0000475200000000, 0.0000000800000000, -0.0000849400000000 ] - [ -0.0064431500000000, -0.0017293100000000, 0.0129032200000000 ] - [ 0.0019160200000000, -0.0003910900000000, 0.0006028000000000 ] - [ 0.0003388400000000, -0.0000456400000000, 0.0004900300000000 ] - [ 0.0014968500000000, -0.0012727100000000, 0.0025853600000000 ] - [ -0.0003055300000000, -0.0003141300000000, -0.0016539400000000 ] - [ -0.0128670500000000, -0.0084501600000000, -0.0029928900000000 ] - [ 0.0026389600000000, -0.0024305600000000, -0.0046930700000000 ] - [ -0.0003311400000000, -0.0000869700000000, 0.0008676400000000 ] - [ -0.0008084400000000, 0.0010578700000000, 0.0105313800000000 ] - [ -0.0080036300000000, 0.0038453500000000, 0.0000684100000000 ] - [ -0.0031349800000000, 0.0003064600000000, 0.0006051000000000 ] - [ 0.1584974900000000, -0.0557275500000000, 0.0041348200000000 ] - [ -0.0008245700000000, 0.0000139900000000, -0.0003190600000000 ] - [ -0.0021816200000000, 0.0002644400000000, -0.0015906800000000 ] - [ 0.0132709400000000, -0.0021495600000000, 0.0006443700000000 ] - [ 0.0033596900000000, -0.0037835100000000, -0.0075736600000000 ] - [ 0.0002463200000000, 0.0001561100000000, 0.0002075800000000 ] - [ 0.0018779000000000, -0.0002732300000000, 0.0004926300000000 ] - [ 0.0022155400000000, 0.0011965300000000, -0.0033849700000000 ] - [ 0.0000072600000000, 0.0000017500000000, 0.0003253900000000 ] - [ -0.0000666600000000, 0.0001593400000000, -0.0007759800000000 ] - [ 0.0002281400000000, -0.0001542500000000, 0.0001878200000000 ] - [ 0.0001022600000000, -0.0000136900000000, 0.0002692000000000 ] - [ 0.0001140400000000, -0.0001900200000000, -0.0004701400000000 ] - [ 0.0001184500000000, -0.0000014800000000, 0.0003000200000000 ] - [ 0.0002584300000000, -0.0000151600000000, 0.0002536800000000 ] - [ -0.0001315700000000, 0.0001302800000000, 0.0004317300000000 ] - [ -0.0000192800000000, -0.0001181100000000, 0.0005203600000000 ] - [ 0.0000121000000000, 0.0000314400000000, 0.0000887700000000 ] - [ -0.0000244500000000, 0.0000010800000000, -0.0002807100000000 ] - [ -0.0000282000000000, -0.0000404400000000, 0.0001213200000000 ] - [ -0.0003491800000000, 0.0000002700000000, -0.0005276300000000 ] - [ -0.0004687200000000, -0.0001738900000000, -0.0004224500000000 ] - [ -0.0002878400000000, -0.0000021900000000, 0.0000266500000000 ] - [ -0.0002289300000000, -0.0000002100000000, -0.0000859700000000 ] - [ -0.0001282200000000, 0.0000171800000000, -0.0002527400000000 ] - [ -0.0011135500000000, -0.0000693500000000, -0.0007597500000000 ] - [ -0.0004295500000000, 0.0001630500000000, -0.0004658900000000 ] - [ -0.0001353900000000, -0.0000213600000000, -0.0005882400000000 ] - [ -0.0001221100000000, -0.0000181100000000, -0.0002582300000000 ] - [ -0.0022460800000000, 0.0003768900000000, -0.0039647900000000 ] - [ -0.0010946900000000, 0.0000734000000000, -0.0007997900000000 ] - [ 0.0002470800000000, 0.0000286600000000, -0.0003556300000000 ] - [ -0.0028210100000000, -0.0003822000000000, -0.0033560500000000 ] - [ -0.0009310600000000, 0.0003997600000000, 0.0020812100000000 ] - [ -0.0160085800000000, -0.0100513600000000, 0.0034144700000000 ] - [ -0.0040103900000000, -0.0005941500000000, 0.0015154600000000 ] - [ -0.0000225400000000, 0.0003008200000000, -0.0011946300000000 ] - [ -0.0018780300000000, -0.0001933200000000, -0.0014147400000000 ] - [ -0.0315081500000000, 0.0257048200000000, -0.0009695100000000 ] - [ 0.0049426900000000, 0.0041046200000000, -0.0093763500000000 ] - [ -0.0082109000000000, -0.0002119700000000, -0.0007992300000000 ] - [ 0.0021392100000000, 0.0006485800000000, 0.0007936700000000 ] - [ 0.0026109500000000, 0.0007049500000000, 0.0027543400000000 ] - [ -0.0060170800000000, 0.0001132300000000, -0.0006607000000000 ] - [ -0.0025726400000000, -0.0000393600000000, 0.0004714300000000 ] - [ -0.0001841500000000, 0.0001764500000000, 0.0002736300000000 ] - [ -0.0005968400000000, 0.0000164400000000, 0.0000555200000000 ] - [ -0.0020939600000000, 0.0001419500000000, 0.0011930600000000 ] - [ -0.0000867400000000, 0.0000033700000000, 0.0004119700000000 ] - [ -0.0007466300000000, 0.0001473400000000, 0.0014993000000000 ] - [ -0.0001581900000000, -0.0001571900000000, 0.0002154700000000 ] - [ 0.0000427900000000, 0.0000204800000000, 0.0007559500000000 ] - [ -0.0003136900000000, -0.0000967300000000, 0.0010044900000000 ] - [ 0.0000016100000000, -0.0000031100000000, 0.0003753900000000 ] - [ 0.0001272100000000, 0.0000124000000000, -0.0002213200000000 ] - [ -0.0000181800000000, 0.0001176500000000, 0.0005232300000000 ] - [ -0.0001251300000000, -0.0001314000000000, 0.0004287000000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001436700000000, 0.0000004300000000, 0.0003198600000000 ] - [ -0.0000664000000000, 0.0000006800000000, -0.0003671300000000 ] - [ 0.0000798900000000, 0.0000360500000000, -0.0000147300000000 ] - [ -0.0001113400000000, -0.0000101900000000, -0.0003417500000000 ] - [ 0.0000810600000000, -0.0000376400000000, -0.0000128300000000 ] - [ -0.0000009000000000, -0.0002491800000000, 0.0001165200000000 ] - [ -0.0001128700000000, 0.0000047800000000, 0.0000875000000000 ] - [ -0.0000789500000000, 0.0002546400000000, 0.0000345800000000 ] - [ -0.0000990800000000, -0.0000005700000000, 0.0001055800000000 ] - [ -0.0024759900000000, 0.0004058100000000, -0.0021245100000000 ] - [ -0.0037071000000000, 0.0200971500000000, -0.0031128100000000 ] - [ 0.0012828500000000, 0.0000328900000000, 0.0005736300000000 ] - [ 0.0002271900000000, -0.0001149500000000, -0.0002452800000000 ] - [ 0.0009935300000000, 0.0000684400000000, 0.0004949600000000 ] - [ 0.0042915000000000, -0.0102300800000000, 0.0033287500000000 ] - [ -0.0021988400000000, 0.0004222800000000, -0.0019109600000000 ] - [ -0.0001251700000000, -0.0028022800000000, -0.0006877600000000 ] - [ -0.0001164600000000, 0.0000054200000000, 0.0003277200000000 ] - [ -0.0001037800000000, 0.0001351200000000, 0.0004987100000000 ] - [ 0.0003216800000000, 0.0000227600000000, 0.0007007700000000 ] - [ 0.0007574900000000, 0.0028211900000000, 0.0010498500000000 ] - [ -0.0001116200000000, -0.0001319000000000, 0.0004985900000000 ] - [ 0.0000991300000000, -0.0001355900000000, 0.0004202800000000 ] - [ 0.0000289600000000, -0.0000010400000000, -0.0000999600000000 ] - [ 0.0001447200000000, 0.0000004300000000, 0.0003199800000000 ] - [ -0.0000621700000000, 0.0000011700000000, -0.0003687200000000 ] - [ 0.0000820300000000, 0.0000366500000000, -0.0000120400000000 ] - [ -0.0000851100000000, -0.0000057300000000, -0.0003289300000000 ] - [ 0.0000792200000000, -0.0000361100000000, -0.0000153700000000 ] - [ 0.0000479400000000, -0.0000448700000000, 0.0000185500000000 ] - [ -0.0001094300000000, 0.0000052600000000, 0.0000914500000000 ] - [ 0.0000165800000000, 0.0000688500000000, 0.0000038000000000 ] - [ -0.0000962800000000, -0.0000014500000000, 0.0000928100000000 ] - [ -0.0000525100000000, 0.0007853800000000, -0.0001245500000000 ] - [ -0.0005808500000000, -0.0030320400000000, -0.0002695300000000 ] - [ -0.0000136200000000, 0.0009856700000000, -0.0003443900000000 ] - [ 0.0003049700000000, 0.0003538100000000, 0.0033031000000000 ] - [ -0.0154591000000000, 0.0450229900000000, 0.0207828200000000 ] - [ 0.0008887600000000, 0.0029575300000000, -0.0000849800000000 ] - [ 0.0037132600000000, 0.0238385900000000, -0.0053150100000000 ] - [ 0.0000605300000000, 0.0002675900000000, 0.0000030600000000 ] - [ -0.0001084500000000, 0.0000082600000000, 0.0003214800000000 ] - [ -0.0001055500000000, 0.0001326800000000, 0.0005033100000000 ] - [ 0.0002186800000000, 0.0000826700000000, 0.0005503800000000 ] - [ 0.0001679100000000, -0.0002636900000000, 0.0000206400000000 ] - [ -0.0001129700000000, -0.0001338400000000, 0.0004897300000000 ] - [ 0.0001134700000000, -0.0000204100000000, 0.0001433500000000 ] - [ 0.0000318100000000, -0.0000017200000000, -0.0000988400000000 ] - [ 0.0015240300000000, -0.0009004200000000, -0.0021729400000000 ] - [ -0.0025134700000000, -0.0018415800000000, 0.0027559600000000 ] - [ 0.0001043400000000, -0.0000109500000000, 0.0004492200000000 ] - [ -0.0327199000000000, 0.0551673800000000, -0.0217567400000000 ] - [ 0.0001200400000000, -0.0000160600000000, 0.0000054900000000 ] - [ -0.0016279200000000, 0.0004265600000000, -0.0013128800000000 ] - [ 0.0001289200000000, -0.0000098700000000, 0.0005369300000000 ] - [ 0.0014340500000000, 0.0002380100000000, -0.0009887300000000 ] - [ -0.0000082800000000, 0.0000351900000000, 0.0000944700000000 ] - [ -0.0001028900000000, 0.0000005400000000, -0.0002711600000000 ] - [ -0.0000098600000000, -0.0000346600000000, 0.0000936800000000 ] - [ -0.0003402800000000, 0.0000001100000000, -0.0005252100000000 ] - [ -0.0001326500000000, -0.0000823000000000, -0.0003501700000000 ] - [ -0.0001944000000000, -0.0000005400000000, -0.0000097200000000 ] - [ -0.0002200200000000, 0.0000001100000000, -0.0000866100000000 ] - [ -0.0000846500000000, 0.0000131100000000, -0.0001821000000000 ] - [ -0.0006315300000000, 0.0000501000000000, -0.0001133100000000 ] - [ -0.0001336600000000, 0.0000810500000000, -0.0003609500000000 ] - [ -0.0001145200000000, 0.0000093200000000, -0.0001930100000000 ] - [ -0.0000844600000000, -0.0000132600000000, -0.0001843400000000 ] - [ -0.0016328500000000, -0.0035371500000000, 0.0018972400000000 ] - [ 0.0007118300000000, -0.0001267100000000, -0.0005524500000000 ] - [ 0.0003317600000000, -0.0000087100000000, 0.0000056500000000 ] - [ 0.0010516600000000, 0.0011055300000000, -0.0012613900000000 ] - [ -0.0002869800000000, 0.0009568300000000, 0.0000987700000000 ] - [ 0.0111922300000000, 0.0064808000000000, 0.0018572300000000 ] - [ 0.0047829100000000, 0.0060121700000000, 0.0092056200000000 ] - [ 0.0000543500000000, 0.0002691900000000, -0.0001348100000000 ] - [ 0.0016314500000000, -0.0034325900000000, -0.0024685200000000 ] - [ -0.0041188500000000, 0.0018057900000000, 0.0000852200000000 ] - [ 0.0000672700000000, 0.0000748900000000, 0.0002184900000000 ] - [ 0.0547478200000000, -0.2155320300000000, 0.0053839900000000 ] - [ 0.0001341300000000, 0.0000203600000000, 0.0000995900000000 ] - [ -0.0001934200000000, -0.0004785100000000, 0.0000476800000000 ] - [ -0.0021851500000000, 0.0564688500000000, -0.0004388900000000 ] - [ 0.0008422200000000, 0.0009704000000000, 0.0064677000000000 ] - [ 0.0000171400000000, 0.0001721900000000, 0.0001674400000000 ] - [ 0.0007803700000000, 0.0001099400000000, -0.0002019200000000 ] - [ -0.0011207100000000, 0.0017647300000000, -0.0040294600000000 ] - [ -0.0000458800000000, -0.0000011000000000, 0.0003543200000000 ] - [ -0.0000982200000000, 0.0010179200000000, 0.0002740400000000 ] - [ 0.0000199200000000, -0.0001782600000000, 0.0001868400000000 ] - [ 0.0000711000000000, -0.0000018400000000, 0.0005696600000000 ] - [ -0.0000319000000000, -0.0008299200000000, 0.0003889700000000 ] - [ 0.0000632100000000, 0.0000012200000000, 0.0003202700000000 ] - [ 0.0002248100000000, 0.0000092200000000, -0.0000061900000000 ] - [ -0.0000712200000000, 0.0001330100000000, 0.0004645400000000 ] - [ -0.0000695700000000, -0.0001303600000000, 0.0004695100000000 ] - [ -0.0000098600000000, 0.0000348300000000, 0.0000937100000000 ] - [ -0.0001045900000000, 0.0000005200000000, -0.0002758600000000 ] - [ -0.0000082400000000, -0.0000350400000000, 0.0000943500000000 ] - [ -0.0003400200000000, 0.0000001300000000, -0.0005239300000000 ] - [ -0.0001332700000000, -0.0001125100000000, -0.0003306800000000 ] - [ -0.0001855800000000, -0.0000004400000000, -0.0000093000000000 ] - [ -0.0002188800000000, 0.0000001500000000, -0.0000850100000000 ] - [ -0.0000860900000000, 0.0000127700000000, -0.0001774100000000 ] - [ -0.0004083800000000, 0.0000075800000000, -0.0003701300000000 ] - [ -0.0001245000000000, 0.0001105600000000, -0.0003412000000000 ] - [ -0.0000714000000000, 0.0000081500000000, -0.0002023300000000 ] - [ -0.0000852500000000, -0.0000125300000000, -0.0001798000000000 ] - [ 0.0005114600000000, 0.0020057200000000, 0.0002711400000000 ] - [ 0.0001477500000000, 0.0000084700000000, -0.0000015200000000 ] - [ 0.0002667900000000, 0.0000020400000000, 0.0000412400000000 ] - [ 0.0004653500000000, -0.0016786300000000, 0.0002117300000000 ] - [ -0.0000975000000000, -0.0001685800000000, 0.0001564800000000 ] - [ 0.0073613700000000, 0.0014860100000000, -0.0011726900000000 ] - [ 0.0000149700000000, -0.0002901500000000, -0.0011713500000000 ] - [ -0.0002766300000000, -0.0006593400000000, -0.0000265000000000 ] - [ -0.0001010800000000, 0.0005164500000000, 0.0000951600000000 ] - [ -0.0209965800000000, 0.0063858300000000, 0.0003047400000000 ] - [ -0.0040996100000000, 0.0035366500000000, -0.0151962600000000 ] - [ 0.0000952600000000, 0.0016827800000000, -0.0005673800000000 ] - [ -0.0005841400000000, -0.0003571300000000, 0.0004757200000000 ] - [ -0.0007484100000000, 0.0011011100000000, 0.0017108100000000 ] - [ -0.0000042100000000, -0.0012700900000000, -0.0005340600000000 ] - [ 0.0000424500000000, 0.0000787100000000, -0.0004746300000000 ] - [ 0.0000241400000000, 0.0001532500000000, 0.0001718000000000 ] - [ 0.0003420100000000, -0.0000154400000000, 0.0001841500000000 ] - [ -0.0000734500000000, -0.0001805000000000, 0.0003550900000000 ] - [ -0.0000475500000000, -0.0000015300000000, 0.0003573600000000 ] - [ 0.0001434600000000, 0.0001131700000000, 0.0003007700000000 ] - [ 0.0000080800000000, -0.0001636000000000, 0.0002027200000000 ] - [ 0.0000458200000000, -0.0000115000000000, 0.0005674400000000 ] - [ -0.0001112100000000, -0.0001258900000000, 0.0005859000000000 ] - [ 0.0000640500000000, 0.0000017600000000, 0.0003212900000000 ] - [ 0.0001818100000000, 0.0000067300000000, -0.0000150700000000 ] - [ -0.0000694100000000, 0.0001311900000000, 0.0004669700000000 ] - [ -0.0000735100000000, -0.0001312600000000, 0.0004678700000000 ]- atom: 80 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001453700000000, 0.0000000400000000, 0.0002693100000000 ] - [ -0.0000577300000000, -0.0000002400000000, -0.0004117700000000 ] - [ 0.0000799500000000, 0.0000434500000000, -0.0000591800000000 ] - [ -0.0001169000000000, 0.0000102300000000, -0.0003726100000000 ] - [ 0.0000786900000000, -0.0000409000000000, -0.0000611200000000 ] - [ -0.0000355300000000, 0.0002599200000000, -0.0001048100000000 ] - [ -0.0000857500000000, -0.0000042400000000, 0.0000753000000000 ] - [ 0.0000392300000000, -0.0002644000000000, -0.0000259400000000 ] - [ -0.0000980100000000, 0.0000009500000000, 0.0000139200000000 ] - [ 0.0024775500000000, -0.0004022700000000, 0.0020795100000000 ] - [ 0.0039626100000000, -0.0202846500000000, 0.0024167000000000 ] - [ -0.0012022700000000, -0.0000315700000000, -0.0010017000000000 ] - [ 0.0003803400000000, 0.0001106700000000, 0.0000223400000000 ] - [ -0.0009486900000000, -0.0000661400000000, -0.0011543300000000 ] - [ -0.0040072900000000, 0.0104616600000000, -0.0040046300000000 ] - [ 0.0029078200000000, -0.0004192100000000, 0.0015977900000000 ] - [ 0.0002447900000000, 0.0029001000000000, 0.0006749900000000 ] - [ -0.0001250000000000, -0.0000048600000000, 0.0002584400000000 ] - [ -0.0001136500000000, 0.0001001000000000, 0.0004489500000000 ] - [ 0.0000943900000000, -0.0000214300000000, 0.0003856100000000 ] - [ -0.0006129000000000, -0.0029193500000000, -0.0010437500000000 ] - [ -0.0001057700000000, -0.0001026200000000, 0.0004478200000000 ] - [ 0.0002966100000000, 0.0001324000000000, 0.0003396500000000 ] - [ 0.0000355800000000, 0.0000015000000000, -0.0001525700000000 ] - [ 0.0001444300000000, -0.0000000200000000, 0.0002687500000000 ] - [ -0.0000618800000000, -0.0000006900000000, -0.0004101700000000 ] - [ 0.0000778000000000, 0.0000428000000000, -0.0000619500000000 ] - [ -0.0001435600000000, 0.0000062400000000, -0.0003852700000000 ] - [ 0.0000805700000000, -0.0000425000000000, -0.0000584700000000 ] - [ -0.0000856100000000, 0.0000544500000000, -0.0000068700000000 ] - [ -0.0000891000000000, -0.0000046000000000, 0.0000714300000000 ] - [ -0.0000564500000000, -0.0000776000000000, 0.0000066900000000 ] - [ -0.0001008000000000, 0.0000017900000000, 0.0000268200000000 ] - [ 0.0000521300000000, -0.0007591400000000, 0.0000740400000000 ] - [ 0.0007608700000000, 0.0028935200000000, -0.0004591600000000 ] - [ 0.0001038100000000, -0.0009602300000000, -0.0000677100000000 ] - [ 0.0002978300000000, -0.0003584700000000, -0.0035560500000000 ] - [ 0.0144544500000000, -0.0435067300000000, -0.0196584800000000 ] - [ -0.0006797700000000, -0.0028193700000000, -0.0006233300000000 ] - [ -0.0021951200000000, -0.0228954700000000, 0.0040482400000000 ] - [ 0.0000489400000000, -0.0001844800000000, 0.0000015100000000 ] - [ -0.0001345600000000, -0.0000075700000000, 0.0002647300000000 ] - [ -0.0001115800000000, 0.0001027300000000, 0.0004431700000000 ] - [ 0.0001935300000000, -0.0000800900000000, 0.0005406200000000 ] - [ -0.0000551200000000, 0.0001814800000000, -0.0000150700000000 ] - [ -0.0001047600000000, -0.0001005300000000, 0.0004577400000000 ] - [ 0.0002781000000000, 0.0000201700000000, 0.0006121800000000 ] - [ 0.0000322300000000, 0.0000021000000000, -0.0001534900000000 ] - [ -0.0017006900000000, 0.0008803300000000, 0.0017733600000000 ] - [ 0.0026154000000000, 0.0018207600000000, -0.0027474000000000 ] - [ 0.0001604000000000, 0.0000048100000000, 0.0005738100000000 ] - [ 0.0346402400000000, -0.0578484600000000, 0.0225026400000000 ] - [ -0.0002914500000000, 0.0000103400000000, -0.0004315600000000 ] - [ 0.0016750100000000, -0.0004300700000000, 0.0013420500000000 ] - [ 0.0001338900000000, 0.0000037000000000, 0.0004853200000000 ] - [ -0.0014817700000000, -0.0002331900000000, 0.0004762700000000 ] - [ -0.0000069800000000, 0.0000394400000000, 0.0001234600000000 ] - [ -0.0001008300000000, -0.0000000400000000, -0.0002482000000000 ] - [ -0.0000055200000000, -0.0000391600000000, 0.0001242300000000 ] - [ -0.0003451100000000, 0.0000002400000000, -0.0004958800000000 ] - [ -0.0001279300000000, -0.0001444900000000, -0.0003177200000000 ] - [ -0.0001944800000000, 0.0000009600000000, 0.0000320200000000 ] - [ -0.0002194400000000, 0.0000003400000000, -0.0000416200000000 ] - [ -0.0000847300000000, 0.0000032400000000, -0.0001453700000000 ] - [ -0.0002690600000000, -0.0000479400000000, -0.0006314000000000 ] - [ -0.0001268300000000, 0.0001465800000000, -0.0003072100000000 ] - [ -0.0000499700000000, -0.0000084500000000, -0.0002628600000000 ] - [ -0.0000848600000000, -0.0000022000000000, -0.0001432600000000 ] - [ 0.0015173400000000, 0.0036275900000000, -0.0019565200000000 ] - [ -0.0003192300000000, 0.0001245700000000, 0.0003911600000000 ] - [ 0.0002450000000000, 0.0000087300000000, 0.0002135800000000 ] - [ -0.0010900900000000, -0.0012035800000000, 0.0011231000000000 ] - [ 0.0001848400000000, -0.0012588700000000, -0.0000531800000000 ] - [ -0.0114348600000000, -0.0064889200000000, -0.0017598200000000 ] - [ -0.0052024100000000, -0.0060129700000000, -0.0100079200000000 ] - [ -0.0001589300000000, 0.0000292800000000, 0.0001750800000000 ] - [ -0.0016447900000000, 0.0033616500000000, 0.0026997000000000 ] - [ 0.0044232200000000, -0.0017936000000000, -0.0005765200000000 ] - [ 0.0002749800000000, -0.0000713600000000, -0.0006673700000000 ] - [ -0.0564824500000000, 0.2149560000000000, -0.0084806900000000 ] - [ 0.0000867500000000, -0.0000196900000000, 0.0002131300000000 ] - [ 0.0001576900000000, 0.0005678000000000, 0.0002570600000000 ] - [ 0.0019563900000000, -0.0555175000000000, -0.0005921100000000 ] - [ -0.0012341300000000, -0.0009906400000000, -0.0068289600000000 ] - [ 0.0000229300000000, 0.0001538200000000, 0.0002377900000000 ] - [ 0.0000262500000000, -0.0001063100000000, 0.0004966300000000 ] - [ 0.0012646900000000, -0.0017584200000000, 0.0038032000000000 ] - [ -0.0000427300000000, 0.0000015800000000, 0.0003924000000000 ] - [ 0.0000880000000000, -0.0006486400000000, 0.0006432900000000 ] - [ 0.0000201800000000, -0.0001472500000000, 0.0002188200000000 ] - [ 0.0000620100000000, 0.0000021300000000, 0.0005404100000000 ] - [ 0.0000223100000000, 0.0004613600000000, 0.0005301100000000 ] - [ 0.0000507500000000, -0.0000007300000000, 0.0003578500000000 ] - [ 0.0001781600000000, -0.0000085800000000, 0.0000872100000000 ] - [ -0.0000673000000000, 0.0001159300000000, 0.0005013800000000 ] - [ -0.0000694600000000, -0.0001176700000000, 0.0004961600000000 ] - [ -0.0000053600000000, 0.0000398200000000, 0.0001242700000000 ] - [ -0.0000992200000000, -0.0000000100000000, -0.0002435300000000 ] - [ -0.0000071100000000, -0.0000387900000000, 0.0001233400000000 ] - [ -0.0003454500000000, 0.0000002100000000, -0.0004971400000000 ] - [ -0.0001275900000000, -0.0001140500000000, -0.0003373100000000 ] - [ -0.0002034400000000, 0.0000008900000000, 0.0000315400000000 ] - [ -0.0002205300000000, 0.0000004100000000, -0.0000430700000000 ] - [ -0.0000832900000000, 0.0000035100000000, -0.0001501500000000 ] - [ -0.0004930800000000, -0.0000070100000000, -0.0003739700000000 ] - [ -0.0001358700000000, 0.0001168000000000, -0.0003272500000000 ] - [ -0.0000930300000000, -0.0000074900000000, -0.0002538100000000 ] - [ -0.0000840900000000, -0.0000028500000000, -0.0001478500000000 ] - [ -0.0005569800000000, -0.0019330100000000, -0.0003867500000000 ] - [ 0.0002472700000000, -0.0000079800000000, -0.0001632300000000 ] - [ 0.0003103100000000, -0.0000019000000000, 0.0001775800000000 ] - [ -0.0005081800000000, 0.0016049900000000, -0.0003274300000000 ] - [ -0.0000124400000000, -0.0001264800000000, -0.0001050200000000 ] - [ -0.0074213000000000, -0.0015051100000000, 0.0012819200000000 ] - [ -0.0003809500000000, 0.0002839000000000, 0.0004780900000000 ] - [ 0.0001721500000000, 0.0009614100000000, 0.0000684000000000 ] - [ 0.0000662900000000, -0.0006052600000000, 0.0002093100000000 ] - [ 0.0211573000000000, -0.0064941000000000, -0.0007753900000000 ] - [ 0.0044288100000000, -0.0036125100000000, 0.0147144300000000 ] - [ -0.0002706700000000, -0.0017501700000000, -0.0004529000000000 ] - [ 0.0007973300000000, 0.0003512900000000, -0.0001650000000000 ] - [ 0.0006900400000000, -0.0010308400000000, -0.0013952000000000 ] - [ -0.0001687000000000, 0.0013374600000000, -0.0004859800000000 ] - [ -0.0004275900000000, -0.0000767700000000, 0.0000794100000000 ] - [ 0.0000174100000000, 0.0001727000000000, 0.0002324600000000 ] - [ 0.0004750300000000, 0.0000156500000000, 0.0001090200000000 ] - [ 0.0002063700000000, 0.0001780100000000, -0.0006277300000000 ] - [ -0.0000408300000000, 0.0000019500000000, 0.0003887700000000 ] - [ -0.0001499600000000, 0.0002595600000000, 0.0006056000000000 ] - [ 0.0000331300000000, -0.0001619800000000, 0.0002022700000000 ] - [ 0.0000872200000000, 0.0000116900000000, 0.0005408700000000 ] - [ 0.0000985400000000, -0.0002467900000000, 0.0003271700000000 ] - [ 0.0000502300000000, -0.0000012000000000, 0.0003565000000000 ] - [ 0.0002222300000000, -0.0000062100000000, 0.0000977400000000 ] - [ -0.0000692200000000, 0.0001175700000000, 0.0004984800000000 ] - [ -0.0000650300000000, -0.0001167000000000, 0.0004980800000000 ]- atom: 80 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001596500000000, -0.0000001200000000, -0.0022379100000000 ] - [ -0.0000133400000000, 0.0000026400000000, -0.0025890600000000 ] - [ 0.0000511500000000, 0.0000517900000000, -0.0022506000000000 ] - [ -0.0000505000000000, -0.0000397900000000, -0.0023708400000000 ] - [ 0.0000663800000000, -0.0000491000000000, -0.0023000800000000 ] - [ 0.0007892600000000, 0.0001573400000000, -0.0024015900000000 ] - [ -0.0000484200000000, 0.0000213200000000, -0.0024704200000000 ] - [ 0.0004371100000000, -0.0001546100000000, -0.0027216800000000 ] - [ 0.0000620200000000, -0.0000058500000000, -0.0022736300000000 ] - [ -0.0053382200000000, 0.0008839100000000, -0.0021620900000000 ] - [ 0.0044239500000000, -0.0002243200000000, 0.0289020400000000 ] - [ -0.0046111500000000, -0.0001616300000000, -0.0009428200000000 ] - [ 0.0006761400000000, -0.0004877100000000, 0.0004328800000000 ] - [ -0.0015781900000000, 0.0001779600000000, 0.0055672700000000 ] - [ -0.0031524500000000, 0.0013847800000000, 0.0123846900000000 ] - [ -0.0018019500000000, 0.0000266500000000, 0.0051378000000000 ] - [ 0.0035909400000000, -0.0019735500000000, -0.0035093400000000 ] - [ 0.0001166200000000, -0.0000215500000000, -0.0021306400000000 ] - [ 0.0000352800000000, 0.0001094400000000, -0.0016917100000000 ] - [ 0.0001792200000000, -0.0001980500000000, -0.0028584800000000 ] - [ -0.0000338500000000, 0.0017686500000000, -0.0082941700000000 ] - [ -0.0002354300000000, -0.0001582700000000, -0.0019255100000000 ] - [ 0.0015181200000000, 0.0004708300000000, -0.0019514000000000 ] - [ 0.0000988100000000, 0.0000047600000000, -0.0028054400000000 ] - [ 0.0001425800000000, -0.0000005000000000, -0.0023520600000000 ] - [ -0.0000557800000000, 0.0000028000000000, -0.0026444700000000 ] - [ 0.0000694400000000, 0.0000491100000000, -0.0022982500000000 ] - [ -0.0000459300000000, -0.0000356700000000, -0.0028127500000000 ] - [ 0.0000478800000000, -0.0000516000000000, -0.0022514500000000 ] - [ -0.0011949800000000, -0.0000941000000000, -0.0024810300000000 ] - [ -0.0003809800000000, 0.0000213300000000, -0.0022950900000000 ] - [ -0.0016004400000000, 0.0000851200000000, -0.0027211300000000 ] - [ -0.0000651600000000, -0.0000087600000000, -0.0024119300000000 ] - [ 0.0027167100000000, 0.0027457000000000, -0.0014110400000000 ] - [ 0.0004162400000000, -0.0000450200000000, 0.0062153600000000 ] - [ 0.0041856000000000, -0.0033484000000000, -0.0019205100000000 ] - [ 0.0007715500000000, -0.0014062200000000, -0.0083136500000000 ] - [ -0.0036384900000000, 0.0139455100000000, 0.0402573700000000 ] - [ 0.0029758200000000, -0.0001491600000000, 0.0082163500000000 ] - [ 0.0038059500000000, -0.0009090400000000, 0.0293599300000000 ] - [ 0.0001703200000000, 0.0001947100000000, 0.0007509900000000 ] - [ -0.0003593600000000, -0.0000280200000000, -0.0018179500000000 ] - [ -0.0002641400000000, 0.0001594000000000, -0.0019521400000000 ] - [ 0.0005718100000000, -0.0002906600000000, -0.0014167700000000 ] - [ -0.0001896400000000, -0.0002049300000000, 0.0006858400000000 ] - [ 0.0000659000000000, -0.0001076200000000, -0.0016606900000000 ] - [ -0.0016000700000000, 0.0002247900000000, -0.0021164100000000 ] - [ -0.0000312700000000, 0.0000066300000000, -0.0027278900000000 ] - [ 0.0029188500000000, -0.0018842100000000, -0.0026066000000000 ] - [ 0.0048768800000000, 0.0029056200000000, 0.0044803300000000 ] - [ 0.0003571500000000, 0.0000186000000000, -0.0017682000000000 ] - [ 0.0143333400000000, -0.0237627000000000, 0.0199623700000000 ] - [ -0.0016851800000000, 0.0000047000000000, 0.0002151800000000 ] - [ -0.0066468100000000, -0.0021271900000000, 0.0025548200000000 ] - [ -0.0001268600000000, 0.0000118900000000, -0.0007967500000000 ] - [ -0.0005725300000000, -0.0003515200000000, 0.0040254900000000 ] - [ 0.0001272100000000, 0.0003189800000000, 0.0015171100000000 ] - [ -0.0000907000000000, 0.0000019800000000, 0.0015083600000000 ] - [ 0.0001674700000000, -0.0003300300000000, 0.0015656700000000 ] - [ -0.0006608700000000, 0.0000011500000000, 0.0009221200000000 ] - [ -0.0000326600000000, -0.0002742700000000, 0.0012566700000000 ] - [ -0.0002828100000000, -0.0000022100000000, 0.0016119800000000 ] - [ -0.0002100200000000, -0.0000012000000000, 0.0018686100000000 ] - [ -0.0001094300000000, -0.0000769800000000, 0.0014380200000000 ] - [ -0.0012658500000000, 0.0001545400000000, 0.0014817300000000 ] - [ -0.0000183000000000, 0.0002694900000000, 0.0012101900000000 ] - [ -0.0003980200000000, 0.0000389700000000, 0.0012845600000000 ] - [ -0.0001078100000000, 0.0000751300000000, 0.0014255600000000 ] - [ -0.0124954700000000, -0.0018212500000000, 0.0063294800000000 ] - [ -0.0013044500000000, -0.0001867300000000, 0.0021975300000000 ] - [ -0.0001053900000000, -0.0000433100000000, 0.0018114200000000 ] - [ -0.0028234000000000, -0.0010460000000000, -0.0029943000000000 ] - [ 0.0023300700000000, -0.0005194200000000, 0.0035920100000000 ] - [ 0.0010942300000000, 0.0009440200000000, -0.0075601300000000 ] - [ 0.0072807900000000, 0.0085271600000000, 0.0076138100000000 ] - [ -0.0005672800000000, 0.0000239000000000, 0.0001219000000000 ] - [ -0.0105185900000000, 0.0019180800000000, 0.0104437800000000 ] - [ 0.0018786600000000, -0.0007536100000000, -0.0064404800000000 ] - [ -0.0000122800000000, 0.0003869700000000, -0.0032115500000000 ] - [ -0.0255793700000000, 0.0140275100000000, -0.1427196100000000 ] - [ 0.0006523700000000, -0.0000528700000000, 0.0001566200000000 ] - [ 0.0020891800000000, -0.0001420900000000, -0.0014325700000000 ] - [ -0.0031269500000000, 0.0001485000000000, -0.0155160700000000 ] - [ 0.0024947100000000, 0.0098691200000000, 0.0127875900000000 ] - [ 0.0000210200000000, 0.0002030500000000, 0.0021313900000000 ] - [ -0.0003071800000000, -0.0003471100000000, 0.0024238900000000 ] - [ 0.0027452700000000, -0.0034991000000000, 0.0048667000000000 ] - [ -0.0000168100000000, 0.0000046900000000, 0.0024807900000000 ] - [ 0.0016825600000000, 0.0003311900000000, 0.0035899500000000 ] - [ 0.0000298000000000, -0.0001808000000000, 0.0020482200000000 ] - [ 0.0003024500000000, 0.0000446800000000, 0.0023369300000000 ] - [ 0.0012335600000000, -0.0002368800000000, 0.0027070700000000 ] - [ -0.0002725300000000, -0.0000046400000000, 0.0018191100000000 ] - [ -0.0000586700000000, -0.0000307900000000, 0.0017999200000000 ] - [ 0.0001977400000000, -0.0001747900000000, 0.0019185100000000 ] - [ 0.0000137000000000, 0.0001828900000000, 0.0018970700000000 ] - [ 0.0001663600000000, 0.0003307900000000, 0.0015680000000000 ] - [ -0.0000651700000000, 0.0000020500000000, 0.0016088000000000 ] - [ 0.0001280600000000, -0.0003183200000000, 0.0015149400000000 ] - [ -0.0006656900000000, 0.0000012700000000, 0.0009356100000000 ] - [ 0.0001277200000000, -0.0002038800000000, 0.0009596600000000 ] - [ -0.0002892400000000, -0.0000021400000000, 0.0015218200000000 ] - [ -0.0002150200000000, -0.0000012100000000, 0.0018833300000000 ] - [ -0.0000163700000000, -0.0000793700000000, 0.0014561500000000 ] - [ 0.0002244900000000, 0.0000535600000000, 0.0005318500000000 ] - [ 0.0001641700000000, 0.0001942900000000, 0.0009207400000000 ] - [ 0.0001427800000000, 0.0000501500000000, 0.0014583400000000 ] - [ -0.0000155100000000, 0.0000766300000000, 0.0014400100000000 ] - [ 0.0032900500000000, -0.0000907300000000, -0.0028378700000000 ] - [ 0.0011432300000000, -0.0000077900000000, 0.0004235800000000 ] - [ 0.0003434000000000, -0.0000679000000000, 0.0020364400000000 ] - [ 0.0033434300000000, 0.0002574100000000, -0.0019531100000000 ] - [ -0.0011344200000000, 0.0002718300000000, 0.0012761500000000 ] - [ 0.0029431800000000, 0.0018670700000000, -0.0082055500000000 ] - [ -0.0012483800000000, -0.0008950100000000, -0.0032689700000000 ] - [ 0.0015215900000000, 0.0004685700000000, 0.0022860100000000 ] - [ 0.0018373600000000, 0.0000955400000000, -0.0017591300000000 ] - [ 0.0048395400000000, -0.0028440700000000, -0.0125245200000000 ] - [ 0.0089588100000000, -0.0164690000000000, 0.0208886000000000 ] - [ 0.0013618300000000, -0.0000630600000000, -0.0039694000000000 ] - [ -0.0010626800000000, 0.0007429800000000, 0.0030178600000000 ] - [ -0.0028618900000000, 0.0012922800000000, -0.0019089300000000 ] - [ 0.0009108700000000, 0.0000435400000000, -0.0040660900000000 ] - [ -0.0005264900000000, -0.0002910400000000, -0.0023778600000000 ] - [ -0.0000569900000000, 0.0001694200000000, 0.0015592600000000 ] - [ 0.0008312300000000, 0.0000459500000000, 0.0004997400000000 ] - [ -0.0010626300000000, 0.0005104100000000, -0.0017745800000000 ] - [ -0.0000759700000000, 0.0000056600000000, 0.0022636000000000 ] - [ -0.0016774900000000, 0.0002283200000000, 0.0018742400000000 ] - [ -0.0000012900000000, -0.0001338000000000, 0.0014553800000000 ] - [ -0.0001795900000000, 0.0000418600000000, 0.0020808300000000 ] - [ -0.0008177000000000, -0.0001334600000000, 0.0009318600000000 ] - [ -0.0003074900000000, -0.0000053300000000, 0.0016849800000000 ] - [ 0.0005020200000000, -0.0000329200000000, 0.0019826200000000 ] - [ 0.0000112900000000, -0.0001855100000000, 0.0019080200000000 ] - [ 0.0002030400000000, 0.0001709600000000, 0.0019035100000000 ]- atom: 80 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001292100000000, 0.0000003500000000, 0.0028261400000000 ] - [ -0.0001111800000000, -0.0000024800000000, 0.0018070200000000 ] - [ 0.0001089600000000, 0.0000272200000000, 0.0021733100000000 ] - [ -0.0001773500000000, 0.0000399800000000, 0.0016527600000000 ] - [ 0.0000931700000000, -0.0000295100000000, 0.0022231500000000 ] - [ -0.0008323300000000, -0.0001498400000000, 0.0024087500000000 ] - [ -0.0001512700000000, -0.0000212200000000, 0.0026301200000000 ] - [ -0.0004797700000000, 0.0001475300000000, 0.0027291200000000 ] - [ -0.0002592000000000, 0.0000060500000000, 0.0023903000000000 ] - [ 0.0053568400000000, -0.0008898200000000, 0.0021020600000000 ] - [ -0.0058270000000000, -0.0000860800000000, -0.0307463000000000 ] - [ 0.0046680600000000, 0.0001603500000000, 0.0005313600000000 ] - [ -0.0000699400000000, 0.0004885200000000, -0.0006727800000000 ] - [ 0.0016350300000000, -0.0001723700000000, -0.0061676900000000 ] - [ 0.0033568400000000, -0.0012416700000000, -0.0132588200000000 ] - [ 0.0024892700000000, -0.0000187100000000, -0.0055058400000000 ] - [ -0.0034406300000000, 0.0020475700000000, 0.0035089200000000 ] - [ -0.0003579200000000, 0.0000215700000000, 0.0027126900000000 ] - [ -0.0002512600000000, 0.0001247300000000, 0.0026363400000000 ] - [ 0.0002360100000000, 0.0001964300000000, 0.0039392100000000 ] - [ 0.0001593800000000, -0.0018424000000000, 0.0082413600000000 ] - [ 0.0000176600000000, -0.0000759300000000, 0.0028683400000000 ] - [ -0.0011150500000000, -0.0004668200000000, 0.0027065600000000 ] - [ -0.0000339200000000, -0.0000045200000000, 0.0025469500000000 ] - [ 0.0001464400000000, 0.0000006600000000, 0.0029393500000000 ] - [ -0.0000684800000000, -0.0000026100000000, 0.0018625100000000 ] - [ 0.0000901500000000, 0.0000298700000000, 0.0022211900000000 ] - [ -0.0001826300000000, 0.0000360500000000, 0.0020973900000000 ] - [ 0.0001122500000000, -0.0000270400000000, 0.0021742600000000 ] - [ 0.0011621200000000, 0.0001032300000000, 0.0024893400000000 ] - [ 0.0001834300000000, -0.0000211500000000, 0.0024541400000000 ] - [ 0.0015691000000000, -0.0000938100000000, 0.0027304200000000 ] - [ -0.0001313600000000, 0.0000089300000000, 0.0025294900000000 ] - [ -0.0027276300000000, -0.0027489200000000, 0.0013448500000000 ] - [ -0.0002107900000000, -0.0000890500000000, -0.0069943100000000 ] - [ -0.0040712200000000, 0.0033267100000000, 0.0015091800000000 ] - [ -0.0001710500000000, 0.0014191800000000, 0.0081126700000000 ] - [ 0.0029142100000000, -0.0127017300000000, -0.0400012400000000 ] - [ -0.0027623800000000, 0.0002862300000000, -0.0089953300000000 ] - [ -0.0025945100000000, 0.0016013500000000, -0.0302660700000000 ] - [ -0.0000522300000000, -0.0001083300000000, -0.0007281100000000 ] - [ 0.0001142200000000, 0.0000280400000000, 0.0024020600000000 ] - [ 0.0000462700000000, 0.0000751900000000, 0.0028946300000000 ] - [ -0.0001556600000000, 0.0002886500000000, 0.0025086800000000 ] - [ 0.0003050900000000, 0.0001188300000000, -0.0006629600000000 ] - [ -0.0002817200000000, -0.0001261700000000, 0.0026056200000000 ] - [ 0.0019800500000000, -0.0002222900000000, 0.0028681600000000 ] - [ 0.0000950100000000, -0.0000064200000000, 0.0024702000000000 ] - [ -0.0031053100000000, 0.0018825000000000, 0.0021779700000000 ] - [ -0.0047931400000000, -0.0028912900000000, -0.0043919100000000 ] - [ -0.0000915200000000, -0.0000248000000000, 0.0027854300000000 ] - [ -0.0142121900000000, 0.0234732700000000, -0.0206364700000000 ] - [ 0.0015248200000000, -0.0000112700000000, -0.0006533900000000 ] - [ 0.0066564100000000, 0.0020980200000000, -0.0024741000000000 ] - [ 0.0003884300000000, -0.0000181200000000, 0.0018204300000000 ] - [ 0.0005282400000000, 0.0003507100000000, -0.0045128100000000 ] - [ -0.0001425900000000, -0.0002447200000000, -0.0012960900000000 ] - [ -0.0001130900000000, -0.0000017700000000, -0.0020237400000000 ] - [ -0.0001828600000000, 0.0002560800000000, -0.0013446100000000 ] - [ -0.0000242100000000, -0.0000010700000000, -0.0019403100000000 ] - [ -0.0002284400000000, 0.0000472600000000, -0.0019233200000000 ] - [ -0.0001071600000000, 0.0000024000000000, -0.0015872500000000 ] - [ -0.0002293200000000, 0.0000013900000000, -0.0019930600000000 ] - [ -0.0000592000000000, 0.0000922900000000, -0.0017626900000000 ] - [ 0.0003651800000000, -0.0001541500000000, -0.0022227700000000 ] - [ -0.0002428300000000, -0.0000421100000000, -0.0018766900000000 ] - [ 0.0002358300000000, -0.0000387800000000, -0.0017381100000000 ] - [ -0.0000607800000000, -0.0000900800000000, -0.0017502000000000 ] - [ 0.0125771200000000, 0.0019113400000000, -0.0065011000000000 ] - [ 0.0017095400000000, 0.0001856300000000, -0.0023625000000000 ] - [ 0.0006841700000000, 0.0000435300000000, -0.0015906500000000 ] - [ 0.0027814400000000, 0.0009638800000000, 0.0029047800000000 ] - [ -0.0024498400000000, 0.0002277200000000, -0.0035643400000000 ] - [ -0.0011080800000000, -0.0009093400000000, 0.0077067400000000 ] - [ -0.0077312600000000, -0.0086699400000000, -0.0084118400000000 ] - [ 0.0004643900000000, 0.0002741400000000, -0.0000703200000000 ] - [ 0.0103327500000000, -0.0019884600000000, -0.0100035900000000 ] - [ -0.0016469700000000, 0.0007627900000000, 0.0059401600000000 ] - [ 0.0003540600000000, -0.0003892600000000, 0.0027870800000000 ] - [ 0.0272025900000000, -0.0155765700000000, 0.1428419800000000 ] - [ -0.0004297500000000, 0.0000525100000000, 0.0001458300000000 ] - [ -0.0021160600000000, 0.0002282700000000, 0.0017152800000000 ] - [ 0.0029607200000000, -0.0002917800000000, 0.0144898900000000 ] - [ -0.0028269000000000, -0.0097080200000000, -0.0129722500000000 ] - [ 0.0000187500000000, 0.0001222600000000, -0.0017222600000000 ] - [ 0.0011156000000000, 0.0003450200000000, -0.0021257900000000 ] - [ -0.0025860800000000, 0.0034449500000000, -0.0050832400000000 ] - [ -0.0000715500000000, -0.0000043800000000, -0.0017302100000000 ] - [ -0.0016800600000000, 0.0000447200000000, -0.0026591400000000 ] - [ 0.0000102200000000, -0.0001442900000000, -0.0016398900000000 ] - [ -0.0001670300000000, -0.0000440200000000, -0.0012240900000000 ] - [ -0.0012373200000000, -0.0001374900000000, -0.0017880200000000 ] - [ 0.0003854100000000, 0.0000047900000000, -0.0011387500000000 ] - [ 0.0004603300000000, 0.0000306700000000, -0.0017159800000000 ] - [ -0.0003352500000000, 0.0004223400000000, -0.0009504800000000 ] - [ -0.0001525900000000, -0.0004299600000000, -0.0009293900000000 ] - [ -0.0001815700000000, -0.0002565200000000, -0.0013468900000000 ] - [ -0.0001386200000000, -0.0000018100000000, -0.0021246700000000 ] - [ -0.0001435000000000, 0.0002443000000000, -0.0012941900000000 ] - [ -0.0000197700000000, -0.0000012200000000, -0.0019536000000000 ] - [ -0.0003902500000000, -0.0000235700000000, -0.0016249300000000 ] - [ -0.0001009900000000, 0.0000023500000000, -0.0014966500000000 ] - [ -0.0002245100000000, 0.0000015200000000, -0.0020073300000000 ] - [ -0.0001528800000000, 0.0000946700000000, -0.0017809300000000 ] - [ -0.0011332400000000, -0.0000538200000000, -0.0012695700000000 ] - [ -0.0004266000000000, 0.0000335800000000, -0.0015860900000000 ] - [ -0.0003075800000000, -0.0000502900000000, -0.0019135900000000 ] - [ -0.0001536700000000, -0.0000915100000000, -0.0017647600000000 ] - [ -0.0033557600000000, 0.0001746100000000, 0.0027576500000000 ] - [ -0.0007539200000000, 0.0000080300000000, -0.0005798500000000 ] - [ 0.0002329200000000, 0.0000685400000000, -0.0018175000000000 ] - [ -0.0034056000000000, -0.0003436500000000, 0.0018605400000000 ] - [ 0.0010324600000000, -0.0005701300000000, -0.0012276100000000 ] - [ -0.0031346400000000, -0.0019086600000000, 0.0083233300000000 ] - [ 0.0008858400000000, 0.0009003200000000, 0.0026020300000000 ] - [ -0.0016333600000000, -0.0001748300000000, -0.0022453400000000 ] - [ -0.0018662100000000, -0.0001821800000000, 0.0020371600000000 ] - [ -0.0043960000000000, 0.0027374700000000, 0.0120705000000000 ] - [ -0.0087897800000000, 0.0168057000000000, -0.0217157000000000 ] - [ -0.0015380600000000, -0.0000025000000000, 0.0029475100000000 ] - [ 0.0012694700000000, -0.0007379000000000, -0.0026962400000000 ] - [ 0.0028010900000000, -0.0011978000000000, 0.0021765500000000 ] - [ -0.0010867300000000, 0.0000197100000000, 0.0030435600000000 ] - [ 0.0001382000000000, 0.0002880700000000, 0.0019594400000000 ] - [ 0.0000967500000000, 0.0001556300000000, -0.0011543500000000 ] - [ -0.0000126100000000, -0.0000453200000000, -0.0002141800000000 ] - [ 0.0011837000000000, -0.0005053200000000, 0.0014842500000000 ] - [ -0.0000126500000000, -0.0000054100000000, -0.0015147600000000 ] - [ 0.0016529200000000, 0.0001453000000000, -0.0009599200000000 ] - [ 0.0000416200000000, -0.0001909100000000, -0.0010513600000000 ] - [ 0.0003119400000000, -0.0000412800000000, -0.0009708500000000 ] - [ 0.0008010000000000, -0.0002391300000000, -0.0000265600000000 ] - [ 0.0004203100000000, 0.0000055200000000, -0.0010055700000000 ] - [ -0.0000962700000000, 0.0000326900000000, -0.0018968400000000 ] - [ -0.0001498500000000, 0.0004327500000000, -0.0009403400000000 ] - [ -0.0003404800000000, -0.0004181100000000, -0.0009356900000000 ]- atom: 81 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0003634100000000, 0.0000000000000000, -0.0004189300000000 ] - [ 0.0000890900000000, 0.0000000000000000, -0.0005554600000000 ] - [ -0.0001055600000000, 0.0000092700000000, -0.0000987000000000 ] - [ -0.0000984100000000, 0.0000000000000000, -0.0003967100000000 ] - [ 0.0002513400000000, -0.0000557800000000, 0.0000286700000000 ] - [ -0.0000071500000000, 0.0000087800000000, -0.0000460600000000 ] - [ -0.0000625500000000, 0.0000000000000000, 0.0000660600000000 ] - [ -0.0000071500000000, -0.0000087800000000, -0.0000460600000000 ] - [ -0.0000611100000000, 0.0000000000000000, -0.0000031900000000 ] - [ -0.0001036300000000, 0.0000000000000000, 0.0001817600000000 ] - [ -0.0007309400000000, -0.0003411800000000, 0.0000570600000000 ] - [ 0.0319764200000000, 0.0000000000000000, 0.0080114000000000 ] - [ 0.0004091500000000, 0.0000000000000000, -0.0001136700000000 ] - [ 0.0100305900000000, 0.0000000000000000, -0.0003875200000000 ] - [ -0.0007309400000000, 0.0003411800000000, 0.0000570600000000 ] - [ 0.0008018000000000, 0.0000000000000000, 0.0008075600000000 ] - [ -0.0080060900000000, -0.0003380700000000, -0.0028126000000000 ] - [ -0.0033832500000000, 0.0000000000000000, 0.0005303300000000 ] - [ -0.0006984800000000, 0.0003606500000000, -0.0018237200000000 ] - [ -0.0078172500000000, 0.0000000000000000, 0.0056500900000000 ] - [ -0.0080060900000000, 0.0003380700000000, -0.0028126000000000 ] - [ -0.0007049600000000, 0.0013760000000000, 0.0031818100000000 ] - [ -0.0122347200000000, 0.0000000000000000, -0.0035735200000000 ] - [ -0.0010983500000000, 0.0000000000000000, -0.0001059200000000 ] - [ 0.0000011500000000, 0.0000000000000000, 0.0010065300000000 ] - [ -0.0002043000000000, 0.0000000000000000, -0.0002429300000000 ] - [ 0.0002513400000000, 0.0000557800000000, 0.0000286700000000 ] - [ -0.0001310500000000, 0.0000000000000000, -0.0003209900000000 ] - [ -0.0001055600000000, -0.0000092700000000, -0.0000987000000000 ] - [ -0.0000260800000000, 0.0000050800000000, 0.0000513000000000 ] - [ -0.0001389700000000, 0.0000000000000000, 0.0000923100000000 ] - [ -0.0000260800000000, -0.0000050800000000, 0.0000513000000000 ] - [ -0.0001319800000000, 0.0000000000000000, 0.0001190300000000 ] - [ 0.0001837900000000, 0.0000000000000000, -0.0002349700000000 ] - [ 0.0012953400000000, -0.0001009700000000, -0.0010256000000000 ] - [ -0.0066485200000000, 0.0000000000000000, 0.0061341400000000 ] - [ 0.0001864000000000, 0.0000000000000000, -0.0001150800000000 ] - [ -0.0027437000000000, 0.0000000000000000, -0.0002596500000000 ] - [ 0.0012953400000000, 0.0001009700000000, -0.0010256000000000 ] - [ -0.0002673600000000, 0.0000000000000000, -0.0006817400000000 ] - [ 0.0289180900000000, 0.0033608500000000, -0.0045774100000000 ] - [ 0.0040512800000000, 0.0000000000000000, -0.0008129800000000 ] - [ -0.0007049600000000, -0.0013760000000000, 0.0031818100000000 ] - [ 0.0050046200000000, 0.0000000000000000, -0.0045988500000000 ] - [ 0.0289180900000000, -0.0033608500000000, -0.0045774100000000 ] - [ -0.0006984800000000, -0.0003606500000000, -0.0018237200000000 ] - [ 0.0063451800000000, 0.0000000000000000, 0.0042878700000000 ] - [ 0.0013904000000000, 0.0000000000000000, -0.0001448300000000 ] - [ -0.0002505600000000, 0.0000000000000000, -0.0003483800000000 ] - [ -0.0044533700000000, 0.0000000000000000, 0.0019131700000000 ] - [ -0.0033952400000000, 0.0000000000000000, 0.0005500500000000 ] - [ -0.0009658500000000, 0.0000000000000000, -0.0017332500000000 ] - [ 0.0000198300000000, 0.0000000000000000, -0.0000830700000000 ] - [ -0.0007440900000000, 0.0000000000000000, -0.0018618300000000 ] - [ 0.0117058800000000, 0.0000000000000000, 0.0002980100000000 ] - [ 0.0009207900000000, 0.0000000000000000, 0.0011970100000000 ] - [ 0.0000547800000000, 0.0001079300000000, 0.0003462700000000 ] - [ -0.0000440800000000, 0.0000000000000000, -0.0001946900000000 ] - [ -0.0000647100000000, 0.0000307500000000, -0.0001053100000000 ] - [ -0.0005705100000000, 0.0000000000000000, -0.0004402200000000 ] - [ -0.0001314600000000, -0.0001140000000000, -0.0003288200000000 ] - [ -0.0002406600000000, 0.0000000000000000, -0.0000358700000000 ] - [ -0.0004418100000000, 0.0000000000000000, -0.0000903300000000 ] - [ -0.0001388200000000, 0.0000153900000000, -0.0001347200000000 ] - [ -0.0004364200000000, 0.0000000000000000, -0.0003311300000000 ] - [ -0.0001314600000000, 0.0001140000000000, -0.0003288200000000 ] - [ -0.0000960100000000, 0.0000000000000000, -0.0002012800000000 ] - [ -0.0001388200000000, -0.0000153900000000, -0.0001347200000000 ] - [ 0.0000517800000000, 0.0000688800000000, 0.0003427100000000 ] - [ 0.0002432300000000, 0.0000000000000000, -0.0000084000000000 ] - [ 0.0002758700000000, 0.0000000000000000, 0.0001403700000000 ] - [ 0.0000517800000000, -0.0000688800000000, 0.0003427100000000 ] - [ -0.0000109200000000, -0.0001716100000000, -0.0000225700000000 ] - [ 0.0007927800000000, 0.0000000000000000, -0.0012782700000000 ] - [ 0.0001905100000000, 0.0000000000000000, -0.0005281600000000 ] - [ -0.0001065100000000, 0.0001319000000000, 0.0000616400000000 ] - [ 0.0034059600000000, 0.0002921400000000, -0.0005783300000000 ] - [ -0.0004745400000000, 0.0000000000000000, 0.0012840400000000 ] - [ -0.0001973100000000, 0.0000000000000000, -0.0002442100000000 ] - [ 0.0008455000000000, -0.0000070700000000, -0.0000999400000000 ] - [ -0.1368730700000000, 0.0000000000000000, 0.0008540200000000 ] - [ -0.0050579000000000, -0.0059490300000000, 0.0130720000000000 ] - [ 0.0008455000000000, 0.0000070700000000, -0.0000999400000000 ] - [ 0.0029390200000000, 0.0000000000000000, 0.0016474900000000 ] - [ 0.0024586600000000, 0.0002742500000000, -0.0010526600000000 ] - [ 0.0069074400000000, 0.0000000000000000, -0.0001382500000000 ] - [ 0.0035773300000000, 0.0000000000000000, 0.0024815200000000 ] - [ 0.0007463100000000, 0.0000000000000000, -0.0012138800000000 ] - [ 0.0147142600000000, 0.0083844800000000, 0.0005025700000000 ] - [ 0.0024586600000000, -0.0002742500000000, -0.0010526600000000 ] - [ 0.0022699100000000, 0.0000000000000000, -0.0062317100000000 ] - [ 0.0147142600000000, -0.0083844800000000, 0.0005025700000000 ] - [ 0.0006413600000000, 0.0000000000000000, -0.0003778600000000 ] - [ 0.0023252300000000, 0.0000000000000000, 0.0025661000000000 ] - [ -0.0016188200000000, -0.0000825300000000, -0.0001413600000000 ] - [ 0.0011480800000000, -0.0000806400000000, 0.0010062100000000 ] - [ -0.0000647100000000, -0.0000307500000000, -0.0001053100000000 ] - [ -0.0001527700000000, 0.0000000000000000, -0.0003219800000000 ] - [ 0.0000547800000000, -0.0001079300000000, 0.0003462700000000 ] - [ -0.0001046300000000, 0.0000000000000000, -0.0006218000000000 ] - [ -0.0001288500000000, -0.0001141300000000, -0.0003352800000000 ] - [ -0.0001469200000000, 0.0000000000000000, 0.0000654900000000 ] - [ -0.0000100300000000, 0.0000000000000000, -0.0000344100000000 ] - [ -0.0000334400000000, -0.0000025200000000, -0.0001922800000000 ] - [ -0.0004624000000000, 0.0000000000000000, -0.0004104800000000 ] - [ -0.0001288500000000, 0.0001141300000000, -0.0003352800000000 ] - [ -0.0000695600000000, 0.0000000000000000, -0.0002538600000000 ] - [ -0.0000334400000000, 0.0000025200000000, -0.0001922800000000 ] - [ -0.0000860600000000, -0.0000122700000000, -0.0003613200000000 ] - [ 0.0001531100000000, 0.0000000000000000, -0.0001384700000000 ] - [ 0.0002996600000000, 0.0000000000000000, 0.0000813200000000 ] - [ -0.0000860600000000, 0.0000122700000000, -0.0003613200000000 ] - [ -0.0001065100000000, -0.0001319000000000, 0.0000616400000000 ] - [ -0.0001110500000000, 0.0000000000000000, 0.0014308300000000 ] - [ -0.0005981100000000, 0.0000000000000000, -0.0003389700000000 ] - [ -0.0000109200000000, 0.0001716100000000, -0.0000225700000000 ] - [ -0.0050579000000000, 0.0059490300000000, 0.0130720000000000 ] - [ 0.0007790100000000, 0.0000000000000000, -0.0008479100000000 ] - [ 0.0004646100000000, 0.0000000000000000, -0.0001946000000000 ] - [ -0.0021192300000000, -0.0007229800000000, -0.0013918900000000 ] - [ 0.0079849000000000, 0.0000000000000000, 0.0003456800000000 ] - [ 0.0034059600000000, -0.0002921400000000, -0.0005783300000000 ] - [ -0.0021192300000000, 0.0007229800000000, -0.0013918900000000 ] - [ 0.0060063500000000, 0.0000000000000000, -0.0267067800000000 ] - [ -0.0023433700000000, 0.0017953200000000, 0.0035550800000000 ] - [ -0.0097074600000000, 0.0000000000000000, 0.0005092900000000 ] - [ -0.0026325600000000, 0.0000000000000000, -0.0027839000000000 ] - [ -0.0001612600000000, 0.0000000000000000, 0.0019551000000000 ] - [ 0.0136615300000000, 0.0108248800000000, 0.0003143700000000 ] - [ -0.0023433700000000, -0.0017953200000000, 0.0035550800000000 ] - [ 0.0009808200000000, 0.0000000000000000, 0.0031499700000000 ] - [ 0.0136615300000000, -0.0108248800000000, 0.0003143700000000 ] - [ -0.0004524600000000, 0.0000000000000000, 0.0012741000000000 ] - [ -0.0015112200000000, 0.0000000000000000, -0.0024519700000000 ] - [ 0.0011480800000000, 0.0000806400000000, 0.0010062100000000 ] - [ -0.0016188200000000, 0.0000825300000000, -0.0001413600000000 ]- atom: 81 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0000745600000000, 0.0000000000000000, 0.0010132500000000 ] - [ -0.0002135700000000, 0.0000000000000000, -0.0002232700000000 ] - [ 0.0002667300000000, 0.0000697700000000, 0.0000234400000000 ] - [ -0.0001294000000000, 0.0000000000000000, -0.0003183500000000 ] - [ -0.0000930600000000, -0.0000231300000000, -0.0001031200000000 ] - [ -0.0000318800000000, 0.0000002500000000, 0.0000553900000000 ] - [ -0.0001369000000000, 0.0000000000000000, 0.0000957500000000 ] - [ -0.0000318800000000, -0.0000002500000000, 0.0000553900000000 ] - [ -0.0001360900000000, 0.0000000000000000, 0.0001224700000000 ] - [ 0.0000987800000000, 0.0000000000000000, -0.0002318400000000 ] - [ 0.0009287600000000, 0.0001944900000000, -0.0007936800000000 ] - [ -0.0345995300000000, 0.0000000000000000, -0.0103501800000000 ] - [ 0.0001966100000000, 0.0000000000000000, -0.0001171700000000 ] - [ -0.0099390500000000, 0.0000000000000000, -0.0003124300000000 ] - [ 0.0009287600000000, -0.0001944900000000, -0.0007936800000000 ] - [ -0.0000847200000000, 0.0000000000000000, -0.0011404200000000 ] - [ 0.0081385800000000, 0.0004185100000000, 0.0028629900000000 ] - [ 0.0031466700000000, 0.0000000000000000, 0.0000453700000000 ] - [ 0.0005052500000000, -0.0001301100000000, 0.0027713300000000 ] - [ 0.0082584400000000, 0.0000000000000000, -0.0046031600000000 ] - [ 0.0081385800000000, -0.0004185100000000, 0.0028629900000000 ] - [ 0.0004795200000000, -0.0016157600000000, -0.0022447400000000 ] - [ 0.0125856100000000, 0.0000000000000000, 0.0043102100000000 ] - [ 0.0011647800000000, 0.0000000000000000, -0.0001517500000000 ] - [ 0.0002865900000000, 0.0000000000000000, -0.0004212300000000 ] - [ 0.0000796700000000, 0.0000000000000000, -0.0005376900000000 ] - [ -0.0000930600000000, 0.0000231300000000, -0.0001031200000000 ] - [ -0.0000972500000000, 0.0000000000000000, -0.0003939900000000 ] - [ 0.0002667300000000, -0.0000697700000000, 0.0000234400000000 ] - [ -0.0000120200000000, 0.0000040800000000, -0.0000414300000000 ] - [ -0.0000596900000000, 0.0000000000000000, 0.0000691900000000 ] - [ -0.0000120200000000, -0.0000040800000000, -0.0000414300000000 ] - [ -0.0000654400000000, 0.0000000000000000, -0.0000003000000000 ] - [ -0.0001900800000000, 0.0000000000000000, 0.0001819500000000 ] - [ -0.0010968800000000, -0.0000477100000000, 0.0002756800000000 ] - [ 0.0067559000000000, 0.0000000000000000, -0.0065001400000000 ] - [ 0.0004175400000000, 0.0000000000000000, -0.0001127700000000 ] - [ 0.0027999400000000, 0.0000000000000000, -0.0003809600000000 ] - [ -0.0010968800000000, 0.0000477100000000, 0.0002756800000000 ] - [ 0.0009644800000000, 0.0000000000000000, 0.0003525100000000 ] - [ -0.0286107900000000, -0.0027310200000000, 0.0041534600000000 ] - [ -0.0043181900000000, 0.0000000000000000, 0.0014145300000000 ] - [ 0.0004795200000000, 0.0016157600000000, -0.0022447400000000 ] - [ -0.0045035000000000, 0.0000000000000000, 0.0056770500000000 ] - [ -0.0286107900000000, 0.0027310200000000, 0.0041534600000000 ] - [ 0.0005052500000000, 0.0001301100000000, 0.0027713300000000 ] - [ -0.0060566900000000, 0.0000000000000000, -0.0035306700000000 ] - [ -0.0013316300000000, 0.0000000000000000, -0.0001048800000000 ] - [ 0.0000804800000000, 0.0000000000000000, -0.0000792900000000 ] - [ 0.0045269700000000, 0.0000000000000000, -0.0018697500000000 ] - [ 0.0036651800000000, 0.0000000000000000, 0.0004556200000000 ] - [ 0.0009290900000000, 0.0000000000000000, 0.0012203700000000 ] - [ -0.0001859700000000, 0.0000000000000000, -0.0003447500000000 ] - [ 0.0007660400000000, 0.0000000000000000, 0.0018968500000000 ] - [ -0.0114773400000000, 0.0000000000000000, 0.0004922800000000 ] - [ -0.0009317900000000, 0.0000000000000000, -0.0017192700000000 ] - [ -0.0000716700000000, -0.0000343200000000, -0.0001287100000000 ] - [ -0.0001604000000000, 0.0000000000000000, -0.0003231900000000 ] - [ 0.0000500400000000, -0.0001050100000000, 0.0003252300000000 ] - [ -0.0001137700000000, 0.0000000000000000, -0.0005809000000000 ] - [ -0.0001304400000000, -0.0001134900000000, -0.0003382200000000 ] - [ -0.0001484900000000, 0.0000000000000000, 0.0000599300000000 ] - [ 0.0000029700000000, 0.0000000000000000, -0.0000380000000000 ] - [ -0.0000305400000000, 0.0000001000000000, -0.0001915200000000 ] - [ -0.0004658400000000, 0.0000000000000000, -0.0004120400000000 ] - [ -0.0001304400000000, 0.0001134900000000, -0.0003382200000000 ] - [ -0.0000686000000000, 0.0000000000000000, -0.0002530500000000 ] - [ -0.0000305400000000, -0.0000001000000000, -0.0001915200000000 ] - [ -0.0000976500000000, 0.0000156200000000, -0.0004553300000000 ] - [ 0.0001519000000000, 0.0000000000000000, -0.0001565500000000 ] - [ 0.0003015700000000, 0.0000000000000000, 0.0000781800000000 ] - [ -0.0000976500000000, -0.0000156200000000, -0.0004553300000000 ] - [ -0.0000937600000000, -0.0001266600000000, 0.0000656300000000 ] - [ -0.0009003600000000, 0.0000000000000000, 0.0014008900000000 ] - [ -0.0005549100000000, 0.0000000000000000, -0.0001600000000000 ] - [ 0.0000023300000000, 0.0001662900000000, -0.0000172000000000 ] - [ -0.0034528000000000, -0.0003801400000000, 0.0008619800000000 ] - [ 0.0007429200000000, 0.0000000000000000, -0.0017550700000000 ] - [ 0.0005372400000000, 0.0000000000000000, -0.0001906200000000 ] - [ -0.0010201700000000, -0.0000548100000000, -0.0009237900000000 ] - [ 0.1394757800000000, 0.0000000000000000, 0.0026335600000000 ] - [ 0.0051122800000000, 0.0059978500000000, -0.0127116500000000 ] - [ -0.0010201700000000, 0.0000548100000000, -0.0009237900000000 ] - [ -0.0033163000000000, 0.0000000000000000, -0.0020728300000000 ] - [ -0.0024208700000000, 0.0000520400000000, 0.0014709800000000 ] - [ -0.0061031600000000, 0.0000000000000000, 0.0004253100000000 ] - [ -0.0034454500000000, 0.0000000000000000, -0.0027859600000000 ] - [ -0.0008349500000000, 0.0000000000000000, 0.0019697200000000 ] - [ -0.0149412500000000, -0.0081666500000000, 0.0004108500000000 ] - [ -0.0024208700000000, -0.0000520400000000, 0.0014709800000000 ] - [ -0.0021394200000000, 0.0000000000000000, 0.0073919200000000 ] - [ -0.0149412500000000, 0.0081666500000000, 0.0004108500000000 ] - [ -0.0005261700000000, 0.0000000000000000, 0.0010601100000000 ] - [ -0.0019295300000000, 0.0000000000000000, -0.0024709300000000 ] - [ 0.0014880700000000, 0.0003316000000000, 0.0011089300000000 ] - [ -0.0012908900000000, -0.0001659100000000, -0.0000357900000000 ] - [ 0.0000500400000000, 0.0001050100000000, 0.0003252300000000 ] - [ -0.0000508000000000, 0.0000000000000000, -0.0001955800000000 ] - [ -0.0000716700000000, 0.0000343200000000, -0.0001287100000000 ] - [ -0.0005818000000000, 0.0000000000000000, -0.0003969500000000 ] - [ -0.0001334000000000, -0.0001133400000000, -0.0003317100000000 ] - [ -0.0002432700000000, 0.0000000000000000, -0.0000416300000000 ] - [ -0.0004301600000000, 0.0000000000000000, -0.0000913600000000 ] - [ -0.0001360900000000, 0.0000179700000000, -0.0001332400000000 ] - [ -0.0004407400000000, 0.0000000000000000, -0.0003327000000000 ] - [ -0.0001334000000000, 0.0001133400000000, -0.0003317100000000 ] - [ -0.0000949800000000, 0.0000000000000000, -0.0002007000000000 ] - [ -0.0001360900000000, -0.0000179700000000, -0.0001332400000000 ] - [ 0.0000344400000000, 0.0000965900000000, 0.0002452300000000 ] - [ 0.0002403100000000, 0.0000000000000000, -0.0000262800000000 ] - [ 0.0002776000000000, 0.0000000000000000, 0.0001370600000000 ] - [ 0.0000344400000000, -0.0000965900000000, 0.0002452300000000 ] - [ 0.0000023300000000, -0.0001662900000000, -0.0000172000000000 ] - [ 0.0000138500000000, 0.0000000000000000, -0.0012929800000000 ] - [ 0.0002330300000000, 0.0000000000000000, -0.0003446000000000 ] - [ -0.0000937600000000, 0.0001266600000000, 0.0000656300000000 ] - [ 0.0051122800000000, -0.0059978500000000, -0.0127116500000000 ] - [ -0.0005172300000000, 0.0000000000000000, 0.0003572300000000 ] - [ -0.0001226500000000, 0.0000000000000000, -0.0002465500000000 ] - [ 0.0019323800000000, 0.0006580700000000, 0.0003781000000000 ] - [ -0.0077740500000000, 0.0000000000000000, -0.0000457700000000 ] - [ -0.0034528000000000, 0.0003801400000000, 0.0008619800000000 ] - [ 0.0019323800000000, -0.0006580700000000, 0.0003781000000000 ] - [ -0.0064120000000000, 0.0000000000000000, 0.0260717000000000 ] - [ 0.0023571100000000, -0.0014761300000000, -0.0031770800000000 ] - [ 0.0105360400000000, 0.0000000000000000, -0.0002289200000000 ] - [ 0.0027249900000000, 0.0000000000000000, 0.0025031900000000 ] - [ 0.0000668800000000, 0.0000000000000000, -0.0012192800000000 ] - [ -0.0135070200000000, -0.0102765800000000, 0.0005953500000000 ] - [ 0.0023571100000000, 0.0014761300000000, -0.0031770800000000 ] - [ -0.0008651600000000, 0.0000000000000000, -0.0020255300000000 ] - [ -0.0135070200000000, 0.0102765800000000, 0.0005953500000000 ] - [ 0.0005615600000000, 0.0000000000000000, -0.0005996800000000 ] - [ 0.0019335200000000, 0.0000000000000000, 0.0025409400000000 ] - [ -0.0012908900000000, 0.0001659100000000, -0.0000357900000000 ] - [ 0.0014880700000000, -0.0003316000000000, 0.0011089300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001446100000000, 0.0000615300000000, 0.0002955200000000 ] - [ -0.0000620300000000, -0.0000138500000000, -0.0003896300000000 ] - [ 0.0000718700000000, 0.0000398100000000, -0.0000406000000000 ] - [ -0.0001134400000000, -0.0000011100000000, -0.0003577800000000 ] - [ 0.0000865800000000, -0.0000387900000000, -0.0000266600000000 ] - [ -0.0000166600000000, 0.0000054200000000, 0.0000071600000000 ] - [ -0.0000995000000000, -0.0000015700000000, 0.0000806200000000 ] - [ -0.0000221700000000, -0.0000039400000000, 0.0000009900000000 ] - [ -0.0000984800000000, 0.0000023400000000, 0.0000596800000000 ] - [ -0.0000027300000000, 0.0000478600000000, -0.0000266000000000 ] - [ 0.0000831700000000, -0.0000704700000000, -0.0003646800000000 ] - [ 0.0001155600000000, 0.0227489200000000, -0.0001715700000000 ] - [ 0.0003022700000000, -0.0000087400000000, -0.0001158700000000 ] - [ 0.0000109400000000, 0.0074203600000000, -0.0003426300000000 ] - [ 0.0001150300000000, 0.0000744000000000, -0.0003760900000000 ] - [ 0.0003551900000000, 0.0005117000000000, -0.0001683100000000 ] - [ -0.0018654800000000, 0.0001065600000000, -0.0016323300000000 ] - [ -0.0001257700000000, 0.0002135700000000, 0.0002934400000000 ] - [ -0.0013443800000000, 0.0003345800000000, -0.0004163800000000 ] - [ 0.0001905500000000, 0.0037504300000000, 0.0005463200000000 ] - [ 0.0019730000000000, 0.0000186300000000, 0.0016482700000000 ] - [ -0.0000773500000000, -0.0000885200000000, 0.0003547400000000 ] - [ 0.0001925200000000, 0.0048417500000000, 0.0003796900000000 ] - [ 0.0000312100000000, -0.0000262100000000, -0.0001264700000000 ] - [ 0.0001443700000000, 0.0000175300000000, 0.0002983600000000 ] - [ -0.0000623100000000, -0.0000079600000000, -0.0003890800000000 ] - [ 0.0000740100000000, 0.0000401800000000, -0.0000470200000000 ] - [ -0.0001133300000000, 0.0000006700000000, -0.0003576500000000 ] - [ 0.0000871200000000, -0.0000389300000000, -0.0000331100000000 ] - [ -0.0000162300000000, 0.0000054500000000, 0.0000065500000000 ] - [ -0.0000996400000000, -0.0000007800000000, 0.0000806400000000 ] - [ -0.0000223800000000, -0.0000040200000000, 0.0000016100000000 ] - [ -0.0000984300000000, 0.0000010200000000, 0.0000598600000000 ] - [ -0.0000032900000000, 0.0000386600000000, -0.0000264500000000 ] - [ -0.0001891300000000, -0.0000647300000000, -0.0007708300000000 ] - [ 0.0000373400000000, -0.0035978500000000, -0.0002014500000000 ] - [ 0.0003024300000000, -0.0000043100000000, -0.0001154700000000 ] - [ 0.0000274100000000, -0.0001884100000000, -0.0003270100000000 ] - [ 0.0003819900000000, 0.0000820100000000, 0.0000295800000000 ] - [ 0.0003539300000000, 0.0000234500000000, -0.0001651000000000 ] - [ 0.0050108100000000, 0.0244813000000000, -0.0114345400000000 ] - [ -0.0001183800000000, -0.0021675000000000, 0.0002859000000000 ] - [ -0.0001384700000000, 0.0001262500000000, 0.0005974700000000 ] - [ 0.0001707600000000, -0.0071796500000000, 0.0005190300000000 ] - [ -0.0038264800000000, 0.0227457200000000, 0.0100829400000000 ] - [ 0.0011195300000000, 0.0000992700000000, 0.0013580100000000 ] - [ 0.0002707900000000, -0.0107309500000000, 0.0003675400000000 ] - [ 0.0000346100000000, 0.0002600600000000, -0.0001264400000000 ] - [ -0.0000838000000000, -0.0000271300000000, -0.0002140700000000 ] - [ 0.0000416500000000, 0.0000748700000000, 0.0000187300000000 ] - [ 0.0001289700000000, -0.0005093500000000, 0.0005124000000000 ] - [ -0.0000104900000000, 0.0004881100000000, -0.0002599200000000 ] - [ -0.0000835500000000, -0.0000425500000000, -0.0002144900000000 ] - [ 0.0000264000000000, -0.0054057000000000, 0.0000207700000000 ] - [ 0.0001499600000000, 0.0086516200000000, 0.0003843300000000 ] - [ -0.0000094700000000, -0.0004875300000000, -0.0002570300000000 ] - [ 0.0000036600000000, 0.0000443000000000, 0.0001362700000000 ] - [ -0.0001016900000000, 0.0000054200000000, -0.0002575600000000 ] - [ 0.0000002500000000, -0.0000346500000000, 0.0000975200000000 ] - [ -0.0003424600000000, 0.0000044500000000, -0.0005093100000000 ] - [ -0.0001313800000000, -0.0001141800000000, -0.0003324600000000 ] - [ -0.0001952700000000, -0.0000012600000000, 0.0000125800000000 ] - [ -0.0002200900000000, -0.0000137000000000, -0.0000633400000000 ] - [ -0.0000857900000000, 0.0000074600000000, -0.0001598200000000 ] - [ -0.0004502400000000, 0.0000040800000000, -0.0003712500000000 ] - [ -0.0001307900000000, 0.0001140600000000, -0.0003345900000000 ] - [ -0.0000822100000000, 0.0000007800000000, -0.0002260200000000 ] - [ -0.0000833000000000, -0.0000070000000000, -0.0001648000000000 ] - [ 0.0000190600000000, 0.0000346900000000, 0.0000310100000000 ] - [ 0.0001978300000000, -0.0000070900000000, -0.0000826700000000 ] - [ 0.0002884400000000, -0.0000007000000000, 0.0001089600000000 ] - [ -0.0000666500000000, -0.0000503700000000, -0.0001464700000000 ] - [ -0.0000580000000000, -0.0001467400000000, 0.0000315800000000 ] - [ -0.0000546900000000, -0.0000589800000000, 0.0000657100000000 ] - [ -0.0001829500000000, -0.0000165900000000, -0.0003429100000000 ] - [ -0.0000507400000000, 0.0001505000000000, 0.0000137100000000 ] - [ 0.0002589600000000, 0.0000584400000000, -0.0002474400000000 ] - [ 0.0001327700000000, -0.0015445700000000, -0.0002458200000000 ] - [ 0.0001712500000000, -0.0000845100000000, -0.0002176700000000 ] - [ -0.0001032900000000, -0.0000111200000000, -0.0005600100000000 ] - [ -0.0010397300000000, -0.1302228700000000, 0.0016993500000000 ] - [ -0.0060451000000000, 0.0055160400000000, -0.0214921800000000 ] - [ -0.0000746100000000, 0.0000516200000000, -0.0004573000000000 ] - [ -0.0001924300000000, 0.0011413200000000, -0.0001999300000000 ] - [ 0.0001454900000000, -0.0000568900000000, -0.0003443800000000 ] - [ 0.0004097600000000, -0.0014893900000000, 0.0001432700000000 ] - [ 0.0000688700000000, -0.0018737900000000, -0.0001357300000000 ] - [ -0.0000420200000000, -0.0000597400000000, 0.0003695900000000 ] - [ 0.0101628000000000, 0.0028797000000000, 0.0005740100000000 ] - [ -0.0000986900000000, -0.0003858100000000, 0.0007482400000000 ] - [ 0.0000793500000000, -0.0021346900000000, 0.0005333100000000 ] - [ -0.0102390100000000, 0.0024637500000000, 0.0003284500000000 ] - [ 0.0000559100000000, 0.0000646100000000, 0.0003401200000000 ] - [ 0.0002046600000000, -0.0007180000000000, 0.0000429800000000 ] - [ -0.0003728000000000, 0.0000520900000000, 0.0006814300000000 ] - [ -0.0001215900000000, -0.0001141800000000, 0.0004910400000000 ] - [ -0.0000164800000000, 0.0000381000000000, 0.0001216700000000 ] - [ -0.0001020400000000, 0.0000021500000000, -0.0002577800000000 ] - [ -0.0000190600000000, -0.0000291300000000, 0.0000844000000000 ] - [ -0.0003416400000000, -0.0000002200000000, -0.0005099700000000 ] - [ -0.0001311700000000, -0.0001140900000000, -0.0003324800000000 ] - [ -0.0001950300000000, -0.0000028300000000, 0.0000127200000000 ] - [ -0.0002194600000000, 0.0000001700000000, -0.0000633900000000 ] - [ -0.0000860500000000, 0.0000076500000000, -0.0001607700000000 ] - [ -0.0004502900000000, 0.0000033100000000, -0.0003710400000000 ] - [ -0.0001308500000000, 0.0001140600000000, -0.0003344200000000 ] - [ -0.0000821700000000, 0.0000008800000000, -0.0002261300000000 ] - [ -0.0000827500000000, -0.0000067000000000, -0.0001641000000000 ] - [ -0.0000962500000000, 0.0000231400000000, 0.0000166200000000 ] - [ 0.0001977700000000, -0.0000049700000000, -0.0000823700000000 ] - [ 0.0002884200000000, -0.0000007100000000, 0.0001088900000000 ] - [ 0.0000473600000000, -0.0000620300000000, -0.0001311000000000 ] - [ -0.0000539100000000, -0.0001483800000000, 0.0000304600000000 ] - [ -0.0000507100000000, 0.0008842100000000, 0.0000631100000000 ] - [ -0.0001817800000000, 0.0000427200000000, -0.0003425400000000 ] - [ -0.0000470300000000, 0.0001521100000000, 0.0000123700000000 ] - [ 0.0059658900000000, 0.0054943000000000, 0.0216358200000000 ] - [ 0.0001321000000000, 0.0000617200000000, -0.0002438400000000 ] - [ 0.0001706900000000, 0.0000115000000000, -0.0002184100000000 ] - [ -0.0007343200000000, -0.0003833300000000, 0.0003364200000000 ] - [ 0.0001147400000000, 0.0018549400000000, 0.0001527600000000 ] - [ -0.0002992100000000, 0.0001488200000000, 0.0005397100000000 ] - [ 0.0005615700000000, -0.0003248000000000, -0.0013468500000000 ] - [ -0.0002478800000000, -0.0064796500000000, -0.0001230200000000 ] - [ 0.0016573100000000, 0.0025649900000000, 0.0045237700000000 ] - [ 0.0004248100000000, 0.0397518500000000, 0.0001527900000000 ] - [ 0.0000732100000000, 0.0027420100000000, -0.0001542700000000 ] - [ -0.0000435100000000, 0.0007522200000000, 0.0003774300000000 ] - [ 0.0085682500000000, 0.0046122700000000, 0.0004283900000000 ] - [ -0.0015982300000000, 0.0022449900000000, -0.0040748600000000 ] - [ 0.0000698500000000, 0.0012635300000000, 0.0005553900000000 ] - [ -0.0084925800000000, 0.0042477700000000, 0.0004798200000000 ] - [ 0.0000567900000000, -0.0005522400000000, 0.0003418600000000 ] - [ 0.0001934300000000, 0.0010973600000000, 0.0000488600000000 ] - [ -0.0000136900000000, 0.0001341700000000, 0.0004765000000000 ] - [ 0.0002291600000000, -0.0001918200000000, 0.0002851900000000 ]- atom: 81 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0000105000000000, 0.0000000000000000, -0.0029147600000000 ] - [ -0.0000960600000000, 0.0000000000000000, -0.0027339600000000 ] - [ -0.0001482900000000, 0.0000795200000000, -0.0021421700000000 ] - [ -0.0000735600000000, 0.0000000000000000, -0.0026000600000000 ] - [ 0.0002427100000000, -0.0000601700000000, -0.0023668600000000 ] - [ -0.0002802600000000, -0.0000204900000000, -0.0026564000000000 ] - [ -0.0001901100000000, 0.0000000000000000, -0.0024244000000000 ] - [ -0.0002802600000000, 0.0000204900000000, -0.0026564000000000 ] - [ -0.0000430100000000, 0.0000000000000000, -0.0023757100000000 ] - [ 0.0000984500000000, 0.0000000000000000, -0.0024756000000000 ] - [ 0.0004473500000000, 0.0003019000000000, -0.0016247700000000 ] - [ 0.0138667000000000, 0.0000000000000000, 0.0404099800000000 ] - [ 0.0004455200000000, 0.0000000000000000, -0.0027481800000000 ] - [ 0.0016384600000000, 0.0000000000000000, -0.0091995400000000 ] - [ 0.0004473500000000, -0.0003019000000000, -0.0016247700000000 ] - [ 0.0018219200000000, 0.0000000000000000, -0.0031338700000000 ] - [ -0.0010985800000000, -0.0001086400000000, 0.0062849500000000 ] - [ -0.0006840700000000, 0.0000000000000000, 0.0001885500000000 ] - [ -0.0041345300000000, 0.0005726300000000, -0.0017496700000000 ] - [ 0.0038018800000000, 0.0000000000000000, 0.0072199500000000 ] - [ -0.0010985800000000, 0.0001086400000000, 0.0062849500000000 ] - [ 0.0023288700000000, -0.0019134600000000, -0.0011578900000000 ] - [ -0.0055396000000000, 0.0000000000000000, 0.0055925000000000 ] - [ -0.0001841600000000, 0.0000000000000000, -0.0019560000000000 ] - [ 0.0003034000000000, 0.0000000000000000, -0.0019516500000000 ] - [ 0.0000720400000000, 0.0000000000000000, -0.0024580000000000 ] - [ 0.0002427100000000, 0.0000601700000000, -0.0023668600000000 ] - [ -0.0000694900000000, 0.0000000000000000, -0.0025531300000000 ] - [ -0.0001482900000000, -0.0000795200000000, -0.0021421700000000 ] - [ -0.0001327200000000, -0.0000042400000000, -0.0025566700000000 ] - [ -0.0002161300000000, 0.0000000000000000, -0.0023526300000000 ] - [ -0.0001327200000000, 0.0000042400000000, -0.0025566700000000 ] - [ 0.0000368100000000, 0.0000000000000000, -0.0022589400000000 ] - [ -0.0002617900000000, 0.0000000000000000, -0.0029046100000000 ] - [ -0.0000500400000000, -0.0001892000000000, -0.0038409600000000 ] - [ 0.0000682400000000, 0.0000000000000000, 0.0084650900000000 ] - [ 0.0002685200000000, 0.0000000000000000, -0.0021224400000000 ] - [ -0.0005711300000000, 0.0000000000000000, 0.0012962500000000 ] - [ -0.0000500400000000, 0.0001892000000000, -0.0038409600000000 ] - [ -0.0014733500000000, 0.0000000000000000, -0.0017841800000000 ] - [ -0.0005762700000000, -0.0077432900000000, 0.0393944900000000 ] - [ 0.0034075900000000, 0.0000000000000000, -0.0036541500000000 ] - [ 0.0023288700000000, 0.0019134600000000, -0.0011578900000000 ] - [ -0.0038444300000000, 0.0000000000000000, 0.0076356100000000 ] - [ -0.0005762700000000, 0.0077432900000000, 0.0393944900000000 ] - [ -0.0041345300000000, -0.0005726300000000, -0.0017496700000000 ] - [ 0.0048637400000000, 0.0000000000000000, 0.0082831700000000 ] - [ 0.0002926900000000, 0.0000000000000000, -0.0037323900000000 ] - [ -0.0003504600000000, 0.0000000000000000, -0.0018205300000000 ] - [ 0.0042716100000000, 0.0000000000000000, 0.0011816900000000 ] - [ -0.0006241400000000, 0.0000000000000000, 0.0028277000000000 ] - [ -0.0022156900000000, 0.0000000000000000, -0.0003760500000000 ] - [ 0.0002888100000000, 0.0000000000000000, -0.0019263100000000 ] - [ -0.0049110700000000, 0.0000000000000000, 0.0001056200000000 ] - [ 0.0019200700000000, 0.0000000000000000, 0.0455184800000000 ] - [ 0.0021866100000000, 0.0000000000000000, -0.0008723500000000 ] - [ 0.0003509400000000, 0.0003735500000000, 0.0016797100000000 ] - [ -0.0000085000000000, 0.0000000000000000, 0.0015808400000000 ] - [ -0.0000307600000000, -0.0003168000000000, 0.0014337000000000 ] - [ -0.0007746400000000, 0.0000000000000000, 0.0011132300000000 ] - [ 0.0000790800000000, -0.0002280500000000, 0.0011149000000000 ] - [ -0.0003465200000000, 0.0000000000000000, 0.0015589300000000 ] - [ -0.0002748900000000, 0.0000000000000000, 0.0020618500000000 ] - [ -0.0000546000000000, -0.0000753400000000, 0.0014920300000000 ] - [ -0.0005101000000000, 0.0000000000000000, 0.0012224600000000 ] - [ 0.0000790800000000, 0.0002280500000000, 0.0011149000000000 ] - [ -0.0001434900000000, 0.0000000000000000, 0.0013952700000000 ] - [ -0.0000546000000000, 0.0000753400000000, 0.0014920300000000 ] - [ 0.0005122300000000, 0.0001212300000000, 0.0018015200000000 ] - [ 0.0002563700000000, 0.0000000000000000, 0.0015593100000000 ] - [ 0.0001091000000000, 0.0000000000000000, 0.0019002100000000 ] - [ 0.0005122300000000, -0.0001212300000000, 0.0018015200000000 ] - [ 0.0001055600000000, -0.0000048800000000, 0.0014158500000000 ] - [ -0.0013498200000000, 0.0000000000000000, 0.0013392000000000 ] - [ -0.0003379900000000, 0.0000000000000000, 0.0008593400000000 ] - [ 0.0002338600000000, 0.0000109000000000, 0.0016586100000000 ] - [ -0.0003454800000000, -0.0004620700000000, -0.0028758900000000 ] - [ 0.0009560800000000, 0.0000000000000000, 0.0028060100000000 ] - [ 0.0000858800000000, 0.0000000000000000, 0.0022108900000000 ] - [ 0.0005185500000000, -0.0000837300000000, -0.0005093700000000 ] - [ -0.0199865500000000, 0.0000000000000000, -0.2136878300000000 ] - [ 0.0097276300000000, -0.0180991700000000, 0.0222624500000000 ] - [ 0.0005185500000000, 0.0000837300000000, -0.0005093700000000 ] - [ 0.0022206300000000, 0.0000000000000000, -0.0032614500000000 ] - [ -0.0011231700000000, -0.0004480900000000, -0.0014781200000000 ] - [ 0.0016013400000000, 0.0000000000000000, -0.0035295300000000 ] - [ 0.0035695000000000, 0.0000000000000000, -0.0037307200000000 ] - [ -0.0011530000000000, 0.0000000000000000, 0.0019893600000000 ] - [ -0.0011577200000000, 0.0003509300000000, -0.0066857300000000 ] - [ -0.0011231700000000, 0.0004480900000000, -0.0014781200000000 ] - [ -0.0067732600000000, 0.0000000000000000, 0.0047885900000000 ] - [ -0.0011577200000000, -0.0003509300000000, -0.0066857300000000 ] - [ -0.0006338100000000, 0.0000000000000000, 0.0009320500000000 ] - [ 0.0023039500000000, 0.0000000000000000, -0.0008376000000000 ] - [ -0.0007391900000000, 0.0001180400000000, 0.0021750900000000 ] - [ 0.0005985800000000, -0.0000038700000000, 0.0011562800000000 ] - [ -0.0000307600000000, 0.0003168000000000, 0.0014337000000000 ] - [ -0.0001434100000000, 0.0000000000000000, 0.0015515200000000 ] - [ 0.0003509400000000, -0.0003735500000000, 0.0016797100000000 ] - [ -0.0005982000000000, 0.0000000000000000, 0.0007625200000000 ] - [ 0.0000641700000000, -0.0002304700000000, 0.0011064400000000 ] - [ -0.0002082500000000, 0.0000000000000000, 0.0015580800000000 ] - [ -0.0001524800000000, 0.0000000000000000, 0.0015464800000000 ] - [ -0.0000830200000000, -0.0000655400000000, 0.0013586700000000 ] - [ -0.0006472800000000, 0.0000000000000000, 0.0012197000000000 ] - [ 0.0000641700000000, 0.0002304700000000, 0.0011064400000000 ] - [ -0.0001914400000000, 0.0000000000000000, 0.0013291100000000 ] - [ -0.0000830200000000, 0.0000655400000000, 0.0013586700000000 ] - [ -0.0004951900000000, 0.0001206800000000, 0.0013832300000000 ] - [ -0.0000138600000000, 0.0000000000000000, 0.0015729900000000 ] - [ 0.0000768700000000, 0.0000000000000000, 0.0018272600000000 ] - [ -0.0004951900000000, -0.0001206800000000, 0.0013832300000000 ] - [ 0.0002338600000000, -0.0000109000000000, 0.0016586100000000 ] - [ 0.0013650000000000, 0.0000000000000000, 0.0032010800000000 ] - [ -0.0002112900000000, 0.0000000000000000, 0.0016495100000000 ] - [ 0.0001055600000000, 0.0000048800000000, 0.0014158500000000 ] - [ 0.0097276300000000, 0.0180991700000000, 0.0222624500000000 ] - [ -0.0003840900000000, 0.0000000000000000, -0.0002632900000000 ] - [ 0.0002908000000000, 0.0000000000000000, 0.0009515200000000 ] - [ -0.0010075800000000, 0.0001890300000000, 0.0023180100000000 ] - [ 0.0014305800000000, 0.0000000000000000, -0.0036753600000000 ] - [ -0.0003454800000000, 0.0004620700000000, -0.0028758900000000 ] - [ -0.0010075800000000, -0.0001890300000000, 0.0023180100000000 ] - [ -0.0208086000000000, 0.0000000000000000, 0.0169021400000000 ] - [ 0.0032858300000000, 0.0047812800000000, 0.0058539900000000 ] - [ -0.0002749400000000, 0.0000000000000000, -0.0106505800000000 ] - [ -0.0033171900000000, 0.0000000000000000, -0.0056982800000000 ] - [ 0.0011704900000000, 0.0000000000000000, 0.0039642100000000 ] - [ 0.0047328500000000, 0.0036967600000000, -0.0070484500000000 ] - [ 0.0032858300000000, -0.0047812800000000, 0.0058539900000000 ] - [ 0.0031015500000000, 0.0000000000000000, -0.0006900200000000 ] - [ 0.0047328500000000, -0.0036967600000000, -0.0070484500000000 ] - [ 0.0006692200000000, 0.0000000000000000, 0.0021563400000000 ] - [ -0.0018207300000000, 0.0000000000000000, -0.0012744800000000 ] - [ 0.0005985800000000, 0.0000038700000000, 0.0011562800000000 ] - [ -0.0007391900000000, -0.0001180400000000, 0.0021750900000000 ]- atom: 81 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0002772800000000, 0.0000000000000000, 0.0034972200000000 ] - [ -0.0000289500000000, 0.0000000000000000, 0.0019516600000000 ] - [ 0.0003066300000000, -0.0000005100000000, 0.0020667300000000 ] - [ -0.0001558100000000, 0.0000000000000000, 0.0018830400000000 ] - [ -0.0000817100000000, -0.0000186200000000, 0.0022896700000000 ] - [ 0.0002420200000000, 0.0000291400000000, 0.0026647300000000 ] - [ -0.0000082600000000, 0.0000000000000000, 0.0025838600000000 ] - [ 0.0002420200000000, -0.0000291400000000, 0.0026647300000000 ] - [ -0.0001544700000000, 0.0000000000000000, 0.0024919200000000 ] - [ -0.0001042000000000, 0.0000000000000000, 0.0024226900000000 ] - [ -0.0002499700000000, -0.0004501000000000, 0.0008791000000000 ] - [ -0.0154978100000000, 0.0000000000000000, -0.0416715100000000 ] - [ 0.0001601700000000, 0.0000000000000000, 0.0025180500000000 ] - [ -0.0016094700000000, 0.0000000000000000, 0.0085260200000000 ] - [ -0.0002499700000000, 0.0004501000000000, 0.0008791000000000 ] - [ -0.0011127700000000, 0.0000000000000000, 0.0027984800000000 ] - [ 0.0012081300000000, 0.0001958100000000, -0.0062984900000000 ] - [ 0.0004387300000000, 0.0000000000000000, 0.0004076300000000 ] - [ 0.0038895900000000, -0.0003387000000000, 0.0026956400000000 ] - [ -0.0033750200000000, 0.0000000000000000, -0.0060716700000000 ] - [ 0.0012081300000000, -0.0001958100000000, -0.0062984900000000 ] - [ -0.0025302700000000, 0.0016697400000000, 0.0021071400000000 ] - [ 0.0059105400000000, 0.0000000000000000, -0.0047793800000000 ] - [ 0.0002475600000000, 0.0000000000000000, 0.0017058900000000 ] - [ -0.0000132200000000, 0.0000000000000000, 0.0025394600000000 ] - [ -0.0001955000000000, 0.0000000000000000, 0.0016775000000000 ] - [ -0.0000817100000000, 0.0000186200000000, 0.0022896700000000 ] - [ -0.0001594300000000, 0.0000000000000000, 0.0018361300000000 ] - [ 0.0003066300000000, 0.0000005100000000, 0.0020667300000000 ] - [ 0.0000944300000000, 0.0000129600000000, 0.0025648900000000 ] - [ 0.0000173800000000, 0.0000000000000000, 0.0025124500000000 ] - [ 0.0000944300000000, -0.0000129600000000, 0.0025648900000000 ] - [ -0.0002336100000000, 0.0000000000000000, 0.0023756200000000 ] - [ 0.0002554700000000, 0.0000000000000000, 0.0028531700000000 ] - [ 0.0002419400000000, 0.0000384500000000, 0.0031009200000000 ] - [ 0.0000400900000000, 0.0000000000000000, -0.0089099400000000 ] - [ 0.0003376800000000, 0.0000000000000000, 0.0018918200000000 ] - [ 0.0006314300000000, 0.0000000000000000, -0.0019666100000000 ] - [ 0.0002419400000000, -0.0000384500000000, 0.0031009200000000 ] - [ 0.0021877600000000, 0.0000000000000000, 0.0014516800000000 ] - [ 0.0011293300000000, 0.0085650700000000, -0.0397091700000000 ] - [ -0.0036297400000000, 0.0000000000000000, 0.0042276200000000 ] - [ -0.0025302700000000, -0.0016697400000000, 0.0021071400000000 ] - [ 0.0042351200000000, 0.0000000000000000, -0.0064458800000000 ] - [ 0.0011293300000000, -0.0085650700000000, -0.0397091700000000 ] - [ 0.0038895900000000, 0.0003387000000000, 0.0026956400000000 ] - [ -0.0044598200000000, 0.0000000000000000, -0.0074571100000000 ] - [ -0.0002268400000000, 0.0000000000000000, 0.0034690800000000 ] - [ 0.0001831600000000, 0.0000000000000000, 0.0013928200000000 ] - [ -0.0041998900000000, 0.0000000000000000, -0.0011613800000000 ] - [ 0.0008866700000000, 0.0000000000000000, -0.0017828300000000 ] - [ 0.0021995100000000, 0.0000000000000000, -0.0001494200000000 ] - [ -0.0004571500000000, 0.0000000000000000, 0.0014977200000000 ] - [ 0.0049705500000000, 0.0000000000000000, -0.0000887300000000 ] - [ -0.0017241700000000, 0.0000000000000000, -0.0412145400000000 ] - [ -0.0022137700000000, 0.0000000000000000, 0.0003431000000000 ] - [ -0.0003645100000000, -0.0002982800000000, -0.0014607000000000 ] - [ -0.0001948300000000, 0.0000000000000000, -0.0020996300000000 ] - [ 0.0000144300000000, 0.0002418700000000, -0.0012160900000000 ] - [ 0.0000875900000000, 0.0000000000000000, -0.0021327100000000 ] - [ -0.0003395000000000, 0.0000014300000000, -0.0017813800000000 ] - [ -0.0000429200000000, 0.0000000000000000, -0.0015359800000000 ] - [ -0.0001651200000000, 0.0000000000000000, -0.0021870800000000 ] - [ -0.0001147400000000, 0.0000914600000000, -0.0018184100000000 ] - [ -0.0003918800000000, 0.0000000000000000, -0.0019641400000000 ] - [ -0.0003395000000000, -0.0000014300000000, -0.0017813800000000 ] - [ -0.0000216800000000, 0.0000000000000000, -0.0018499400000000 ] - [ -0.0001147400000000, -0.0000914600000000, -0.0018184100000000 ] - [ -0.0005616900000000, -0.0000374000000000, -0.0019157600000000 ] - [ 0.0001378000000000, 0.0000000000000000, -0.0017217200000000 ] - [ 0.0004683700000000, 0.0000000000000000, -0.0016791600000000 ] - [ -0.0005616900000000, 0.0000374000000000, -0.0019157600000000 ] - [ -0.0002102800000000, -0.0002923400000000, -0.0013692600000000 ] - [ 0.0012465400000000, 0.0000000000000000, -0.0012091400000000 ] - [ -0.0000274100000000, 0.0000000000000000, -0.0015415700000000 ] - [ -0.0003383100000000, 0.0002864100000000, -0.0016124200000000 ] - [ 0.0003008500000000, 0.0003760900000000, 0.0031850700000000 ] - [ -0.0006883700000000, 0.0000000000000000, -0.0032897900000000 ] - [ 0.0002564800000000, 0.0000000000000000, -0.0026462400000000 ] - [ -0.0006996300000000, 0.0000223200000000, -0.0005025800000000 ] - [ 0.0212012000000000, 0.0000000000000000, 0.2130281700000000 ] - [ -0.0099357300000000, 0.0185234500000000, -0.0223244800000000 ] - [ -0.0006996300000000, -0.0000223200000000, -0.0005025800000000 ] - [ -0.0026168400000000, 0.0000000000000000, 0.0028769100000000 ] - [ 0.0011572800000000, 0.0007694800000000, 0.0018654900000000 ] - [ -0.0007860700000000, 0.0000000000000000, 0.0038135600000000 ] - [ -0.0034457700000000, 0.0000000000000000, 0.0034706000000000 ] - [ 0.0010576600000000, 0.0000000000000000, -0.0012448200000000 ] - [ 0.0011981400000000, 0.0000497300000000, 0.0075763300000000 ] - [ 0.0011572800000000, -0.0007694800000000, 0.0018654900000000 ] - [ 0.0068486700000000, 0.0000000000000000, -0.0036505000000000 ] - [ 0.0011981400000000, -0.0000497300000000, 0.0075763300000000 ] - [ 0.0007448700000000, 0.0000000000000000, -0.0002585200000000 ] - [ -0.0018859800000000, 0.0000000000000000, 0.0009019400000000 ] - [ 0.0005944800000000, 0.0001322500000000, -0.0012058600000000 ] - [ -0.0007345800000000, -0.0002449300000000, -0.0001950000000000 ] - [ 0.0000144300000000, -0.0002418700000000, -0.0012160900000000 ] - [ -0.0000610400000000, 0.0000000000000000, -0.0020704200000000 ] - [ -0.0003645100000000, 0.0002982800000000, -0.0014607000000000 ] - [ -0.0000877600000000, 0.0000000000000000, -0.0017844500000000 ] - [ -0.0003242300000000, 0.0000040300000000, -0.0017728900000000 ] - [ -0.0001802200000000, 0.0000000000000000, -0.0015353100000000 ] - [ -0.0002866900000000, 0.0000000000000000, -0.0016753200000000 ] - [ -0.0000865100000000, 0.0000816600000000, -0.0016859200000000 ] - [ -0.0002545600000000, 0.0000000000000000, -0.0019611400000000 ] - [ -0.0003242300000000, -0.0000040300000000, -0.0017728900000000 ] - [ 0.0000263700000000, 0.0000000000000000, -0.0017838500000000 ] - [ -0.0000865100000000, -0.0000816600000000, -0.0016859200000000 ] - [ 0.0004466400000000, -0.0000361000000000, -0.0014948900000000 ] - [ 0.0004084300000000, 0.0000000000000000, -0.0017348000000000 ] - [ 0.0005004900000000, 0.0000000000000000, -0.0016062200000000 ] - [ 0.0004466400000000, 0.0000361000000000, -0.0014948900000000 ] - [ -0.0003383100000000, -0.0002864100000000, -0.0016124200000000 ] - [ -0.0014721600000000, 0.0000000000000000, -0.0030845800000000 ] - [ -0.0001515800000000, 0.0000000000000000, -0.0023329200000000 ] - [ -0.0002102800000000, 0.0002923400000000, -0.0013692600000000 ] - [ -0.0099357300000000, -0.0185234500000000, -0.0223244800000000 ] - [ 0.0006490100000000, 0.0000000000000000, -0.0002166000000000 ] - [ 0.0000497600000000, 0.0000000000000000, -0.0013863700000000 ] - [ 0.0008350800000000, -0.0002471200000000, -0.0033269000000000 ] - [ -0.0012124800000000, 0.0000000000000000, 0.0039871100000000 ] - [ 0.0003008500000000, -0.0003760900000000, 0.0031850700000000 ] - [ 0.0008350800000000, 0.0002471200000000, -0.0033269000000000 ] - [ 0.0206985100000000, 0.0000000000000000, -0.0174574900000000 ] - [ -0.0032128700000000, -0.0043991500000000, -0.0053952500000000 ] - [ 0.0010954500000000, 0.0000000000000000, 0.0108844200000000 ] - [ 0.0034459800000000, 0.0000000000000000, 0.0054446600000000 ] - [ -0.0012501600000000, 0.0000000000000000, -0.0032067600000000 ] - [ -0.0047909000000000, -0.0033369800000000, 0.0079135900000000 ] - [ -0.0032128700000000, 0.0043991500000000, -0.0053952500000000 ] - [ -0.0029484400000000, 0.0000000000000000, 0.0017750200000000 ] - [ -0.0047909000000000, 0.0033369800000000, 0.0079135900000000 ] - [ -0.0005486000000000, 0.0000000000000000, -0.0014739200000000 ] - [ 0.0022110900000000, 0.0000000000000000, 0.0013353500000000 ] - [ -0.0007345800000000, 0.0002449300000000, -0.0001950000000000 ] - [ 0.0005944800000000, -0.0001322500000000, -0.0012058600000000 ]- atom: 84 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0000415400000000, 0.0000000000000000, 0.0003863400000000 ] - [ -0.0001356300000000, 0.0000000000000000, -0.0003659400000000 ] - [ 0.0000719900000000, 0.0000458700000000, 0.0000101200000000 ] - [ -0.0001858000000000, 0.0000000000000000, -0.0003064800000000 ] - [ 0.0000933700000000, -0.0000310400000000, -0.0000884800000000 ] - [ 0.0001221600000000, 0.0000213100000000, 0.0001420600000000 ] - [ -0.0000594600000000, 0.0000000000000000, 0.0000913600000000 ] - [ 0.0001221600000000, -0.0000213100000000, 0.0001420600000000 ] - [ -0.0001222600000000, 0.0000000000000000, 0.0001025700000000 ] - [ -0.0002404600000000, 0.0000000000000000, -0.0006994400000000 ] - [ 0.0002387900000000, -0.0004169700000000, -0.0026584600000000 ] - [ -0.0000686600000000, 0.0000000000000000, -0.0034292600000000 ] - [ -0.0000300800000000, 0.0000000000000000, 0.0003422200000000 ] - [ -0.0053233100000000, 0.0000000000000000, 0.0038823000000000 ] - [ 0.0002387900000000, 0.0004169700000000, -0.0026584600000000 ] - [ -0.0025100700000000, 0.0000000000000000, -0.0001106500000000 ] - [ 0.0347479800000000, -0.0119095200000000, -0.0104537300000000 ] - [ 0.0004576900000000, 0.0000000000000000, 0.0007199400000000 ] - [ -0.0008274700000000, -0.0001126900000000, 0.0011585700000000 ] - [ 0.0063717900000000, 0.0000000000000000, -0.0021432000000000 ] - [ 0.0347479800000000, 0.0119095200000000, -0.0104537300000000 ] - [ 0.0008785400000000, -0.0002750400000000, -0.0003276100000000 ] - [ -0.0011471800000000, 0.0000000000000000, 0.0034420400000000 ] - [ 0.0003356800000000, 0.0000000000000000, 0.0000740200000000 ] - [ 0.0002427900000000, 0.0000000000000000, 0.0002296800000000 ] - [ 0.0000061000000000, 0.0000000000000000, -0.0004131300000000 ] - [ 0.0000933700000000, 0.0000310400000000, -0.0000884800000000 ] - [ -0.0000418800000000, 0.0000000000000000, -0.0004112200000000 ] - [ 0.0000719900000000, -0.0000458700000000, 0.0000101200000000 ] - [ -0.0001725000000000, 0.0000076700000000, -0.0001303300000000 ] - [ -0.0001369100000000, 0.0000000000000000, 0.0000722500000000 ] - [ -0.0001725000000000, -0.0000076700000000, -0.0001303300000000 ] - [ -0.0000743800000000, 0.0000000000000000, 0.0000136100000000 ] - [ 0.0002466400000000, 0.0000000000000000, 0.0007616000000000 ] - [ -0.0013334700000000, -0.0014429100000000, 0.0021907700000000 ] - [ -0.0105182000000000, 0.0000000000000000, 0.0064574200000000 ] - [ 0.0006406000000000, 0.0000000000000000, -0.0007198000000000 ] - [ 0.0259090100000000, 0.0000000000000000, -0.0015828800000000 ] - [ -0.0013334700000000, 0.0014429100000000, 0.0021907700000000 ] - [ 0.0054950900000000, 0.0000000000000000, 0.0005487600000000 ] - [ -0.0080499300000000, -0.0006517500000000, -0.0015476000000000 ] - [ -0.0010044800000000, 0.0000000000000000, -0.0000347200000000 ] - [ 0.0008785400000000, 0.0002750400000000, -0.0003276100000000 ] - [ -0.0033069200000000, 0.0000000000000000, 0.0011943400000000 ] - [ -0.0080499300000000, 0.0006517500000000, -0.0015476000000000 ] - [ -0.0008274700000000, 0.0001126900000000, 0.0011585700000000 ] - [ -0.0023051200000000, 0.0000000000000000, -0.0065974200000000 ] - [ -0.0003223600000000, 0.0000000000000000, -0.0003134000000000 ] - [ 0.0007292300000000, 0.0000000000000000, -0.0002513900000000 ] - [ -0.0041130000000000, 0.0000000000000000, -0.0040469300000000 ] - [ 0.0016030400000000, 0.0000000000000000, 0.0039285500000000 ] - [ 0.0049511300000000, 0.0000000000000000, 0.0022378800000000 ] - [ -0.0009079900000000, 0.0000000000000000, -0.0003045700000000 ] - [ 0.0655190000000000, 0.0000000000000000, -0.0222780100000000 ] - [ -0.0010937000000000, 0.0000000000000000, -0.0004699800000000 ] - [ -0.0040173400000000, 0.0000000000000000, -0.0011141100000000 ] - [ 0.0000253100000000, 0.0000241200000000, 0.0000684900000000 ] - [ -0.0000883200000000, 0.0000000000000000, -0.0002823300000000 ] - [ -0.0000445400000000, -0.0000468100000000, 0.0001439000000000 ] - [ -0.0002995800000000, 0.0000000000000000, -0.0004877000000000 ] - [ -0.0001837900000000, -0.0001255800000000, -0.0003416700000000 ] - [ -0.0002137900000000, 0.0000000000000000, 0.0000330200000000 ] - [ -0.0001679700000000, 0.0000000000000000, 0.0000119600000000 ] - [ -0.0000742800000000, 0.0000055800000000, -0.0001673600000000 ] - [ -0.0006088700000000, 0.0000000000000000, -0.0004236200000000 ] - [ -0.0001837900000000, 0.0001255800000000, -0.0003416700000000 ] - [ -0.0001000700000000, 0.0000000000000000, -0.0002877100000000 ] - [ -0.0000742800000000, -0.0000055800000000, -0.0001673600000000 ] - [ -0.0012244000000000, -0.0003679700000000, -0.0010394700000000 ] - [ -0.0001222200000000, 0.0000000000000000, -0.0001483200000000 ] - [ 0.0002727000000000, 0.0000000000000000, 0.0000394500000000 ] - [ -0.0012244000000000, 0.0003679700000000, -0.0010394700000000 ] - [ 0.0000149200000000, -0.0001162300000000, 0.0003197400000000 ] - [ 0.0011566900000000, 0.0000000000000000, 0.0025202200000000 ] - [ -0.0003311100000000, 0.0000000000000000, 0.0006504100000000 ] - [ -0.0000996800000000, 0.0002003900000000, -0.0002533800000000 ] - [ 0.0280913100000000, 0.0189485900000000, -0.0009811400000000 ] - [ 0.0002893800000000, 0.0000000000000000, -0.0024728500000000 ] - [ 0.0007729200000000, 0.0000000000000000, -0.0009583800000000 ] - [ -0.0036495100000000, 0.0010148700000000, 0.0027187100000000 ] - [ 0.0032341700000000, 0.0000000000000000, 0.0021601200000000 ] - [ 0.0088515200000000, -0.0047734700000000, 0.0004368700000000 ] - [ -0.0036495100000000, -0.0010148700000000, 0.0027187100000000 ] - [ -0.2162834600000000, 0.0000000000000000, 0.0507362300000000 ] - [ -0.0016087200000000, -0.0001388300000000, -0.0001126400000000 ] - [ -0.0040719300000000, 0.0000000000000000, -0.0020266600000000 ] - [ -0.0089722100000000, 0.0000000000000000, 0.0004967600000000 ] - [ -0.0004455800000000, 0.0000000000000000, 0.0004727600000000 ] - [ -0.0020731900000000, 0.0056599300000000, 0.0086562700000000 ] - [ -0.0016087200000000, 0.0001388300000000, -0.0001126400000000 ] - [ -0.0003086100000000, 0.0000000000000000, 0.0026820300000000 ] - [ -0.0020731900000000, -0.0056599300000000, 0.0086562700000000 ] - [ -0.0003463900000000, 0.0000000000000000, 0.0004619800000000 ] - [ 0.0003222400000000, 0.0000000000000000, -0.0009186500000000 ] - [ 0.0002383900000000, 0.0001037500000000, 0.0008458200000000 ] - [ -0.0003139700000000, -0.0001299100000000, 0.0001969000000000 ] - [ -0.0000445400000000, 0.0000468100000000, 0.0001439000000000 ] - [ -0.0001154600000000, 0.0000000000000000, -0.0002389300000000 ] - [ 0.0000253100000000, -0.0000241200000000, 0.0000684900000000 ] - [ -0.0003803500000000, 0.0000000000000000, -0.0005316900000000 ] - [ -0.0000780300000000, -0.0001047500000000, -0.0003273800000000 ] - [ -0.0001759400000000, 0.0000000000000000, -0.0000097600000000 ] - [ -0.0002665200000000, 0.0000000000000000, -0.0001292400000000 ] - [ -0.0000936100000000, 0.0000094600000000, -0.0001578000000000 ] - [ -0.0002768700000000, 0.0000000000000000, -0.0003549500000000 ] - [ -0.0000780300000000, 0.0001047500000000, -0.0003273800000000 ] - [ -0.0000582800000000, 0.0000000000000000, -0.0001700000000000 ] - [ -0.0000936100000000, -0.0000094600000000, -0.0001578000000000 ] - [ 0.0008420100000000, 0.0000551700000000, 0.0006766800000000 ] - [ 0.0004993800000000, 0.0000000000000000, -0.0000039500000000 ] - [ 0.0003049700000000, 0.0000000000000000, 0.0001875400000000 ] - [ 0.0008420100000000, -0.0000551700000000, 0.0006766800000000 ] - [ -0.0000996800000000, -0.0002003900000000, -0.0002533800000000 ] - [ 0.0011889100000000, 0.0000000000000000, -0.0066767500000000 ] - [ 0.0006924000000000, 0.0000000000000000, -0.0017467500000000 ] - [ 0.0000149200000000, 0.0001162300000000, 0.0003197400000000 ] - [ 0.0088515200000000, 0.0047734700000000, 0.0004368700000000 ] - [ 0.0009943400000000, 0.0000000000000000, 0.0033525400000000 ] - [ -0.0003402200000000, 0.0000000000000000, 0.0009273800000000 ] - [ 0.0022961300000000, 0.0002045200000000, -0.0011941600000000 ] - [ 0.0063548700000000, 0.0000000000000000, -0.0216286500000000 ] - [ 0.0280913100000000, -0.0189485900000000, -0.0009811400000000 ] - [ 0.0022961300000000, -0.0002045200000000, -0.0011941600000000 ] - [ 0.0078762900000000, 0.0000000000000000, 0.0000988000000000 ] - [ 0.0011172900000000, 0.0001915000000000, 0.0003223100000000 ] - [ 0.0041211600000000, 0.0000000000000000, 0.0013304700000000 ] - [ 0.0062987400000000, 0.0000000000000000, -0.0003026700000000 ] - [ 0.0003207800000000, 0.0000000000000000, 0.0001464300000000 ] - [ 0.0034767200000000, 0.0003560700000000, -0.0011610600000000 ] - [ 0.0011172900000000, -0.0001915000000000, 0.0003223100000000 ] - [ 0.0010968800000000, 0.0000000000000000, -0.0009983400000000 ] - [ 0.0034767200000000, -0.0003560700000000, -0.0011610600000000 ] - [ 0.0004178400000000, 0.0000000000000000, 0.0001943700000000 ] - [ 0.0003163100000000, 0.0000000000000000, 0.0015131900000000 ] - [ -0.0003139700000000, 0.0001299100000000, 0.0001969000000000 ] - [ 0.0002383900000000, -0.0001037500000000, 0.0008458200000000 ]- atom: 84 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0002476700000000, 0.0000000000000000, 0.0002067000000000 ] - [ 0.0000115700000000, 0.0000000000000000, -0.0004089000000000 ] - [ 0.0000872600000000, 0.0000330700000000, -0.0000795300000000 ] - [ -0.0000427200000000, 0.0000000000000000, -0.0004032200000000 ] - [ 0.0000668700000000, -0.0000479100000000, 0.0000189200000000 ] - [ -0.0001589800000000, -0.0000120800000000, -0.0001255700000000 ] - [ -0.0001387100000000, 0.0000000000000000, 0.0000761600000000 ] - [ -0.0001589800000000, 0.0000120800000000, -0.0001255700000000 ] - [ -0.0000749800000000, 0.0000000000000000, 0.0000218800000000 ] - [ 0.0002290900000000, 0.0000000000000000, 0.0006535400000000 ] - [ -0.0000675600000000, 0.0002692800000000, 0.0019171300000000 ] - [ 0.0002405700000000, 0.0000000000000000, 0.0029557900000000 ] - [ 0.0006352600000000, 0.0000000000000000, -0.0005617100000000 ] - [ 0.0053700300000000, 0.0000000000000000, -0.0045081700000000 ] - [ -0.0000675600000000, -0.0002692800000000, 0.0019171300000000 ] - [ 0.0032099900000000, 0.0000000000000000, -0.0002074600000000 ] - [ -0.0346028400000000, 0.0124299500000000, 0.0107470200000000 ] - [ -0.0007048200000000, 0.0000000000000000, -0.0001273000000000 ] - [ 0.0006068500000000, 0.0003472200000000, -0.0002098400000000 ] - [ -0.0059686600000000, 0.0000000000000000, 0.0032530600000000 ] - [ -0.0346028400000000, -0.0124299500000000, 0.0107470200000000 ] - [ -0.0010946300000000, 0.0000417200000000, 0.0012825700000000 ] - [ 0.0015221900000000, 0.0000000000000000, -0.0026985500000000 ] - [ -0.0002728000000000, 0.0000000000000000, -0.0003208600000000 ] - [ 0.0000461800000000, 0.0000000000000000, 0.0003653500000000 ] - [ -0.0001303600000000, 0.0000000000000000, -0.0003612300000000 ] - [ 0.0000668700000000, 0.0000479100000000, 0.0000189200000000 ] - [ -0.0001863200000000, 0.0000000000000000, -0.0002988600000000 ] - [ 0.0000872600000000, -0.0000330700000000, -0.0000795300000000 ] - [ 0.0001333900000000, 0.0000013800000000, 0.0001464100000000 ] - [ -0.0000617800000000, 0.0000000000000000, 0.0000953700000000 ] - [ 0.0001333900000000, -0.0000013800000000, 0.0001464100000000 ] - [ -0.0001229500000000, 0.0000000000000000, 0.0001107000000000 ] - [ -0.0002493400000000, 0.0000000000000000, -0.0008040200000000 ] - [ 0.0015316900000000, 0.0012936600000000, -0.0029135100000000 ] - [ 0.0105602400000000, 0.0000000000000000, -0.0069269800000000 ] - [ -0.0000344100000000, 0.0000000000000000, 0.0004916100000000 ] - [ -0.0272092700000000, 0.0000000000000000, -0.0004593600000000 ] - [ 0.0015316900000000, -0.0012936600000000, -0.0029135100000000 ] - [ -0.0047520200000000, 0.0000000000000000, -0.0008830700000000 ] - [ 0.0081495100000000, 0.0007342800000000, 0.0015183200000000 ] - [ 0.0007680800000000, 0.0000000000000000, 0.0006218200000000 ] - [ -0.0010946300000000, -0.0000417200000000, 0.0012825700000000 ] - [ 0.0037117200000000, 0.0000000000000000, -0.0001152300000000 ] - [ 0.0081495100000000, -0.0007342800000000, 0.0015183200000000 ] - [ 0.0006068500000000, -0.0003472200000000, -0.0002098400000000 ] - [ 0.0027329300000000, 0.0000000000000000, 0.0073056100000000 ] - [ 0.0003884900000000, 0.0000000000000000, 0.0000655400000000 ] - [ -0.0008926000000000, 0.0000000000000000, -0.0001739400000000 ] - [ 0.0041492500000000, 0.0000000000000000, 0.0040925700000000 ] - [ -0.0013434000000000, 0.0000000000000000, -0.0028821100000000 ] - [ -0.0049412200000000, 0.0000000000000000, -0.0027668600000000 ] - [ 0.0007375700000000, 0.0000000000000000, -0.0001166700000000 ] - [ -0.0617919200000000, 0.0000000000000000, 0.0205673600000000 ] - [ 0.0013647400000000, 0.0000000000000000, 0.0014876900000000 ] - [ 0.0039879800000000, 0.0000000000000000, 0.0006032300000000 ] - [ -0.0000406900000000, 0.0000496600000000, 0.0001468500000000 ] - [ -0.0001152700000000, 0.0000000000000000, -0.0002412200000000 ] - [ 0.0000287800000000, -0.0000267800000000, 0.0000708800000000 ] - [ -0.0003856300000000, 0.0000000000000000, -0.0005361200000000 ] - [ -0.0000777000000000, -0.0001012200000000, -0.0003287200000000 ] - [ -0.0001748100000000, 0.0000000000000000, -0.0000138700000000 ] - [ -0.0002718700000000, 0.0000000000000000, -0.0001443300000000 ] - [ -0.0000953900000000, 0.0000107300000000, -0.0001633600000000 ] - [ -0.0002924900000000, 0.0000000000000000, -0.0003233700000000 ] - [ -0.0000777000000000, 0.0001012200000000, -0.0003287200000000 ] - [ -0.0000654400000000, 0.0000000000000000, -0.0001704700000000 ] - [ -0.0000953900000000, -0.0000107300000000, -0.0001633600000000 ] - [ 0.0011678200000000, 0.0004507000000000, 0.0009183300000000 ] - [ 0.0005156900000000, 0.0000000000000000, -0.0000196000000000 ] - [ 0.0003048200000000, 0.0000000000000000, 0.0001752500000000 ] - [ 0.0011678200000000, -0.0004507000000000, 0.0009183300000000 ] - [ -0.0001187500000000, -0.0001822500000000, -0.0002771900000000 ] - [ -0.0012474300000000, 0.0000000000000000, -0.0024051600000000 ] - [ -0.0000262500000000, 0.0000000000000000, -0.0013308900000000 ] - [ -0.0000067400000000, 0.0000979000000000, 0.0002929600000000 ] - [ -0.0285898700000000, -0.0194150900000000, 0.0013014100000000 ] - [ -0.0000315500000000, 0.0000000000000000, 0.0019745400000000 ] - [ -0.0004315400000000, 0.0000000000000000, 0.0005102700000000 ] - [ 0.0034920300000000, -0.0010632000000000, -0.0036951600000000 ] - [ -0.0030226800000000, 0.0000000000000000, -0.0018221000000000 ] - [ -0.0088271800000000, 0.0048009200000000, -0.0001320600000000 ] - [ 0.0034920300000000, 0.0010632000000000, -0.0036951600000000 ] - [ 0.2143104200000000, 0.0000000000000000, -0.0486997400000000 ] - [ 0.0016505800000000, 0.0004633800000000, 0.0005112900000000 ] - [ 0.0049073700000000, 0.0000000000000000, 0.0023177700000000 ] - [ 0.0090574700000000, 0.0000000000000000, -0.0007642200000000 ] - [ 0.0003571400000000, 0.0000000000000000, 0.0002669300000000 ] - [ 0.0019983000000000, -0.0052775300000000, -0.0077450300000000 ] - [ 0.0016505800000000, -0.0004633800000000, 0.0005112900000000 ] - [ 0.0004392600000000, 0.0000000000000000, -0.0015816000000000 ] - [ 0.0019983000000000, 0.0052775300000000, -0.0077450300000000 ] - [ 0.0004611700000000, 0.0000000000000000, 0.0002119400000000 ] - [ 0.0000857500000000, 0.0000000000000000, 0.0009993800000000 ] - [ -0.0003798800000000, 0.0001449500000000, 0.0001167300000000 ] - [ 0.0001767200000000, -0.0001189500000000, 0.0007663000000000 ] - [ 0.0000287800000000, 0.0000267800000000, 0.0000708800000000 ] - [ -0.0000884900000000, 0.0000000000000000, -0.0002847100000000 ] - [ -0.0000406900000000, -0.0000496600000000, 0.0001468500000000 ] - [ -0.0003042000000000, 0.0000000000000000, -0.0004925200000000 ] - [ -0.0001829700000000, -0.0001218000000000, -0.0003431500000000 ] - [ -0.0002124300000000, 0.0000000000000000, 0.0000288800000000 ] - [ -0.0001725700000000, 0.0000000000000000, -0.0000032100000000 ] - [ -0.0000758200000000, 0.0000067900000000, -0.0001730000000000 ] - [ -0.0006225200000000, 0.0000000000000000, -0.0003928000000000 ] - [ -0.0001829700000000, 0.0001218000000000, -0.0003431500000000 ] - [ -0.0001064600000000, 0.0000000000000000, -0.0002879700000000 ] - [ -0.0000758200000000, -0.0000067900000000, -0.0001730000000000 ] - [ -0.0008855000000000, 0.0000295000000000, -0.0007971600000000 ] - [ -0.0001028500000000, 0.0000000000000000, -0.0001650100000000 ] - [ 0.0002730100000000, 0.0000000000000000, 0.0000275900000000 ] - [ -0.0008855000000000, -0.0000295000000000, -0.0007971600000000 ] - [ -0.0000067400000000, -0.0000979000000000, 0.0002929600000000 ] - [ -0.0012976700000000, 0.0000000000000000, 0.0067638800000000 ] - [ -0.0010573300000000, 0.0000000000000000, 0.0010525000000000 ] - [ -0.0001187500000000, 0.0001822500000000, -0.0002771900000000 ] - [ -0.0088271800000000, -0.0048009200000000, -0.0001320600000000 ] - [ -0.0007172300000000, 0.0000000000000000, -0.0038480400000000 ] - [ 0.0006856700000000, 0.0000000000000000, -0.0013581800000000 ] - [ -0.0024692700000000, -0.0002650000000000, 0.0001656300000000 ] - [ -0.0060635000000000, 0.0000000000000000, 0.0220973700000000 ] - [ -0.0285898700000000, 0.0194150900000000, 0.0013014100000000 ] - [ -0.0024692700000000, 0.0002650000000000, 0.0001656300000000 ] - [ -0.0082603300000000, 0.0000000000000000, -0.0004877400000000 ] - [ -0.0010764100000000, 0.0001342000000000, 0.0000870400000000 ] - [ -0.0033062300000000, 0.0000000000000000, -0.0010176000000000 ] - [ -0.0061601100000000, 0.0000000000000000, 0.0000410900000000 ] - [ -0.0004087000000000, 0.0000000000000000, 0.0005976800000000 ] - [ -0.0034731400000000, 0.0000230100000000, 0.0020882300000000 ] - [ -0.0010764100000000, -0.0001342000000000, 0.0000870400000000 ] - [ -0.0009587300000000, 0.0000000000000000, 0.0021058800000000 ] - [ -0.0034731400000000, -0.0000230100000000, 0.0020882300000000 ] - [ -0.0003030900000000, 0.0000000000000000, 0.0004824700000000 ] - [ 0.0000814000000000, 0.0000000000000000, -0.0014379100000000 ] - [ 0.0001767200000000, 0.0001189500000000, 0.0007663000000000 ] - [ -0.0003798800000000, -0.0001449500000000, 0.0001167300000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001444000000000, -0.0000000800000000, 0.0002940100000000 ] - [ -0.0000623300000000, -0.0000010700000000, -0.0003892500000000 ] - [ 0.0000790800000000, 0.0000400600000000, -0.0000375800000000 ] - [ -0.0001147100000000, -0.0000039500000000, -0.0003571200000000 ] - [ 0.0000805800000000, -0.0000386100000000, -0.0000354000000000 ] - [ -0.0000024700000000, 0.0000050500000000, 0.0000199000000000 ] - [ -0.0000991600000000, 0.0000016200000000, 0.0000813100000000 ] - [ -0.0000351200000000, -0.0000032300000000, -0.0000089400000000 ] - [ -0.0000986100000000, 0.0000001000000000, 0.0000595900000000 ] - [ -0.0000043300000000, 0.0000907600000000, -0.0000250600000000 ] - [ -0.0023359800000000, -0.0001394300000000, -0.0018754000000000 ] - [ 0.0000034600000000, -0.0070864300000000, -0.0002342200000000 ] - [ 0.0003034000000000, -0.0000430500000000, -0.0001121800000000 ] - [ 0.0000200400000000, -0.0021146800000000, -0.0003207400000000 ] - [ 0.0025234400000000, 0.0000053200000000, 0.0011289400000000 ] - [ 0.0003516000000000, -0.0000835200000000, -0.0001637200000000 ] - [ -0.0129093800000000, 0.0343407500000000, 0.0153375500000000 ] - [ -0.0001201800000000, -0.0002006700000000, 0.0002934700000000 ] - [ -0.0000991400000000, 0.0001135700000000, 0.0004976800000000 ] - [ 0.0002113700000000, -0.0035747000000000, 0.0005357300000000 ] - [ 0.0119152700000000, 0.0322458900000000, -0.0135335500000000 ] - [ 0.0000211700000000, -0.0001212100000000, 0.0006310500000000 ] - [ 0.0002005600000000, -0.0006722700000000, 0.0003796000000000 ] - [ 0.0000328700000000, 0.0000347900000000, -0.0001253300000000 ] - [ 0.0001447700000000, 0.0000019700000000, 0.0002935000000000 ] - [ -0.0000620400000000, -0.0000014000000000, -0.0003893100000000 ] - [ 0.0000793100000000, 0.0000400600000000, -0.0000383600000000 ] - [ -0.0001147000000000, -0.0000025400000000, -0.0003571700000000 ] - [ 0.0000806000000000, -0.0000387200000000, -0.0000356600000000 ] - [ -0.0000010500000000, 0.0000043100000000, 0.0000174900000000 ] - [ -0.0000991600000000, 0.0000021900000000, 0.0000813500000000 ] - [ -0.0000371000000000, -0.0000039000000000, -0.0000064200000000 ] - [ -0.0000985400000000, -0.0000011400000000, 0.0000595200000000 ] - [ -0.0000030200000000, 0.0002480800000000, -0.0000251300000000 ] - [ -0.0000600900000000, -0.0000161000000000, -0.0003087900000000 ] - [ 0.0000228600000000, 0.0078566700000000, -0.0002189900000000 ] - [ 0.0003032200000000, -0.0001048100000000, -0.0001135600000000 ] - [ 0.0000338900000000, 0.0223206700000000, -0.0003004300000000 ] - [ 0.0002604400000000, 0.0001141000000000, -0.0004281400000000 ] - [ 0.0003534200000000, 0.0039489700000000, -0.0001760400000000 ] - [ 0.0007134700000000, 0.0001845400000000, 0.0008205900000000 ] - [ -0.0001231700000000, 0.0000168900000000, 0.0002924800000000 ] - [ -0.0002352600000000, 0.0001133400000000, 0.0003129900000000 ] - [ 0.0002004000000000, 0.0004655500000000, 0.0005452300000000 ] - [ -0.0006105300000000, 0.0000991500000000, -0.0008187000000000 ] - [ -0.0001211800000000, -0.0001185500000000, 0.0004525400000000 ] - [ 0.0001939100000000, 0.0047194500000000, 0.0003758000000000 ] - [ 0.0000314900000000, 0.0000238500000000, -0.0001259600000000 ] - [ -0.0000831100000000, -0.0002433600000000, -0.0002134100000000 ] - [ 0.0000294100000000, -0.0052722100000000, 0.0000170400000000 ] - [ 0.0001364200000000, 0.0000650800000000, 0.0005238000000000 ] - [ -0.0000030400000000, -0.0079707800000000, -0.0002097900000000 ] - [ -0.0000838500000000, -0.0000067100000000, -0.0002129700000000 ] - [ -0.0001758500000000, 0.0069570200000000, 0.0001179000000000 ] - [ 0.0001294700000000, -0.0002481300000000, 0.0005100000000000 ] - [ -0.0000123900000000, 0.0006014000000000, -0.0002569400000000 ] - [ -0.0000089100000000, 0.0000379200000000, 0.0001091900000000 ] - [ -0.0001019400000000, 0.0000006600000000, -0.0002606100000000 ] - [ -0.0000072400000000, -0.0000367700000000, 0.0001058100000000 ] - [ -0.0003430100000000, 0.0000029400000000, -0.0005116700000000 ] - [ -0.0001306200000000, -0.0001131600000000, -0.0003318900000000 ] - [ -0.0001945900000000, -0.0000000700000000, 0.0000102700000000 ] - [ -0.0002196800000000, -0.0000038200000000, -0.0000647200000000 ] - [ -0.0000846600000000, 0.0000081700000000, -0.0001634600000000 ] - [ -0.0004510000000000, 0.0000144200000000, -0.0003706400000000 ] - [ -0.0001291000000000, 0.0001131400000000, -0.0003361900000000 ] - [ -0.0000823600000000, 0.0000040100000000, -0.0002282400000000 ] - [ -0.0000843600000000, -0.0000077300000000, -0.0001656500000000 ] - [ -0.0004732800000000, -0.0001103100000000, 0.0002764000000000 ] - [ 0.0001969500000000, -0.0000177500000000, -0.0000807700000000 ] - [ 0.0002885600000000, -0.0000037700000000, 0.0001101600000000 ] - [ 0.0004235300000000, -0.0001973600000000, -0.0003878900000000 ] - [ -0.0000182700000000, -0.0001462100000000, 0.0000833200000000 ] - [ -0.0000491300000000, 0.0010891700000000, 0.0000638200000000 ] - [ -0.0001801400000000, 0.0009184400000000, -0.0003392300000000 ] - [ -0.0000269800000000, 0.0001626900000000, -0.0000295300000000 ] - [ 0.0227117800000000, 0.0058056200000000, -0.0015325800000000 ] - [ 0.0001369300000000, 0.0009509100000000, -0.0002523600000000 ] - [ 0.0001713400000000, 0.0000569600000000, -0.0002219400000000 ] - [ 0.0036795300000000, 0.0009690300000000, 0.0088187500000000 ] - [ 0.0001141800000000, 0.0011416800000000, 0.0001564400000000 ] - [ -0.0043940700000000, 0.0021044800000000, 0.0000021900000000 ] - [ -0.0038667000000000, 0.0009923900000000, -0.0098696300000000 ] - [ 0.0012119000000000, -0.1478497200000000, -0.0021791900000000 ] - [ -0.0002627000000000, 0.0002874000000000, 0.0005511500000000 ] - [ 0.0003908100000000, 0.0021624900000000, 0.0001583600000000 ] - [ 0.0000785900000000, 0.0402343200000000, -0.0001010500000000 ] - [ -0.0000449600000000, 0.0000275300000000, 0.0003729300000000 ] - [ 0.0026479800000000, 0.0048900000000000, 0.0078507700000000 ] - [ 0.0002973600000000, -0.0000351400000000, -0.0001458400000000 ] - [ 0.0000660400000000, 0.0009207400000000, 0.0005584300000000 ] - [ -0.0026288200000000, 0.0045277000000000, -0.0068533200000000 ] - [ 0.0000561900000000, -0.0000342300000000, 0.0003387600000000 ] - [ 0.0002010500000000, 0.0000614000000000, 0.0000406900000000 ] - [ -0.0000246400000000, 0.0001262900000000, 0.0005237900000000 ] - [ -0.0000316000000000, -0.0001347000000000, 0.0004492400000000 ] - [ -0.0000079200000000, 0.0000381600000000, 0.0001098800000000 ] - [ -0.0001020000000000, 0.0000007500000000, -0.0002605700000000 ] - [ -0.0000059800000000, -0.0000369300000000, 0.0001061400000000 ] - [ -0.0003432000000000, 0.0000018900000000, -0.0005117300000000 ] - [ -0.0001314700000000, -0.0001132400000000, -0.0003320700000000 ] - [ -0.0001946200000000, -0.0000000600000000, 0.0000101800000000 ] - [ -0.0002198400000000, -0.0000023300000000, -0.0000649100000000 ] - [ -0.0000847100000000, 0.0000081000000000, -0.0001634700000000 ] - [ -0.0004508400000000, 0.0000067100000000, -0.0003707700000000 ] - [ -0.0001281300000000, 0.0001129000000000, -0.0003360800000000 ] - [ -0.0000821900000000, 0.0000049700000000, -0.0002282500000000 ] - [ -0.0000844400000000, -0.0000077700000000, -0.0001657200000000 ] - [ 0.0000106100000000, 0.0000513600000000, -0.0000379000000000 ] - [ 0.0001973100000000, -0.0000037800000000, -0.0000809200000000 ] - [ 0.0002886000000000, -0.0000056200000000, 0.0001102000000000 ] - [ -0.0000574400000000, -0.0000330000000000, -0.0000753600000000 ] - [ -0.0000780400000000, -0.0001337300000000, 0.0000766000000000 ] - [ -0.0000637600000000, -0.0020367100000000, 0.0000764600000000 ] - [ -0.0001843300000000, -0.0000621900000000, -0.0003395600000000 ] - [ -0.0000859000000000, 0.0001503900000000, -0.0000356000000000 ] - [ 0.0044032800000000, 0.0020101500000000, 0.0002985300000000 ] - [ 0.0001370700000000, -0.0019297200000000, -0.0002411000000000 ] - [ 0.0001705400000000, -0.0012850600000000, -0.0002200700000000 ] - [ -0.0000482700000000, 0.0000461700000000, -0.0008094500000000 ] - [ 0.0001627800000000, -0.0064794700000000, 0.0000796600000000 ] - [ -0.0229163600000000, 0.0058272800000000, 0.0018461200000000 ] - [ -0.0001277300000000, 0.0001100700000000, -0.0002126000000000 ] - [ -0.0001881400000000, 0.0019427600000000, -0.0001991300000000 ] - [ 0.0000620800000000, 0.0001314500000000, 0.0001121800000000 ] - [ 0.0004121000000000, -0.0007231400000000, 0.0001474000000000 ] - [ 0.0000651700000000, -0.0019047900000000, -0.0001354300000000 ] - [ -0.0000433500000000, -0.0000119400000000, 0.0003720100000000 ] - [ 0.0005461200000000, -0.0000024000000000, -0.0004782700000000 ] - [ -0.0000171800000000, -0.0001950300000000, 0.0002933800000000 ] - [ 0.0000700100000000, -0.0000568900000000, 0.0005499500000000 ] - [ -0.0005471800000000, -0.0003801600000000, 0.0013924200000000 ] - [ 0.0000575300000000, 0.0000110100000000, 0.0003382100000000 ] - [ 0.0002024200000000, -0.0005114000000000, 0.0000448400000000 ] - [ -0.0001083300000000, 0.0001134700000000, 0.0005139800000000 ] - [ -0.0001130100000000, -0.0001219200000000, 0.0004419500000000 ]- atom: 84 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0001064400000000, 0.0000000000000000, -0.0021069300000000 ] - [ -0.0000581500000000, 0.0000000000000000, -0.0025717000000000 ] - [ 0.0001215800000000, 0.0000573000000000, -0.0022721600000000 ] - [ -0.0000393800000000, 0.0000000000000000, -0.0025424300000000 ] - [ 0.0000023700000000, -0.0000500500000000, -0.0023021600000000 ] - [ -0.0000244700000000, -0.0000037300000000, -0.0026650900000000 ] - [ -0.0001929000000000, 0.0000000000000000, -0.0024382700000000 ] - [ -0.0000244700000000, 0.0000037300000000, -0.0026650900000000 ] - [ 0.0000107700000000, 0.0000000000000000, -0.0023190600000000 ] - [ -0.0014232600000000, 0.0000000000000000, -0.0026245600000000 ] - [ -0.0057803000000000, -0.0000826500000000, -0.0028668500000000 ] - [ -0.0044487000000000, 0.0000000000000000, 0.0105157800000000 ] - [ 0.0005357200000000, 0.0000000000000000, -0.0016414300000000 ] - [ 0.0004203400000000, 0.0000000000000000, 0.0068854200000000 ] - [ -0.0057803000000000, 0.0000826500000000, -0.0028668500000000 ] - [ -0.0011595000000000, 0.0000000000000000, 0.0003364900000000 ] - [ -0.0032302900000000, 0.0120832000000000, 0.0382893900000000 ] - [ 0.0010747100000000, 0.0000000000000000, -0.0021905400000000 ] - [ 0.0003095400000000, 0.0003719600000000, -0.0011413200000000 ] - [ 0.0045914600000000, 0.0000000000000000, -0.0039875700000000 ] - [ -0.0032302900000000, -0.0120832000000000, 0.0382893900000000 ] - [ -0.0002614700000000, -0.0005099100000000, -0.0025982900000000 ] - [ 0.0026045600000000, 0.0000000000000000, 0.0017795800000000 ] - [ 0.0003387400000000, 0.0000000000000000, -0.0028897400000000 ] - [ 0.0001767800000000, 0.0000000000000000, -0.0025317500000000 ] - [ -0.0000147300000000, 0.0000000000000000, -0.0026749200000000 ] - [ 0.0000023700000000, 0.0000500500000000, -0.0023021600000000 ] - [ -0.0000906700000000, 0.0000000000000000, -0.0026453700000000 ] - [ 0.0001215800000000, -0.0000573000000000, -0.0022721600000000 ] - [ -0.0004355800000000, -0.0000549300000000, -0.0025844100000000 ] - [ -0.0002213700000000, 0.0000000000000000, -0.0023851100000000 ] - [ -0.0004355800000000, 0.0000549300000000, -0.0025844100000000 ] - [ -0.0000160700000000, 0.0000000000000000, -0.0023586100000000 ] - [ 0.0005953200000000, 0.0000000000000000, -0.0028036600000000 ] - [ 0.0025685400000000, 0.0019878200000000, -0.0009241400000000 ] - [ 0.0046274900000000, 0.0000000000000000, 0.0119295100000000 ] - [ 0.0002684300000000, 0.0000000000000000, -0.0033076700000000 ] - [ -0.0030264000000000, 0.0000000000000000, 0.0235331900000000 ] - [ 0.0025685400000000, -0.0019878200000000, -0.0009241400000000 ] - [ 0.0038597100000000, 0.0000000000000000, -0.0071518300000000 ] - [ -0.0011600400000000, 0.0002048900000000, 0.0052405900000000 ] - [ -0.0012497800000000, 0.0000000000000000, -0.0013954200000000 ] - [ -0.0002614700000000, 0.0005099100000000, -0.0025982900000000 ] - [ 0.0005928600000000, 0.0000000000000000, 0.0011170500000000 ] - [ -0.0011600400000000, -0.0002048900000000, 0.0052405900000000 ] - [ 0.0003095400000000, -0.0003719600000000, -0.0011413200000000 ] - [ -0.0074451200000000, 0.0000000000000000, -0.0048972900000000 ] - [ -0.0003774100000000, 0.0000000000000000, -0.0026929100000000 ] - [ 0.0006452000000000, 0.0000000000000000, -0.0025036200000000 ] - [ -0.0017941400000000, 0.0000000000000000, 0.0037958400000000 ] - [ 0.0006497300000000, 0.0000000000000000, -0.0040646700000000 ] - [ 0.0030014900000000, 0.0000000000000000, 0.0038050100000000 ] - [ -0.0002317600000000, 0.0000000000000000, -0.0013220500000000 ] - [ -0.0130934700000000, 0.0000000000000000, 0.0182467100000000 ] - [ -0.0014632400000000, 0.0000000000000000, 0.0000737300000000 ] - [ -0.0010125700000000, 0.0000000000000000, 0.0030095500000000 ] - [ 0.0001133700000000, 0.0003106100000000, 0.0014788200000000 ] - [ -0.0001038700000000, 0.0000000000000000, 0.0015465400000000 ] - [ 0.0001813500000000, -0.0003456900000000, 0.0016177400000000 ] - [ -0.0006047000000000, 0.0000000000000000, 0.0009143800000000 ] - [ 0.0000715000000000, -0.0002338200000000, 0.0011637700000000 ] - [ -0.0002592100000000, 0.0000000000000000, 0.0015975900000000 ] - [ -0.0001469900000000, 0.0000000000000000, 0.0018647400000000 ] - [ -0.0000612300000000, -0.0000769200000000, 0.0014388100000000 ] - [ -0.0007284600000000, 0.0000000000000000, 0.0013743100000000 ] - [ 0.0000715000000000, 0.0002338200000000, 0.0011637700000000 ] - [ -0.0002272700000000, 0.0000000000000000, 0.0013790200000000 ] - [ -0.0000612300000000, 0.0000769200000000, 0.0014388100000000 ] - [ -0.0012614100000000, 0.0003073100000000, 0.0018797600000000 ] - [ -0.0000928400000000, 0.0000000000000000, 0.0017591800000000 ] - [ 0.0000472700000000, 0.0000000000000000, 0.0018722500000000 ] - [ -0.0012614100000000, -0.0003073100000000, 0.0018797600000000 ] - [ 0.0005481100000000, -0.0000459900000000, 0.0017769000000000 ] - [ 0.0027692300000000, 0.0000000000000000, -0.0009825700000000 ] - [ 0.0016755400000000, 0.0000000000000000, 0.0027557000000000 ] - [ -0.0001091100000000, -0.0000740400000000, 0.0013885700000000 ] - [ 0.0060447900000000, 0.0028724700000000, -0.0121460800000000 ] - [ -0.0018874100000000, 0.0000000000000000, -0.0022290300000000 ] - [ -0.0002010400000000, 0.0000000000000000, -0.0000769800000000 ] - [ 0.0066322100000000, 0.0066373100000000, 0.0116831300000000 ] - [ 0.0024035100000000, 0.0000000000000000, -0.0029046600000000 ] - [ 0.0011137300000000, -0.0005087700000000, -0.0059393400000000 ] - [ 0.0066322100000000, -0.0066373100000000, 0.0116831300000000 ] - [ 0.0196599700000000, 0.0000000000000000, -0.1460258300000000 ] - [ -0.0005456900000000, 0.0005547400000000, 0.0024896700000000 ] - [ -0.0024215500000000, 0.0000000000000000, -0.0025474800000000 ] - [ -0.0015570700000000, 0.0000000000000000, -0.0111437800000000 ] - [ -0.0001146700000000, 0.0000000000000000, 0.0028591600000000 ] - [ 0.0047353000000000, 0.0106972300000000, 0.0094870800000000 ] - [ -0.0005456900000000, -0.0005547400000000, 0.0024896700000000 ] - [ 0.0008140000000000, 0.0000000000000000, 0.0039721600000000 ] - [ 0.0047353000000000, -0.0106972300000000, 0.0094870800000000 ] - [ -0.0003449800000000, 0.0000000000000000, 0.0019787300000000 ] - [ -0.0004881300000000, 0.0000000000000000, 0.0006559400000000 ] - [ 0.0005922600000000, -0.0001063400000000, 0.0020424100000000 ] - [ -0.0003028500000000, 0.0001175900000000, 0.0018096400000000 ] - [ 0.0001813500000000, 0.0003456900000000, 0.0016177400000000 ] - [ -0.0000517400000000, 0.0000000000000000, 0.0016034700000000 ] - [ 0.0001133700000000, -0.0003106100000000, 0.0014788200000000 ] - [ -0.0007307600000000, 0.0000000000000000, 0.0009762900000000 ] - [ 0.0000688400000000, -0.0002248100000000, 0.0010767300000000 ] - [ -0.0003078600000000, 0.0000000000000000, 0.0015533600000000 ] - [ -0.0002704000000000, 0.0000000000000000, 0.0018920800000000 ] - [ -0.0000687800000000, -0.0000728800000000, 0.0014532500000000 ] - [ -0.0004471200000000, 0.0000000000000000, 0.0010843800000000 ] - [ 0.0000688400000000, 0.0002248100000000, 0.0010767300000000 ] - [ -0.0001030600000000, 0.0000000000000000, 0.0013900800000000 ] - [ -0.0000687800000000, 0.0000728800000000, 0.0014532500000000 ] - [ 0.0009600100000000, 0.0000291400000000, 0.0005924700000000 ] - [ 0.0003237600000000, 0.0000000000000000, 0.0012744700000000 ] - [ 0.0001449300000000, 0.0000000000000000, 0.0018835800000000 ] - [ 0.0009600100000000, -0.0000291400000000, 0.0005924700000000 ] - [ -0.0001091100000000, 0.0000740400000000, 0.0013885700000000 ] - [ -0.0057152700000000, 0.0000000000000000, 0.0033473600000000 ] - [ -0.0014571300000000, 0.0000000000000000, 0.0009500600000000 ] - [ 0.0005481100000000, 0.0000459900000000, 0.0017769000000000 ] - [ 0.0011137300000000, 0.0005087700000000, -0.0059393400000000 ] - [ 0.0039796500000000, 0.0000000000000000, -0.0014821600000000 ] - [ 0.0013030700000000, 0.0000000000000000, 0.0032119200000000 ] - [ -0.0004040200000000, -0.0002716600000000, -0.0026717100000000 ] - [ -0.0253135200000000, 0.0000000000000000, 0.0181060800000000 ] - [ 0.0060447900000000, -0.0028724700000000, -0.0121460800000000 ] - [ -0.0004040200000000, 0.0002716600000000, -0.0026717100000000 ] - [ 0.0012538900000000, 0.0000000000000000, -0.0037904200000000 ] - [ 0.0002413400000000, 0.0000421400000000, 0.0005505400000000 ] - [ 0.0029950300000000, 0.0000000000000000, -0.0017272000000000 ] - [ 0.0011339400000000, 0.0000000000000000, -0.0038319400000000 ] - [ -0.0001304700000000, 0.0000000000000000, 0.0020054400000000 ] - [ -0.0013549100000000, -0.0005203000000000, -0.0022633300000000 ] - [ 0.0002413400000000, -0.0000421400000000, 0.0005505400000000 ] - [ -0.0011654200000000, 0.0000000000000000, 0.0020089700000000 ] - [ -0.0013549100000000, 0.0005203000000000, -0.0022633300000000 ] - [ -0.0001751600000000, 0.0000000000000000, 0.0013781500000000 ] - [ 0.0011918900000000, 0.0000000000000000, 0.0023970800000000 ] - [ -0.0003028500000000, -0.0001175900000000, 0.0018096400000000 ] - [ 0.0005922600000000, 0.0001063400000000, 0.0020424100000000 ]- atom: 84 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0001822100000000, 0.0000000000000000, 0.0027005700000000 ] - [ -0.0000665100000000, 0.0000000000000000, 0.0017962400000000 ] - [ 0.0000383100000000, 0.0000215300000000, 0.0022015700000000 ] - [ -0.0001896400000000, 0.0000000000000000, 0.0018324000000000 ] - [ 0.0001573200000000, -0.0000287500000000, 0.0022313800000000 ] - [ -0.0000143700000000, 0.0000120900000000, 0.0026816600000000 ] - [ -0.0000057700000000, 0.0000000000000000, 0.0026057800000000 ] - [ -0.0000143700000000, -0.0000120900000000, 0.0026816600000000 ] - [ -0.0002082500000000, 0.0000000000000000, 0.0024427300000000 ] - [ 0.0014254300000000, 0.0000000000000000, 0.0025794700000000 ] - [ 0.0060123600000000, -0.0000676100000000, 0.0021254800000000 ] - [ 0.0045585700000000, 0.0000000000000000, -0.0108407000000000 ] - [ 0.0000685200000000, 0.0000000000000000, 0.0014145200000000 ] - [ -0.0003643700000000, 0.0000000000000000, -0.0075942300000000 ] - [ 0.0060123600000000, 0.0000676100000000, 0.0021254800000000 ] - [ 0.0018729500000000, 0.0000000000000000, -0.0006791300000000 ] - [ 0.0027918300000000, -0.0110009300000000, -0.0377222100000000 ] - [ -0.0013124500000000, 0.0000000000000000, 0.0027806000000000 ] - [ -0.0005259500000000, -0.0001361300000000, 0.0020948700000000 ] - [ -0.0041423300000000, 0.0000000000000000, 0.0050739700000000 ] - [ 0.0027918300000000, 0.0110009300000000, -0.0377222100000000 ] - [ 0.0000453300000000, 0.0002731600000000, 0.0035445200000000 ] - [ -0.0022081600000000, 0.0000000000000000, -0.0009974400000000 ] - [ -0.0002731200000000, 0.0000000000000000, 0.0026398500000000 ] - [ 0.0001124000000000, 0.0000000000000000, 0.0031235300000000 ] - [ -0.0001094300000000, 0.0000000000000000, 0.0018990500000000 ] - [ 0.0001573200000000, 0.0000287500000000, 0.0022313800000000 ] - [ -0.0001379700000000, 0.0000000000000000, 0.0019358700000000 ] - [ 0.0000383100000000, -0.0000215300000000, 0.0022015700000000 ] - [ 0.0003990300000000, 0.0000635500000000, 0.0026002500000000 ] - [ 0.0000231200000000, 0.0000000000000000, 0.0025521300000000 ] - [ 0.0003990300000000, -0.0000635500000000, 0.0026002500000000 ] - [ -0.0001810600000000, 0.0000000000000000, 0.0024820500000000 ] - [ -0.0006049600000000, 0.0000000000000000, 0.0027605700000000 ] - [ -0.0023851500000000, -0.0021454800000000, 0.0001777200000000 ] - [ -0.0045509200000000, 0.0000000000000000, -0.0122618100000000 ] - [ 0.0003381500000000, 0.0000000000000000, 0.0030892800000000 ] - [ 0.0015296800000000, 0.0000000000000000, -0.0255478700000000 ] - [ -0.0023851500000000, 0.0021454800000000, 0.0001777200000000 ] - [ -0.0031712700000000, 0.0000000000000000, 0.0068567700000000 ] - [ 0.0012767900000000, -0.0001182200000000, -0.0052018100000000 ] - [ 0.0010019900000000, 0.0000000000000000, 0.0019869800000000 ] - [ 0.0000453300000000, -0.0002731600000000, 0.0035445200000000 ] - [ -0.0001778800000000, 0.0000000000000000, -0.0000098300000000 ] - [ 0.0012767900000000, 0.0001182200000000, -0.0052018100000000 ] - [ -0.0005259500000000, 0.0001361300000000, 0.0020948700000000 ] - [ 0.0077974600000000, 0.0000000000000000, 0.0056332800000000 ] - [ 0.0004396600000000, 0.0000000000000000, 0.0024434500000000 ] - [ -0.0008172800000000, 0.0000000000000000, 0.0020865400000000 ] - [ 0.0018412600000000, 0.0000000000000000, -0.0038065400000000 ] - [ -0.0003845600000000, 0.0000000000000000, 0.0050884900000000 ] - [ -0.0030354400000000, 0.0000000000000000, -0.0043783300000000 ] - [ 0.0000645600000000, 0.0000000000000000, 0.0008966100000000 ] - [ 0.0130943900000000, 0.0000000000000000, -0.0180492800000000 ] - [ 0.0017175600000000, 0.0000000000000000, 0.0009557300000000 ] - [ 0.0009882400000000, 0.0000000000000000, -0.0035557800000000 ] - [ -0.0001290200000000, -0.0002368000000000, -0.0012636300000000 ] - [ -0.0001000300000000, 0.0000000000000000, -0.0020703100000000 ] - [ -0.0001969200000000, 0.0002717900000000, -0.0014019400000000 ] - [ -0.0000799700000000, 0.0000000000000000, -0.0019379000000000 ] - [ -0.0003337300000000, 0.0000074200000000, -0.0018345300000000 ] - [ -0.0001302600000000, 0.0000000000000000, -0.0015781100000000 ] - [ -0.0002921800000000, 0.0000000000000000, -0.0019959500000000 ] - [ -0.0001077200000000, 0.0000926600000000, -0.0017692700000000 ] - [ -0.0001754100000000, 0.0000000000000000, -0.0021210200000000 ] - [ -0.0003337300000000, -0.0000074200000000, -0.0018345300000000 ] - [ 0.0000635200000000, 0.0000000000000000, -0.0018387800000000 ] - [ -0.0001077200000000, -0.0000926600000000, -0.0017692700000000 ] - [ 0.0012205200000000, -0.0002230800000000, -0.0019994100000000 ] - [ 0.0004886200000000, 0.0000000000000000, -0.0019285400000000 ] - [ 0.0005315500000000, 0.0000000000000000, -0.0016566600000000 ] - [ 0.0012205200000000, 0.0002230800000000, -0.0019994100000000 ] - [ -0.0006551100000000, -0.0002519700000000, -0.0017368000000000 ] - [ -0.0028896900000000, 0.0000000000000000, 0.0011307600000000 ] - [ -0.0020530400000000, 0.0000000000000000, -0.0034564300000000 ] - [ 0.0000059600000000, 0.0003725000000000, -0.0013464500000000 ] - [ -0.0059257900000000, -0.0028819600000000, 0.0124768200000000 ] - [ 0.0021626800000000, 0.0000000000000000, 0.0017597900000000 ] - [ 0.0005451000000000, 0.0000000000000000, -0.0003558700000000 ] - [ -0.0068976800000000, -0.0068192100000000, -0.0128902000000000 ] - [ -0.0021733300000000, 0.0000000000000000, 0.0031950100000000 ] - [ -0.0011903900000000, 0.0006096400000000, 0.0062373000000000 ] - [ -0.0068976800000000, 0.0068192100000000, -0.0128902000000000 ] - [ -0.0172021500000000, 0.0000000000000000, 0.1455189300000000 ] - [ 0.0005814100000000, -0.0002289200000000, -0.0020864400000000 ] - [ 0.0032252900000000, 0.0000000000000000, 0.0028062000000000 ] - [ 0.0016830000000000, 0.0000000000000000, 0.0108433300000000 ] - [ 0.0000250200000000, 0.0000000000000000, -0.0021143100000000 ] - [ -0.0046741100000000, -0.0101557700000000, -0.0084399400000000 ] - [ 0.0005814100000000, 0.0002289200000000, -0.0020864400000000 ] - [ -0.0006763700000000, 0.0000000000000000, -0.0028499500000000 ] - [ -0.0046741100000000, 0.0101557700000000, -0.0084399400000000 ] - [ 0.0004578500000000, 0.0000000000000000, -0.0013022700000000 ] - [ 0.0008898200000000, 0.0000000000000000, -0.0005835800000000 ] - [ -0.0007286400000000, 0.0003548300000000, -0.0010782000000000 ] - [ 0.0001625700000000, -0.0003660100000000, -0.0008471400000000 ] - [ -0.0001969200000000, -0.0002717900000000, -0.0014019400000000 ] - [ -0.0001522600000000, 0.0000000000000000, -0.0021272900000000 ] - [ -0.0001290200000000, 0.0002368000000000, -0.0012636300000000 ] - [ 0.0000455400000000, 0.0000000000000000, -0.0019995900000000 ] - [ -0.0003309600000000, -0.0000015500000000, -0.0017469900000000 ] - [ -0.0000816600000000, 0.0000000000000000, -0.0015339200000000 ] - [ -0.0001692200000000, 0.0000000000000000, -0.0020230400000000 ] - [ -0.0001004100000000, 0.0000885500000000, -0.0017836000000000 ] - [ -0.0004583100000000, 0.0000000000000000, -0.0018291100000000 ] - [ -0.0003309600000000, 0.0000015500000000, -0.0017469900000000 ] - [ -0.0000613700000000, 0.0000000000000000, -0.0018498100000000 ] - [ -0.0001004100000000, -0.0000885500000000, -0.0017836000000000 ] - [ -0.0010138100000000, 0.0000561800000000, -0.0007031300000000 ] - [ 0.0000699900000000, 0.0000000000000000, -0.0014405600000000 ] - [ 0.0004332500000000, 0.0000000000000000, -0.0016678500000000 ] - [ -0.0010138100000000, -0.0000561800000000, -0.0007031300000000 ] - [ 0.0000059600000000, -0.0003725000000000, -0.0013464500000000 ] - [ 0.0056684300000000, 0.0000000000000000, -0.0032487600000000 ] - [ 0.0010994300000000, 0.0000000000000000, -0.0016373200000000 ] - [ -0.0006551100000000, 0.0002519700000000, -0.0017368000000000 ] - [ -0.0011903900000000, -0.0006096400000000, 0.0062373000000000 ] - [ -0.0037390900000000, 0.0000000000000000, 0.0010190800000000 ] - [ -0.0009689300000000, 0.0000000000000000, -0.0036603000000000 ] - [ 0.0002294600000000, 0.0002107500000000, 0.0016707400000000 ] - [ 0.0251547300000000, 0.0000000000000000, -0.0175496700000000 ] - [ -0.0059257900000000, 0.0028819600000000, 0.0124768200000000 ] - [ 0.0002294600000000, -0.0002107500000000, 0.0016707400000000 ] - [ -0.0016371300000000, 0.0000000000000000, 0.0033922200000000 ] - [ -0.0001992700000000, 0.0002825400000000, -0.0001531800000000 ] - [ -0.0021694900000000, 0.0000000000000000, 0.0020037000000000 ] - [ -0.0009922400000000, 0.0000000000000000, 0.0035533900000000 ] - [ 0.0000418700000000, 0.0000000000000000, -0.0012639500000000 ] - [ 0.0013396000000000, 0.0008860900000000, 0.0031544600000000 ] - [ -0.0001992700000000, -0.0002825400000000, -0.0001531800000000 ] - [ 0.0012942600000000, 0.0000000000000000, -0.0009021000000000 ] - [ 0.0013396000000000, -0.0008860900000000, 0.0031544600000000 ] - [ 0.0002896200000000, 0.0000000000000000, -0.0007042500000000 ] - [ -0.0007851200000000, 0.0000000000000000, -0.0023145500000000 ] - [ 0.0001625700000000, 0.0003660100000000, -0.0008471400000000 ] - [ -0.0007286400000000, -0.0003548300000000, -0.0010782000000000 ]- atom: 85 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0018032400000000, -0.0004162200000000, 0.0012589700000000 ] - [ -0.0010996300000000, 0.0002356400000000, 0.0000365400000000 ] - [ 0.0005028300000000, 0.0002059400000000, 0.0011329300000000 ] - [ -0.0001587700000000, -0.0000022300000000, -0.0001710900000000 ] - [ -0.0003236900000000, -0.0000017100000000, -0.0007105200000000 ] - [ -0.0000637200000000, 0.0000036500000000, -0.0000008700000000 ] - [ -0.0002671800000000, 0.0000194900000000, -0.0000164100000000 ] - [ -0.0000661500000000, -0.0000033300000000, -0.0000027300000000 ] - [ -0.0004127900000000, -0.0000372300000000, 0.0001986800000000 ] - [ 0.0000104000000000, -0.0000006100000000, -0.0000632300000000 ] - [ 0.0001919800000000, -0.0001085200000000, -0.0005232600000000 ] - [ -0.0010604800000000, -0.0018148000000000, 0.0031734500000000 ] - [ 0.0002752500000000, 0.0000007400000000, -0.0000756800000000 ] - [ -0.0005730200000000, -0.0001696200000000, 0.0001797400000000 ] - [ 0.0001912600000000, 0.0001092300000000, -0.0005193200000000 ] - [ 0.0001672400000000, -0.0000155200000000, -0.0001655300000000 ] - [ 0.0059912000000000, -0.0005086200000000, -0.0009475100000000 ] - [ 0.0228951100000000, 0.0016214100000000, 0.0016617000000000 ] - [ -0.0054719200000000, 0.0018812100000000, 0.0049770800000000 ] - [ 0.0388352600000000, 0.0228822400000000, -0.0163360600000000 ] - [ 0.0047505000000000, 0.0007116700000000, -0.0014119200000000 ] - [ 0.0073205500000000, -0.0034270100000000, -0.0051686200000000 ] - [ -0.0045386600000000, 0.0024674000000000, -0.0077716600000000 ] - [ 0.0084595500000000, -0.0047970400000000, 0.0031846400000000 ] - [ 0.0018731900000000, 0.0006989600000000, -0.0024524500000000 ] - [ 0.0012035000000000, -0.0000859100000000, -0.0009143900000000 ] - [ -0.0004044900000000, 0.0000002000000000, -0.0007593500000000 ] - [ -0.0000701300000000, -0.0000004900000000, -0.0005754400000000 ] - [ 0.0002547700000000, -0.0002021700000000, 0.0006182600000000 ] - [ 0.0000262200000000, 0.0000079000000000, 0.0000115000000000 ] - [ 0.0000498900000000, 0.0000071900000000, 0.0001926400000000 ] - [ 0.0000232000000000, -0.0000074500000000, 0.0000101800000000 ] - [ 0.0002427600000000, -0.0000022600000000, -0.0000864200000000 ] - [ -0.0000108600000000, -0.0000005900000000, 0.0000106000000000 ] - [ 0.0000401400000000, -0.0000519200000000, -0.0002268000000000 ] - [ -0.0008904800000000, -0.0000293400000000, -0.0022273400000000 ] - [ 0.0003294400000000, 0.0000002300000000, -0.0001538700000000 ] - [ 0.0009156200000000, 0.0000546800000000, -0.0008800500000000 ] - [ 0.0000247400000000, 0.0000523400000000, -0.0002443700000000 ] - [ 0.0005227600000000, -0.0000008000000000, -0.0001523000000000 ] - [ -0.0024738800000000, -0.0002192700000000, 0.0003720900000000 ] - [ -0.0084555900000000, -0.0004410800000000, -0.0018538700000000 ] - [ 0.0271938400000000, 0.0013223600000000, 0.0023936900000000 ] - [ -0.0060091900000000, -0.0000354500000000, -0.0010699000000000 ] - [ -0.0028486800000000, 0.0002272100000000, 0.0001707200000000 ] - [ -0.0105334700000000, -0.0014820100000000, 0.0024696200000000 ] - [ -0.0026485400000000, 0.0024775500000000, 0.0075096700000000 ] - [ -0.0045950200000000, 0.0000221300000000, -0.0021023100000000 ] - [ -0.0000469200000000, -0.0000026800000000, -0.0002098100000000 ] - [ -0.0003218900000000, -0.0000551800000000, -0.0005982300000000 ] - [ 0.0273928900000000, 0.0342497500000000, 0.0116478900000000 ] - [ 0.0002268300000000, 0.0000064600000000, -0.0000813000000000 ] - [ -0.0001233300000000, -0.0000020400000000, -0.0002188200000000 ] - [ 0.0001205900000000, 0.0001597800000000, 0.0007300000000000 ] - [ -0.0081206000000000, 0.0007386100000000, 0.0017953400000000 ] - [ -0.0002941700000000, 0.0000267500000000, -0.0004039900000000 ] - [ 0.0007833400000000, -0.0001948000000000, -0.0010485300000000 ] - [ -0.0001744500000000, -0.0000511300000000, -0.0005732100000000 ] - [ -0.0002750700000000, -0.0002970300000000, 0.0009587700000000 ] - [ 0.0003922100000000, 0.0000571000000000, -0.0001936300000000 ] - [ -0.0000707400000000, -0.0001105300000000, -0.0002676800000000 ] - [ -0.0001184700000000, -0.0000296200000000, 0.0003386600000000 ] - [ 0.0006778600000000, -0.0000515900000000, 0.0007099900000000 ] - [ 0.0003114700000000, -0.0000427000000000, -0.0001586500000000 ] - [ -0.0004442400000000, -0.0000002400000000, -0.0003599800000000 ] - [ -0.0000785500000000, 0.0001133600000000, -0.0002604800000000 ] - [ -0.0000078400000000, -0.0000023000000000, -0.0002471700000000 ] - [ 0.0002315300000000, 0.0000250900000000, -0.0000792100000000 ] - [ -0.0000686600000000, 0.0000427100000000, -0.0001027600000000 ] - [ 0.0001932600000000, 0.0000003200000000, -0.0000745400000000 ] - [ 0.0003439800000000, 0.0000028100000000, 0.0000846600000000 ] - [ -0.0000673700000000, -0.0000422800000000, -0.0001007600000000 ] - [ -0.0000614000000000, -0.0001450600000000, 0.0000393200000000 ] - [ 0.0000171000000000, 0.0000098900000000, 0.0002505100000000 ] - [ -0.0002160200000000, -0.0000001700000000, -0.0003035600000000 ] - [ -0.0000425200000000, 0.0001519900000000, 0.0000063000000000 ] - [ -0.0000702400000000, -0.0002258400000000, 0.0016775200000000 ] - [ 0.0001311700000000, 0.0000220600000000, -0.0004794900000000 ] - [ 0.0002121500000000, 0.0000037000000000, -0.0002733200000000 ] - [ -0.0003153400000000, -0.0000339400000000, -0.0004738700000000 ] - [ 0.0025473800000000, 0.0001211500000000, -0.0013564200000000 ] - [ 0.0003480200000000, 0.0001142700000000, -0.0005415200000000 ] - [ -0.0002969300000000, 0.0000312700000000, -0.0004676200000000 ] - [ -0.0018251000000000, -0.0002802000000000, -0.0005308400000000 ] - [ -0.1648894100000000, -0.0698025800000000, 0.0070729900000000 ] - [ -0.0026867800000000, -0.0045436200000000, 0.0088103100000000 ] - [ -0.0020509100000000, 0.0005799700000000, -0.0007506400000000 ] - [ -0.0048696700000000, 0.0037853600000000, 0.0092771600000000 ] - [ 0.0016898800000000, 0.0007464000000000, -0.0107442000000000 ] - [ -0.0140586200000000, -0.0030485400000000, -0.0010594100000000 ] - [ 0.0346906200000000, 0.0287201000000000, 0.0009953000000000 ] - [ -0.0026298500000000, 0.0001502500000000, -0.0023901100000000 ] - [ -0.0064033600000000, -0.0041927600000000, 0.0062713800000000 ] - [ 0.0158383700000000, -0.0092837600000000, -0.0010025900000000 ] - [ 0.0032645300000000, 0.0003487300000000, 0.0042667700000000 ] - [ -0.0024046100000000, -0.0009833100000000, -0.0016290000000000 ] - [ -0.0000936600000000, 0.0003510300000000, 0.0013289500000000 ] - [ -0.0000260900000000, 0.0000401400000000, 0.0001565800000000 ] - [ 0.0004039000000000, 0.0000986300000000, -0.0003978600000000 ] - [ -0.0014454100000000, -0.0003529800000000, -0.0007031900000000 ] - [ -0.0001773700000000, -0.0001118200000000, -0.0004017000000000 ] - [ -0.0002392000000000, 0.0000363400000000, -0.0002867600000000 ] - [ -0.0015991800000000, 0.0005364000000000, -0.0012488900000000 ] - [ -0.0004805200000000, 0.0000867000000000, -0.0002901500000000 ] - [ -0.0004575300000000, -0.0000001900000000, -0.0003783000000000 ] - [ -0.0001760600000000, 0.0001125500000000, -0.0003970900000000 ] - [ -0.0001620900000000, -0.0000019300000000, -0.0002078900000000 ] - [ -0.0004266400000000, -0.0000746400000000, -0.0002444200000000 ] - [ 0.0000256900000000, 0.0000404200000000, -0.0000067700000000 ] - [ 0.0002018400000000, 0.0000002800000000, -0.0000866800000000 ] - [ 0.0002334100000000, 0.0000023800000000, 0.0001294300000000 ] - [ 0.0000204200000000, -0.0000394200000000, -0.0000042800000000 ] - [ -0.0000426200000000, -0.0001518400000000, 0.0000055300000000 ] - [ -0.0001089200000000, -0.0000108700000000, -0.0001035200000000 ] - [ -0.0001526800000000, -0.0000019600000000, -0.0003841800000000 ] - [ -0.0000617800000000, 0.0001450100000000, 0.0000404900000000 ] - [ 0.0008235700000000, 0.0000490300000000, -0.0010896800000000 ] - [ 0.0001315400000000, -0.0000193100000000, 0.0000718300000000 ] - [ 0.0001211200000000, 0.0000009800000000, -0.0001655200000000 ] - [ 0.0001153000000000, -0.0000276600000000, -0.0006164900000000 ] - [ -0.0022264500000000, 0.0016290500000000, 0.0037901200000000 ] - [ -0.0002432300000000, 0.0001097200000000, 0.0012412900000000 ] - [ 0.0000896200000000, 0.0000436500000000, -0.0005566700000000 ] - [ 0.0009048500000000, 0.0000398800000000, -0.0001377300000000 ] - [ 0.0074841700000000, 0.0000410500000000, 0.0005037600000000 ] - [ 0.0033364200000000, -0.0000821800000000, -0.0009133100000000 ] - [ 0.0011721500000000, 0.0000012200000000, 0.0003187100000000 ] - [ 0.0034581000000000, 0.0005155900000000, -0.0002713400000000 ] - [ 0.0020768800000000, -0.0003672100000000, 0.0022584700000000 ] - [ 0.0055336600000000, -0.0001488300000000, 0.0003304400000000 ] - [ 0.0071667500000000, 0.0033754000000000, 0.0000807000000000 ] - [ 0.0023239500000000, 0.0003603800000000, 0.0023322300000000 ] - [ 0.0045374200000000, -0.0003870400000000, -0.0014018600000000 ] - [ 0.0116400100000000, -0.0078132400000000, 0.0010690400000000 ] - [ 0.0086249900000000, 0.0042185900000000, -0.0168447400000000 ] - [ 0.0038019800000000, -0.0001774200000000, 0.0035505000000000 ]- atom: 85 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0020929600000000, 0.0004179700000000, -0.0006586100000000 ] - [ 0.0009769500000000, -0.0002358900000000, -0.0008075700000000 ] - [ -0.0003507200000000, -0.0001266700000000, -0.0011946800000000 ] - [ -0.0000696200000000, 0.0000024500000000, -0.0005413600000000 ] - [ 0.0004935000000000, -0.0000774500000000, 0.0006485900000000 ] - [ 0.0000263100000000, 0.0000047200000000, 0.0000049100000000 ] - [ 0.0000707800000000, -0.0000193100000000, 0.0001830600000000 ] - [ 0.0000287500000000, -0.0000045800000000, 0.0000068300000000 ] - [ 0.0002158400000000, 0.0000375600000000, -0.0000723800000000 ] - [ -0.0000142400000000, 0.0000008700000000, 0.0000023100000000 ] - [ 0.0000021800000000, -0.0000422600000000, -0.0002209500000000 ] - [ 0.0011640000000000, 0.0018157500000000, -0.0035916900000000 ] - [ 0.0003298500000000, -0.0000004900000000, -0.0001676400000000 ] - [ 0.0006306600000000, 0.0001696900000000, -0.0008403700000000 ] - [ 0.0000031400000000, 0.0000420000000000, -0.0002246100000000 ] - [ 0.0005448600000000, 0.0000156700000000, -0.0001671400000000 ] - [ -0.0058585100000000, 0.0005913000000000, 0.0009234200000000 ] - [ -0.0234992500000000, -0.0010845800000000, -0.0005189300000000 ] - [ 0.0052465400000000, -0.0016618200000000, -0.0040698500000000 ] - [ -0.0383874500000000, -0.0222691000000000, 0.0168467200000000 ] - [ -0.0046122500000000, -0.0007935900000000, 0.0013958500000000 ] - [ -0.0073998800000000, 0.0031910100000000, 0.0060777900000000 ] - [ 0.0049145000000000, -0.0025044400000000, 0.0086094000000000 ] - [ -0.0084510000000000, 0.0048094800000000, -0.0034141700000000 ] - [ -0.0015917100000000, -0.0007059200000000, 0.0031095800000000 ] - [ -0.0013302600000000, 0.0000878000000000, 0.0001574000000000 ] - [ 0.0005759600000000, 0.0000796200000000, 0.0006980700000000 ] - [ -0.0001568400000000, 0.0000007200000000, -0.0001348500000000 ] - [ -0.0001022200000000, 0.0001232800000000, -0.0006778500000000 ] - [ -0.0000642700000000, 0.0000005700000000, -0.0000069600000000 ] - [ -0.0002500800000000, -0.0000068700000000, -0.0000244400000000 ] - [ -0.0000613200000000, -0.0000005400000000, -0.0000056300000000 ] - [ -0.0004395600000000, 0.0000024800000000, 0.0002171700000000 ] - [ 0.0000070700000000, 0.0000008000000000, -0.0000716000000000 ] - [ 0.0001552700000000, -0.0000984800000000, -0.0005157300000000 ] - [ 0.0009523300000000, 0.0000332700000000, 0.0018147000000000 ] - [ 0.0002760300000000, -0.0000000600000000, -0.0000903400000000 ] - [ -0.0008573800000000, -0.0000534900000000, 0.0002104100000000 ] - [ 0.0001704600000000, 0.0000985600000000, -0.0004982600000000 ] - [ 0.0001922800000000, 0.0000012700000000, -0.0001816700000000 ] - [ 0.0025927500000000, 0.0003077900000000, -0.0003562000000000 ] - [ 0.0082037600000000, 0.0004330100000000, 0.0024151500000000 ] - [ -0.0255490600000000, -0.0013405400000000, 0.0000995000000000 ] - [ 0.0064289400000000, 0.0000329200000000, 0.0021945800000000 ] - [ 0.0029698200000000, -0.0003154800000000, -0.0001539100000000 ] - [ 0.0103301200000000, 0.0012601000000000, -0.0015583800000000 ] - [ 0.0030692000000000, -0.0024783200000000, -0.0067021500000000 ] - [ 0.0046699600000000, -0.0000224900000000, 0.0018477000000000 ] - [ -0.0001209600000000, -0.0000031400000000, -0.0002148200000000 ] - [ 0.0003738000000000, 0.0000482000000000, 0.0006193300000000 ] - [ -0.0272324800000000, -0.0351563400000000, -0.0108947500000000 ] - [ -0.0002461200000000, 0.0000003400000000, -0.0004434000000000 ] - [ -0.0000449600000000, -0.0000037600000000, -0.0002059700000000 ] - [ -0.0000589900000000, -0.0001661800000000, -0.0007066900000000 ] - [ 0.0083832600000000, -0.0007355300000000, -0.0007557800000000 ] - [ 0.0002716800000000, -0.0000193600000000, -0.0001169500000000 ] - [ -0.0007973700000000, 0.0002693600000000, 0.0012735700000000 ] - [ -0.0000267600000000, 0.0000516100000000, 0.0000546100000000 ] - [ 0.0002524300000000, 0.0002271700000000, -0.0007500400000000 ] - [ -0.0010811500000000, -0.0000571500000000, -0.0008218900000000 ] - [ -0.0001930500000000, -0.0001155900000000, -0.0004032200000000 ] - [ -0.0002715600000000, 0.0000302400000000, -0.0003206300000000 ] - [ -0.0011214900000000, 0.0000520000000000, -0.0008296000000000 ] - [ -0.0004823000000000, 0.0000612200000000, -0.0001686400000000 ] - [ -0.0004732600000000, 0.0000004700000000, -0.0003815300000000 ] - [ -0.0001851800000000, 0.0001132500000000, -0.0004103900000000 ] - [ -0.0001527100000000, 0.0000028500000000, -0.0002174600000000 ] - [ -0.0004020800000000, -0.0000431900000000, -0.0002483800000000 ] - [ 0.0000179300000000, 0.0000391200000000, -0.0000141500000000 ] - [ 0.0002002900000000, -0.0000001200000000, -0.0000968000000000 ] - [ 0.0002387700000000, -0.0000025600000000, 0.0001354100000000 ] - [ 0.0000165300000000, -0.0000390500000000, -0.0000159100000000 ] - [ -0.0000395400000000, -0.0001511400000000, -0.0000022600000000 ] - [ -0.0001190200000000, -0.0000096900000000, -0.0001084800000000 ] - [ -0.0001446600000000, 0.0000003700000000, -0.0003834400000000 ] - [ -0.0000584000000000, 0.0001445100000000, 0.0000308500000000 ] - [ 0.0000322300000000, 0.0001345400000000, -0.0013647700000000 ] - [ 0.0001312000000000, -0.0000220600000000, 0.0000012000000000 ] - [ 0.0001289400000000, -0.0000035400000000, -0.0001593300000000 ] - [ 0.0001377900000000, -0.0000290100000000, -0.0005335900000000 ] - [ -0.0023316900000000, -0.0001228600000000, 0.0016504600000000 ] - [ -0.0003962900000000, -0.0000229000000000, 0.0008410000000000 ] - [ 0.0001199100000000, 0.0000320300000000, -0.0005396500000000 ] - [ 0.0014379700000000, 0.0002798500000000, 0.0001372600000000 ] - [ 0.1630003400000000, 0.0698656500000000, -0.0080092200000000 ] - [ 0.0035643300000000, 0.0045367200000000, -0.0085027600000000 ] - [ 0.0021718700000000, -0.0005783000000000, 0.0004613700000000 ] - [ 0.0047069900000000, -0.0038211300000000, -0.0086140200000000 ] - [ -0.0017172900000000, -0.0003644500000000, 0.0115679000000000 ] - [ 0.0140840400000000, 0.0024639200000000, 0.0014550400000000 ] - [ -0.0339440500000000, -0.0281404800000000, 0.0001235800000000 ] - [ 0.0025930500000000, -0.0005252300000000, 0.0032904300000000 ] - [ 0.0064736100000000, 0.0042400300000000, -0.0056551000000000 ] - [ -0.0156822000000000, 0.0094548800000000, 0.0011018400000000 ] - [ -0.0034178300000000, -0.0001000700000000, -0.0032649100000000 ] - [ 0.0023028600000000, 0.0007365000000000, 0.0026058800000000 ] - [ 0.0000695000000000, -0.0002816600000000, -0.0011255200000000 ] - [ -0.0001812100000000, -0.0000404400000000, -0.0006794400000000 ] - [ -0.0004166300000000, -0.0001721000000000, 0.0006204500000000 ] - [ 0.0007712300000000, 0.0003545900000000, -0.0003229400000000 ] - [ -0.0000849900000000, -0.0001138500000000, -0.0002689400000000 ] - [ -0.0001448400000000, -0.0000361200000000, 0.0003074000000000 ] - [ 0.0011703500000000, -0.0005387200000000, 0.0011202000000000 ] - [ 0.0003127300000000, -0.0000684900000000, -0.0000412300000000 ] - [ -0.0004597300000000, 0.0000005200000000, -0.0003636600000000 ] - [ -0.0000861600000000, 0.0001137000000000, -0.0002735200000000 ] - [ 0.0000014100000000, 0.0000022000000000, -0.0002581800000000 ] - [ 0.0002583700000000, 0.0000567600000000, -0.0000868400000000 ] - [ -0.0000757200000000, 0.0000414300000000, -0.0001099400000000 ] - [ 0.0001923300000000, -0.0000000200000000, -0.0000847500000000 ] - [ 0.0003493000000000, -0.0000018800000000, 0.0000897000000000 ] - [ -0.0000703500000000, -0.0000420000000000, -0.0001123600000000 ] - [ -0.0000582900000000, -0.0001442500000000, 0.0000317100000000 ] - [ 0.0000046100000000, 0.0000111300000000, 0.0002444300000000 ] - [ -0.0002082200000000, 0.0000022100000000, -0.0003033500000000 ] - [ -0.0000392400000000, 0.0001515600000000, -0.0000034400000000 ] - [ -0.0008705100000000, -0.0001401700000000, 0.0013883300000000 ] - [ 0.0001326400000000, 0.0000194700000000, -0.0005482200000000 ] - [ 0.0002200000000000, -0.0000007400000000, -0.0002655800000000 ] - [ -0.0002921800000000, -0.0000354500000000, -0.0003940600000000 ] - [ 0.0024747000000000, -0.0016278000000000, -0.0034599000000000 ] - [ 0.0002047700000000, -0.0000184700000000, -0.0009320600000000 ] - [ -0.0002662100000000, 0.0000194700000000, -0.0004536200000000 ] - [ -0.0012855400000000, -0.0000393800000000, -0.0002647000000000 ] - [ -0.0074469900000000, 0.0002886600000000, -0.0001025300000000 ] - [ -0.0025245800000000, 0.0000843300000000, 0.0011816500000000 ] - [ -0.0010413100000000, -0.0000016400000000, -0.0006162700000000 ] - [ -0.0035446300000000, -0.0005154300000000, 0.0010330100000000 ] - [ -0.0020771900000000, 0.0007411900000000, -0.0013746900000000 ] - [ -0.0054966700000000, -0.0001761500000000, 0.0000696400000000 ] - [ -0.0070732500000000, -0.0034239200000000, 0.0010327700000000 ] - [ -0.0023302400000000, -0.0007338200000000, -0.0014483300000000 ] - [ -0.0044270400000000, 0.0003860700000000, 0.0021008100000000 ] - [ -0.0110843400000000, 0.0076662700000000, -0.0009802900000000 ] - [ -0.0088167700000000, -0.0039887000000000, 0.0180249600000000 ] - [ -0.0039467000000000, -0.0000685600000000, -0.0025610500000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000366700000000, -0.0001285100000000, 0.0003103800000000 ] - [ -0.0001164700000000, 0.0000700500000000, -0.0003897700000000 ] - [ 0.0001025300000000, 0.0004164700000000, 0.0001403100000000 ] - [ -0.0001244600000000, -0.0000010800000000, -0.0003693400000000 ] - [ 0.0000160000000000, -0.0000405800000000, -0.0000786700000000 ] - [ -0.0000244800000000, 0.0000089700000000, 0.0000001500000000 ] - [ -0.0001031100000000, 0.0000069600000000, 0.0000761000000000 ] - [ -0.0000254700000000, -0.0000094700000000, -0.0000006300000000 ] - [ -0.0001527900000000, -0.0000118200000000, 0.0000678600000000 ] - [ -0.0000051300000000, 0.0000018300000000, -0.0000291700000000 ] - [ 0.0000823100000000, -0.0000644400000000, -0.0003819800000000 ] - [ 0.0002954500000000, 0.0012523100000000, -0.0001444500000000 ] - [ 0.0003021400000000, 0.0000003100000000, -0.0001127900000000 ] - [ 0.0000602100000000, 0.0001114700000000, -0.0002934600000000 ] - [ 0.0000898300000000, 0.0000651100000000, -0.0003752500000000 ] - [ 0.0003407900000000, 0.0000106500000000, -0.0001613500000000 ] - [ -0.0007589100000000, 0.0027557100000000, -0.0011340100000000 ] - [ -0.0020372400000000, 0.0223704400000000, 0.0039527500000000 ] - [ 0.0005361600000000, -0.0022592400000000, 0.0000528700000000 ] - [ 0.0241423000000000, 0.0592272300000000, -0.0314368800000000 ] - [ 0.0003119900000000, -0.0028471100000000, 0.0007549800000000 ] - [ -0.0038394300000000, -0.0109045500000000, -0.0049548600000000 ] - [ 0.0024981800000000, 0.0005854100000000, 0.0023724500000000 ] - [ -0.0043627000000000, -0.0016599700000000, 0.0027221400000000 ] - [ 0.0005412300000000, 0.0002460400000000, -0.0028521400000000 ] - [ 0.0002865100000000, 0.0000226100000000, 0.0000740600000000 ] - [ 0.0000378600000000, 0.0000508500000000, -0.0000688200000000 ] - [ -0.0001072800000000, -0.0000016700000000, -0.0003995600000000 ] - [ 0.0000219600000000, -0.0004129600000000, -0.0000158600000000 ] - [ -0.0000153100000000, 0.0000077100000000, 0.0000047000000000 ] - [ -0.0000676800000000, 0.0000045700000000, 0.0001122000000000 ] - [ -0.0000165200000000, -0.0000088000000000, 0.0000039900000000 ] - [ -0.0000862800000000, -0.0000061200000000, 0.0000357000000000 ] - [ -0.0000023100000000, 0.0000008900000000, -0.0000290200000000 ] - [ 0.0001012000000000, -0.0000598900000000, -0.0003739000000000 ] - [ -0.0014295500000000, 0.0000872600000000, -0.0009423900000000 ] - [ 0.0003039400000000, 0.0000001100000000, -0.0001202000000000 ] - [ -0.0001196100000000, 0.0000432100000000, -0.0004376800000000 ] - [ 0.0001128100000000, 0.0000610800000000, -0.0003625700000000 ] - [ 0.0003591000000000, 0.0000066100000000, -0.0001871200000000 ] - [ 0.0000520900000000, -0.0001982000000000, 0.0000864500000000 ] - [ 0.0019375900000000, 0.0002495400000000, 0.0018839400000000 ] - [ 0.0028573900000000, 0.0198959100000000, 0.0023204400000000 ] - [ -0.0005105900000000, 0.0000436800000000, -0.0001435300000000 ] - [ 0.0001992500000000, 0.0002032400000000, 0.0001210300000000 ] - [ -0.0011255900000000, 0.0021874500000000, -0.0004669700000000 ] - [ 0.0028243500000000, -0.0025211300000000, -0.0033380200000000 ] - [ -0.0004035400000000, 0.0000348200000000, -0.0005795300000000 ] - [ -0.0000818500000000, -0.0000036400000000, -0.0002178300000000 ] - [ 0.0000649600000000, -0.0000250300000000, 0.0002376600000000 ] - [ 0.0360875100000000, 0.0596555700000000, 0.0214507000000000 ] - [ 0.0000185500000000, -0.0000039900000000, -0.0002078200000000 ] - [ -0.0000847800000000, -0.0000040000000000, -0.0002134000000000 ] - [ 0.0001080100000000, -0.0001133500000000, -0.0000101700000000 ] - [ -0.0013763700000000, 0.0002390900000000, 0.0010385900000000 ] - [ -0.0000143100000000, -0.0000051400000000, -0.0002455400000000 ] - [ 0.0001296000000000, -0.0000383200000000, -0.0000278100000000 ] - [ -0.0001581500000000, -0.0000149300000000, -0.0002025700000000 ] - [ -0.0000225600000000, -0.0007122500000000, 0.0003875600000000 ] - [ -0.0003046900000000, 0.0000127500000000, -0.0005053000000000 ] - [ -0.0001236200000000, -0.0001089500000000, -0.0003253300000000 ] - [ -0.0002244900000000, 0.0000086500000000, -0.0000050400000000 ] - [ -0.0002042800000000, -0.0000070600000000, 0.0000122400000000 ] - [ -0.0000470800000000, -0.0000035000000000, -0.0001682500000000 ] - [ -0.0004499900000000, -0.0000001700000000, -0.0003664700000000 ] - [ -0.0001251200000000, 0.0001102700000000, -0.0003219600000000 ] - [ -0.0000802000000000, -0.0000007800000000, -0.0002200300000000 ] - [ -0.0000707700000000, -0.0000014100000000, -0.0001446400000000 ] - [ -0.0000278700000000, 0.0000440900000000, -0.0000524700000000 ] - [ 0.0001986000000000, -0.0000000900000000, -0.0000803300000000 ] - [ 0.0002991600000000, 0.0000007600000000, 0.0001020400000000 ] - [ -0.0000271900000000, -0.0000449300000000, -0.0000552300000000 ] - [ -0.0000530300000000, -0.0001487300000000, 0.0000242000000000 ] - [ -0.0000315600000000, 0.0000047800000000, 0.0000761200000000 ] - [ -0.0001792000000000, 0.0000005200000000, -0.0003362900000000 ] - [ -0.0000523100000000, 0.0001485800000000, 0.0000222000000000 ] - [ 0.0001481800000000, 0.0007852700000000, 0.0004611200000000 ] - [ 0.0001384100000000, -0.0000149200000000, -0.0002615000000000 ] - [ 0.0001711900000000, -0.0000023500000000, -0.0002255300000000 ] - [ -0.0000832400000000, -0.0000215300000000, -0.0004702200000000 ] - [ 0.0002180400000000, -0.0002227800000000, -0.0004743400000000 ] - [ 0.0000603200000000, 0.0000645000000000, -0.0000262400000000 ] - [ -0.0000811000000000, 0.0000152500000000, -0.0004927900000000 ] - [ -0.0004920600000000, 0.0001271800000000, 0.0002395200000000 ] - [ -0.0691839500000000, -0.2389655500000000, 0.0161095200000000 ] - [ -0.0014108100000000, 0.0010460400000000, -0.0067886900000000 ] - [ 0.0007075600000000, -0.0003675300000000, -0.0003934900000000 ] - [ 0.0040410500000000, 0.0035123700000000, 0.0151211400000000 ] - [ -0.0022769200000000, -0.0033677400000000, 0.0040047700000000 ] - [ 0.0028061000000000, 0.0590570500000000, -0.0006072300000000 ] - [ 0.0230015300000000, 0.0065247200000000, -0.0003510000000000 ] - [ 0.0008766100000000, 0.0012494700000000, -0.0011096400000000 ] - [ -0.0034429800000000, 0.0121659000000000, -0.0135156300000000 ] - [ -0.0070808400000000, 0.0013358500000000, 0.0005136600000000 ] - [ -0.0001377900000000, 0.0020602200000000, 0.0005593200000000 ] - [ -0.0008096500000000, 0.0020599800000000, 0.0021199700000000 ] - [ -0.0000641500000000, 0.0009226500000000, 0.0003664300000000 ] - [ -0.0000564200000000, 0.0000054800000000, -0.0001370200000000 ] - [ 0.0000108300000000, 0.0000180200000000, 0.0001717000000000 ] - [ -0.0008047900000000, -0.0001090500000000, -0.0000465300000000 ] - [ -0.0001334100000000, -0.0001083100000000, -0.0003401800000000 ] - [ -0.0001202200000000, 0.0000117200000000, -0.0000917300000000 ] - [ 0.0002500900000000, 0.0000695300000000, -0.0008533700000000 ] - [ -0.0001374200000000, 0.0000739700000000, -0.0001949400000000 ] - [ -0.0004514700000000, -0.0000001200000000, -0.0003709400000000 ] - [ -0.0001333500000000, 0.0001087100000000, -0.0003377800000000 ] - [ -0.0000924100000000, -0.0000007400000000, -0.0002203500000000 ] - [ -0.0001327900000000, -0.0000778300000000, -0.0001767800000000 ] - [ -0.0000221200000000, 0.0000443800000000, -0.0000547200000000 ] - [ 0.0001975600000000, -0.0000001400000000, -0.0000838700000000 ] - [ 0.0002838800000000, 0.0000006100000000, 0.0001061200000000 ] - [ -0.0000195900000000, -0.0000452000000000, -0.0000585000000000 ] - [ -0.0000523100000000, -0.0001486700000000, 0.0000225400000000 ] - [ -0.0000734100000000, 0.0000069500000000, 0.0000822000000000 ] - [ -0.0001869700000000, 0.0000011300000000, -0.0003414500000000 ] - [ -0.0000529900000000, 0.0001486400000000, 0.0000237900000000 ] - [ -0.0002725300000000, -0.0001597300000000, 0.0003493200000000 ] - [ 0.0001394800000000, -0.0000059100000000, -0.0002660000000000 ] - [ 0.0001745100000000, -0.0000015100000000, -0.0002138600000000 ] - [ -0.0001041100000000, -0.0000404800000000, -0.0005005900000000 ] - [ 0.0017318100000000, 0.0024068100000000, 0.0045311300000000 ] - [ 0.0000632100000000, -0.0005828300000000, 0.0002502000000000 ] - [ -0.0000843800000000, 0.0000299000000000, -0.0005393700000000 ] - [ -0.0001669800000000, -0.0000323900000000, -0.0003243000000000 ] - [ -0.0001050900000000, 0.0016406200000000, 0.0002970600000000 ] - [ -0.0000247100000000, 0.0001132800000000, 0.0005377300000000 ] - [ 0.0000045100000000, 0.0000211900000000, -0.0001710800000000 ] - [ 0.0002112800000000, 0.0001554700000000, 0.0001281400000000 ] - [ -0.0000752300000000, 0.0009632600000000, 0.0002825800000000 ] - [ 0.0000037900000000, -0.0012691100000000, 0.0002951000000000 ] - [ 0.0035007800000000, 0.0015043100000000, 0.0001407900000000 ] - [ -0.0000020500000000, -0.0009116800000000, 0.0003425900000000 ] - [ -0.0002097100000000, -0.0002104000000000, 0.0009761000000000 ] - [ -0.0095824600000000, 0.0062964600000000, -0.0005002700000000 ] - [ 0.0034719500000000, -0.0039552800000000, -0.0025382800000000 ] - [ -0.0002347000000000, -0.0018068800000000, 0.0004882700000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002500200000000, 0.0001250200000000, 0.0002815000000000 ] - [ -0.0000087100000000, -0.0000681100000000, -0.0003845300000000 ] - [ 0.0000577300000000, -0.0003393500000000, -0.0002059900000000 ] - [ -0.0001042400000000, 0.0000009500000000, -0.0003403200000000 ] - [ 0.0001441100000000, -0.0000382500000000, 0.0000091000000000 ] - [ -0.0000133400000000, -0.0000000900000000, 0.0000158500000000 ] - [ -0.0000952600000000, -0.0000068400000000, 0.0000916900000000 ] - [ -0.0000124000000000, 0.0000004800000000, 0.0000166200000000 ] - [ -0.0000446700000000, 0.0000114300000000, 0.0000567900000000 ] - [ -0.0000004600000000, -0.0000018500000000, -0.0000154900000000 ] - [ 0.0001141500000000, -0.0000830400000000, -0.0003546500000000 ] - [ -0.0002018100000000, -0.0012299000000000, -0.0002804600000000 ] - [ 0.0003035400000000, -0.0000003700000000, -0.0001105300000000 ] - [ -0.0000023500000000, -0.0001094200000000, -0.0003639300000000 ] - [ 0.0001067800000000, 0.0000822600000000, -0.0003612300000000 ] - [ 0.0003688900000000, -0.0000104900000000, -0.0001659800000000 ] - [ 0.0008498400000000, -0.0026855400000000, 0.0011425200000000 ] - [ 0.0010157200000000, -0.0214891800000000, -0.0024525700000000 ] - [ -0.0007387000000000, 0.0024985400000000, 0.0008837600000000 ] - [ -0.0223488800000000, -0.0573836100000000, 0.0302821800000000 ] - [ -0.0001988700000000, 0.0027751100000000, -0.0007301900000000 ] - [ 0.0035470600000000, 0.0107525600000000, 0.0058443100000000 ] - [ -0.0020934500000000, -0.0005846500000000, -0.0016093700000000 ] - [ 0.0044553500000000, 0.0016236400000000, -0.0030072800000000 ] - [ -0.0002505100000000, -0.0002497500000000, 0.0034728000000000 ] - [ -0.0004113700000000, -0.0000215000000000, -0.0008503900000000 ] - [ 0.0001236400000000, 0.0000280000000000, -0.0000002200000000 ] - [ -0.0001212400000000, 0.0000015600000000, -0.0003101000000000 ] - [ 0.0001360300000000, 0.0003357700000000, -0.0000538200000000 ] - [ -0.0000224000000000, 0.0000012300000000, 0.0000114700000000 ] - [ -0.0001309300000000, -0.0000044600000000, 0.0000558100000000 ] - [ -0.0000212600000000, -0.0000002500000000, 0.0000121700000000 ] - [ -0.0001106400000000, 0.0000059800000000, 0.0000892300000000 ] - [ -0.0000034400000000, -0.0000009900000000, -0.0000159100000000 ] - [ 0.0000953600000000, -0.0000878700000000, -0.0003639400000000 ] - [ 0.0015374700000000, -0.0000864100000000, 0.0005334900000000 ] - [ 0.0003016600000000, -0.0000001900000000, -0.0001030000000000 ] - [ 0.0001742400000000, -0.0000422900000000, -0.0002149200000000 ] - [ 0.0000838700000000, 0.0000865300000000, -0.0003750900000000 ] - [ 0.0003490200000000, -0.0000065400000000, -0.0001397600000000 ] - [ 0.0000687000000000, 0.0002845200000000, -0.0000802300000000 ] - [ -0.0021855500000000, -0.0002485600000000, -0.0013186400000000 ] - [ -0.0031164500000000, -0.0197019900000000, -0.0014129100000000 ] - [ 0.0009345100000000, -0.0000419900000000, 0.0012342000000000 ] - [ -0.0000749100000000, -0.0002897000000000, -0.0001136000000000 ] - [ 0.0008880400000000, -0.0024260600000000, 0.0013808900000000 ] - [ -0.0024871300000000, 0.0024989300000000, 0.0041379300000000 ] - [ 0.0004745100000000, -0.0000350800000000, 0.0003318300000000 ] - [ -0.0000862700000000, -0.0000025300000000, -0.0002054500000000 ] - [ -0.0000053900000000, 0.0000176200000000, -0.0002009200000000 ] - [ -0.0379389100000000, -0.0626000500000000, -0.0216093100000000 ] - [ -0.0000413800000000, 0.0000107100000000, -0.0003120100000000 ] - [ -0.0000829900000000, -0.0000020200000000, -0.0002104500000000 ] - [ -0.0000515900000000, 0.0001043800000000, 0.0000436000000000 ] - [ 0.0016694500000000, -0.0002481200000000, -0.0000249400000000 ] - [ -0.0000061600000000, 0.0000118200000000, -0.0002738000000000 ] - [ -0.0001420400000000, 0.0001114300000000, 0.0002392700000000 ] - [ -0.0000450700000000, 0.0000144700000000, -0.0003212000000000 ] - [ 0.0000066100000000, 0.0006414900000000, -0.0001725200000000 ] - [ -0.0003806500000000, -0.0000127900000000, -0.0005187100000000 ] - [ -0.0001378300000000, -0.0001178700000000, -0.0003461700000000 ] - [ -0.0001645400000000, -0.0000085400000000, 0.0000239400000000 ] - [ -0.0002357300000000, 0.0000068900000000, -0.0001437900000000 ] - [ -0.0001218700000000, 0.0000194300000000, -0.0001631400000000 ] - [ -0.0004508400000000, -0.0000003700000000, -0.0003802100000000 ] - [ -0.0001362700000000, 0.0001164200000000, -0.0003493800000000 ] - [ -0.0000843000000000, 0.0000007500000000, -0.0002390300000000 ] - [ -0.0000987700000000, -0.0000147800000000, -0.0001861200000000 ] - [ -0.0000206100000000, 0.0000401200000000, -0.0000650100000000 ] - [ 0.0001961200000000, -0.0000000300000000, -0.0000872500000000 ] - [ 0.0002785800000000, -0.0000007900000000, 0.0001127600000000 ] - [ -0.0000212600000000, -0.0000395300000000, -0.0000619900000000 ] - [ -0.0000524900000000, -0.0001494800000000, 0.0000171400000000 ] - [ -0.0000727600000000, -0.0000048600000000, 0.0000481600000000 ] - [ -0.0001849100000000, -0.0000005700000000, -0.0003519300000000 ] - [ -0.0000532400000000, 0.0001494000000000, 0.0000192000000000 ] - [ -0.0001905400000000, -0.0008753600000000, -0.0001662500000000 ] - [ 0.0001279600000000, 0.0000143200000000, -0.0002248900000000 ] - [ 0.0001700300000000, 0.0000021300000000, -0.0002163600000000 ] - [ -0.0000947100000000, -0.0000399200000000, -0.0005485800000000 ] - [ -0.0000041900000000, 0.0002200700000000, 0.0007878800000000 ] - [ -0.0001010600000000, 0.0000213500000000, 0.0003268200000000 ] - [ -0.0000964500000000, 0.0000458600000000, -0.0005259700000000 ] - [ 0.0001109600000000, -0.0001245600000000, -0.0006395800000000 ] - [ 0.0705314300000000, 0.2386961700000000, -0.0132738700000000 ] - [ 0.0022287000000000, -0.0010606300000000, 0.0070412200000000 ] - [ -0.0005754000000000, 0.0003624500000000, 0.0001226100000000 ] - [ -0.0041210500000000, -0.0035890600000000, -0.0143506400000000 ] - [ 0.0022329900000000, 0.0037798000000000, -0.0030270200000000 ] - [ -0.0027050000000000, -0.0583634500000000, 0.0010195000000000 ] - [ -0.0227640800000000, -0.0066545200000000, 0.0014405700000000 ] - [ -0.0008706000000000, -0.0016380200000000, 0.0020089500000000 ] - [ 0.0036351300000000, -0.0121895100000000, 0.0144150500000000 ] - [ 0.0074361100000000, -0.0013481200000000, -0.0004180700000000 ] - [ -0.0000082000000000, -0.0018255200000000, 0.0004034900000000 ] - [ 0.0006601500000000, -0.0023091200000000, -0.0011334600000000 ] - [ 0.0000476300000000, -0.0008533100000000, -0.0001540500000000 ] - [ -0.0001480200000000, -0.0000058500000000, -0.0003867500000000 ] - [ -0.0000264400000000, -0.0000922800000000, 0.0000448000000000 ] - [ 0.0001219900000000, 0.0001070000000000, -0.0009817400000000 ] - [ -0.0001279100000000, -0.0001183700000000, -0.0003312800000000 ] - [ -0.0002687400000000, -0.0000114900000000, 0.0001106800000000 ] - [ -0.0006940200000000, -0.0000654500000000, 0.0007232100000000 ] - [ -0.0000320000000000, -0.0000582900000000, -0.0001370400000000 ] - [ -0.0004495600000000, 0.0000000600000000, -0.0003759600000000 ] - [ -0.0001278400000000, 0.0001179100000000, -0.0003336300000000 ] - [ -0.0000720200000000, 0.0000007000000000, -0.0002389100000000 ] - [ -0.0000366600000000, 0.0000620700000000, -0.0001544700000000 ] - [ -0.0000270400000000, 0.0000398900000000, -0.0000630000000000 ] - [ 0.0001969900000000, 0.0000000500000000, -0.0000834600000000 ] - [ 0.0002937800000000, -0.0000006700000000, 0.0001085800000000 ] - [ -0.0000294000000000, -0.0000392200000000, -0.0000590600000000 ] - [ -0.0000531900000000, -0.0001495100000000, 0.0000189300000000 ] - [ -0.0000299200000000, -0.0000067800000000, 0.0000431200000000 ] - [ -0.0001771400000000, -0.0000011000000000, -0.0003463200000000 ] - [ -0.0000525200000000, 0.0001489700000000, 0.0000173000000000 ] - [ 0.0002265800000000, 0.0000712600000000, -0.0000424100000000 ] - [ 0.0001261600000000, 0.0000058000000000, -0.0002224300000000 ] - [ 0.0001668200000000, 0.0000014600000000, -0.0002281200000000 ] - [ -0.0000751900000000, -0.0000210900000000, -0.0005170100000000 ] - [ -0.0015380500000000, -0.0024030500000000, -0.0042721200000000 ] - [ -0.0001065900000000, 0.0006728600000000, 0.0000423300000000 ] - [ -0.0000940800000000, 0.0000311900000000, -0.0004787400000000 ] - [ -0.0002237700000000, 0.0000317200000000, -0.0000733800000000 ] - [ 0.0001438600000000, -0.0013207900000000, 0.0001114000000000 ] - [ 0.0008361900000000, -0.0001107900000000, -0.0002479100000000 ] - [ 0.0001208900000000, -0.0000211400000000, -0.0001011700000000 ] - [ -0.0002975800000000, -0.0001505000000000, 0.0006250200000000 ] - [ 0.0000574300000000, -0.0005931800000000, 0.0006279600000000 ] - [ 0.0000326900000000, 0.0009486600000000, 0.0001136300000000 ] - [ -0.0033995400000000, -0.0014915600000000, 0.0009783500000000 ] - [ -0.0000163400000000, 0.0005409800000000, 0.0005671200000000 ] - [ 0.0003225500000000, 0.0002065500000000, -0.0002930900000000 ] - [ 0.0101340600000000, -0.0063169600000000, 0.0006137800000000 ] - [ -0.0035280000000000, 0.0042707500000000, 0.0034280100000000 ] - [ 0.0000856000000000, 0.0015682700000000, 0.0004766900000000 ]- atom: 85 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0007571500000000, 0.0003810400000000, 0.0007281300000000 ] - [ 0.0002129100000000, -0.0002095500000000, -0.0016222000000000 ] - [ 0.0010914600000000, 0.0001695400000000, -0.0026323700000000 ] - [ 0.0000411200000000, 0.0000076600000000, -0.0024468600000000 ] - [ -0.0013593200000000, -0.0001056700000000, -0.0016728800000000 ] - [ -0.0002328400000000, -0.0000032000000000, -0.0025067000000000 ] - [ -0.0004791200000000, -0.0000234100000000, -0.0021723700000000 ] - [ -0.0002276800000000, 0.0000031900000000, -0.0025047700000000 ] - [ 0.0001150800000000, 0.0000330600000000, -0.0019508700000000 ] - [ -0.0001282500000000, 0.0000033800000000, -0.0026507100000000 ] - [ -0.0001204800000000, -0.0002412500000000, -0.0027559300000000 ] - [ 0.0037978100000000, 0.0033066700000000, -0.0017899800000000 ] - [ 0.0003718700000000, 0.0000001100000000, -0.0023673400000000 ] - [ 0.0003297400000000, 0.0003116300000000, -0.0024021800000000 ] - [ -0.0000907400000000, 0.0002417600000000, -0.0027263300000000 ] - [ 0.0002449500000000, 0.0000287900000000, -0.0021943700000000 ] - [ 0.0002791300000000, -0.0013104900000000, -0.0079307400000000 ] - [ 0.0030804300000000, 0.0022163100000000, 0.0306419700000000 ] - [ 0.0007498700000000, 0.0006048700000000, 0.0074427600000000 ] - [ -0.0095338800000000, -0.0240874000000000, 0.0474348500000000 ] - [ 0.0040318200000000, 0.0015347600000000, -0.0035105700000000 ] - [ -0.0049447700000000, -0.0010733400000000, 0.0140908600000000 ] - [ -0.0090030000000000, 0.0021655200000000, 0.0048008200000000 ] - [ 0.0052110900000000, 0.0037535500000000, -0.0033126100000000 ] - [ 0.0005045200000000, 0.0013866300000000, -0.0079711400000000 ] - [ 0.0002458300000000, -0.0003240900000000, -0.0035912800000000 ] - [ -0.0017096800000000, 0.0001096700000000, -0.0018290900000000 ] - [ -0.0001792100000000, 0.0000108500000000, -0.0026718300000000 ] - [ 0.0013605000000000, -0.0001729000000000, -0.0022060800000000 ] - [ -0.0001892100000000, -0.0000105900000000, -0.0026115200000000 ] - [ 0.0000425100000000, -0.0000288900000000, -0.0024848300000000 ] - [ -0.0001849700000000, 0.0000106900000000, -0.0026079400000000 ] - [ -0.0000720200000000, 0.0000492800000000, -0.0026212000000000 ] - [ -0.0000365200000000, 0.0000027700000000, -0.0025863000000000 ] - [ 0.0001506500000000, -0.0001659600000000, -0.0024703000000000 ] - [ -0.0046396900000000, 0.0003241000000000, -0.0011382400000000 ] - [ 0.0003366200000000, 0.0000003800000000, -0.0024834300000000 ] - [ 0.0001001300000000, 0.0002467700000000, -0.0039865100000000 ] - [ 0.0001815900000000, 0.0001653200000000, -0.0024392900000000 ] - [ 0.0007397900000000, 0.0000235200000000, -0.0025158400000000 ] - [ -0.0003610900000000, 0.0000720800000000, 0.0005262800000000 ] - [ -0.0016322900000000, 0.0001137700000000, 0.0057778500000000 ] - [ 0.0054433000000000, 0.0006122300000000, 0.0312816300000000 ] - [ -0.0012602700000000, -0.0000770900000000, 0.0062316900000000 ] - [ 0.0000562500000000, -0.0000648500000000, 0.0006352800000000 ] - [ 0.0038777700000000, -0.0005438900000000, 0.0097669200000000 ] - [ 0.0064785600000000, -0.0044190500000000, 0.0073093000000000 ] - [ -0.0021152700000000, -0.0001078200000000, 0.0007215500000000 ] - [ 0.0000082500000000, -0.0000053100000000, -0.0018716000000000 ] - [ -0.0011236700000000, -0.0001564400000000, -0.0018254800000000 ] - [ 0.0129960000000000, 0.0211130300000000, 0.0181534600000000 ] - [ 0.0002636100000000, -0.0000175400000000, -0.0024354300000000 ] - [ -0.0000689800000000, -0.0000058100000000, -0.0018385700000000 ] - [ 0.0008723000000000, -0.0003087000000000, -0.0016404400000000 ] - [ -0.0006651700000000, 0.0003019300000000, 0.0047783800000000 ] - [ -0.0003137000000000, -0.0000115900000000, -0.0015556000000000 ] - [ -0.0008872000000000, 0.0001847900000000, 0.0009529200000000 ] - [ -0.0005088100000000, 0.0000456800000000, 0.0013800200000000 ] - [ 0.0011068200000000, -0.0007241400000000, 0.0024242700000000 ] - [ 0.0002291600000000, -0.0000062000000000, -0.0002615400000000 ] - [ 0.0001641400000000, -0.0002092300000000, 0.0010964200000000 ] - [ 0.0002342100000000, -0.0000671600000000, 0.0016706800000000 ] - [ 0.0004638600000000, 0.0000087400000000, 0.0002912800000000 ] - [ -0.0000443100000000, -0.0000518500000000, 0.0010444600000000 ] - [ -0.0005708600000000, 0.0000014600000000, 0.0011765500000000 ] - [ 0.0001634000000000, 0.0002061300000000, 0.0010778400000000 ] - [ -0.0001903500000000, 0.0000025200000000, 0.0012431400000000 ] - [ 0.0000262300000000, 0.0000680900000000, 0.0009785200000000 ] - [ -0.0001118300000000, 0.0000615500000000, 0.0014986600000000 ] - [ 0.0001137800000000, -0.0000009600000000, 0.0015304600000000 ] - [ 0.0001021500000000, -0.0000027300000000, 0.0017441800000000 ] - [ -0.0001080200000000, -0.0000639200000000, 0.0014885500000000 ] - [ 0.0001979100000000, -0.0000183200000000, 0.0015460500000000 ] - [ 0.0002026700000000, 0.0000203000000000, 0.0017262200000000 ] - [ -0.0001633900000000, 0.0000023500000000, 0.0012468700000000 ] - [ 0.0001454300000000, 0.0000115900000000, 0.0014759000000000 ] - [ 0.0013892100000000, -0.0003622400000000, 0.0035600300000000 ] - [ -0.0001055500000000, -0.0000411200000000, 0.0012383000000000 ] - [ 0.0001682400000000, -0.0000059300000000, 0.0015424900000000 ] - [ -0.0001280200000000, -0.0000662900000000, 0.0014215300000000 ] - [ -0.0007881100000000, -0.0005207600000000, -0.0015395800000000 ] - [ -0.0007166100000000, -0.0000663300000000, 0.0005640000000000 ] - [ -0.0001057900000000, 0.0000470200000000, 0.0013374100000000 ] - [ -0.0007330900000000, 0.0003039800000000, 0.0020832300000000 ] - [ -0.0169351000000000, 0.0038240000000000, -0.1581649300000000 ] - [ 0.0055321200000000, -0.0102442000000000, 0.0130771600000000 ] - [ -0.0011185200000000, -0.0006784400000000, 0.0022985500000000 ] - [ 0.0090603700000000, 0.0158987200000000, 0.0216827100000000 ] - [ -0.0117342800000000, -0.0000776900000000, 0.0105624900000000 ] - [ -0.0032438900000000, 0.0001424300000000, -0.0149675500000000 ] - [ 0.0056502700000000, 0.0033897700000000, -0.0118177300000000 ] - [ -0.0027335300000000, -0.0010804700000000, -0.0020585000000000 ] - [ 0.0056736900000000, -0.0163672500000000, 0.0112197500000000 ] - [ 0.0039646500000000, -0.0023279800000000, -0.0091809500000000 ] - [ 0.0026303900000000, 0.0008000000000000, -0.0020862100000000 ] - [ -0.0035885400000000, -0.0006731900000000, -0.0030477400000000 ] - [ 0.0015627700000000, 0.0009567900000000, 0.0035676500000000 ] - [ 0.0004453900000000, 0.0001113300000000, 0.0018366400000000 ] - [ -0.0005570700000000, -0.0000974800000000, 0.0003836400000000 ] - [ -0.0018577500000000, 0.0000893800000000, 0.0018135400000000 ] - [ -0.0000191000000000, -0.0002456700000000, 0.0010989700000000 ] - [ -0.0006900800000000, -0.0000286400000000, 0.0014170300000000 ] - [ -0.0011168800000000, -0.0002535500000000, 0.0023730900000000 ] - [ -0.0002341500000000, -0.0000415500000000, 0.0017506700000000 ] - [ -0.0005775800000000, 0.0000013000000000, 0.0011995200000000 ] - [ -0.0000147100000000, 0.0002422200000000, 0.0010831800000000 ] - [ -0.0001477900000000, 0.0000035100000000, 0.0014187000000000 ] - [ -0.0001779300000000, 0.0000509200000000, 0.0016455000000000 ] - [ 0.0000504500000000, 0.0000581200000000, 0.0015203900000000 ] - [ 0.0001230000000000, -0.0000009600000000, 0.0015439500000000 ] - [ 0.0000926800000000, -0.0000042600000000, 0.0019092100000000 ] - [ 0.0000560200000000, -0.0000614200000000, 0.0015068700000000 ] - [ 0.0001448200000000, -0.0000111000000000, 0.0014782800000000 ] - [ -0.0002613300000000, 0.0000183400000000, 0.0015830100000000 ] - [ -0.0002518700000000, 0.0000030200000000, 0.0011118600000000 ] - [ 0.0001986400000000, 0.0000188700000000, 0.0015431400000000 ] - [ -0.0016052200000000, -0.0002371100000000, 0.0015580100000000 ] - [ 0.0003540900000000, -0.0000498900000000, 0.0015811600000000 ] - [ 0.0002100700000000, -0.0000047500000000, 0.0017712500000000 ] - [ -0.0001306600000000, -0.0000607300000000, 0.0008425000000000 ] - [ 0.0030856600000000, 0.0044537800000000, 0.0057886300000000 ] - [ 0.0010050400000000, 0.0001332200000000, 0.0024650500000000 ] - [ -0.0000767600000000, 0.0000329000000000, 0.0007397500000000 ] - [ 0.0000791700000000, -0.0000836800000000, 0.0001478100000000 ] - [ 0.0013850500000000, 0.0002354500000000, -0.0033026100000000 ] - [ -0.0002265100000000, 0.0004012300000000, -0.0021107800000000 ] - [ 0.0006774100000000, 0.0000386600000000, -0.0000513600000000 ] - [ -0.0009045200000000, -0.0006044200000000, -0.0025217900000000 ] - [ 0.0021338200000000, -0.0001270900000000, -0.0015221200000000 ] - [ 0.0009352900000000, -0.0002500800000000, -0.0033896900000000 ] - [ 0.0015976500000000, 0.0005575800000000, -0.0058038000000000 ] - [ 0.0022823500000000, 0.0001239900000000, -0.0012047300000000 ] - [ 0.0002862200000000, 0.0005601500000000, -0.0022388000000000 ] - [ 0.0002606200000000, -0.0002010200000000, -0.0088964400000000 ] - [ -0.0172022300000000, -0.0021733200000000, 0.0088995200000000 ] - [ 0.0030823200000000, -0.0007468500000000, -0.0013823800000000 ]- atom: 85 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0004678000000000, -0.0003799200000000, -0.0001255900000000 ] - [ -0.0003374800000000, 0.0002097200000000, 0.0008526400000000 ] - [ -0.0009272900000000, -0.0000881700000000, 0.0025650300000000 ] - [ -0.0002708900000000, -0.0000073700000000, 0.0017396400000000 ] - [ 0.0015124300000000, 0.0000268800000000, 0.0016058100000000 ] - [ 0.0001952500000000, 0.0000118300000000, 0.0025270100000000 ] - [ 0.0002796800000000, 0.0000236000000000, 0.0023428900000000 ] - [ 0.0001901100000000, -0.0000113400000000, 0.0025251500000000 ] - [ -0.0003126300000000, -0.0000328200000000, 0.0020778600000000 ] - [ 0.0001231600000000, -0.0000031400000000, 0.0026103600000000 ] - [ 0.0003181200000000, 0.0000944500000000, 0.0020215400000000 ] - [ -0.0037239600000000, -0.0033291100000000, 0.0013653600000000 ] - [ 0.0002345000000000, 0.0000001200000000, 0.0021482700000000 ] - [ -0.0002749000000000, -0.0003135800000000, 0.0017440700000000 ] - [ 0.0002881400000000, -0.0000944600000000, 0.0019916700000000 ] - [ 0.0004656300000000, -0.0000287300000000, 0.0018675400000000 ] - [ -0.0001707200000000, 0.0014068700000000, 0.0079906600000000 ] - [ -0.0038344200000000, -0.0015087400000000, -0.0294603800000000 ] - [ -0.0009766100000000, -0.0003626400000000, -0.0064624900000000 ] - [ 0.0109065400000000, 0.0256003000000000, -0.0472618400000000 ] - [ -0.0039516700000000, -0.0016322800000000, 0.0035255800000000 ] - [ 0.0047210100000000, 0.0008300400000000, -0.0130070800000000 ] - [ 0.0094640800000000, -0.0021882500000000, -0.0041128000000000 ] - [ -0.0051241100000000, -0.0037613600000000, 0.0030891400000000 ] - [ -0.0002074800000000, -0.0013712900000000, 0.0085289400000000 ] - [ -0.0003649800000000, 0.0003220400000000, 0.0028134700000000 ] - [ 0.0018606800000000, -0.0000303400000000, 0.0017609700000000 ] - [ -0.0000513100000000, -0.0000105300000000, 0.0019631200000000 ] - [ -0.0011957500000000, 0.0000919800000000, 0.0021388800000000 ] - [ 0.0001523500000000, 0.0000192800000000, 0.0026316000000000 ] - [ -0.0002391200000000, 0.0000289900000000, 0.0026545300000000 ] - [ 0.0001481000000000, -0.0000189000000000, 0.0026280700000000 ] - [ -0.0001248900000000, -0.0000488000000000, 0.0027447500000000 ] - [ 0.0000307900000000, -0.0000025800000000, 0.0025457700000000 ] - [ 0.0000453900000000, 0.0000186300000000, 0.0017337300000000 ] - [ 0.0047661200000000, -0.0003274500000000, 0.0007148900000000 ] - [ 0.0002692600000000, -0.0000002000000000, 0.0022647700000000 ] - [ -0.0000453500000000, -0.0002486200000000, 0.0033395500000000 ] - [ 0.0000141500000000, -0.0000175100000000, 0.0017024500000000 ] - [ -0.0000329100000000, -0.0000234600000000, 0.0021912400000000 ] - [ 0.0004807500000000, 0.0000120400000000, -0.0005331000000000 ] - [ 0.0014075300000000, -0.0001076600000000, -0.0051582000000000 ] - [ -0.0040444900000000, -0.0005451300000000, -0.0291925200000000 ] - [ 0.0016736300000000, 0.0000815300000000, -0.0051907100000000 ] - [ 0.0000602000000000, -0.0000188600000000, -0.0006424600000000 ] - [ -0.0041143500000000, 0.0003026000000000, -0.0087845400000000 ] - [ -0.0061155900000000, 0.0044505500000000, -0.0066272300000000 ] - [ 0.0021723000000000, 0.0001059400000000, -0.0009520500000000 ] - [ -0.0001769100000000, -0.0000004700000000, 0.0014534700000000 ] - [ 0.0011901300000000, 0.0001512200000000, 0.0018651300000000 ] - [ -0.0127821000000000, -0.0212383100000000, -0.0169220400000000 ] - [ -0.0002873900000000, 0.0000247900000000, 0.0019191800000000 ] - [ -0.0000989500000000, 0.0000000700000000, 0.0014201200000000 ] - [ -0.0008196000000000, 0.0003043700000000, 0.0016765400000000 ] - [ 0.0009540200000000, -0.0003157800000000, -0.0037783000000000 ] - [ 0.0002944400000000, 0.0000188000000000, 0.0010335300000000 ] - [ 0.0008702800000000, -0.0001109000000000, -0.0007448000000000 ] - [ 0.0003032800000000, -0.0000453100000000, -0.0019072800000000 ] - [ -0.0011189800000000, 0.0006444400000000, -0.0022074600000000 ] - [ -0.0009103400000000, 0.0000064200000000, -0.0007706600000000 ] - [ -0.0004239500000000, -0.0000161500000000, -0.0017679500000000 ] - [ -0.0006215900000000, 0.0000668400000000, -0.0016540300000000 ] - [ -0.0008997900000000, -0.0000084700000000, -0.0004319200000000 ] - [ -0.0001237800000000, 0.0000672600000000, -0.0013800500000000 ] - [ -0.0003307100000000, -0.0000013100000000, -0.0019212100000000 ] - [ -0.0004231600000000, 0.0000196800000000, -0.0017494000000000 ] - [ 0.0000276600000000, -0.0000020300000000, -0.0017045000000000 ] - [ -0.0001941900000000, -0.0000830200000000, -0.0013141300000000 ] - [ 0.0000637800000000, 0.0000237700000000, -0.0016145800000000 ] - [ 0.0002811800000000, 0.0000011400000000, -0.0016960600000000 ] - [ 0.0004757300000000, 0.0000029600000000, -0.0015283600000000 ] - [ 0.0000599400000000, -0.0000209900000000, -0.0016041500000000 ] - [ -0.0003035000000000, -0.0002789100000000, -0.0015019700000000 ] - [ -0.0003081900000000, -0.0000203100000000, -0.0016028800000000 ] - [ -0.0002020300000000, -0.0000021100000000, -0.0019335000000000 ] - [ -0.0002509400000000, 0.0002859000000000, -0.0014317200000000 ] - [ -0.0014413400000000, 0.0002816500000000, -0.0032790500000000 ] - [ 0.0003732900000000, 0.0000414300000000, -0.0017256500000000 ] - [ 0.0001732800000000, 0.0000061000000000, -0.0019845500000000 ] - [ -0.0000497300000000, 0.0000052000000000, -0.0024430100000000 ] - [ 0.0010113300000000, 0.0005259500000000, 0.0018716200000000 ] - [ 0.0006787400000000, 0.0001536700000000, -0.0002554000000000 ] - [ -0.0000719000000000, 0.0000144800000000, -0.0023577800000000 ] - [ 0.0003486000000000, -0.0003056300000000, -0.0024849400000000 ] - [ 0.0149642800000000, -0.0052942100000000, 0.1572192600000000 ] - [ -0.0048119900000000, 0.0104284800000000, -0.0130239900000000 ] - [ 0.0012583900000000, 0.0006836200000000, -0.0025783800000000 ] - [ -0.0089732400000000, -0.0155670800000000, -0.0205340700000000 ] - [ 0.0118917100000000, 0.0004485100000000, -0.0098009200000000 ] - [ 0.0032697600000000, -0.0006805500000000, 0.0153790300000000 ] - [ -0.0057011000000000, -0.0035028700000000, 0.0128910500000000 ] - [ 0.0027388100000000, 0.0007130000000000, 0.0030049800000000 ] - [ -0.0054613800000000, 0.0161114900000000, -0.0103861300000000 ] - [ -0.0034865500000000, 0.0022979500000000, 0.0093022000000000 ] - [ -0.0027617500000000, -0.0005482500000000, 0.0030183400000000 ] - [ 0.0034433100000000, 0.0004242700000000, 0.0039853400000000 ] - [ -0.0015694000000000, -0.0008728700000000, -0.0033382800000000 ] - [ -0.0006464800000000, -0.0001100300000000, -0.0023606100000000 ] - [ 0.0005403400000000, 0.0000242800000000, -0.0001769800000000 ] - [ 0.0011629700000000, -0.0000913100000000, -0.0028362700000000 ] - [ -0.0002416600000000, 0.0000202500000000, -0.0017707300000000 ] - [ 0.0002991400000000, 0.0000288800000000, -0.0014028100000000 ] - [ 0.0006723900000000, 0.0002557100000000, -0.0025112800000000 ] - [ 0.0000634800000000, 0.0000574800000000, -0.0020836800000000 ] - [ -0.0003243900000000, -0.0000010000000000, -0.0019439900000000 ] - [ -0.0002459100000000, -0.0000163200000000, -0.0017549800000000 ] - [ -0.0000152500000000, -0.0000032400000000, -0.0018796700000000 ] - [ 0.0000079200000000, -0.0000662700000000, -0.0019788600000000 ] - [ -0.0000999000000000, 0.0000273200000000, -0.0016364900000000 ] - [ 0.0002715300000000, 0.0000012000000000, -0.0017090900000000 ] - [ 0.0004848300000000, 0.0000044600000000, -0.0016926400000000 ] - [ -0.0001054100000000, -0.0000235400000000, -0.0016226400000000 ] - [ -0.0002503300000000, -0.0002859800000000, -0.0014340500000000 ] - [ 0.0001590100000000, -0.0000181800000000, -0.0014583800000000 ] - [ -0.0001130300000000, -0.0000027500000000, -0.0017974300000000 ] - [ -0.0003043500000000, 0.0002787200000000, -0.0014991000000000 ] - [ 0.0015756200000000, 0.0001522000000000, -0.0012589900000000 ] - [ -0.0000898300000000, 0.0000507200000000, -0.0020716200000000 ] - [ 0.0001313100000000, 0.0000050600000000, -0.0022144700000000 ] - [ -0.0000475600000000, -0.0000005300000000, -0.0018600700000000 ] - [ -0.0029031500000000, -0.0045220600000000, -0.0055359000000000 ] - [ -0.0010527900000000, -0.0000487400000000, -0.0021707600000000 ] - [ -0.0001013700000000, 0.0000289200000000, -0.0017562400000000 ] - [ -0.0004702200000000, 0.0000844700000000, -0.0005386700000000 ] - [ -0.0013460900000000, 0.0000886400000000, 0.0037107600000000 ] - [ 0.0010423000000000, -0.0004050700000000, 0.0024241200000000 ] - [ -0.0005537500000000, -0.0000387600000000, -0.0002120800000000 ] - [ 0.0008136300000000, 0.0006009200000000, 0.0032534200000000 ] - [ -0.0021601800000000, 0.0005009600000000, 0.0024572100000000 ] - [ -0.0008959600000000, -0.0000756400000000, 0.0037989900000000 ] - [ -0.0014341000000000, -0.0005495600000000, 0.0069233900000000 ] - [ -0.0023092700000000, -0.0004973900000000, 0.0021352500000000 ] - [ -0.0001692000000000, -0.0005567100000000, 0.0029011600000000 ] - [ 0.0000661200000000, 0.0002329300000000, 0.0089855700000000 ] - [ 0.0168630300000000, 0.0024118100000000, -0.0078635500000000 ] - [ -0.0032120700000000, 0.0004960900000000, 0.0023254600000000 ]- atom: 86 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0001398900000000, 0.0000000000000000, 0.0010424900000000 ] - [ -0.0002369800000000, 0.0000000000000000, -0.0000437100000000 ] - [ 0.0002830200000000, 0.0000675600000000, 0.0001917100000000 ] - [ -0.0001321600000000, 0.0000000000000000, -0.0001942000000000 ] - [ -0.0001529400000000, -0.0000522100000000, -0.0000195700000000 ] - [ -0.0000139200000000, 0.0000039900000000, 0.0001840900000000 ] - [ -0.0001435800000000, 0.0000000000000000, 0.0002178400000000 ] - [ -0.0000139200000000, -0.0000039900000000, 0.0001840900000000 ] - [ -0.0001548900000000, 0.0000000000000000, 0.0002512700000000 ] - [ 0.0001322700000000, 0.0000000000000000, -0.0000887800000000 ] - [ 0.0010586400000000, -0.0002337400000000, -0.0008322600000000 ] - [ -0.0116406700000000, 0.0000000000000000, 0.0037974000000000 ] - [ 0.0002020300000000, 0.0000000000000000, 0.0000668400000000 ] - [ -0.0035678900000000, 0.0000000000000000, -0.0000476500000000 ] - [ 0.0010586400000000, 0.0002337400000000, -0.0008322600000000 ] - [ -0.0002172900000000, 0.0000000000000000, -0.0004593500000000 ] - [ 0.0268212900000000, 0.0021291100000000, -0.0008123200000000 ] - [ 0.0072598300000000, 0.0000000000000000, 0.0009338200000000 ] - [ -0.0017885900000000, 0.0026182700000000, 0.0042914500000000 ] - [ 0.0179698000000000, 0.0000000000000000, -0.0052463200000000 ] - [ 0.0268212900000000, -0.0021291100000000, -0.0008123200000000 ] - [ -0.0008204700000000, -0.0003446000000000, -0.0023138400000000 ] - [ 0.0733646500000000, 0.0000000000000000, -0.0177877900000000 ] - [ 0.0019624200000000, 0.0000000000000000, -0.0002067900000000 ] - [ 0.0004562700000000, 0.0000000000000000, -0.0004324700000000 ] - [ 0.0001650000000000, 0.0000000000000000, -0.0004960800000000 ] - [ -0.0001529400000000, 0.0000522100000000, -0.0000195700000000 ] - [ -0.0001012200000000, 0.0000000000000000, -0.0002993400000000 ] - [ 0.0002830200000000, -0.0000675600000000, 0.0001917100000000 ] - [ -0.0000021000000000, 0.0000046900000000, 0.0000942700000000 ] - [ -0.0000440000000000, 0.0000000000000000, 0.0002000400000000 ] - [ -0.0000021000000000, -0.0000046900000000, 0.0000942700000000 ] - [ -0.0000518100000000, 0.0000000000000000, 0.0001068700000000 ] - [ -0.0001081000000000, 0.0000000000000000, 0.0002876600000000 ] - [ -0.0006648200000000, 0.0002031300000000, 0.0002460900000000 ] - [ 0.0034256900000000, 0.0000000000000000, -0.0053636200000000 ] - [ 0.0003975500000000, 0.0000000000000000, -0.0000206600000000 ] - [ 0.0057080200000000, 0.0000000000000000, -0.0027075500000000 ] - [ -0.0006648200000000, -0.0002031300000000, 0.0002460900000000 ] - [ 0.0006751100000000, 0.0000000000000000, 0.0004157000000000 ] - [ -0.0091404000000000, -0.0006961800000000, -0.0029831500000000 ] - [ -0.0037312600000000, 0.0000000000000000, 0.0005267200000000 ] - [ -0.0008204700000000, 0.0003446000000000, -0.0023138400000000 ] - [ -0.0063010400000000, 0.0000000000000000, 0.0064488600000000 ] - [ -0.0091404000000000, 0.0006961800000000, -0.0029831500000000 ] - [ -0.0017885900000000, -0.0026182700000000, 0.0042914500000000 ] - [ -0.0076660400000000, 0.0000000000000000, -0.0055760700000000 ] - [ -0.0018377400000000, 0.0000000000000000, -0.0000323300000000 ] - [ 0.0000500700000000, 0.0000000000000000, 0.0000008400000000 ] - [ -0.0004126200000000, 0.0000000000000000, -0.0048214000000000 ] - [ 0.0058568200000000, 0.0000000000000000, 0.0020988600000000 ] - [ 0.0013818600000000, 0.0000000000000000, 0.0039106600000000 ] - [ -0.0002376700000000, 0.0000000000000000, -0.0002538800000000 ] - [ -0.0014389700000000, 0.0000000000000000, 0.0019459500000000 ] - [ -0.0042084000000000, 0.0000000000000000, -0.0000568100000000 ] - [ -0.0010030200000000, 0.0000000000000000, -0.0015479500000000 ] - [ -0.0000612800000000, -0.0000116300000000, -0.0002241100000000 ] - [ -0.0001617600000000, 0.0000000000000000, -0.0004330100000000 ] - [ 0.0000485200000000, -0.0000887200000000, 0.0003480400000000 ] - [ -0.0000673200000000, 0.0000000000000000, -0.0006279300000000 ] - [ -0.0001340500000000, -0.0001066700000000, -0.0004052500000000 ] - [ -0.0001205600000000, 0.0000000000000000, -0.0000037300000000 ] - [ 0.0001232600000000, 0.0000000000000000, -0.0001989600000000 ] - [ -0.0000160100000000, 0.0000087400000000, -0.0002779200000000 ] - [ -0.0004592200000000, 0.0000000000000000, -0.0004842900000000 ] - [ -0.0001340500000000, 0.0001066700000000, -0.0004052500000000 ] - [ -0.0000633200000000, 0.0000000000000000, -0.0003378200000000 ] - [ -0.0000160100000000, -0.0000087400000000, -0.0002779200000000 ] - [ -0.0001049500000000, 0.0000799800000000, -0.0004084000000000 ] - [ 0.0001502400000000, 0.0000000000000000, -0.0002171100000000 ] - [ 0.0003114800000000, 0.0000000000000000, -0.0000119900000000 ] - [ -0.0001049500000000, -0.0000799800000000, -0.0004084000000000 ] - [ -0.0001030400000000, -0.0001388600000000, -0.0000096300000000 ] - [ -0.0002230000000000, 0.0000000000000000, 0.0009293700000000 ] - [ -0.0004865600000000, 0.0000000000000000, -0.0003493400000000 ] - [ -0.0000332200000000, 0.0001674500000000, -0.0001032900000000 ] - [ -0.0042739500000000, -0.0044438100000000, 0.0072502500000000 ] - [ 0.0012705200000000, 0.0000000000000000, -0.0017542100000000 ] - [ 0.0005278300000000, 0.0000000000000000, -0.0004569700000000 ] - [ -0.0015609000000000, 0.0003463400000000, -0.0010096300000000 ] - [ 0.0066048900000000, 0.0000000000000000, 0.0004144300000000 ] - [ 0.0041396300000000, 0.0003067200000000, -0.0009149200000000 ] - [ -0.0015609000000000, -0.0003463400000000, -0.0010096300000000 ] - [ -0.0046987100000000, 0.0000000000000000, -0.0024015400000000 ] - [ -0.0031259500000000, -0.0016495100000000, 0.0058475700000000 ] - [ -0.1982305700000000, 0.0000000000000000, 0.0356098600000000 ] - [ 0.0106732700000000, 0.0000000000000000, -0.0246541100000000 ] - [ -0.0004235800000000, 0.0000000000000000, 0.0019473300000000 ] - [ 0.0213215900000000, -0.0155417100000000, 0.0014573000000000 ] - [ -0.0031259500000000, 0.0016495100000000, 0.0058475700000000 ] - [ 0.0014928700000000, 0.0000000000000000, 0.0040834100000000 ] - [ 0.0213215900000000, 0.0155417100000000, 0.0014573000000000 ] - [ -0.0005673300000000, 0.0000000000000000, 0.0018561200000000 ] - [ 0.0033206200000000, 0.0000000000000000, -0.0117939900000000 ] - [ 0.0014861100000000, -0.0000014000000000, 0.0012217000000000 ] - [ -0.0022831400000000, -0.0008857800000000, -0.0007072700000000 ] - [ 0.0000485200000000, 0.0000887200000000, 0.0003480400000000 ] - [ -0.0000424700000000, 0.0000000000000000, -0.0002541700000000 ] - [ -0.0000612800000000, 0.0000116300000000, -0.0002241100000000 ] - [ -0.0006186000000000, 0.0000000000000000, -0.0005150600000000 ] - [ -0.0001461300000000, -0.0001069200000000, -0.0004100400000000 ] - [ -0.0002470900000000, 0.0000000000000000, -0.0001382000000000 ] - [ -0.0005513800000000, 0.0000000000000000, -0.0002596000000000 ] - [ -0.0001633100000000, 0.0000251800000000, -0.0002199900000000 ] - [ -0.0004307700000000, 0.0000000000000000, -0.0004161400000000 ] - [ -0.0001461300000000, 0.0001069200000000, -0.0004100400000000 ] - [ -0.0000942300000000, 0.0000000000000000, -0.0002815700000000 ] - [ -0.0001633100000000, -0.0000251800000000, -0.0002199900000000 ] - [ 0.0000766400000000, 0.0000105500000000, 0.0001953900000000 ] - [ 0.0002589700000000, 0.0000000000000000, -0.0001139700000000 ] - [ 0.0002860600000000, 0.0000000000000000, 0.0000481100000000 ] - [ 0.0000766400000000, -0.0000105500000000, 0.0001953900000000 ] - [ -0.0000332200000000, -0.0001674500000000, -0.0001032900000000 ] - [ 0.0002217600000000, 0.0000000000000000, -0.0006316000000000 ] - [ 0.0000855000000000, 0.0000000000000000, -0.0004885200000000 ] - [ -0.0001030400000000, 0.0001388600000000, -0.0000096300000000 ] - [ 0.0041396300000000, -0.0003067200000000, -0.0009149200000000 ] - [ -0.0003037800000000, 0.0000000000000000, 0.0014714800000000 ] - [ -0.0002041200000000, 0.0000000000000000, -0.0003064600000000 ] - [ 0.0009137000000000, -0.0000975400000000, -0.0002303600000000 ] - [ -0.0099901900000000, 0.0000000000000000, 0.0009207900000000 ] - [ -0.0042739500000000, 0.0044438100000000, 0.0072502500000000 ] - [ 0.0009137000000000, 0.0000975400000000, -0.0002303600000000 ] - [ 0.0035178100000000, 0.0000000000000000, 0.0018576700000000 ] - [ 0.0029450800000000, -0.0002671400000000, -0.0008544900000000 ] - [ 0.0108825800000000, 0.0000000000000000, 0.0002404200000000 ] - [ 0.0031339700000000, 0.0000000000000000, 0.0030104600000000 ] - [ 0.0005554800000000, 0.0000000000000000, -0.0006895000000000 ] - [ 0.0128390800000000, -0.0082490800000000, 0.0010280600000000 ] - [ 0.0029450800000000, 0.0002671400000000, -0.0008544900000000 ] - [ -0.0001591800000000, 0.0000000000000000, -0.0021211900000000 ] - [ 0.0128390800000000, 0.0082490800000000, 0.0010280600000000 ] - [ 0.0021676500000000, 0.0000000000000000, -0.0016755500000000 ] - [ 0.0022385400000000, 0.0000000000000000, 0.0034190100000000 ] - [ -0.0022831400000000, 0.0008857800000000, -0.0007072700000000 ] - [ 0.0014861100000000, 0.0000014000000000, 0.0012217000000000 ]- atom: 86 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0004286500000000, 0.0000000000000000, -0.0004617300000000 ] - [ 0.0001125900000000, 0.0000000000000000, -0.0007392200000000 ] - [ -0.0001258200000000, 0.0000113700000000, -0.0002680100000000 ] - [ -0.0000973100000000, 0.0000000000000000, -0.0005221300000000 ] - [ 0.0003149400000000, -0.0000267300000000, -0.0000569800000000 ] - [ -0.0000239600000000, 0.0000043900000000, -0.0001746200000000 ] - [ -0.0000549600000000, 0.0000000000000000, -0.0000574300000000 ] - [ -0.0000239600000000, -0.0000043900000000, -0.0001746200000000 ] - [ -0.0000426700000000, 0.0000000000000000, -0.0001342000000000 ] - [ -0.0001392900000000, 0.0000000000000000, 0.0000360300000000 ] - [ -0.0008632600000000, 0.0000818900000000, 0.0000814500000000 ] - [ 0.0117762600000000, 0.0000000000000000, -0.0041596100000000 ] - [ 0.0004027300000000, 0.0000000000000000, -0.0002941300000000 ] - [ 0.0036329300000000, 0.0000000000000000, -0.0005912200000000 ] - [ -0.0008632600000000, -0.0000818900000000, 0.0000814500000000 ] - [ 0.0009158400000000, 0.0000000000000000, 0.0001310100000000 ] - [ -0.0265112300000000, -0.0024064300000000, 0.0005611600000000 ] - [ -0.0075609200000000, 0.0000000000000000, -0.0003397700000000 ] - [ 0.0015709800000000, -0.0023909700000000, -0.0033706400000000 ] - [ -0.0161189100000000, 0.0000000000000000, 0.0075630200000000 ] - [ -0.0265112300000000, 0.0024064300000000, 0.0005611600000000 ] - [ 0.0006412800000000, 0.0001098400000000, 0.0032660800000000 ] - [ -0.0784719600000000, 0.0000000000000000, 0.0208465500000000 ] - [ -0.0019137700000000, 0.0000000000000000, -0.0000439000000000 ] - [ -0.0001686600000000, 0.0000000000000000, 0.0010266800000000 ] - [ -0.0002904300000000, 0.0000000000000000, -0.0002830400000000 ] - [ 0.0003149400000000, 0.0000267300000000, -0.0000569800000000 ] - [ -0.0001277000000000, 0.0000000000000000, -0.0004166100000000 ] - [ -0.0001258200000000, -0.0000113700000000, -0.0002680100000000 ] - [ -0.0000368700000000, 0.0000036400000000, -0.0000850600000000 ] - [ -0.0001554900000000, 0.0000000000000000, -0.0000394000000000 ] - [ -0.0000368700000000, -0.0000036400000000, -0.0000850600000000 ] - [ -0.0001457400000000, 0.0000000000000000, 0.0000112000000000 ] - [ 0.0001034600000000, 0.0000000000000000, -0.0003380800000000 ] - [ 0.0008644400000000, -0.0003503600000000, -0.0009846500000000 ] - [ -0.0034755700000000, 0.0000000000000000, 0.0050428200000000 ] - [ 0.0002082800000000, 0.0000000000000000, -0.0002108100000000 ] - [ -0.0056191100000000, 0.0000000000000000, 0.0020086800000000 ] - [ 0.0008644400000000, 0.0003503600000000, -0.0009846500000000 ] - [ 0.0000428900000000, 0.0000000000000000, -0.0007526900000000 ] - [ 0.0092901800000000, 0.0007851800000000, 0.0030431100000000 ] - [ 0.0035026400000000, 0.0000000000000000, 0.0000454300000000 ] - [ 0.0006412800000000, -0.0001098400000000, 0.0032660800000000 ] - [ 0.0067362000000000, 0.0000000000000000, -0.0054129700000000 ] - [ 0.0092901800000000, -0.0007851800000000, 0.0030431100000000 ] - [ 0.0015709800000000, 0.0023909700000000, -0.0033706400000000 ] - [ 0.0080972800000000, 0.0000000000000000, 0.0063102400000000 ] - [ 0.0019080000000000, 0.0000000000000000, -0.0002282300000000 ] - [ -0.0002166600000000, 0.0000000000000000, -0.0004284200000000 ] - [ 0.0004285500000000, 0.0000000000000000, 0.0048865800000000 ] - [ -0.0056395000000000, 0.0000000000000000, -0.0010536200000000 ] - [ -0.0013930700000000, 0.0000000000000000, -0.0044526000000000 ] - [ 0.0000673100000000, 0.0000000000000000, -0.0001732900000000 ] - [ 0.0015151500000000, 0.0000000000000000, -0.0019010500000000 ] - [ 0.0044858300000000, 0.0000000000000000, 0.0010671400000000 ] - [ 0.0009660500000000, 0.0000000000000000, 0.0010363300000000 ] - [ 0.0000472300000000, 0.0000865700000000, 0.0004452200000000 ] - [ -0.0000417900000000, 0.0000000000000000, -0.0000852100000000 ] - [ -0.0000657300000000, 0.0000145200000000, -0.0001316100000000 ] - [ -0.0006209000000000, 0.0000000000000000, -0.0003904000000000 ] - [ -0.0001266100000000, -0.0001199200000000, -0.0002622900000000 ] - [ -0.0002698300000000, 0.0000000000000000, 0.0000263500000000 ] - [ -0.0005649400000000, 0.0000000000000000, 0.0000747700000000 ] - [ -0.0001540000000000, 0.0000072100000000, -0.0000483200000000 ] - [ -0.0004432000000000, 0.0000000000000000, -0.0002565000000000 ] - [ -0.0001266100000000, 0.0001199200000000, -0.0002622900000000 ] - [ -0.0001019600000000, 0.0000000000000000, -0.0001178400000000 ] - [ -0.0001540000000000, -0.0000072100000000, -0.0000483200000000 ] - [ 0.0000528100000000, 0.0000047700000000, 0.0002955000000000 ] - [ 0.0002426200000000, 0.0000000000000000, 0.0000545800000000 ] - [ 0.0002650500000000, 0.0000000000000000, 0.0002327100000000 ] - [ 0.0000528100000000, -0.0000047700000000, 0.0002955000000000 ] - [ -0.0000013600000000, -0.0001582800000000, 0.0000574900000000 ] - [ 0.0001263300000000, 0.0000000000000000, -0.0007955300000000 ] - [ 0.0001218800000000, 0.0000000000000000, -0.0003312400000000 ] - [ -0.0000720000000000, 0.0001295400000000, 0.0001497200000000 ] - [ 0.0043088300000000, 0.0043214800000000, -0.0068994500000000 ] - [ -0.0010098100000000, 0.0000000000000000, 0.0012651400000000 ] - [ -0.0001867000000000, 0.0000000000000000, 0.0000168500000000 ] - [ 0.0013763800000000, -0.0004077500000000, 0.0000023100000000 ] - [ -0.0064052500000000, 0.0000000000000000, -0.0001163600000000 ] - [ -0.0042001200000000, -0.0002233800000000, 0.0011980600000000 ] - [ 0.0013763800000000, 0.0004077500000000, 0.0000023100000000 ] - [ 0.0042804200000000, 0.0000000000000000, 0.0020072000000000 ] - [ 0.0031245600000000, 0.0019924200000000, -0.0055106900000000 ] - [ 0.2025218500000000, 0.0000000000000000, -0.0382443600000000 ] - [ -0.0105780100000000, 0.0000000000000000, 0.0241497200000000 ] - [ 0.0003291700000000, 0.0000000000000000, -0.0012156400000000 ] - [ -0.0210399300000000, 0.0156645500000000, -0.0005604300000000 ] - [ 0.0031245600000000, -0.0019924200000000, -0.0055106900000000 ] - [ -0.0013766500000000, 0.0000000000000000, -0.0029627000000000 ] - [ -0.0210399300000000, -0.0156645500000000, -0.0005604300000000 ] - [ 0.0006761400000000, 0.0000000000000000, -0.0011925200000000 ] - [ -0.0029337200000000, 0.0000000000000000, 0.0119930300000000 ] - [ -0.0016335800000000, 0.0002486400000000, -0.0002524100000000 ] - [ 0.0021614200000000, 0.0006419400000000, 0.0016801800000000 ] - [ -0.0000657300000000, -0.0000145200000000, -0.0001316100000000 ] - [ -0.0001628000000000, 0.0000000000000000, -0.0002651300000000 ] - [ 0.0000472300000000, -0.0000865700000000, 0.0004452200000000 ] - [ -0.0000655500000000, 0.0000000000000000, -0.0005060300000000 ] - [ -0.0001138600000000, -0.0001194200000000, -0.0002574700000000 ] - [ -0.0001417300000000, 0.0000000000000000, 0.0001614800000000 ] - [ 0.0001139100000000, 0.0000000000000000, 0.0001331500000000 ] - [ -0.0000059600000000, -0.0000093800000000, -0.0001072000000000 ] - [ -0.0004707700000000, 0.0000000000000000, -0.0003247700000000 ] - [ -0.0001138600000000, 0.0001194200000000, -0.0002574700000000 ] - [ -0.0000706300000000, 0.0000000000000000, -0.0001742500000000 ] - [ -0.0000059600000000, 0.0000093800000000, -0.0001072000000000 ] - [ -0.0001227700000000, 0.0000736800000000, -0.0003062400000000 ] - [ 0.0001356800000000, 0.0000000000000000, -0.0000485300000000 ] - [ 0.0002906900000000, 0.0000000000000000, 0.0001726300000000 ] - [ -0.0001227700000000, -0.0000736800000000, -0.0003062400000000 ] - [ -0.0000720000000000, -0.0001295400000000, 0.0001497200000000 ] - [ -0.0003320300000000, 0.0000000000000000, 0.0007578200000000 ] - [ -0.0004512200000000, 0.0000000000000000, -0.0001966700000000 ] - [ -0.0000013600000000, 0.0001582800000000, 0.0000574900000000 ] - [ -0.0042001200000000, 0.0002233800000000, 0.0011980600000000 ] - [ 0.0005748900000000, 0.0000000000000000, -0.0019376900000000 ] - [ 0.0005440800000000, 0.0000000000000000, -0.0001249800000000 ] - [ -0.0010909000000000, 0.0000355400000000, -0.0007939800000000 ] - [ 0.0102535300000000, 0.0000000000000000, -0.0006159300000000 ] - [ 0.0043088300000000, -0.0043214800000000, -0.0068994500000000 ] - [ -0.0010909000000000, -0.0000355400000000, -0.0007939800000000 ] - [ -0.0039094100000000, 0.0000000000000000, -0.0022869400000000 ] - [ -0.0029152800000000, 0.0005937600000000, 0.0012754100000000 ] - [ -0.0100813100000000, 0.0000000000000000, 0.0000420500000000 ] - [ -0.0029935200000000, 0.0000000000000000, -0.0033275500000000 ] - [ -0.0006442100000000, 0.0000000000000000, 0.0014465900000000 ] - [ -0.0130054500000000, 0.0087625700000000, -0.0001283700000000 ] - [ -0.0029152800000000, -0.0005937600000000, 0.0012754100000000 ] - [ 0.0003057500000000, 0.0000000000000000, 0.0032475100000000 ] - [ -0.0130054500000000, -0.0087625700000000, -0.0001283700000000 ] - [ -0.0020594700000000, 0.0000000000000000, 0.0023646900000000 ] - [ -0.0018542500000000, 0.0000000000000000, -0.0033215300000000 ] - [ 0.0021614200000000, -0.0006419400000000, 0.0016801800000000 ] - [ -0.0016335800000000, -0.0002486400000000, -0.0002524100000000 ]- atom: 86 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001440600000000, -0.0000304600000000, 0.0002970900000000 ] - [ -0.0000621800000000, 0.0000189800000000, -0.0003863300000000 ] - [ 0.0000913100000000, 0.0000406400000000, -0.0000159300000000 ] - [ -0.0001141700000000, -0.0000000700000000, -0.0003543300000000 ] - [ 0.0000657000000000, -0.0000392900000000, -0.0000413400000000 ] - [ -0.0000201900000000, 0.0000051600000000, 0.0000076400000000 ] - [ -0.0000991400000000, 0.0000019900000000, 0.0000845000000000 ] - [ -0.0000175900000000, -0.0000040100000000, 0.0000095400000000 ] - [ -0.0000987200000000, -0.0000031300000000, 0.0000629200000000 ] - [ -0.0000026400000000, -0.0000165000000000, -0.0000215200000000 ] - [ 0.0002352000000000, -0.0000842100000000, -0.0001975700000000 ] - [ 0.0000568300000000, 0.0045049600000000, -0.0001967300000000 ] - [ 0.0003029100000000, 0.0000019400000000, -0.0001114600000000 ] - [ 0.0000321200000000, 0.0002714900000000, -0.0003286300000000 ] - [ -0.0000400700000000, 0.0000631700000000, -0.0005360500000000 ] - [ 0.0003561900000000, 0.0000082600000000, -0.0001630000000000 ] - [ 0.0009311500000000, 0.0099801900000000, -0.0009081400000000 ] - [ -0.0001132000000000, 0.0037512000000000, 0.0003075000000000 ] - [ -0.0000357400000000, 0.0003111300000000, 0.0005007500000000 ] - [ 0.0002172500000000, 0.0188549000000000, 0.0005012700000000 ] - [ -0.0002201000000000, 0.0110417800000000, -0.0000551700000000 ] - [ -0.0024647200000000, -0.0002455200000000, -0.0010277800000000 ] - [ 0.0004444500000000, 0.0193352100000000, 0.0002413700000000 ] - [ 0.0000314100000000, -0.0004562100000000, -0.0001222600000000 ] - [ 0.0001449500000000, -0.0001030400000000, 0.0002975400000000 ] - [ -0.0000617400000000, 0.0000276600000000, -0.0003862900000000 ] - [ 0.0000945100000000, 0.0000399700000000, -0.0000269300000000 ] - [ -0.0001141800000000, -0.0000010600000000, -0.0003543100000000 ] - [ 0.0000684000000000, -0.0000386200000000, -0.0000515200000000 ] - [ -0.0000197000000000, 0.0000052800000000, 0.0000073200000000 ] - [ -0.0000991000000000, 0.0000021100000000, 0.0000845900000000 ] - [ -0.0000178000000000, -0.0000039900000000, 0.0000102100000000 ] - [ -0.0000985600000000, -0.0000034800000000, 0.0000629800000000 ] - [ -0.0000026300000000, -0.0000199200000000, -0.0000221400000000 ] - [ 0.0000988700000000, -0.0000762600000000, -0.0003804900000000 ] - [ 0.0000834000000000, -0.0077167000000000, -0.0001913100000000 ] - [ 0.0003026500000000, 0.0000033300000000, -0.0001110600000000 ] - [ 0.0000265200000000, -0.0038608700000000, -0.0003213600000000 ] - [ 0.0000991300000000, 0.0000734700000000, -0.0003580800000000 ] - [ 0.0003535700000000, -0.0002332800000000, -0.0001628900000000 ] - [ 0.0014795800000000, 0.0002702300000000, 0.0013341000000000 ] - [ -0.0001208700000000, -0.0001423100000000, 0.0002924600000000 ] - [ 0.0022602000000000, -0.0000065900000000, 0.0019790300000000 ] - [ 0.0002116100000000, -0.0031242900000000, 0.0005378100000000 ] - [ -0.0013568600000000, 0.0001870000000000, -0.0013276000000000 ] - [ -0.0001910600000000, 0.0000471200000000, 0.0004522500000000 ] - [ 0.0001931200000000, -0.0067278300000000, 0.0003736400000000 ] - [ 0.0000297200000000, 0.0000217200000000, -0.0001235800000000 ] - [ -0.0000843600000000, 0.0000151100000000, -0.0002115400000000 ] - [ 0.0000305400000000, 0.0027871800000000, 0.0000185100000000 ] - [ 0.0001249000000000, -0.0068026900000000, 0.0004671900000000 ] - [ -0.0000149000000000, 0.0001207200000000, -0.0002689600000000 ] - [ -0.0000836100000000, 0.0000076800000000, -0.0002116200000000 ] - [ 0.0000264400000000, -0.0002405200000000, 0.0000180300000000 ] - [ 0.0001304600000000, 0.0004619700000000, 0.0005064000000000 ] - [ -0.0000082700000000, -0.0002314800000000, -0.0002590300000000 ] - [ 0.0000062800000000, 0.0000339600000000, 0.0000837000000000 ] - [ -0.0001017900000000, -0.0000036600000000, -0.0002621300000000 ] - [ 0.0000126900000000, -0.0000444400000000, 0.0001549900000000 ] - [ -0.0003423900000000, -0.0000002900000000, -0.0005123100000000 ] - [ -0.0001306300000000, -0.0001130600000000, -0.0003368400000000 ] - [ -0.0001943100000000, 0.0000060500000000, 0.0000090300000000 ] - [ -0.0002193200000000, 0.0000007200000000, -0.0000667300000000 ] - [ -0.0000817500000000, 0.0000076100000000, -0.0001687800000000 ] - [ -0.0004502600000000, -0.0000014300000000, -0.0003739700000000 ] - [ -0.0001306000000000, 0.0001136600000000, -0.0003347900000000 ] - [ -0.0000822400000000, -0.0000003200000000, -0.0002297000000000 ] - [ -0.0000875300000000, -0.0000086200000000, -0.0001629500000000 ] - [ 0.0000095300000000, 0.0000515700000000, -0.0000914800000000 ] - [ 0.0001975600000000, 0.0000024300000000, -0.0000845300000000 ] - [ 0.0002890000000000, 0.0000006700000000, 0.0001068000000000 ] - [ -0.0000574000000000, -0.0000323500000000, -0.0000265600000000 ] - [ -0.0000520800000000, -0.0001495800000000, 0.0000163400000000 ] - [ -0.0000524200000000, -0.0002954700000000, 0.0000602000000000 ] - [ -0.0001818000000000, -0.0000227200000000, -0.0003449200000000 ] - [ -0.0000552200000000, 0.0001480200000000, 0.0000243700000000 ] - [ -0.0019733600000000, 0.0062940000000000, -0.0077803700000000 ] - [ 0.0001310300000000, -0.0000355100000000, -0.0002409900000000 ] - [ 0.0001702000000000, -0.0000078000000000, -0.0002207900000000 ] - [ 0.0001860500000000, 0.0000763200000000, -0.0008996600000000 ] - [ 0.0001095400000000, -0.0014893800000000, 0.0001567700000000 ] - [ 0.0002842300000000, -0.0001830200000000, -0.0004434700000000 ] - [ -0.0003601000000000, 0.0001404300000000, -0.0001211100000000 ] - [ -0.0001834200000000, 0.0021622400000000, -0.0002113700000000 ] - [ -0.0045157100000000, 0.0012329400000000, -0.0095605800000000 ] - [ -0.0004963900000000, -0.1094791600000000, 0.0013572800000000 ] - [ 0.0000199700000000, -0.0055639000000000, -0.0000837900000000 ] - [ -0.0000447100000000, -0.0012210900000000, 0.0003734700000000 ] - [ -0.0132445100000000, 0.0055773400000000, 0.0006931100000000 ] - [ 0.0045613900000000, 0.0008736200000000, 0.0100132700000000 ] - [ 0.0000632300000000, -0.0017832900000000, 0.0005559400000000 ] - [ 0.0133538000000000, 0.0051883100000000, 0.0002175800000000 ] - [ 0.0000552500000000, 0.0015446300000000, 0.0003354300000000 ] - [ 0.0002285800000000, -0.0037025000000000, 0.0000079000000000 ] - [ -0.0001063300000000, 0.0001213200000000, 0.0004760200000000 ] - [ -0.0006093700000000, -0.0000730500000000, 0.0008206200000000 ] - [ -0.0000287100000000, 0.0000293700000000, 0.0000587200000000 ] - [ -0.0001019500000000, -0.0000090200000000, -0.0002620700000000 ] - [ -0.0000212000000000, -0.0000397000000000, 0.0001301900000000 ] - [ -0.0003424200000000, -0.0000075400000000, -0.0005127400000000 ] - [ -0.0001303900000000, -0.0001129700000000, -0.0003368100000000 ] - [ -0.0001942400000000, 0.0000027300000000, 0.0000089500000000 ] - [ -0.0002196900000000, 0.0000186400000000, -0.0000671800000000 ] - [ -0.0000823200000000, 0.0000077600000000, -0.0001702500000000 ] - [ -0.0004503800000000, -0.0000015500000000, -0.0003740200000000 ] - [ -0.0001308000000000, 0.0001136400000000, -0.0003348800000000 ] - [ -0.0000822100000000, -0.0000003200000000, -0.0002298200000000 ] - [ -0.0000871500000000, -0.0000084000000000, -0.0001617400000000 ] - [ -0.0000459800000000, 0.0000550800000000, -0.0000971700000000 ] - [ 0.0001973000000000, 0.0000036500000000, -0.0000844800000000 ] - [ 0.0002889400000000, 0.0000006800000000, 0.0001067100000000 ] - [ -0.0000035900000000, -0.0000291800000000, -0.0000225400000000 ] - [ -0.0000501100000000, -0.0001501700000000, 0.0000159000000000 ] - [ -0.0000512600000000, 0.0000429400000000, 0.0000621900000000 ] - [ -0.0001821600000000, 0.0000092900000000, -0.0003443100000000 ] - [ -0.0000532900000000, 0.0001487200000000, 0.0000234900000000 ] - [ -0.0003329800000000, -0.0002663900000000, 0.0007427200000000 ] - [ 0.0001325400000000, 0.0008837900000000, -0.0002478500000000 ] - [ 0.0001711600000000, 0.0000359000000000, -0.0002215500000000 ] - [ -0.0001066700000000, -0.0000459100000000, -0.0004609200000000 ] - [ 0.0000953300000000, 0.0397515400000000, 0.0001364700000000 ] - [ 0.0018993300000000, 0.0063762300000000, 0.0079939100000000 ] - [ -0.0000740700000000, 0.0000152400000000, -0.0005576200000000 ] - [ -0.0001965400000000, -0.0007233200000000, -0.0001990400000000 ] - [ -0.0000617200000000, 0.0002729000000000, 0.0006247700000000 ] - [ 0.0004063300000000, 0.0020211700000000, 0.0001484900000000 ] - [ 0.0000603600000000, 0.0014123400000000, -0.0001342900000000 ] - [ -0.0000440700000000, 0.0000775200000000, 0.0003736100000000 ] - [ -0.0072560600000000, 0.0034804600000000, -0.0000889000000000 ] - [ 0.0001049600000000, -0.0000486400000000, -0.0002140800000000 ] - [ 0.0000630500000000, 0.0009787600000000, 0.0005632200000000 ] - [ 0.0071800900000000, 0.0031149400000000, 0.0010019500000000 ] - [ 0.0000641000000000, -0.0000274000000000, 0.0003330400000000 ] - [ 0.0001998300000000, 0.0011477000000000, 0.0000443000000000 ] - [ 0.0004693900000000, 0.0001817100000000, 0.0001392400000000 ] - [ -0.0000324700000000, -0.0001265800000000, 0.0004896800000000 ]- atom: 86 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0004034400000000, 0.0000000000000000, -0.0013816900000000 ] - [ 0.0000577100000000, 0.0000000000000000, -0.0023865800000000 ] - [ 0.0003329100000000, 0.0000264700000000, -0.0023283400000000 ] - [ -0.0000526700000000, 0.0000000000000000, -0.0024905000000000 ] - [ -0.0002473700000000, -0.0000283200000000, -0.0020505500000000 ] - [ -0.0001555500000000, -0.0000002800000000, -0.0025011500000000 ] - [ -0.0002420200000000, 0.0000000000000000, -0.0022759500000000 ] - [ -0.0001555500000000, 0.0000002800000000, -0.0025011500000000 ] - [ 0.0000496200000000, 0.0000000000000000, -0.0021749200000000 ] - [ -0.0001874400000000, 0.0000000000000000, -0.0027147600000000 ] - [ -0.0000974200000000, -0.0005781200000000, -0.0032908400000000 ] - [ 0.0049631000000000, 0.0000000000000000, 0.0098978200000000 ] - [ 0.0002985700000000, 0.0000000000000000, -0.0022048500000000 ] - [ 0.0004207900000000, 0.0000000000000000, 0.0000851300000000 ] - [ -0.0000974200000000, 0.0005781200000000, -0.0032908400000000 ] - [ -0.0005942300000000, 0.0000000000000000, -0.0017417200000000 ] - [ 0.0046209600000000, -0.0020503600000000, 0.0239355800000000 ] - [ 0.0023148700000000, 0.0000000000000000, -0.0065969900000000 ] - [ 0.0029039600000000, -0.0028661600000000, -0.0004510400000000 ] - [ -0.0043079800000000, 0.0000000000000000, 0.0240178800000000 ] - [ 0.0046209600000000, 0.0020503600000000, 0.0239355800000000 ] - [ -0.0062786100000000, -0.0001539400000000, -0.0014445300000000 ] - [ -0.0082782100000000, 0.0000000000000000, 0.0308494400000000 ] - [ 0.0011701000000000, 0.0000000000000000, -0.0036365600000000 ] - [ -0.0000141900000000, 0.0000000000000000, -0.0029733300000000 ] - [ -0.0001218100000000, 0.0000000000000000, -0.0027791500000000 ] - [ -0.0002473700000000, 0.0000283200000000, -0.0020505500000000 ] - [ -0.0000898600000000, 0.0000000000000000, -0.0025352400000000 ] - [ 0.0003329100000000, -0.0000264700000000, -0.0023283400000000 ] - [ -0.0002485800000000, -0.0000118900000000, -0.0025720700000000 ] - [ -0.0001673100000000, 0.0000000000000000, -0.0023670900000000 ] - [ -0.0002485800000000, 0.0000118900000000, -0.0025720700000000 ] - [ -0.0000473900000000, 0.0000000000000000, -0.0023265400000000 ] - [ 0.0000823800000000, 0.0000000000000000, -0.0024640300000000 ] - [ 0.0004264800000000, -0.0002915300000000, -0.0019656100000000 ] - [ -0.0048810100000000, 0.0000000000000000, 0.0104755200000000 ] - [ 0.0003917400000000, 0.0000000000000000, -0.0026235400000000 ] - [ 0.0044266900000000, 0.0000000000000000, -0.0057415500000000 ] - [ 0.0004264800000000, 0.0002915300000000, -0.0019656100000000 ] - [ 0.0015573300000000, 0.0000000000000000, -0.0026108500000000 ] - [ -0.0009615100000000, 0.0001694000000000, 0.0048080500000000 ] - [ -0.0011370400000000, 0.0000000000000000, 0.0009848500000000 ] - [ -0.0062786100000000, 0.0001539400000000, -0.0014445300000000 ] - [ 0.0005122900000000, 0.0000000000000000, 0.0078723000000000 ] - [ -0.0009615100000000, -0.0001694000000000, 0.0048080500000000 ] - [ 0.0029039600000000, 0.0028661600000000, -0.0004510400000000 ] - [ -0.0015451500000000, 0.0000000000000000, 0.0059941300000000 ] - [ 0.0000972200000000, 0.0000000000000000, -0.0017161700000000 ] - [ 0.0001481700000000, 0.0000000000000000, -0.0018966400000000 ] - [ -0.0046568100000000, 0.0000000000000000, -0.0035704300000000 ] - [ 0.0027621100000000, 0.0000000000000000, 0.0047254700000000 ] - [ 0.0006835100000000, 0.0000000000000000, -0.0043225200000000 ] - [ -0.0002529800000000, 0.0000000000000000, -0.0017988600000000 ] - [ 0.0016720500000000, 0.0000000000000000, 0.0006747300000000 ] - [ -0.0004958700000000, 0.0000000000000000, 0.0037740600000000 ] - [ -0.0016318600000000, 0.0000000000000000, -0.0006562600000000 ] - [ -0.0000993100000000, 0.0002438200000000, 0.0013208800000000 ] - [ -0.0001738300000000, 0.0000000000000000, 0.0014847700000000 ] - [ 0.0004297800000000, -0.0003423400000000, 0.0017153500000000 ] - [ -0.0004740100000000, 0.0000000000000000, 0.0005680200000000 ] - [ 0.0000691000000000, -0.0002276900000000, 0.0010679200000000 ] - [ -0.0001797500000000, 0.0000000000000000, 0.0015409400000000 ] - [ -0.0001839600000000, 0.0000000000000000, 0.0014978500000000 ] - [ -0.0000756800000000, -0.0000744900000000, 0.0012951500000000 ] - [ -0.0006200000000000, 0.0000000000000000, 0.0011722100000000 ] - [ 0.0000691000000000, 0.0002276900000000, 0.0010679200000000 ] - [ -0.0001829500000000, 0.0000000000000000, 0.0012860200000000 ] - [ -0.0000756800000000, 0.0000744900000000, 0.0012951500000000 ] - [ -0.0003476800000000, 0.0000254300000000, 0.0013906100000000 ] - [ 0.0000331200000000, 0.0000000000000000, 0.0015383300000000 ] - [ 0.0000865400000000, 0.0000000000000000, 0.0017849200000000 ] - [ -0.0003476800000000, -0.0000254300000000, 0.0013906100000000 ] - [ 0.0002179300000000, -0.0000237200000000, 0.0015711400000000 ] - [ 0.0007432200000000, 0.0000000000000000, 0.0020320800000000 ] - [ -0.0001532500000000, 0.0000000000000000, 0.0013658400000000 ] - [ 0.0001190500000000, 0.0000159300000000, 0.0014131500000000 ] - [ 0.0034144400000000, -0.0101535700000000, 0.0085969400000000 ] - [ -0.0009069200000000, 0.0000000000000000, 0.0009933600000000 ] - [ 0.0001402000000000, 0.0000000000000000, 0.0012500600000000 ] - [ -0.0006406700000000, -0.0003250400000000, 0.0017435300000000 ] - [ 0.0007608900000000, 0.0000000000000000, -0.0034337900000000 ] - [ -0.0014153300000000, -0.0006742700000000, -0.0022392900000000 ] - [ -0.0006406700000000, 0.0003250400000000, 0.0017435300000000 ] - [ -0.0029794600000000, 0.0000000000000000, -0.0028688100000000 ] - [ 0.0081860300000000, -0.0070119300000000, 0.0129326600000000 ] - [ 0.0071242600000000, 0.0000000000000000, -0.1338502200000000 ] - [ -0.0223462200000000, 0.0000000000000000, 0.0146234200000000 ] - [ 0.0012007600000000, 0.0000000000000000, 0.0036799600000000 ] - [ 0.0024225400000000, -0.0010429400000000, -0.0082349800000000 ] - [ 0.0081860300000000, 0.0070119300000000, 0.0129326600000000 ] - [ 0.0039582900000000, 0.0000000000000000, -0.0011246100000000 ] - [ 0.0024225400000000, 0.0010429400000000, -0.0082349800000000 ] - [ 0.0011808800000000, 0.0000000000000000, 0.0033705500000000 ] - [ -0.0086767800000000, 0.0000000000000000, 0.0064704000000000 ] - [ 0.0008159600000000, 0.0002197500000000, 0.0008108900000000 ] - [ -0.0012295300000000, 0.0007847700000000, 0.0022166500000000 ] - [ 0.0004297800000000, 0.0003423400000000, 0.0017153500000000 ] - [ 0.0000323400000000, 0.0000000000000000, 0.0015324600000000 ] - [ -0.0000993100000000, -0.0002438200000000, 0.0013208800000000 ] - [ -0.0008187000000000, 0.0000000000000000, 0.0010933300000000 ] - [ 0.0000567600000000, -0.0002308500000000, 0.0010765200000000 ] - [ -0.0003824000000000, 0.0000000000000000, 0.0015253000000000 ] - [ -0.0003611300000000, 0.0000000000000000, 0.0021444000000000 ] - [ -0.0000591900000000, -0.0000809400000000, 0.0014732000000000 ] - [ -0.0005334200000000, 0.0000000000000000, 0.0011695000000000 ] - [ 0.0000567600000000, 0.0002308500000000, 0.0010765200000000 ] - [ -0.0001399100000000, 0.0000000000000000, 0.0013473600000000 ] - [ -0.0000591900000000, 0.0000809400000000, 0.0014732000000000 ] - [ 0.0003147400000000, 0.0000079200000000, 0.0016018700000000 ] - [ 0.0002001200000000, 0.0000000000000000, 0.0015236700000000 ] - [ 0.0001100800000000, 0.0000000000000000, 0.0018489500000000 ] - [ 0.0003147400000000, -0.0000079200000000, 0.0016018700000000 ] - [ 0.0001190500000000, -0.0000159300000000, 0.0014131500000000 ] - [ -0.0006644600000000, 0.0000000000000000, 0.0009234500000000 ] - [ -0.0002713200000000, 0.0000000000000000, 0.0008371600000000 ] - [ 0.0002179300000000, 0.0000237200000000, 0.0015711400000000 ] - [ -0.0014153300000000, 0.0006742700000000, -0.0022392900000000 ] - [ 0.0008864200000000, 0.0000000000000000, 0.0030479900000000 ] - [ 0.0001031200000000, 0.0000000000000000, 0.0020897300000000 ] - [ 0.0001477200000000, -0.0000058700000000, -0.0001223700000000 ] - [ -0.0009754100000000, 0.0000000000000000, -0.0105376400000000 ] - [ 0.0034144400000000, 0.0101535700000000, 0.0085969400000000 ] - [ 0.0001477200000000, 0.0000058700000000, -0.0001223700000000 ] - [ 0.0014996900000000, 0.0000000000000000, -0.0019314000000000 ] - [ -0.0006040000000000, 0.0004884100000000, -0.0020743700000000 ] - [ 0.0020066900000000, 0.0000000000000000, -0.0034103600000000 ] - [ 0.0023171200000000, 0.0000000000000000, -0.0030277500000000 ] - [ -0.0006167100000000, 0.0000000000000000, 0.0005428900000000 ] - [ 0.0014446400000000, -0.0008433900000000, -0.0062426000000000 ] - [ -0.0006040000000000, -0.0004884100000000, -0.0020743700000000 ] - [ -0.0017090200000000, 0.0000000000000000, -0.0017079400000000 ] - [ 0.0014446400000000, 0.0008433900000000, -0.0062426000000000 ] - [ -0.0018918500000000, 0.0000000000000000, 0.0017823300000000 ] - [ 0.0026247200000000, 0.0000000000000000, -0.0024440500000000 ] - [ -0.0012295300000000, -0.0007847700000000, 0.0022166500000000 ] - [ 0.0008159600000000, -0.0002197500000000, 0.0008108900000000 ]- atom: 86 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0001133300000000, 0.0000000000000000, 0.0019774400000000 ] - [ -0.0001813400000000, 0.0000000000000000, 0.0016080400000000 ] - [ -0.0001718300000000, 0.0000526200000000, 0.0022531500000000 ] - [ -0.0001747000000000, 0.0000000000000000, 0.0017765400000000 ] - [ 0.0004056100000000, -0.0000508100000000, 0.0019767200000000 ] - [ 0.0001169400000000, 0.0000092500000000, 0.0025122100000000 ] - [ 0.0000427000000000, 0.0000000000000000, 0.0024389800000000 ] - [ 0.0001169400000000, -0.0000092500000000, 0.0025122100000000 ] - [ -0.0002463800000000, 0.0000000000000000, 0.0022955900000000 ] - [ 0.0001821000000000, 0.0000000000000000, 0.0026650400000000 ] - [ 0.0002929800000000, 0.0004316300000000, 0.0025529700000000 ] - [ -0.0048692200000000, 0.0000000000000000, -0.0103615300000000 ] - [ 0.0003064800000000, 0.0000000000000000, 0.0019756200000000 ] - [ -0.0003663400000000, 0.0000000000000000, -0.0007552900000000 ] - [ 0.0002929800000000, -0.0004316300000000, 0.0025529700000000 ] - [ 0.0013077600000000, 0.0000000000000000, 0.0014089300000000 ] - [ -0.0041360200000000, 0.0015402300000000, -0.0243852600000000 ] - [ -0.0025413900000000, 0.0000000000000000, 0.0071586500000000 ] - [ -0.0031086600000000, 0.0030883900000000, 0.0014052000000000 ] - [ 0.0059612300000000, 0.0000000000000000, -0.0219489700000000 ] - [ -0.0041360200000000, -0.0015402300000000, -0.0243852600000000 ] - [ 0.0060320000000000, -0.0000790500000000, 0.0023938200000000 ] - [ 0.0088193300000000, 0.0000000000000000, -0.0302641800000000 ] - [ -0.0010994100000000, 0.0000000000000000, 0.0033750800000000 ] - [ 0.0003019900000000, 0.0000000000000000, 0.0035608200000000 ] - [ -0.0000027200000000, 0.0000000000000000, 0.0019985600000000 ] - [ 0.0004056100000000, 0.0000508100000000, 0.0019767200000000 ] - [ -0.0001377900000000, 0.0000000000000000, 0.0018213400000000 ] - [ -0.0001718300000000, -0.0000526200000000, 0.0022531500000000 ] - [ 0.0002103500000000, 0.0000209100000000, 0.0025832100000000 ] - [ -0.0000314300000000, 0.0000000000000000, 0.0025296500000000 ] - [ 0.0002103500000000, -0.0000209100000000, 0.0025832100000000 ] - [ -0.0001498100000000, 0.0000000000000000, 0.0024466700000000 ] - [ -0.0000883500000000, 0.0000000000000000, 0.0024133500000000 ] - [ -0.0002311300000000, 0.0001438400000000, 0.0012225500000000 ] - [ 0.0049657000000000, 0.0000000000000000, -0.0109835600000000 ] - [ 0.0002128300000000, 0.0000000000000000, 0.0023953700000000 ] - [ -0.0043961700000000, 0.0000000000000000, 0.0050888600000000 ] - [ -0.0002311300000000, -0.0001438400000000, 0.0012225500000000 ] - [ -0.0008508300000000, 0.0000000000000000, 0.0022799500000000 ] - [ 0.0010679800000000, -0.0000895800000000, -0.0048301100000000 ] - [ 0.0008896600000000, 0.0000000000000000, -0.0003859600000000 ] - [ 0.0060320000000000, 0.0000790500000000, 0.0023938200000000 ] - [ -0.0001043500000000, 0.0000000000000000, -0.0067273900000000 ] - [ 0.0010679800000000, 0.0000895800000000, -0.0048301100000000 ] - [ -0.0031086600000000, -0.0030883900000000, 0.0014052000000000 ] - [ 0.0019475000000000, 0.0000000000000000, -0.0051860300000000 ] - [ -0.0000339400000000, 0.0000000000000000, 0.0014655100000000 ] - [ -0.0003165500000000, 0.0000000000000000, 0.0014697000000000 ] - [ 0.0047370000000000, 0.0000000000000000, 0.0036209700000000 ] - [ -0.0024859400000000, 0.0000000000000000, -0.0036546000000000 ] - [ -0.0007080100000000, 0.0000000000000000, 0.0037992400000000 ] - [ 0.0000861000000000, 0.0000000000000000, 0.0013718600000000 ] - [ -0.0016168400000000, 0.0000000000000000, -0.0006504200000000 ] - [ 0.0007580700000000, 0.0000000000000000, -0.0027314900000000 ] - [ 0.0016178100000000, 0.0000000000000000, 0.0001299400000000 ] - [ 0.0000826300000000, -0.0001709200000000, -0.0011015600000000 ] - [ -0.0000307700000000, 0.0000000000000000, -0.0020006400000000 ] - [ -0.0004440100000000, 0.0002689200000000, -0.0014941700000000 ] - [ -0.0002094100000000, 0.0000000000000000, -0.0015882600000000 ] - [ -0.0003326400000000, -0.0000003500000000, -0.0017350700000000 ] - [ -0.0002108300000000, 0.0000000000000000, -0.0015160100000000 ] - [ -0.0002552500000000, 0.0000000000000000, -0.0016256200000000 ] - [ -0.0000926800000000, 0.0000888800000000, -0.0016203400000000 ] - [ -0.0002850200000000, 0.0000000000000000, -0.0019150700000000 ] - [ -0.0003326400000000, 0.0000003500000000, -0.0017350700000000 ] - [ 0.0000202800000000, 0.0000000000000000, -0.0017419500000000 ] - [ -0.0000926800000000, -0.0000888800000000, -0.0016203400000000 ] - [ 0.0002994300000000, 0.0000583100000000, -0.0015069700000000 ] - [ 0.0003621900000000, 0.0000000000000000, -0.0017043500000000 ] - [ 0.0004920400000000, 0.0000000000000000, -0.0015683600000000 ] - [ 0.0002994300000000, -0.0000583100000000, -0.0015069700000000 ] - [ -0.0003217600000000, -0.0002749000000000, -0.0015297000000000 ] - [ -0.0008488600000000, 0.0000000000000000, -0.0019077600000000 ] - [ -0.0002094900000000, 0.0000000000000000, -0.0020543300000000 ] - [ -0.0002227200000000, 0.0002826200000000, -0.0013712000000000 ] - [ -0.0035184800000000, 0.0102232000000000, -0.0084264700000000 ] - [ 0.0011728900000000, 0.0000000000000000, -0.0014779800000000 ] - [ 0.0002020900000000, 0.0000000000000000, -0.0016884100000000 ] - [ 0.0004673400000000, 0.0002610500000000, -0.0027603500000000 ] - [ -0.0005434400000000, 0.0000000000000000, 0.0037500600000000 ] - [ 0.0013774300000000, 0.0007680900000000, 0.0025511000000000 ] - [ 0.0004673400000000, -0.0002610500000000, -0.0027603500000000 ] - [ 0.0026014700000000, 0.0000000000000000, 0.0024955200000000 ] - [ -0.0080412900000000, 0.0072002300000000, -0.0123191200000000 ] - [ -0.0086655800000000, 0.0000000000000000, 0.1342141400000000 ] - [ 0.0227867300000000, 0.0000000000000000, -0.0150856500000000 ] - [ -0.0012832600000000, 0.0000000000000000, -0.0029232600000000 ] - [ -0.0025067600000000, 0.0014524500000000, 0.0091269700000000 ] - [ -0.0080412900000000, -0.0072002300000000, -0.0123191200000000 ] - [ -0.0038011600000000, 0.0000000000000000, 0.0022170300000000 ] - [ -0.0025067600000000, -0.0014524500000000, 0.0091269700000000 ] - [ -0.0010600900000000, 0.0000000000000000, -0.0026752100000000 ] - [ 0.0089762700000000, 0.0000000000000000, -0.0063109100000000 ] - [ -0.0009503500000000, 0.0000297500000000, 0.0001525400000000 ] - [ 0.0010828900000000, -0.0010297800000000, -0.0012464500000000 ] - [ -0.0004440100000000, -0.0002689200000000, -0.0014941700000000 ] - [ -0.0002360000000000, 0.0000000000000000, -0.0020482200000000 ] - [ 0.0000826300000000, 0.0001709200000000, -0.0011015600000000 ] - [ 0.0001334700000000, 0.0000000000000000, -0.0021109800000000 ] - [ -0.0003204900000000, 0.0000028000000000, -0.0017436400000000 ] - [ -0.0000092300000000, 0.0000000000000000, -0.0015003700000000 ] - [ -0.0000790600000000, 0.0000000000000000, -0.0022685000000000 ] - [ -0.0001090700000000, 0.0000952600000000, -0.0017975000000000 ] - [ -0.0003719500000000, 0.0000000000000000, -0.0019120700000000 ] - [ -0.0003204900000000, -0.0000028000000000, -0.0017436400000000 ] - [ -0.0000227800000000, 0.0000000000000000, -0.0018032700000000 ] - [ -0.0001090700000000, -0.0000952600000000, -0.0017975000000000 ] - [ -0.0003653100000000, 0.0000760200000000, -0.0017193700000000 ] - [ 0.0001946400000000, 0.0000000000000000, -0.0016894300000000 ] - [ 0.0004683600000000, 0.0000000000000000, -0.0016324700000000 ] - [ -0.0003653100000000, -0.0000760200000000, -0.0017193700000000 ] - [ -0.0002227200000000, -0.0002826200000000, -0.0013712000000000 ] - [ 0.0005623500000000, 0.0000000000000000, -0.0007942300000000 ] - [ -0.0000914900000000, 0.0000000000000000, -0.0015238200000000 ] - [ -0.0003217600000000, 0.0002749000000000, -0.0015297000000000 ] - [ 0.0013774300000000, -0.0007680900000000, 0.0025511000000000 ] - [ -0.0006271100000000, 0.0000000000000000, -0.0035447900000000 ] - [ 0.0002399700000000, 0.0000000000000000, -0.0025300200000000 ] - [ -0.0003255900000000, -0.0000585300000000, -0.0008895900000000 ] - [ 0.0011855500000000, 0.0000000000000000, 0.0108801800000000 ] - [ -0.0035184800000000, -0.0102232000000000, -0.0084264700000000 ] - [ -0.0003255900000000, 0.0000585300000000, -0.0008895900000000 ] - [ -0.0018894200000000, 0.0000000000000000, 0.0015444800000000 ] - [ 0.0006412200000000, -0.0001633700000000, 0.0024631500000000 ] - [ -0.0011886600000000, 0.0000000000000000, 0.0036981500000000 ] - [ -0.0021963300000000, 0.0000000000000000, 0.0027777600000000 ] - [ 0.0005257800000000, 0.0000000000000000, 0.0001989000000000 ] - [ -0.0014069600000000, 0.0011970900000000, 0.0071552600000000 ] - [ 0.0006412200000000, 0.0001633700000000, 0.0024631500000000 ] - [ 0.0018376400000000, 0.0000000000000000, 0.0027972400000000 ] - [ -0.0014069600000000, -0.0011970900000000, 0.0071552600000000 ] - [ 0.0019979000000000, 0.0000000000000000, -0.0011006000000000 ] - [ -0.0022078600000000, 0.0000000000000000, 0.0025028300000000 ] - [ 0.0010828900000000, 0.0010297800000000, -0.0012464500000000 ] - [ -0.0009503500000000, -0.0000297500000000, 0.0001525400000000 ]- atom: 87 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0000231900000000, 0.0000000000000000, 0.0002920300000000 ] - [ -0.0001362000000000, 0.0000000000000000, -0.0003764700000000 ] - [ 0.0000517600000000, 0.0000468400000000, 0.0000216300000000 ] - [ -0.0001668300000000, 0.0000000000000000, -0.0003069600000000 ] - [ 0.0001129500000000, -0.0000360900000000, -0.0000994300000000 ] - [ 0.0001311300000000, 0.0000167100000000, 0.0001014000000000 ] - [ -0.0000619200000000, 0.0000000000000000, 0.0000783200000000 ] - [ 0.0001311300000000, -0.0000167100000000, 0.0001014000000000 ] - [ -0.0001218000000000, 0.0000000000000000, 0.0000899000000000 ] - [ -0.0003535300000000, 0.0000000000000000, -0.0005031500000000 ] - [ -0.0004634500000000, -0.0004302900000000, -0.0024223000000000 ] - [ 0.0453384600000000, 0.0000000000000000, 0.0113197600000000 ] - [ 0.0001186500000000, 0.0000000000000000, 0.0005799900000000 ] - [ -0.0070886200000000, 0.0000000000000000, 0.0058321800000000 ] - [ -0.0004634500000000, 0.0004302900000000, -0.0024223000000000 ] - [ -0.0026990300000000, 0.0000000000000000, 0.0003027900000000 ] - [ 0.0307723200000000, 0.0076571800000000, -0.0043501800000000 ] - [ 0.0005281000000000, 0.0000000000000000, 0.0013505500000000 ] - [ -0.0011089200000000, 0.0005369800000000, 0.0010607200000000 ] - [ 0.0095672000000000, 0.0000000000000000, 0.0005050400000000 ] - [ 0.0307723200000000, -0.0076571800000000, -0.0043501800000000 ] - [ 0.0012293300000000, 0.0000037000000000, -0.0003181800000000 ] - [ -0.0074372400000000, 0.0000000000000000, 0.0028819100000000 ] - [ 0.0002560100000000, 0.0000000000000000, 0.0001049000000000 ] - [ 0.0002566000000000, 0.0000000000000000, 0.0002967800000000 ] - [ 0.0000094900000000, 0.0000000000000000, -0.0003944800000000 ] - [ 0.0001129500000000, 0.0000360900000000, -0.0000994300000000 ] - [ -0.0000593500000000, 0.0000000000000000, -0.0004075700000000 ] - [ 0.0000517600000000, -0.0000468400000000, 0.0000216300000000 ] - [ -0.0001815300000000, -0.0000197600000000, -0.0000865300000000 ] - [ -0.0001381400000000, 0.0000000000000000, 0.0000839700000000 ] - [ -0.0001815300000000, 0.0000197600000000, -0.0000865300000000 ] - [ -0.0000773200000000, 0.0000000000000000, 0.0000299200000000 ] - [ 0.0002346400000000, 0.0000000000000000, 0.0004552300000000 ] - [ -0.0003425000000000, 0.0013210500000000, 0.0020059400000000 ] - [ -0.0071987000000000, 0.0000000000000000, 0.0064634500000000 ] - [ 0.0005490700000000, 0.0000000000000000, -0.0008046400000000 ] - [ 0.0047473500000000, 0.0000000000000000, -0.0064241400000000 ] - [ -0.0003425000000000, -0.0013210500000000, 0.0020059400000000 ] - [ 0.0041619900000000, 0.0000000000000000, -0.0013059100000000 ] - [ -0.0083479400000000, -0.0007255100000000, -0.0035617600000000 ] - [ -0.0009585700000000, 0.0000000000000000, -0.0003557600000000 ] - [ 0.0012293300000000, -0.0000037000000000, -0.0003181800000000 ] - [ -0.0028791700000000, 0.0000000000000000, 0.0006270600000000 ] - [ -0.0083479400000000, 0.0007255100000000, -0.0035617600000000 ] - [ -0.0011089200000000, -0.0005369800000000, 0.0010607200000000 ] - [ -0.0014991900000000, 0.0000000000000000, -0.0021204900000000 ] - [ -0.0003330500000000, 0.0000000000000000, -0.0003586400000000 ] - [ 0.0006441200000000, 0.0000000000000000, -0.0002319600000000 ] - [ -0.0086864500000000, 0.0000000000000000, -0.0029762900000000 ] - [ 0.0010606700000000, 0.0000000000000000, 0.0020470400000000 ] - [ 0.0119105300000000, 0.0000000000000000, -0.0003421800000000 ] - [ -0.0007278600000000, 0.0000000000000000, -0.0001859500000000 ] - [ 0.0034738400000000, 0.0000000000000000, 0.0029766400000000 ] - [ -0.0008012300000000, 0.0000000000000000, -0.0010519200000000 ] - [ -0.0037174200000000, 0.0000000000000000, -0.0001357400000000 ] - [ 0.0000422800000000, 0.0000353200000000, 0.0000846300000000 ] - [ -0.0000847200000000, 0.0000000000000000, -0.0002813500000000 ] - [ -0.0000645200000000, -0.0000431400000000, 0.0001273300000000 ] - [ -0.0003201900000000, 0.0000000000000000, -0.0004593800000000 ] - [ -0.0001731100000000, -0.0001230200000000, -0.0003309400000000 ] - [ -0.0002162500000000, 0.0000000000000000, 0.0000298400000000 ] - [ -0.0001645100000000, 0.0000000000000000, 0.0000273300000000 ] - [ -0.0000744600000000, 0.0000060600000000, -0.0001577900000000 ] - [ -0.0005973100000000, 0.0000000000000000, -0.0003791500000000 ] - [ -0.0001731100000000, 0.0001230200000000, -0.0003309400000000 ] - [ -0.0001067900000000, 0.0000000000000000, -0.0002722700000000 ] - [ -0.0000744600000000, -0.0000060600000000, -0.0001577900000000 ] - [ -0.0010903800000000, 0.0002088400000000, -0.0006006000000000 ] - [ -0.0001067800000000, 0.0000000000000000, -0.0000914100000000 ] - [ 0.0002664100000000, 0.0000000000000000, 0.0000548200000000 ] - [ -0.0010903800000000, -0.0002088400000000, -0.0006006000000000 ] - [ 0.0000683800000000, -0.0001581300000000, 0.0002915300000000 ] - [ 0.0017942700000000, 0.0000000000000000, 0.0018752500000000 ] - [ -0.0001927500000000, 0.0000000000000000, 0.0004667000000000 ] - [ -0.0001600700000000, 0.0001379600000000, -0.0002231100000000 ] - [ 0.0123209900000000, -0.0109651200000000, -0.0002914500000000 ] - [ 0.0014071200000000, 0.0000000000000000, -0.0059887100000000 ] - [ 0.0008791700000000, 0.0000000000000000, -0.0017039100000000 ] - [ -0.0022424900000000, -0.0012267900000000, 0.0025106200000000 ] - [ 0.0036204600000000, 0.0000000000000000, 0.0032080800000000 ] - [ 0.0163091100000000, 0.0074822000000000, 0.0006396000000000 ] - [ -0.0022424900000000, 0.0012267900000000, 0.0025106200000000 ] - [ -0.0092005300000000, 0.0000000000000000, -0.0005355600000000 ] - [ -0.0020876700000000, 0.0008029800000000, -0.0006945200000000 ] - [ 0.0110256700000000, 0.0000000000000000, -0.0240644400000000 ] - [ -0.1596051300000000, 0.0000000000000000, -0.0026397100000000 ] - [ -0.0004565100000000, 0.0000000000000000, 0.0003487000000000 ] - [ -0.0035102200000000, -0.0069396400000000, 0.0120068000000000 ] - [ -0.0020876700000000, -0.0008029800000000, -0.0006945200000000 ] - [ -0.0006851800000000, 0.0000000000000000, 0.0020658500000000 ] - [ -0.0035102200000000, 0.0069396400000000, 0.0120068000000000 ] - [ -0.0004692000000000, 0.0000000000000000, 0.0003717700000000 ] - [ 0.0015193000000000, 0.0000000000000000, -0.0021653000000000 ] - [ 0.0001548300000000, -0.0000245800000000, 0.0009197600000000 ] - [ -0.0002301600000000, -0.0002734700000000, 0.0001496600000000 ] - [ -0.0000645200000000, 0.0000431400000000, 0.0001273300000000 ] - [ -0.0001213700000000, 0.0000000000000000, -0.0002390100000000 ] - [ 0.0000422800000000, -0.0000353200000000, 0.0000846300000000 ] - [ -0.0003654000000000, 0.0000000000000000, -0.0005517600000000 ] - [ -0.0000882300000000, -0.0001018500000000, -0.0003398300000000 ] - [ -0.0001734900000000, 0.0000000000000000, -0.0000116600000000 ] - [ -0.0002593900000000, 0.0000000000000000, -0.0001551300000000 ] - [ -0.0000944700000000, 0.0000105300000000, -0.0001692000000000 ] - [ -0.0003045000000000, 0.0000000000000000, -0.0003630200000000 ] - [ -0.0000882300000000, 0.0001018500000000, -0.0003398300000000 ] - [ -0.0000569200000000, 0.0000000000000000, -0.0001815400000000 ] - [ -0.0000944700000000, -0.0000105300000000, -0.0001692000000000 ] - [ 0.0008904300000000, 0.0000408100000000, 0.0004227000000000 ] - [ 0.0005089200000000, 0.0000000000000000, -0.0001166300000000 ] - [ 0.0003142000000000, 0.0000000000000000, 0.0001629200000000 ] - [ 0.0008904300000000, -0.0000408100000000, 0.0004227000000000 ] - [ -0.0001600700000000, -0.0001379600000000, -0.0002231100000000 ] - [ -0.0014989700000000, 0.0000000000000000, -0.0017326500000000 ] - [ -0.0000532700000000, 0.0000000000000000, -0.0010182000000000 ] - [ 0.0000683800000000, 0.0001581300000000, 0.0002915300000000 ] - [ 0.0163091100000000, -0.0074822000000000, 0.0006396000000000 ] - [ 0.0011455300000000, 0.0000000000000000, 0.0023444000000000 ] - [ 0.0000313700000000, 0.0000000000000000, 0.0012613100000000 ] - [ 0.0020727300000000, -0.0001702100000000, -0.0019627500000000 ] - [ -0.0025539400000000, 0.0000000000000000, -0.0028740100000000 ] - [ 0.0123209900000000, 0.0109651200000000, -0.0002914500000000 ] - [ 0.0020727300000000, 0.0001702100000000, -0.0019627500000000 ] - [ 0.0060428500000000, 0.0000000000000000, -0.0000223400000000 ] - [ 0.0011252100000000, 0.0001050000000000, 0.0006666500000000 ] - [ 0.0034624800000000, 0.0000000000000000, 0.0019956200000000 ] - [ 0.0080954100000000, 0.0000000000000000, 0.0001617700000000 ] - [ 0.0003042500000000, 0.0000000000000000, 0.0003966800000000 ] - [ 0.0037697500000000, -0.0003446600000000, -0.0000021100000000 ] - [ 0.0011252100000000, -0.0001050000000000, 0.0006666500000000 ] - [ 0.0008016700000000, 0.0000000000000000, -0.0001112000000000 ] - [ 0.0037697500000000, 0.0003446600000000, -0.0000021100000000 ] - [ 0.0006451500000000, 0.0000000000000000, 0.0000969000000000 ] - [ 0.0004083800000000, 0.0000000000000000, 0.0022586400000000 ] - [ -0.0002301600000000, 0.0002734700000000, 0.0001496600000000 ] - [ 0.0001548300000000, 0.0000245800000000, 0.0009197600000000 ]- atom: 87 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0002661400000000, 0.0000000000000000, 0.0003006300000000 ] - [ 0.0000122500000000, 0.0000000000000000, -0.0003991600000000 ] - [ 0.0001073700000000, 0.0000322600000000, -0.0000920700000000 ] - [ -0.0000615400000000, 0.0000000000000000, -0.0004032400000000 ] - [ 0.0000469400000000, -0.0000430500000000, 0.0000293000000000 ] - [ -0.0001682400000000, -0.0000078200000000, -0.0000856500000000 ] - [ -0.0001366100000000, 0.0000000000000000, 0.0000888000000000 ] - [ -0.0001682400000000, 0.0000078200000000, -0.0000856500000000 ] - [ -0.0000756400000000, 0.0000000000000000, 0.0000342000000000 ] - [ 0.0003433500000000, 0.0000000000000000, 0.0004578500000000 ] - [ 0.0006385200000000, 0.0002793300000000, 0.0016815800000000 ] - [ -0.0418434500000000, 0.0000000000000000, -0.0097142000000000 ] - [ 0.0004865800000000, 0.0000000000000000, -0.0008005600000000 ] - [ 0.0071202000000000, 0.0000000000000000, -0.0064436600000000 ] - [ 0.0006385200000000, -0.0002793300000000, 0.0016815800000000 ] - [ 0.0034003900000000, 0.0000000000000000, -0.0006220400000000 ] - [ -0.0308501600000000, -0.0082376200000000, 0.0048120600000000 ] - [ -0.0007776500000000, 0.0000000000000000, -0.0007611800000000 ] - [ 0.0008904200000000, -0.0003021100000000, -0.0001148600000000 ] - [ -0.0091816800000000, 0.0000000000000000, 0.0006214600000000 ] - [ -0.0308501600000000, 0.0082376200000000, 0.0048120600000000 ] - [ -0.0014497200000000, -0.0002390400000000, 0.0012758700000000 ] - [ 0.0078130700000000, 0.0000000000000000, -0.0021310900000000 ] - [ -0.0001945500000000, 0.0000000000000000, -0.0003541100000000 ] - [ 0.0000317200000000, 0.0000000000000000, 0.0002982600000000 ] - [ -0.0001341400000000, 0.0000000000000000, -0.0003805000000000 ] - [ 0.0000469400000000, 0.0000430500000000, 0.0000293000000000 ] - [ -0.0001690200000000, 0.0000000000000000, -0.0003027900000000 ] - [ 0.0001073700000000, -0.0000322600000000, -0.0000920700000000 ] - [ 0.0001425000000000, 0.0000284500000000, 0.0001023800000000 ] - [ -0.0000608800000000, 0.0000000000000000, 0.0000833000000000 ] - [ 0.0001425000000000, -0.0000284500000000, 0.0001023800000000 ] - [ -0.0001203900000000, 0.0000000000000000, 0.0000942200000000 ] - [ -0.0002372200000000, 0.0000000000000000, -0.0005001900000000 ] - [ 0.0005457500000000, -0.0014643900000000, -0.0027358300000000 ] - [ 0.0072737600000000, 0.0000000000000000, -0.0069190300000000 ] - [ 0.0000558700000000, 0.0000000000000000, 0.0005758200000000 ] - [ -0.0047729100000000, 0.0000000000000000, 0.0057691100000000 ] - [ 0.0005457500000000, 0.0014643900000000, -0.0027358300000000 ] - [ -0.0034308300000000, 0.0000000000000000, 0.0009620600000000 ] - [ 0.0084482900000000, 0.0008106300000000, 0.0035287700000000 ] - [ 0.0007267900000000, 0.0000000000000000, 0.0009440100000000 ] - [ -0.0014497200000000, 0.0002390400000000, 0.0012758700000000 ] - [ 0.0032933000000000, 0.0000000000000000, 0.0004520900000000 ] - [ 0.0084482900000000, -0.0008106300000000, 0.0035287700000000 ] - [ 0.0008904200000000, 0.0003021100000000, -0.0001148600000000 ] - [ 0.0019420600000000, 0.0000000000000000, 0.0028792700000000 ] - [ 0.0004003000000000, 0.0000000000000000, 0.0001096700000000 ] - [ -0.0008094400000000, 0.0000000000000000, -0.0001944100000000 ] - [ 0.0087696700000000, 0.0000000000000000, 0.0030284100000000 ] - [ -0.0008052100000000, 0.0000000000000000, -0.0010216400000000 ] - [ -0.0118949100000000, 0.0000000000000000, -0.0000204700000000 ] - [ 0.0005580500000000, 0.0000000000000000, -0.0002363000000000 ] - [ -0.0033562500000000, 0.0000000000000000, -0.0029391500000000 ] - [ 0.0010760900000000, 0.0000000000000000, 0.0020675300000000 ] - [ 0.0036882800000000, 0.0000000000000000, -0.0003687300000000 ] - [ -0.0000582000000000, 0.0000382200000000, 0.0001319100000000 ] - [ -0.0001192400000000, 0.0000000000000000, -0.0002404700000000 ] - [ 0.0000484900000000, -0.0000301100000000, 0.0000883600000000 ] - [ -0.0003650400000000, 0.0000000000000000, -0.0005634600000000 ] - [ -0.0000882000000000, -0.0001039800000000, -0.0003401300000000 ] - [ -0.0001731700000000, 0.0000000000000000, -0.0000098700000000 ] - [ -0.0002758400000000, 0.0000000000000000, -0.0001587200000000 ] - [ -0.0000955500000000, 0.0000099600000000, -0.0001723600000000 ] - [ -0.0003042400000000, 0.0000000000000000, -0.0003664000000000 ] - [ -0.0000882000000000, 0.0001039800000000, -0.0003401300000000 ] - [ -0.0000580000000000, 0.0000000000000000, -0.0001864600000000 ] - [ -0.0000955500000000, -0.0000099600000000, -0.0001723600000000 ] - [ 0.0010353600000000, -0.0001239000000000, 0.0004832500000000 ] - [ 0.0005001700000000, 0.0000000000000000, -0.0000758700000000 ] - [ 0.0003102200000000, 0.0000000000000000, 0.0001601900000000 ] - [ 0.0010353600000000, 0.0001239000000000, 0.0004832500000000 ] - [ -0.0001720800000000, -0.0001403500000000, -0.0002481900000000 ] - [ -0.0018890000000000, 0.0000000000000000, -0.0017578700000000 ] - [ -0.0001664200000000, 0.0000000000000000, -0.0011501900000000 ] - [ 0.0000537500000000, 0.0001598400000000, 0.0002643900000000 ] - [ -0.0125002900000000, 0.0110384200000000, 0.0005851200000000 ] - [ -0.0011458400000000, 0.0000000000000000, 0.0054641500000000 ] - [ -0.0005379900000000, 0.0000000000000000, 0.0012552100000000 ] - [ 0.0020847400000000, 0.0011597700000000, -0.0035031400000000 ] - [ -0.0034018900000000, 0.0000000000000000, -0.0028647900000000 ] - [ -0.0161276300000000, -0.0072599800000000, -0.0003407300000000 ] - [ 0.0020847400000000, -0.0011597700000000, -0.0035031400000000 ] - [ 0.0088298400000000, 0.0000000000000000, 0.0001357600000000 ] - [ 0.0021356100000000, -0.0004801500000000, 0.0010962000000000 ] - [ -0.0102261400000000, 0.0000000000000000, 0.0246030700000000 ] - [ 0.1567065300000000, 0.0000000000000000, -0.0009260700000000 ] - [ 0.0003689200000000, 0.0000000000000000, 0.0003925100000000 ] - [ 0.0034002700000000, 0.0073466200000000, -0.0111274800000000 ] - [ 0.0021356100000000, 0.0004801500000000, 0.0010962000000000 ] - [ 0.0008158800000000, 0.0000000000000000, -0.0009693000000000 ] - [ 0.0034002700000000, -0.0073466200000000, -0.0111274800000000 ] - [ 0.0005855800000000, 0.0000000000000000, 0.0003024100000000 ] - [ -0.0011150900000000, 0.0000000000000000, 0.0022530100000000 ] - [ -0.0002977000000000, 0.0002740900000000, 0.0000419800000000 ] - [ 0.0000936000000000, 0.0000249200000000, 0.0008153300000000 ] - [ 0.0000484900000000, 0.0000301100000000, 0.0000883600000000 ] - [ -0.0000829400000000, 0.0000000000000000, -0.0002830500000000 ] - [ -0.0000582000000000, -0.0000382200000000, 0.0001319100000000 ] - [ -0.0003189100000000, 0.0000000000000000, -0.0004712500000000 ] - [ -0.0001727600000000, -0.0001249600000000, -0.0003314800000000 ] - [ -0.0002157300000000, 0.0000000000000000, 0.0000317700000000 ] - [ -0.0001797800000000, 0.0000000000000000, 0.0000243900000000 ] - [ -0.0000748300000000, 0.0000051800000000, -0.0001607500000000 ] - [ -0.0005957100000000, 0.0000000000000000, -0.0003834800000000 ] - [ -0.0001727600000000, 0.0001249600000000, -0.0003314800000000 ] - [ -0.0001071600000000, 0.0000000000000000, -0.0002772000000000 ] - [ -0.0000748300000000, -0.0000051800000000, -0.0001607500000000 ] - [ -0.0009353600000000, 0.0000434000000000, -0.0005429200000000 ] - [ -0.0001131700000000, 0.0000000000000000, -0.0000521800000000 ] - [ 0.0002628000000000, 0.0000000000000000, 0.0000522200000000 ] - [ -0.0009353600000000, -0.0000434000000000, -0.0005429200000000 ] - [ 0.0000537500000000, -0.0001598400000000, 0.0002643900000000 ] - [ 0.0013799900000000, 0.0000000000000000, 0.0018533900000000 ] - [ -0.0003141500000000, 0.0000000000000000, 0.0003275000000000 ] - [ -0.0001720800000000, 0.0001403500000000, -0.0002481900000000 ] - [ -0.0161276300000000, 0.0072599800000000, -0.0003407300000000 ] - [ -0.0008650400000000, 0.0000000000000000, -0.0028433100000000 ] - [ 0.0003146600000000, 0.0000000000000000, -0.0016913600000000 ] - [ -0.0022485500000000, 0.0001092400000000, 0.0009316600000000 ] - [ 0.0028038100000000, 0.0000000000000000, 0.0031878200000000 ] - [ -0.0125002900000000, -0.0110384200000000, 0.0005851200000000 ] - [ -0.0022485500000000, -0.0001092400000000, 0.0009316600000000 ] - [ -0.0064152900000000, 0.0000000000000000, -0.0003697900000000 ] - [ -0.0010878000000000, 0.0002212800000000, -0.0002573700000000 ] - [ -0.0026653200000000, 0.0000000000000000, -0.0016780900000000 ] - [ -0.0079561600000000, 0.0000000000000000, -0.0004222200000000 ] - [ -0.0003935800000000, 0.0000000000000000, 0.0003496100000000 ] - [ -0.0037756100000000, 0.0007165300000000, 0.0009265500000000 ] - [ -0.0010878000000000, -0.0002212800000000, -0.0002573700000000 ] - [ -0.0006664100000000, 0.0000000000000000, 0.0012222600000000 ] - [ -0.0037756100000000, -0.0007165300000000, 0.0009265500000000 ] - [ -0.0005322700000000, 0.0000000000000000, 0.0005816300000000 ] - [ -0.0000122800000000, 0.0000000000000000, -0.0021932100000000 ] - [ 0.0000936000000000, -0.0000249200000000, 0.0008153300000000 ] - [ -0.0002977000000000, -0.0002740900000000, 0.0000419800000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001444300000000, -0.0000003000000000, 0.0002955100000000 ] - [ -0.0000622500000000, 0.0000029900000000, -0.0003873900000000 ] - [ 0.0000818300000000, 0.0000402000000000, -0.0000319300000000 ] - [ -0.0001150000000000, 0.0000008100000000, -0.0003554200000000 ] - [ 0.0000777200000000, -0.0000388400000000, -0.0000386600000000 ] - [ -0.0000257100000000, 0.0000047200000000, 0.0000021500000000 ] - [ -0.0000991000000000, -0.0000008100000000, 0.0000835600000000 ] - [ -0.0000123900000000, -0.0000037900000000, 0.0000134800000000 ] - [ -0.0000987100000000, 0.0000006700000000, 0.0000614500000000 ] - [ -0.0000018200000000, -0.0000165500000000, -0.0000216800000000 ] - [ 0.0011667900000000, 0.0000812300000000, 0.0003778500000000 ] - [ -0.0000608100000000, 0.0221072900000000, -0.0002477400000000 ] - [ 0.0003032600000000, 0.0000186300000000, -0.0001129800000000 ] - [ 0.0000435600000000, 0.0038810000000000, -0.0003341000000000 ] - [ -0.0009634400000000, 0.0002280400000000, -0.0011120300000000 ] - [ 0.0003587300000000, 0.0002340000000000, -0.0001652600000000 ] - [ 0.0083710500000000, 0.0297839400000000, -0.0115958200000000 ] - [ -0.0001198900000000, 0.0004424200000000, 0.0002969800000000 ] - [ -0.0000879500000000, 0.0001201300000000, 0.0004729100000000 ] - [ 0.0002202000000000, 0.0064303700000000, 0.0005572300000000 ] - [ -0.0096203100000000, 0.0317546600000000, 0.0130501100000000 ] - [ -0.0003874600000000, -0.0001303200000000, 0.0001138700000000 ] - [ 0.0001791900000000, -0.0000458300000000, 0.0003783600000000 ] - [ 0.0000321400000000, -0.0000788000000000, -0.0001234400000000 ] - [ 0.0001446000000000, -0.0000063300000000, 0.0002954600000000 ] - [ -0.0000620900000000, 0.0000033100000000, -0.0003873700000000 ] - [ 0.0000821500000000, 0.0000399400000000, -0.0000311800000000 ] - [ -0.0001150600000000, 0.0000014200000000, -0.0003552300000000 ] - [ 0.0000779600000000, -0.0000386100000000, -0.0000377300000000 ] - [ -0.0000258600000000, 0.0000047300000000, 0.0000031300000000 ] - [ -0.0000989700000000, -0.0000003200000000, 0.0000835300000000 ] - [ -0.0000110200000000, -0.0000040100000000, 0.0000129100000000 ] - [ -0.0000986500000000, -0.0000016000000000, 0.0000615000000000 ] - [ -0.0000032500000000, -0.0001023700000000, -0.0000226100000000 ] - [ 0.0000863100000000, -0.0000494300000000, -0.0005268400000000 ] - [ 0.0000578200000000, -0.0037757400000000, -0.0002149200000000 ] - [ 0.0003030300000000, 0.0000559800000000, -0.0001102400000000 ] - [ 0.0000610600000000, -0.0063421400000000, -0.0003035000000000 ] - [ 0.0001098700000000, 0.0001144300000000, -0.0002186900000000 ] - [ 0.0003509100000000, -0.0018771500000000, -0.0001584200000000 ] - [ -0.0019289600000000, 0.0000690600000000, -0.0017596400000000 ] - [ -0.0001211600000000, 0.0000687400000000, 0.0002947100000000 ] - [ 0.0001720500000000, 0.0001061000000000, 0.0008356600000000 ] - [ 0.0002079000000000, -0.0001386800000000, 0.0005458000000000 ] - [ 0.0020604400000000, -0.0000137000000000, 0.0017668300000000 ] - [ -0.0001313600000000, -0.0001186000000000, 0.0004789800000000 ] - [ 0.0001982500000000, -0.0093914300000000, 0.0003771300000000 ] - [ 0.0000317000000000, -0.0000620400000000, -0.0001235900000000 ] - [ -0.0000854500000000, 0.0000943400000000, -0.0002114000000000 ] - [ 0.0000331300000000, 0.0027225300000000, 0.0000163100000000 ] - [ 0.0001318000000000, -0.0004139300000000, 0.0005088400000000 ] - [ -0.0000305600000000, 0.0088539700000000, -0.0001702700000000 ] - [ -0.0000833600000000, -0.0000144800000000, -0.0002117500000000 ] - [ -0.0000167800000000, -0.0077793400000000, 0.0000277000000000 ] - [ 0.0001305500000000, 0.0004069400000000, 0.0005128700000000 ] - [ -0.0000070100000000, -0.0005452700000000, -0.0002619400000000 ] - [ -0.0000045300000000, 0.0000368100000000, 0.0001023300000000 ] - [ -0.0001018500000000, -0.0000004000000000, -0.0002625800000000 ] - [ -0.0000087800000000, -0.0000383500000000, 0.0001114400000000 ] - [ -0.0003429200000000, -0.0000053400000000, -0.0005132700000000 ] - [ -0.0001295400000000, -0.0001126500000000, -0.0003365500000000 ] - [ -0.0001945600000000, 0.0000007000000000, 0.0000083400000000 ] - [ -0.0002197200000000, 0.0000106400000000, -0.0000668100000000 ] - [ -0.0000847300000000, 0.0000083900000000, -0.0001680600000000 ] - [ -0.0004505900000000, -0.0000055600000000, -0.0003721900000000 ] - [ -0.0001301300000000, 0.0001132300000000, -0.0003347400000000 ] - [ -0.0000820700000000, -0.0000013600000000, -0.0002299000000000 ] - [ -0.0000847200000000, -0.0000077800000000, -0.0001649500000000 ] - [ 0.0001896800000000, 0.0000901700000000, -0.0001898500000000 ] - [ 0.0001976100000000, 0.0000055300000000, -0.0000819600000000 ] - [ 0.0002887000000000, 0.0000018800000000, 0.0001087100000000 ] - [ -0.0002349700000000, 0.0000083300000000, 0.0000756000000000 ] - [ -0.0000707400000000, -0.0001444800000000, -0.0000011100000000 ] - [ -0.0000549700000000, -0.0005152700000000, 0.0000625900000000 ] - [ -0.0001831900000000, -0.0002925700000000, -0.0003439500000000 ] - [ -0.0000643600000000, 0.0001426000000000, 0.0000443700000000 ] - [ -0.0079658600000000, 0.0060195700000000, 0.0004539900000000 ] - [ 0.0001239500000000, -0.0017953100000000, -0.0002255100000000 ] - [ 0.0001686600000000, -0.0000551800000000, -0.0002161500000000 ] - [ -0.0012904400000000, 0.0017280000000000, -0.0038610000000000 ] - [ 0.0001052800000000, -0.0018738100000000, 0.0001526900000000 ] - [ 0.0104851200000000, 0.0017150400000000, 0.0003155400000000 ] - [ 0.0010998900000000, 0.0017957000000000, 0.0028097900000000 ] - [ -0.0002260200000000, 0.0402339800000000, -0.0002110100000000 ] - [ 0.0005972600000000, -0.0001999400000000, -0.0005717200000000 ] - [ 0.0004642700000000, -0.0055639000000000, 0.0000865500000000 ] - [ 0.0015453500000000, -0.1503541700000000, -0.0017608500000000 ] - [ -0.0000447100000000, -0.0000711800000000, 0.0003708200000000 ] - [ -0.0073807400000000, 0.0094387400000000, -0.0191724400000000 ] - [ -0.0005613400000000, -0.0005297900000000, 0.0009717400000000 ] - [ 0.0000661500000000, -0.0013977900000000, 0.0005565800000000 ] - [ 0.0074230200000000, 0.0090222700000000, 0.0202557100000000 ] - [ 0.0000569300000000, 0.0000701100000000, 0.0003363800000000 ] - [ 0.0002048800000000, -0.0000064700000000, 0.0000348000000000 ] - [ -0.0001453000000000, 0.0001613200000000, 0.0003756700000000 ] - [ -0.0001461200000000, -0.0000979200000000, 0.0005564800000000 ] - [ -0.0000065700000000, 0.0000362200000000, 0.0001009300000000 ] - [ -0.0001019400000000, -0.0000006700000000, -0.0002626500000000 ] - [ -0.0000106200000000, -0.0000377700000000, 0.0001099600000000 ] - [ -0.0003429500000000, -0.0000033800000000, -0.0005133400000000 ] - [ -0.0001291700000000, -0.0001125000000000, -0.0003364400000000 ] - [ -0.0001946000000000, 0.0000006200000000, 0.0000083200000000 ] - [ -0.0002197500000000, 0.0000064300000000, -0.0000668500000000 ] - [ -0.0000842800000000, 0.0000081300000000, -0.0001677600000000 ] - [ -0.0004510500000000, -0.0000016600000000, -0.0003720300000000 ] - [ -0.0001305700000000, 0.0001133200000000, -0.0003346800000000 ] - [ -0.0000820700000000, -0.0000016700000000, -0.0002300300000000 ] - [ -0.0000849200000000, -0.0000077900000000, -0.0001651700000000 ] - [ -0.0000698800000000, 0.0000346400000000, -0.0000462000000000 ] - [ 0.0001965300000000, 0.0000007500000000, -0.0000814400000000 ] - [ 0.0002885500000000, 0.0000029600000000, 0.0001086100000000 ] - [ 0.0000179900000000, -0.0000501200000000, -0.0000687700000000 ] - [ -0.0000405100000000, -0.0001544400000000, 0.0000016500000000 ] - [ -0.0000462800000000, 0.0008646200000000, 0.0000593100000000 ] - [ -0.0001815100000000, 0.0000551300000000, -0.0003421900000000 ] - [ -0.0000354000000000, 0.0001523000000000, 0.0000455200000000 ] - [ -0.0104895100000000, 0.0016670700000000, -0.0000157500000000 ] - [ 0.0001303700000000, 0.0010609000000000, -0.0002444100000000 ] - [ 0.0001701500000000, 0.0006479900000000, -0.0002228900000000 ] - [ -0.0002352600000000, -0.0002081400000000, 0.0000269000000000 ] - [ 0.0000989500000000, 0.0027421100000000, 0.0001729000000000 ] - [ 0.0078367200000000, 0.0061053700000000, -0.0001477300000000 ] - [ 0.0000505900000000, -0.0001498300000000, -0.0010404200000000 ] - [ -0.0001967000000000, -0.0019049200000000, -0.0001961600000000 ] - [ 0.0000221200000000, 0.0001841200000000, 0.0002402800000000 ] - [ 0.0004065000000000, 0.0014124100000000, 0.0001446600000000 ] - [ 0.0000560800000000, 0.0017686000000000, -0.0001339300000000 ] - [ -0.0000442300000000, 0.0000090900000000, 0.0003710000000000 ] - [ -0.0002264600000000, 0.0001917300000000, 0.0008315500000000 ] - [ 0.0000192900000000, -0.0001415000000000, 0.0001624200000000 ] - [ 0.0000659300000000, 0.0000508500000000, 0.0005544700000000 ] - [ 0.0002138500000000, -0.0001753800000000, 0.0000855900000000 ] - [ 0.0000581300000000, -0.0000058200000000, 0.0003360200000000 ] - [ 0.0002015700000000, 0.0015602800000000, 0.0000410800000000 ] - [ 0.0000066700000000, 0.0001519800000000, 0.0004035300000000 ] - [ 0.0000063200000000, -0.0000880000000000, 0.0005856200000000 ]- atom: 87 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0000778000000000, 0.0000000000000000, -0.0019285300000000 ] - [ -0.0000959300000000, 0.0000000000000000, -0.0025035000000000 ] - [ 0.0001371900000000, 0.0000496200000000, -0.0021955900000000 ] - [ -0.0000440500000000, 0.0000000000000000, -0.0024935900000000 ] - [ -0.0000062400000000, -0.0000352600000000, -0.0022558300000000 ] - [ -0.0001002800000000, 0.0000155300000000, -0.0026031600000000 ] - [ -0.0002063400000000, 0.0000000000000000, -0.0023627600000000 ] - [ -0.0001002800000000, -0.0000155300000000, -0.0026031600000000 ] - [ -0.0000036600000000, 0.0000000000000000, -0.0022552800000000 ] - [ -0.0007635200000000, 0.0000000000000000, -0.0023596800000000 ] - [ -0.0035068900000000, -0.0004740300000000, -0.0026631700000000 ] - [ 0.0208751000000000, 0.0000000000000000, 0.0394685800000000 ] - [ 0.0004612000000000, 0.0000000000000000, -0.0021259300000000 ] - [ 0.0035933000000000, 0.0000000000000000, 0.0062736100000000 ] - [ -0.0035068900000000, 0.0004740300000000, -0.0026631700000000 ] - [ -0.0003470700000000, 0.0000000000000000, -0.0002722500000000 ] - [ -0.0024291400000000, -0.0109310600000000, 0.0379662700000000 ] - [ 0.0010031800000000, 0.0000000000000000, -0.0024599900000000 ] - [ 0.0002318100000000, -0.0003754800000000, -0.0007805500000000 ] - [ 0.0019367400000000, 0.0000000000000000, -0.0078397900000000 ] - [ -0.0024291400000000, 0.0109310600000000, 0.0379662700000000 ] - [ 0.0000515400000000, 0.0001307900000000, -0.0029455500000000 ] - [ 0.0067532300000000, 0.0000000000000000, 0.0021418200000000 ] - [ 0.0005420000000000, 0.0000000000000000, -0.0027309100000000 ] - [ 0.0002234200000000, 0.0000000000000000, -0.0024600300000000 ] - [ 0.0000043800000000, 0.0000000000000000, -0.0026274900000000 ] - [ -0.0000062400000000, 0.0000352600000000, -0.0022558300000000 ] - [ -0.0000992200000000, 0.0000000000000000, -0.0025644100000000 ] - [ 0.0001371900000000, -0.0000496200000000, -0.0021955900000000 ] - [ -0.0003256000000000, -0.0000086800000000, -0.0025076200000000 ] - [ -0.0001949200000000, 0.0000000000000000, -0.0023193500000000 ] - [ -0.0003256000000000, 0.0000086800000000, -0.0025076200000000 ] - [ -0.0000061500000000, 0.0000000000000000, -0.0022874400000000 ] - [ 0.0005818900000000, 0.0000000000000000, -0.0026826900000000 ] - [ 0.0023468100000000, -0.0015901600000000, -0.0020522500000000 ] - [ -0.0007009500000000, 0.0000000000000000, 0.0086778300000000 ] - [ 0.0002392900000000, 0.0000000000000000, -0.0030148100000000 ] - [ -0.0038599400000000, 0.0000000000000000, 0.0058247200000000 ] - [ 0.0023468100000000, 0.0015901600000000, -0.0020522500000000 ] - [ 0.0035757500000000, 0.0000000000000000, -0.0041390800000000 ] - [ -0.0009925000000000, 0.0001384100000000, 0.0063859100000000 ] - [ -0.0021788500000000, 0.0000000000000000, -0.0015492300000000 ] - [ 0.0000515400000000, -0.0001307900000000, -0.0029455500000000 ] - [ -0.0006336000000000, 0.0000000000000000, 0.0017478000000000 ] - [ -0.0009925000000000, -0.0001384100000000, 0.0063859100000000 ] - [ 0.0002318100000000, 0.0003754800000000, -0.0007805500000000 ] - [ -0.0076632300000000, 0.0000000000000000, 0.0008204000000000 ] - [ -0.0004853200000000, 0.0000000000000000, -0.0026199000000000 ] - [ 0.0001207700000000, 0.0000000000000000, -0.0023615000000000 ] - [ -0.0045948100000000, 0.0000000000000000, 0.0034713000000000 ] - [ 0.0020039500000000, 0.0000000000000000, -0.0000173400000000 ] - [ 0.0019340800000000, 0.0000000000000000, 0.0280010700000000 ] - [ -0.0001733400000000, 0.0000000000000000, -0.0013944700000000 ] - [ 0.0037411100000000, 0.0000000000000000, 0.0052738000000000 ] - [ -0.0017389900000000, 0.0000000000000000, 0.0003293700000000 ] - [ -0.0007901200000000, 0.0000000000000000, 0.0021750800000000 ] - [ 0.0001133200000000, 0.0002887500000000, 0.0014128300000000 ] - [ -0.0001052900000000, 0.0000000000000000, 0.0014872200000000 ] - [ 0.0001676300000000, -0.0003362200000000, 0.0015927200000000 ] - [ -0.0005619500000000, 0.0000000000000000, 0.0008600300000000 ] - [ 0.0000770500000000, -0.0002308000000000, 0.0011145700000000 ] - [ -0.0002567000000000, 0.0000000000000000, 0.0015607000000000 ] - [ -0.0001238300000000, 0.0000000000000000, 0.0018605700000000 ] - [ -0.0000484700000000, -0.0000792300000000, 0.0013969200000000 ] - [ -0.0006455800000000, 0.0000000000000000, 0.0012722100000000 ] - [ 0.0000770500000000, 0.0002308000000000, 0.0011145700000000 ] - [ -0.0001969600000000, 0.0000000000000000, 0.0013342100000000 ] - [ -0.0000484700000000, 0.0000792300000000, 0.0013969200000000 ] - [ -0.0007650100000000, -0.0002158500000000, 0.0017769900000000 ] - [ 0.0000194700000000, 0.0000000000000000, 0.0017102900000000 ] - [ 0.0000697000000000, 0.0000000000000000, 0.0018426200000000 ] - [ -0.0007650100000000, 0.0002158500000000, 0.0017769900000000 ] - [ 0.0004089100000000, -0.0000879800000000, 0.0016036900000000 ] - [ 0.0020346600000000, 0.0000000000000000, 0.0000386900000000 ] - [ 0.0007515600000000, 0.0000000000000000, 0.0015280400000000 ] - [ -0.0000159900000000, -0.0000074900000000, 0.0014322800000000 ] - [ 0.0052149800000000, -0.0036010000000000, -0.0074650900000000 ] - [ -0.0060034400000000, 0.0000000000000000, 0.0033557000000000 ] - [ -0.0007713800000000, 0.0000000000000000, 0.0012548700000000 ] - [ 0.0027939800000000, -0.0040542800000000, 0.0044131800000000 ] - [ 0.0032212400000000, 0.0000000000000000, -0.0033938400000000 ] - [ -0.0014018500000000, -0.0004120600000000, -0.0070794600000000 ] - [ 0.0027939800000000, 0.0040542800000000, 0.0044131800000000 ] - [ -0.0008510000000000, 0.0000000000000000, -0.0113074300000000 ] - [ -0.0008955800000000, 0.0000001100000000, 0.0025970100000000 ] - [ -0.0223554900000000, 0.0000000000000000, 0.0150700200000000 ] - [ -0.0238662700000000, 0.0000000000000000, -0.1820066200000000 ] - [ -0.0001576600000000, 0.0000000000000000, 0.0027235200000000 ] - [ 0.0111270700000000, -0.0200605000000000, 0.0198862300000000 ] - [ -0.0008955800000000, -0.0000001100000000, 0.0025970100000000 ] - [ 0.0006957300000000, 0.0000000000000000, 0.0032371700000000 ] - [ 0.0111270700000000, 0.0200605000000000, 0.0198862300000000 ] - [ -0.0005753500000000, 0.0000000000000000, 0.0021481400000000 ] - [ -0.0013853400000000, 0.0000000000000000, 0.0015648900000000 ] - [ 0.0007556400000000, -0.0003129800000000, 0.0021757300000000 ] - [ -0.0004284300000000, 0.0002414300000000, 0.0016980500000000 ] - [ 0.0001676300000000, 0.0003362200000000, 0.0015927200000000 ] - [ -0.0000485700000000, 0.0000000000000000, 0.0015514200000000 ] - [ 0.0001133200000000, -0.0002887500000000, 0.0014128300000000 ] - [ -0.0007370800000000, 0.0000000000000000, 0.0009195700000000 ] - [ 0.0000529500000000, -0.0002291600000000, 0.0010486600000000 ] - [ -0.0003094500000000, 0.0000000000000000, 0.0015090100000000 ] - [ -0.0003009400000000, 0.0000000000000000, 0.0018381100000000 ] - [ -0.0000811900000000, -0.0000717700000000, 0.0014065100000000 ] - [ -0.0004987500000000, 0.0000000000000000, 0.0010581600000000 ] - [ 0.0000529500000000, 0.0002291600000000, 0.0010486600000000 ] - [ -0.0001247300000000, 0.0000000000000000, 0.0013237400000000 ] - [ -0.0000811900000000, 0.0000717700000000, 0.0014065100000000 ] - [ 0.0005129500000000, 0.0000957200000000, 0.0007993300000000 ] - [ 0.0001633600000000, 0.0000000000000000, 0.0013755300000000 ] - [ 0.0001241600000000, 0.0000000000000000, 0.0018357400000000 ] - [ 0.0005129500000000, -0.0000957200000000, 0.0007993300000000 ] - [ -0.0000159900000000, 0.0000074900000000, 0.0014322800000000 ] - [ -0.0020090800000000, 0.0000000000000000, -0.0000539400000000 ] - [ -0.0008417600000000, 0.0000000000000000, 0.0004440400000000 ] - [ 0.0004089100000000, 0.0000879800000000, 0.0016036900000000 ] - [ -0.0014018500000000, 0.0004120600000000, -0.0070794600000000 ] - [ 0.0028047400000000, 0.0000000000000000, -0.0012810800000000 ] - [ 0.0012412100000000, 0.0000000000000000, 0.0031487900000000 ] - [ -0.0010843400000000, 0.0004333000000000, -0.0021468300000000 ] - [ -0.0028899000000000, 0.0000000000000000, -0.0054818800000000 ] - [ 0.0052149800000000, 0.0036010000000000, -0.0074650900000000 ] - [ -0.0010843400000000, -0.0004333000000000, -0.0021468300000000 ] - [ 0.0005264300000000, 0.0000000000000000, -0.0038404200000000 ] - [ 0.0006331600000000, 0.0001193500000000, 0.0002798700000000 ] - [ 0.0039904800000000, 0.0000000000000000, -0.0029549600000000 ] - [ 0.0015026700000000, 0.0000000000000000, -0.0040022100000000 ] - [ 0.0000634400000000, 0.0000000000000000, 0.0016431600000000 ] - [ -0.0006558100000000, 0.0010213400000000, -0.0024864300000000 ] - [ 0.0006331600000000, -0.0001193500000000, 0.0002798700000000 ] - [ -0.0002376700000000, 0.0000000000000000, 0.0005260800000000 ] - [ -0.0006558100000000, -0.0010213400000000, -0.0024864300000000 ] - [ -0.0002206500000000, 0.0000000000000000, 0.0013873500000000 ] - [ 0.0020034300000000, 0.0000000000000000, 0.0044668300000000 ] - [ -0.0004284300000000, -0.0002414300000000, 0.0016980500000000 ] - [ 0.0007556400000000, 0.0003129800000000, 0.0021757300000000 ]- atom: 87 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0002106800000000, 0.0000000000000000, 0.0025235400000000 ] - [ -0.0000287500000000, 0.0000000000000000, 0.0017291800000000 ] - [ 0.0000227100000000, 0.0000293100000000, 0.0021263800000000 ] - [ -0.0001850700000000, 0.0000000000000000, 0.0017845700000000 ] - [ 0.0001661200000000, -0.0000435700000000, 0.0021862200000000 ] - [ 0.0000618600000000, -0.0000068400000000, 0.0026208900000000 ] - [ 0.0000079800000000, 0.0000000000000000, 0.0025312900000000 ] - [ 0.0000618600000000, 0.0000068400000000, 0.0026208900000000 ] - [ -0.0001938200000000, 0.0000000000000000, 0.0023802300000000 ] - [ 0.0007624300000000, 0.0000000000000000, 0.0023148100000000 ] - [ 0.0037262300000000, 0.0003242100000000, 0.0019264200000000 ] - [ -0.0191700700000000, 0.0000000000000000, -0.0393294500000000 ] - [ 0.0001434900000000, 0.0000000000000000, 0.0019017300000000 ] - [ -0.0035509000000000, 0.0000000000000000, -0.0069881500000000 ] - [ 0.0037262300000000, -0.0003242100000000, 0.0019264200000000 ] - [ 0.0010599300000000, 0.0000000000000000, -0.0000651800000000 ] - [ 0.0021949300000000, 0.0104320700000000, -0.0378274200000000 ] - [ -0.0012439200000000, 0.0000000000000000, 0.0030527600000000 ] - [ -0.0004504600000000, 0.0006094900000000, 0.0017350600000000 ] - [ -0.0014952600000000, 0.0000000000000000, 0.0089309900000000 ] - [ 0.0021949300000000, -0.0104320700000000, -0.0378274200000000 ] - [ -0.0002635500000000, -0.0003617300000000, 0.0038922200000000 ] - [ -0.0063794700000000, 0.0000000000000000, -0.0013606600000000 ] - [ -0.0004762200000000, 0.0000000000000000, 0.0024833900000000 ] - [ 0.0000660600000000, 0.0000000000000000, 0.0030541700000000 ] - [ -0.0001283400000000, 0.0000000000000000, 0.0018529800000000 ] - [ 0.0001661200000000, 0.0000435700000000, 0.0021862200000000 ] - [ -0.0001293800000000, 0.0000000000000000, 0.0018555600000000 ] - [ 0.0000227100000000, -0.0000293100000000, 0.0021263800000000 ] - [ 0.0002884800000000, 0.0000175800000000, 0.0025245300000000 ] - [ -0.0000032900000000, 0.0000000000000000, 0.0024876200000000 ] - [ 0.0002884800000000, -0.0000175800000000, 0.0025245300000000 ] - [ -0.0001909800000000, 0.0000000000000000, 0.0024121600000000 ] - [ -0.0005916500000000, 0.0000000000000000, 0.0026405200000000 ] - [ -0.0021648500000000, 0.0014489300000000, 0.0013132000000000 ] - [ 0.0007737400000000, 0.0000000000000000, -0.0090573700000000 ] - [ 0.0003676100000000, 0.0000000000000000, 0.0027947500000000 ] - [ 0.0039398600000000, 0.0000000000000000, -0.0065823700000000 ] - [ -0.0021648500000000, -0.0014489300000000, 0.0013132000000000 ] - [ -0.0028822500000000, 0.0000000000000000, 0.0038236800000000 ] - [ 0.0011172900000000, -0.0000546200000000, -0.0063509800000000 ] - [ 0.0019278800000000, 0.0000000000000000, 0.0021382500000000 ] - [ -0.0002635500000000, 0.0003617300000000, 0.0038922200000000 ] - [ 0.0010415600000000, 0.0000000000000000, -0.0006443400000000 ] - [ 0.0011172900000000, 0.0000546200000000, -0.0063509800000000 ] - [ -0.0004504600000000, -0.0006094900000000, 0.0017350600000000 ] - [ 0.0080462300000000, 0.0000000000000000, -0.0000335400000000 ] - [ 0.0005477400000000, 0.0000000000000000, 0.0023717100000000 ] - [ -0.0002897300000000, 0.0000000000000000, 0.0019439300000000 ] - [ 0.0046711800000000, 0.0000000000000000, -0.0034718500000000 ] - [ -0.0017335500000000, 0.0000000000000000, 0.0010504200000000 ] - [ -0.0019083800000000, 0.0000000000000000, -0.0311590300000000 ] - [ 0.0000055100000000, 0.0000000000000000, 0.0009698000000000 ] - [ -0.0036926800000000, 0.0000000000000000, -0.0052814900000000 ] - [ 0.0019962700000000, 0.0000000000000000, 0.0006993000000000 ] - [ 0.0007684400000000, 0.0000000000000000, -0.0027174000000000 ] - [ -0.0001287700000000, -0.0002149800000000, -0.0011979300000000 ] - [ -0.0000984900000000, 0.0000000000000000, -0.0020117500000000 ] - [ -0.0001833700000000, 0.0002624000000000, -0.0013774200000000 ] - [ -0.0001227100000000, 0.0000000000000000, -0.0018838100000000 ] - [ -0.0003393400000000, 0.0000042800000000, -0.0017855000000000 ] - [ -0.0001323900000000, 0.0000000000000000, -0.0015416300000000 ] - [ -0.0003153200000000, 0.0000000000000000, -0.0019919300000000 ] - [ -0.0001210500000000, 0.0000954600000000, -0.0017282600000000 ] - [ -0.0002590100000000, 0.0000000000000000, -0.0020201300000000 ] - [ -0.0003393400000000, -0.0000042800000000, -0.0017855000000000 ] - [ 0.0000331500000000, 0.0000000000000000, -0.0017944900000000 ] - [ -0.0001210500000000, -0.0000954600000000, -0.0017282600000000 ] - [ 0.0007207600000000, 0.0003021500000000, -0.0018966400000000 ] - [ 0.0003753200000000, 0.0000000000000000, -0.0018786600000000 ] - [ 0.0005093800000000, 0.0000000000000000, -0.0016277800000000 ] - [ 0.0007207600000000, -0.0003021500000000, -0.0018966400000000 ] - [ -0.0005156300000000, -0.0002098200000000, -0.0015638900000000 ] - [ -0.0021519300000000, 0.0000000000000000, 0.0000968700000000 ] - [ -0.0011225400000000, 0.0000000000000000, -0.0022186500000000 ] - [ -0.0000880800000000, 0.0003057900000000, -0.0013917800000000 ] - [ -0.0052155900000000, 0.0034951400000000, 0.0078024100000000 ] - [ 0.0063193300000000, 0.0000000000000000, -0.0038671700000000 ] - [ 0.0011184900000000, 0.0000000000000000, -0.0016942500000000 ] - [ -0.0029998800000000, 0.0040401500000000, -0.0054725900000000 ] - [ -0.0029980500000000, 0.0000000000000000, 0.0036904000000000 ] - [ 0.0013024300000000, 0.0004766700000000, 0.0073930600000000 ] - [ -0.0029998800000000, -0.0040401500000000, -0.0054725900000000 ] - [ 0.0004733300000000, 0.0000000000000000, 0.0109570000000000 ] - [ 0.0009288700000000, 0.0003276400000000, -0.0021991300000000 ] - [ 0.0229136000000000, 0.0000000000000000, -0.0146595500000000 ] - [ 0.0229725000000000, 0.0000000000000000, 0.1828737300000000 ] - [ 0.0000678200000000, 0.0000000000000000, -0.0019816000000000 ] - [ -0.0109722000000000, 0.0201011000000000, -0.0186699600000000 ] - [ 0.0009288700000000, -0.0003276400000000, -0.0021991300000000 ] - [ -0.0005632500000000, 0.0000000000000000, -0.0021289300000000 ] - [ -0.0109722000000000, -0.0201011000000000, -0.0186699600000000 ] - [ 0.0006867000000000, 0.0000000000000000, -0.0014724700000000 ] - [ 0.0017871300000000, 0.0000000000000000, -0.0014876700000000 ] - [ -0.0008925500000000, 0.0005600000000000, -0.0012109800000000 ] - [ 0.0002886100000000, -0.0004900400000000, -0.0007366300000000 ] - [ -0.0001833700000000, -0.0002624000000000, -0.0013774200000000 ] - [ -0.0001554500000000, 0.0000000000000000, -0.0020759300000000 ] - [ -0.0001287700000000, 0.0002149800000000, -0.0011979300000000 ] - [ 0.0000519600000000, 0.0000000000000000, -0.0019435500000000 ] - [ -0.0003149800000000, 0.0000027400000000, -0.0017192200000000 ] - [ -0.0000795900000000, 0.0000000000000000, -0.0014902900000000 ] - [ -0.0001386800000000, 0.0000000000000000, -0.0019697500000000 ] - [ -0.0000881800000000, 0.0000877500000000, -0.0017376200000000 ] - [ -0.0004066100000000, 0.0000000000000000, -0.0018046500000000 ] - [ -0.0003149800000000, -0.0000027400000000, -0.0017192200000000 ] - [ -0.0000394800000000, 0.0000000000000000, -0.0017838800000000 ] - [ -0.0000881800000000, -0.0000877500000000, -0.0017376200000000 ] - [ -0.0005646400000000, -0.0000116800000000, -0.0009120700000000 ] - [ 0.0002310200000000, 0.0000000000000000, -0.0015413500000000 ] - [ 0.0004544200000000, 0.0000000000000000, -0.0016206300000000 ] - [ -0.0005646400000000, 0.0000116800000000, -0.0009120700000000 ] - [ -0.0000880800000000, -0.0003057900000000, -0.0013917800000000 ] - [ 0.0019173400000000, 0.0000000000000000, 0.0001898800000000 ] - [ 0.0004814100000000, 0.0000000000000000, -0.0011277500000000 ] - [ -0.0005156300000000, 0.0002098200000000, -0.0015638900000000 ] - [ 0.0013024300000000, -0.0004766700000000, 0.0073930600000000 ] - [ -0.0025556900000000, 0.0000000000000000, 0.0008172300000000 ] - [ -0.0009074300000000, 0.0000000000000000, -0.0035986700000000 ] - [ 0.0009121300000000, -0.0004986700000000, 0.0011457600000000 ] - [ 0.0031064700000000, 0.0000000000000000, 0.0057701300000000 ] - [ -0.0052155900000000, -0.0034951400000000, 0.0078024100000000 ] - [ 0.0009121300000000, 0.0004986700000000, 0.0011457600000000 ] - [ -0.0009187300000000, 0.0000000000000000, 0.0034465300000000 ] - [ -0.0005892100000000, 0.0002053400000000, 0.0001187900000000 ] - [ -0.0031589800000000, 0.0000000000000000, 0.0032301700000000 ] - [ -0.0013721600000000, 0.0000000000000000, 0.0037260400000000 ] - [ -0.0001509200000000, 0.0000000000000000, -0.0009024800000000 ] - [ 0.0006464000000000, -0.0006466800000000, 0.0033869900000000 ] - [ -0.0005892100000000, -0.0002053400000000, 0.0001187900000000 ] - [ 0.0003726100000000, 0.0000000000000000, 0.0005749400000000 ] - [ 0.0006464000000000, 0.0006466800000000, 0.0033869900000000 ] - [ 0.0003361300000000, 0.0000000000000000, -0.0007139600000000 ] - [ -0.0015926400000000, 0.0000000000000000, -0.0043639000000000 ] - [ 0.0002886100000000, 0.0004900400000000, -0.0007366300000000 ] - [ -0.0008925500000000, -0.0005600000000000, -0.0012109800000000 ]- atom: 88 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0039286000000000, 0.0000000000000000, 0.0001320000000000 ] - [ -0.0032294900000000, 0.0000000000000000, -0.0005710700000000 ] - [ -0.0016072600000000, -0.0024793100000000, 0.0028773400000000 ] - [ -0.0002863800000000, 0.0000000000000000, 0.0005022600000000 ] - [ -0.0011129400000000, 0.0000963100000000, -0.0023648700000000 ] - [ -0.0002152000000000, -0.0000337500000000, -0.0000918100000000 ] - [ -0.0005581700000000, 0.0000000000000000, -0.0004400700000000 ] - [ -0.0002152000000000, 0.0000337500000000, -0.0000918100000000 ] - [ -0.0011979000000000, 0.0000000000000000, 0.0000683100000000 ] - [ 0.0000347600000000, 0.0000000000000000, -0.0000246400000000 ] - [ 0.0001178500000000, -0.0000840500000000, -0.0004157000000000 ] - [ 0.0004131200000000, 0.0000000000000000, 0.0008033600000000 ] - [ 0.0002424500000000, 0.0000000000000000, -0.0000576400000000 ] - [ -0.0000907500000000, 0.0000000000000000, -0.0001458600000000 ] - [ 0.0001178500000000, 0.0000840500000000, -0.0004157000000000 ] - [ 0.0002938300000000, 0.0000000000000000, -0.0001448900000000 ] - [ 0.0011860400000000, 0.0000234300000000, -0.0006207100000000 ] - [ 0.0283480800000000, 0.0000000000000000, 0.0023409400000000 ] - [ -0.0092836400000000, -0.0006196500000000, -0.0017460300000000 ] - [ 0.0090471500000000, 0.0000000000000000, 0.0003751300000000 ] - [ 0.0011860400000000, -0.0000234300000000, -0.0006207100000000 ] - [ 0.0260659700000000, 0.0027912800000000, -0.0013217200000000 ] - [ -0.0009011100000000, 0.0000000000000000, -0.0016439300000000 ] - [ 0.0059501200000000, 0.0000000000000000, 0.0038756100000000 ] - [ 0.0231693700000000, 0.0000000000000000, 0.0001911700000000 ] - [ 0.0047445400000000, 0.0000000000000000, -0.0014609600000000 ] - [ -0.0011129400000000, -0.0000963100000000, -0.0023648700000000 ] - [ 0.0002087500000000, 0.0000000000000000, -0.0012119300000000 ] - [ -0.0016072600000000, 0.0024793100000000, 0.0028773400000000 ] - [ 0.0001407300000000, 0.0000100400000000, 0.0001109800000000 ] - [ 0.0000364600000000, 0.0000000000000000, 0.0006050200000000 ] - [ 0.0001407300000000, -0.0000100400000000, 0.0001109800000000 ] - [ 0.0015241000000000, 0.0000000000000000, 0.0001069500000000 ] - [ -0.0000453600000000, 0.0000000000000000, -0.0000299000000000 ] - [ 0.0000833300000000, -0.0000671000000000, -0.0003300900000000 ] - [ -0.0004412300000000, 0.0000000000000000, -0.0007896200000000 ] - [ 0.0003716300000000, 0.0000000000000000, -0.0001747900000000 ] - [ 0.0002120900000000, 0.0000000000000000, -0.0005183800000000 ] - [ 0.0000833300000000, 0.0000671000000000, -0.0003300900000000 ] - [ 0.0004152600000000, 0.0000000000000000, -0.0001858900000000 ] - [ -0.0008014100000000, -0.0001589100000000, 0.0004045000000000 ] - [ -0.0060680400000000, 0.0000000000000000, 0.0058293000000000 ] - [ 0.0260659700000000, -0.0027912800000000, -0.0013217200000000 ] - [ -0.0027936800000000, 0.0000000000000000, 0.0007224600000000 ] - [ -0.0008014100000000, 0.0001589100000000, 0.0004045000000000 ] - [ -0.0092836400000000, 0.0006196500000000, -0.0017460300000000 ] - [ 0.0012223200000000, 0.0000000000000000, 0.0023858600000000 ] - [ -0.0112477000000000, 0.0000000000000000, -0.0041055200000000 ] - [ -0.0000718900000000, 0.0000000000000000, -0.0002391700000000 ] - [ -0.0001219700000000, 0.0000000000000000, -0.0001260800000000 ] - [ 0.0001902600000000, 0.0000000000000000, -0.0017123600000000 ] - [ 0.0000685800000000, 0.0000000000000000, -0.0002572300000000 ] - [ -0.0000962000000000, 0.0000000000000000, -0.0001900600000000 ] - [ 0.0001256100000000, 0.0000000000000000, 0.0001562500000000 ] - [ -0.0038053500000000, 0.0000000000000000, 0.0027548700000000 ] - [ -0.0000936100000000, 0.0000000000000000, -0.0002676400000000 ] - [ 0.0022019100000000, 0.0001795900000000, -0.0003049500000000 ] - [ 0.0013281100000000, 0.0000000000000000, -0.0020678700000000 ] - [ -0.0033579700000000, -0.0033866700000000, 0.0051748100000000 ] - [ 0.0010018500000000, 0.0000000000000000, 0.0006203000000000 ] - [ 0.0000211600000000, -0.0001030900000000, -0.0000168800000000 ] - [ -0.0002842900000000, 0.0000000000000000, 0.0010345300000000 ] - [ 0.0016534800000000, 0.0000000000000000, 0.0023325600000000 ] - [ 0.0008960500000000, -0.0000713300000000, 0.0003335500000000 ] - [ -0.0003971900000000, 0.0000000000000000, -0.0003106200000000 ] - [ 0.0000211600000000, 0.0001030900000000, -0.0000168800000000 ] - [ 0.0002969400000000, 0.0000000000000000, -0.0003026500000000 ] - [ 0.0008960500000000, 0.0000713300000000, 0.0003335500000000 ] - [ -0.0000318100000000, 0.0000415500000000, -0.0000575800000000 ] - [ 0.0002268800000000, 0.0000000000000000, -0.0000155500000000 ] - [ 0.0004857600000000, 0.0000000000000000, 0.0001215600000000 ] - [ -0.0000318100000000, -0.0000415500000000, -0.0000575800000000 ] - [ -0.0001034100000000, -0.0001404700000000, 0.0000229100000000 ] - [ -0.0000191300000000, 0.0000000000000000, 0.0001060900000000 ] - [ -0.0001955200000000, 0.0000000000000000, -0.0003266900000000 ] - [ -0.0000017800000000, 0.0001612700000000, 0.0000164000000000 ] - [ 0.0000145000000000, -0.0000239600000000, 0.0005229400000000 ] - [ 0.0001199200000000, 0.0000000000000000, -0.0003078600000000 ] - [ 0.0001878100000000, 0.0000000000000000, -0.0002441800000000 ] - [ -0.0001401900000000, -0.0000324200000000, -0.0004730700000000 ] - [ 0.0008982700000000, 0.0000000000000000, -0.0010779800000000 ] - [ -0.0000537300000000, 0.0000853800000000, -0.0001401300000000 ] - [ -0.0001401900000000, 0.0000324200000000, -0.0004730700000000 ] - [ -0.0005958600000000, 0.0000000000000000, -0.0002100900000000 ] - [ -0.0047387300000000, 0.0042525700000000, 0.0100269300000000 ] - [ 0.0000344400000000, 0.0000000000000000, 0.0014599300000000 ] - [ -0.0003488700000000, 0.0000000000000000, -0.0001884500000000 ] - [ -0.1358659300000000, 0.0000000000000000, 0.0013864200000000 ] - [ -0.0017474200000000, -0.0003300400000000, -0.0003741300000000 ] - [ -0.0047387300000000, -0.0042525700000000, 0.0100269300000000 ] - [ 0.0029146600000000, 0.0000000000000000, -0.0192883200000000 ] - [ -0.0017474200000000, 0.0003300400000000, -0.0003741300000000 ] - [ -0.0090461000000000, 0.0000000000000000, 0.0014604300000000 ] - [ 0.0030500200000000, 0.0000000000000000, 0.0029483100000000 ] - [ 0.0141354600000000, 0.0101022600000000, -0.0027715700000000 ] - [ 0.0137453700000000, -0.0084874900000000, 0.0034954700000000 ] - [ -0.0033579700000000, 0.0033866700000000, 0.0051748100000000 ] - [ 0.0001496900000000, 0.0000000000000000, 0.0015354600000000 ] - [ 0.0022019100000000, -0.0001795900000000, -0.0003049500000000 ] - [ 0.0031597700000000, 0.0000000000000000, -0.0109867200000000 ] - [ -0.0002475200000000, -0.0001347700000000, -0.0005836500000000 ] - [ 0.0002011300000000, 0.0000000000000000, -0.0005917500000000 ] - [ -0.0017936500000000, 0.0000000000000000, -0.0024438200000000 ] - [ -0.0016669700000000, -0.0004658100000000, -0.0008670500000000 ] - [ -0.0004866900000000, 0.0000000000000000, -0.0004372700000000 ] - [ -0.0002475200000000, 0.0001347700000000, -0.0005836500000000 ] - [ -0.0004556500000000, 0.0000000000000000, -0.0002875200000000 ] - [ -0.0016669700000000, 0.0004658100000000, -0.0008670500000000 ] - [ -0.0000158300000000, 0.0000419400000000, -0.0000547200000000 ] - [ 0.0001714300000000, 0.0000000000000000, -0.0001374900000000 ] - [ 0.0000807400000000, 0.0000000000000000, 0.0000982000000000 ] - [ -0.0000158300000000, -0.0000419400000000, -0.0000547200000000 ] - [ -0.0000017800000000, -0.0001612700000000, 0.0000164000000000 ] - [ -0.0000793800000000, 0.0000000000000000, 0.0000230000000000 ] - [ -0.0001689800000000, 0.0000000000000000, -0.0003606900000000 ] - [ -0.0001034100000000, 0.0001404700000000, 0.0000229100000000 ] - [ -0.0000537300000000, -0.0000853800000000, -0.0001401300000000 ] - [ 0.0001456400000000, 0.0000000000000000, -0.0001620800000000 ] - [ 0.0001520300000000, 0.0000000000000000, -0.0001913900000000 ] - [ -0.0000461700000000, -0.0000342400000000, -0.0005468600000000 ] - [ -0.0000018900000000, 0.0000000000000000, 0.0013983900000000 ] - [ 0.0000145000000000, 0.0000239600000000, 0.0005229400000000 ] - [ -0.0000461700000000, 0.0000342400000000, -0.0005468600000000 ] - [ 0.0001706000000000, 0.0000000000000000, -0.0003392500000000 ] - [ 0.0035213100000000, 0.0004163200000000, -0.0011807700000000 ] - [ 0.0010048700000000, 0.0000000000000000, -0.0005206900000000 ] - [ 0.0004133100000000, 0.0000000000000000, -0.0000787700000000 ] - [ 0.0072466100000000, 0.0000000000000000, 0.0005063300000000 ] - [ 0.0009510900000000, 0.0001094000000000, 0.0009606400000000 ] - [ 0.0035213100000000, -0.0004163200000000, -0.0011807700000000 ] - [ 0.0034715400000000, 0.0000000000000000, 0.0033233800000000 ] - [ 0.0009510900000000, -0.0001094000000000, 0.0009606400000000 ] - [ 0.0059685700000000, 0.0000000000000000, -0.0005076700000000 ] - [ -0.0022536000000000, 0.0000000000000000, -0.0028896600000000 ] - [ 0.0137453700000000, 0.0084874900000000, 0.0034954700000000 ] - [ 0.0141354600000000, -0.0101022600000000, -0.0027715700000000 ]- atom: 88 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0042251400000000, 0.0000000000000000, 0.0004294600000000 ] - [ 0.0031090800000000, 0.0000000000000000, -0.0002199800000000 ] - [ 0.0017559500000000, 0.0025565200000000, -0.0029602900000000 ] - [ 0.0000580900000000, 0.0000000000000000, -0.0012166400000000 ] - [ 0.0013125400000000, -0.0001697100000000, 0.0022882500000000 ] - [ 0.0001792000000000, 0.0000427200000000, 0.0001063300000000 ] - [ 0.0003674400000000, 0.0000000000000000, 0.0006055900000000 ] - [ 0.0001792000000000, -0.0000427200000000, 0.0001063300000000 ] - [ 0.0010035800000000, 0.0000000000000000, 0.0000497100000000 ] - [ -0.0000402100000000, 0.0000000000000000, -0.0000214500000000 ] - [ 0.0000785100000000, -0.0000637100000000, -0.0003226100000000 ] - [ -0.0003144900000000, 0.0000000000000000, -0.0012208400000000 ] - [ 0.0003624800000000, 0.0000000000000000, -0.0001675400000000 ] - [ 0.0001483000000000, 0.0000000000000000, -0.0005103000000000 ] - [ 0.0000785100000000, 0.0000637100000000, -0.0003226100000000 ] - [ 0.0004153000000000, 0.0000000000000000, -0.0001832400000000 ] - [ -0.0010671800000000, 0.0000609000000000, 0.0006226900000000 ] - [ -0.0310823900000000, 0.0000000000000000, -0.0034233000000000 ] - [ 0.0090812000000000, 0.0008616900000000, 0.0027215400000000 ] - [ -0.0086081200000000, 0.0000000000000000, 0.0006914900000000 ] - [ -0.0010671800000000, -0.0000609000000000, 0.0006226900000000 ] - [ -0.0261117200000000, -0.0025538800000000, 0.0018740600000000 ] - [ 0.0012790200000000, 0.0000000000000000, 0.0024164600000000 ] - [ -0.0059802300000000, 0.0000000000000000, -0.0041431200000000 ] - [ -0.0229452100000000, 0.0000000000000000, -0.0001126600000000 ] - [ -0.0049054600000000, 0.0000000000000000, 0.0007025300000000 ] - [ 0.0013125400000000, 0.0001697100000000, 0.0022882500000000 ] - [ -0.0004356600000000, 0.0000000000000000, 0.0005094900000000 ] - [ 0.0017559500000000, -0.0025565200000000, -0.0029602900000000 ] - [ -0.0001798200000000, -0.0000011400000000, -0.0000956100000000 ] - [ -0.0002401100000000, 0.0000000000000000, -0.0004387900000000 ] - [ -0.0001798200000000, 0.0000011400000000, -0.0000956100000000 ] - [ -0.0017279600000000, 0.0000000000000000, 0.0000226300000000 ] - [ 0.0000404900000000, 0.0000000000000000, -0.0000165000000000 ] - [ 0.0001135800000000, -0.0000806000000000, -0.0004080300000000 ] - [ 0.0005255900000000, 0.0000000000000000, 0.0003753500000000 ] - [ 0.0002336300000000, 0.0000000000000000, -0.0000501300000000 ] - [ -0.0001556300000000, 0.0000000000000000, -0.0001400800000000 ] - [ 0.0001135800000000, 0.0000806000000000, -0.0004080300000000 ] - [ 0.0002945100000000, 0.0000000000000000, -0.0001428700000000 ] - [ 0.0009204500000000, 0.0002441800000000, -0.0003925900000000 ] - [ 0.0058388300000000, 0.0000000000000000, -0.0052081300000000 ] - [ -0.0261117200000000, 0.0025538800000000, 0.0018740600000000 ] - [ 0.0032096400000000, 0.0000000000000000, 0.0003868200000000 ] - [ 0.0009204500000000, -0.0002441800000000, -0.0003925900000000 ] - [ 0.0090812000000000, -0.0008616900000000, 0.0027215400000000 ] - [ -0.0008167800000000, 0.0000000000000000, -0.0016251200000000 ] - [ 0.0112647900000000, 0.0000000000000000, 0.0038236100000000 ] - [ -0.0000955400000000, 0.0000000000000000, -0.0001851300000000 ] - [ 0.0001782100000000, 0.0000000000000000, 0.0001610400000000 ] - [ 0.0000411000000000, 0.0000000000000000, 0.0027463600000000 ] - [ -0.0000896300000000, 0.0000000000000000, -0.0002640600000000 ] - [ -0.0000715300000000, 0.0000000000000000, -0.0002343100000000 ] - [ -0.0000663600000000, 0.0000000000000000, -0.0001216300000000 ] - [ 0.0040803800000000, 0.0000000000000000, -0.0017160700000000 ] - [ 0.0000717600000000, 0.0000000000000000, -0.0002520300000000 ] - [ -0.0022167400000000, -0.0001030700000000, 0.0005354700000000 ] - [ -0.0015301500000000, 0.0000000000000000, 0.0015553800000000 ] - [ 0.0033042300000000, 0.0033250700000000, -0.0049961900000000 ] - [ -0.0017045400000000, 0.0000000000000000, -0.0016258700000000 ] - [ -0.0002871300000000, -0.0001248100000000, -0.0006550000000000 ] - [ -0.0001145100000000, 0.0000000000000000, -0.0010205700000000 ] - [ -0.0021027100000000, 0.0000000000000000, -0.0024415200000000 ] - [ -0.0010701200000000, 0.0000862600000000, -0.0006559000000000 ] - [ -0.0005073400000000, 0.0000000000000000, -0.0004358400000000 ] - [ -0.0002871300000000, 0.0001248100000000, -0.0006550000000000 ] - [ -0.0004611200000000, 0.0000000000000000, -0.0001541700000000 ] - [ -0.0010701200000000, -0.0000862600000000, -0.0006559000000000 ] - [ -0.0000170700000000, 0.0000426300000000, -0.0000603600000000 ] - [ 0.0001672900000000, 0.0000000000000000, -0.0001531800000000 ] - [ 0.0000919900000000, 0.0000000000000000, 0.0000945900000000 ] - [ -0.0000170700000000, -0.0000426300000000, -0.0000603600000000 ] - [ -0.0000007500000000, -0.0001581600000000, 0.0000164300000000 ] - [ -0.0000839100000000, 0.0000000000000000, 0.0000189200000000 ] - [ -0.0001679700000000, 0.0000000000000000, -0.0003624400000000 ] - [ -0.0001025100000000, 0.0001372700000000, 0.0000235000000000 ] - [ -0.0000545200000000, -0.0000642900000000, -0.0002218000000000 ] - [ 0.0001445700000000, 0.0000000000000000, -0.0001789300000000 ] - [ 0.0001540400000000, 0.0000000000000000, -0.0001970600000000 ] - [ -0.0000373400000000, -0.0000298900000000, -0.0005440400000000 ] - [ -0.0006827400000000, 0.0000000000000000, 0.0013850500000000 ] - [ 0.0000094000000000, 0.0000032300000000, 0.0004389000000000 ] - [ -0.0000373400000000, 0.0000298900000000, -0.0005440400000000 ] - [ 0.0002090300000000, 0.0000000000000000, -0.0001873200000000 ] - [ 0.0048376100000000, -0.0039149600000000, -0.0095834600000000 ] - [ 0.0007867200000000, 0.0000000000000000, -0.0011597200000000 ] - [ 0.0004761500000000, 0.0000000000000000, -0.0000810800000000 ] - [ 0.1380402500000000, 0.0000000000000000, 0.0025415600000000 ] - [ 0.0017298000000000, 0.0007012900000000, 0.0012853700000000 ] - [ 0.0048376100000000, 0.0039149600000000, -0.0095834600000000 ] - [ -0.0027881200000000, 0.0000000000000000, 0.0202403500000000 ] - [ 0.0017298000000000, -0.0007012900000000, 0.0012853700000000 ] - [ 0.0091800800000000, 0.0000000000000000, -0.0007579400000000 ] - [ -0.0026402900000000, 0.0000000000000000, -0.0028956700000000 ] - [ -0.0140885400000000, -0.0096906500000000, 0.0036991100000000 ] - [ -0.0140732800000000, 0.0083939000000000, -0.0025617400000000 ] - [ 0.0033042300000000, -0.0033250700000000, -0.0049961900000000 ] - [ -0.0003641500000000, 0.0000000000000000, -0.0020740400000000 ] - [ -0.0022167400000000, 0.0001030700000000, 0.0005354700000000 ] - [ -0.0038531500000000, 0.0000000000000000, 0.0100518500000000 ] - [ -0.0000136100000000, -0.0000922300000000, -0.0000855400000000 ] - [ -0.0005865200000000, 0.0000000000000000, 0.0006187500000000 ] - [ 0.0013742400000000, 0.0000000000000000, 0.0023278500000000 ] - [ 0.0015077600000000, 0.0004814000000000, 0.0005385600000000 ] - [ -0.0004169000000000, 0.0000000000000000, -0.0003090000000000 ] - [ -0.0000136100000000, 0.0000922300000000, -0.0000855400000000 ] - [ 0.0002938600000000, 0.0000000000000000, -0.0001719700000000 ] - [ 0.0015077600000000, -0.0004814000000000, 0.0005385600000000 ] - [ -0.0000328500000000, 0.0000422500000000, -0.0000633400000000 ] - [ 0.0002236700000000, 0.0000000000000000, -0.0000309000000000 ] - [ 0.0004992400000000, 0.0000000000000000, 0.0001151200000000 ] - [ -0.0000328500000000, -0.0000422500000000, -0.0000633400000000 ] - [ -0.0001025100000000, -0.0001372700000000, 0.0000235000000000 ] - [ -0.0000244600000000, 0.0000000000000000, 0.0001018900000000 ] - [ -0.0001945500000000, 0.0000000000000000, -0.0003283600000000 ] - [ -0.0000007500000000, 0.0001581600000000, 0.0000164300000000 ] - [ 0.0000094000000000, -0.0000032300000000, 0.0004389000000000 ] - [ 0.0001196100000000, 0.0000000000000000, -0.0003242500000000 ] - [ 0.0001897900000000, 0.0000000000000000, -0.0002490700000000 ] - [ -0.0001314400000000, -0.0000282000000000, -0.0004713700000000 ] - [ 0.0002260900000000, 0.0000000000000000, -0.0010801400000000 ] - [ -0.0000545200000000, 0.0000642900000000, -0.0002218000000000 ] - [ -0.0001314400000000, 0.0000282000000000, -0.0004713700000000 ] - [ -0.0005565300000000, 0.0000000000000000, -0.0000618800000000 ] - [ -0.0034819900000000, -0.0000929200000000, 0.0015679400000000 ] - [ -0.0001949600000000, 0.0000000000000000, 0.0008070800000000 ] - [ -0.0002848000000000, 0.0000000000000000, -0.0001951600000000 ] - [ -0.0073375100000000, 0.0000000000000000, 0.0002444600000000 ] - [ -0.0009596500000000, 0.0002629100000000, -0.0000584800000000 ] - [ -0.0034819900000000, 0.0000929200000000, 0.0015679400000000 ] - [ -0.0033345500000000, 0.0000000000000000, -0.0022441700000000 ] - [ -0.0009596500000000, -0.0002629100000000, -0.0000584800000000 ] - [ -0.0058563600000000, 0.0000000000000000, 0.0011849500000000 ] - [ 0.0026311900000000, 0.0000000000000000, 0.0029621800000000 ] - [ -0.0140732800000000, -0.0083939000000000, -0.0025617400000000 ] - [ -0.0140885400000000, 0.0096906500000000, 0.0036991100000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001424300000000, -0.0004880100000000, 0.0002914200000000 ] - [ -0.0000666000000000, 0.0001111200000000, -0.0003910000000000 ] - [ -0.0001001200000000, 0.0001014500000000, 0.0002182500000000 ] - [ -0.0001146000000000, 0.0000574900000000, -0.0003535300000000 ] - [ 0.0025783000000000, 0.0000433800000000, 0.0012932700000000 ] - [ -0.0000386600000000, 0.0000046900000000, -0.0000049000000000 ] - [ -0.0000995400000000, -0.0000715800000000, 0.0000818800000000 ] - [ 0.0000007200000000, -0.0000033200000000, 0.0000196000000000 ] - [ -0.0000994000000000, -0.0000130200000000, 0.0000605600000000 ] - [ -0.0000027600000000, -0.0000020100000000, -0.0000228100000000 ] - [ 0.0000968000000000, -0.0000730200000000, -0.0003715600000000 ] - [ 0.0000460800000000, 0.0003740700000000, -0.0002103700000000 ] - [ 0.0003028400000000, 0.0000042300000000, -0.0001118700000000 ] - [ 0.0000283300000000, 0.0000372600000000, -0.0003288900000000 ] - [ 0.0000997700000000, 0.0000746400000000, -0.0003673600000000 ] - [ 0.0003545200000000, 0.0000035200000000, -0.0001644700000000 ] - [ -0.0001519400000000, 0.0000511800000000, -0.0003890400000000 ] - [ -0.0000387700000000, 0.0196007900000000, 0.0003114700000000 ] - [ 0.0018252500000000, 0.0003987000000000, 0.0017941800000000 ] - [ 0.0001935400000000, 0.0061495000000000, 0.0005412100000000 ] - [ 0.0002666900000000, -0.0000348400000000, 0.0003976700000000 ] - [ 0.0055542300000000, 0.0211248200000000, -0.0053653100000000 ] - [ 0.0001985100000000, 0.0004911300000000, 0.0003812300000000 ] - [ 0.0001009500000000, -0.0102792200000000, -0.0001398400000000 ] - [ 0.0001760900000000, 0.0196315400000000, 0.0000270500000000 ] - [ -0.0000650500000000, -0.0045645900000000, -0.0003966300000000 ] - [ -0.0024140300000000, 0.0001199900000000, -0.0013698300000000 ] - [ -0.0001140000000000, 0.0001215200000000, -0.0003556800000000 ] - [ 0.0002511300000000, 0.0000549800000000, -0.0002873800000000 ] - [ -0.0000376300000000, 0.0000053800000000, -0.0000090500000000 ] - [ -0.0001001100000000, -0.0002574000000000, 0.0000834600000000 ] - [ 0.0000004500000000, -0.0000030800000000, 0.0000244800000000 ] - [ -0.0000955900000000, 0.0005163400000000, 0.0000626800000000 ] - [ -0.0000028600000000, -0.0000021800000000, -0.0000228900000000 ] - [ 0.0000964700000000, -0.0000731600000000, -0.0003710900000000 ] - [ 0.0000463800000000, 0.0000179400000000, -0.0002083800000000 ] - [ 0.0003030500000000, 0.0000039700000000, -0.0001120600000000 ] - [ 0.0000280100000000, 0.0000307500000000, -0.0003287300000000 ] - [ 0.0001001200000000, 0.0000746000000000, -0.0003680300000000 ] - [ 0.0003543800000000, 0.0000024500000000, -0.0001645600000000 ] - [ 0.0000476700000000, 0.0000447600000000, 0.0000176500000000 ] - [ -0.0001292500000000, -0.0046316300000000, 0.0002957700000000 ] - [ -0.0048044400000000, 0.0198501800000000, 0.0051114300000000 ] - [ 0.0002062800000000, -0.0002972600000000, 0.0005476900000000 ] - [ 0.0000704500000000, -0.0000421500000000, -0.0000099500000000 ] - [ -0.0020502400000000, 0.0001676500000000, -0.0008437600000000 ] - [ 0.0001978400000000, -0.0005381000000000, 0.0003860300000000 ] - [ 0.0000287200000000, 0.0052001800000000, -0.0001299100000000 ] - [ -0.0000841000000000, -0.0000025000000000, -0.0002118900000000 ] - [ 0.0000290200000000, -0.0000212100000000, 0.0000173400000000 ] - [ 0.0001349700000000, -0.0043839900000000, 0.0005205500000000 ] - [ -0.0000109200000000, 0.0000016200000000, -0.0002605600000000 ] - [ -0.0000840500000000, -0.0000031400000000, -0.0002120400000000 ] - [ 0.0000289000000000, -0.0000393100000000, 0.0000170300000000 ] - [ 0.0001394900000000, 0.0004517000000000, 0.0005155900000000 ] - [ -0.0000106900000000, 0.0000021300000000, -0.0002604400000000 ] - [ 0.0000756400000000, -0.0000092100000000, -0.0001277300000000 ] - [ -0.0000960300000000, -0.0000094300000000, -0.0002667500000000 ] - [ -0.0034271100000000, 0.0029176900000000, -0.0082873400000000 ] - [ -0.0003425900000000, 0.0008457300000000, -0.0005093100000000 ] - [ -0.0000879200000000, -0.0001144200000000, -0.0002698400000000 ] - [ -0.0001948800000000, -0.0009665200000000, 0.0000120100000000 ] - [ -0.0002188100000000, -0.0009571400000000, -0.0000611700000000 ] - [ -0.0000471300000000, 0.0000046300000000, -0.0001759700000000 ] - [ -0.0004505000000000, 0.0000106000000000, -0.0003721800000000 ] - [ -0.0001724400000000, 0.0001119900000000, -0.0004000500000000 ] - [ -0.0000814900000000, -0.0000003400000000, -0.0002299300000000 ] - [ -0.0001200200000000, -0.0000118800000000, -0.0001520200000000 ] - [ -0.0000248300000000, 0.0000423200000000, -0.0000564400000000 ] - [ 0.0001970600000000, -0.0000047000000000, -0.0000826200000000 ] - [ 0.0002887800000000, -0.0000048600000000, 0.0001089300000000 ] - [ -0.0000242000000000, -0.0000420200000000, -0.0000588700000000 ] - [ -0.0000530600000000, -0.0001482100000000, 0.0000246100000000 ] - [ -0.0000518900000000, 0.0000031700000000, 0.0000636700000000 ] - [ -0.0001821100000000, 0.0000006800000000, -0.0003427400000000 ] - [ -0.0000507300000000, 0.0001495600000000, 0.0000198200000000 ] - [ 0.0000118000000000, -0.0000506800000000, 0.0002262200000000 ] - [ 0.0001329200000000, -0.0000047000000000, -0.0002428200000000 ] - [ 0.0001707300000000, -0.0000007000000000, -0.0002200500000000 ] - [ -0.0000909000000000, -0.0000316500000000, -0.0005035200000000 ] - [ 0.0001074100000000, -0.0000596400000000, 0.0001567800000000 ] - [ 0.0000335800000000, 0.0000270400000000, 0.0000916500000000 ] - [ -0.0000874300000000, 0.0000295700000000, -0.0005128700000000 ] - [ -0.0001936700000000, 0.0000273900000000, -0.0001982000000000 ] - [ 0.0038051400000000, 0.0037331300000000, 0.0154899800000000 ] - [ 0.0004063700000000, -0.0012210600000000, 0.0001418500000000 ] - [ 0.0000644300000000, -0.0000710800000000, -0.0001355300000000 ] - [ -0.0011613700000000, -0.1298676900000000, 0.0019318900000000 ] - [ -0.0006281100000000, 0.0000731600000000, 0.0010469800000000 ] - [ -0.0037967300000000, 0.0033691500000000, -0.0152021100000000 ] - [ 0.0000407100000000, -0.0051769300000000, 0.0006010400000000 ] - [ 0.0006197000000000, -0.0003036500000000, -0.0001348600000000 ] - [ 0.0000546900000000, 0.0390707600000000, 0.0003042300000000 ] - [ 0.0002027600000000, -0.0014474600000000, 0.0000393500000000 ] - [ 0.0086206200000000, 0.0036062200000000, -0.0010569400000000 ] - [ -0.0097345500000000, 0.0036035800000000, -0.0013143700000000 ] - [ 0.0034363800000000, 0.0029817400000000, 0.0085607100000000 ] - [ -0.0001032000000000, 0.0017362000000000, -0.0002607000000000 ] - [ -0.0000851200000000, -0.0000881500000000, 0.0003475100000000 ] - [ -0.0003205400000000, -0.0039936700000000, -0.0005492100000000 ] - [ -0.0001629200000000, -0.0001302500000000, -0.0002717500000000 ] - [ -0.0001945800000000, 0.0000779700000000, 0.0000111900000000 ] - [ -0.0002252300000000, 0.0011823200000000, -0.0000537900000000 ] - [ -0.0006844100000000, 0.0000521800000000, 0.0002043700000000 ] - [ -0.0004506300000000, 0.0000074000000000, -0.0003723000000000 ] - [ -0.0000973800000000, 0.0000961200000000, -0.0003995500000000 ] - [ -0.0000829200000000, 0.0000168700000000, -0.0002298300000000 ] - [ 0.0005124900000000, 0.0000423400000000, -0.0005371700000000 ] - [ -0.0000250000000000, 0.0000423000000000, -0.0000563600000000 ] - [ 0.0001970400000000, -0.0000039200000000, -0.0000826600000000 ] - [ 0.0002883900000000, -0.0000279200000000, 0.0001085800000000 ] - [ -0.0000242000000000, -0.0000421000000000, -0.0000590000000000 ] - [ -0.0000541100000000, -0.0001476600000000, 0.0000245200000000 ] - [ -0.0000518800000000, 0.0000025800000000, 0.0000636800000000 ] - [ -0.0001820600000000, 0.0000008700000000, -0.0003427100000000 ] - [ -0.0000521000000000, 0.0001490200000000, 0.0000196300000000 ] - [ -0.0000755400000000, -0.0000597400000000, 0.0002104800000000 ] - [ 0.0001330100000000, -0.0000062000000000, -0.0002429000000000 ] - [ 0.0001706900000000, -0.0000004300000000, -0.0002198300000000 ] - [ -0.0000926100000000, -0.0000321000000000, -0.0005022900000000 ] - [ 0.0001095800000000, 0.0007523200000000, 0.0001546200000000 ] - [ -0.0000532100000000, 0.0000358300000000, 0.0000749200000000 ] - [ -0.0000858000000000, 0.0000292400000000, -0.0005142600000000 ] - [ -0.0001941400000000, -0.0000120400000000, -0.0001983400000000 ] - [ 0.0005368900000000, 0.0003152900000000, -0.0004842600000000 ] - [ 0.0004074100000000, 0.0000776300000000, 0.0001439500000000 ] - [ 0.0000640300000000, 0.0000091500000000, -0.0001358600000000 ] - [ -0.0000427100000000, 0.0017442300000000, 0.0003734300000000 ] - [ 0.0000277800000000, 0.0001917700000000, 0.0004151100000000 ] - [ -0.0004943600000000, -0.0000089600000000, 0.0008825000000000 ] - [ 0.0000674700000000, 0.0013507400000000, 0.0005537300000000 ] - [ -0.0000399300000000, -0.0001807100000000, 0.0004941800000000 ] - [ 0.0000590100000000, -0.0014943900000000, 0.0003381100000000 ] - [ 0.0002091400000000, 0.0018640400000000, 0.0000242000000000 ] - [ 0.0095148000000000, 0.0038759900000000, 0.0022687100000000 ] - [ -0.0086864000000000, 0.0033707700000000, 0.0020201000000000 ]- atom: 88 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0008879800000000, 0.0000000000000000, 0.0063431400000000 ] - [ -0.0001463000000000, 0.0000000000000000, 0.0008259500000000 ] - [ 0.0042547200000000, 0.0039860500000000, -0.0011360900000000 ] - [ 0.0002269900000000, 0.0000000000000000, -0.0027014700000000 ] - [ -0.0073303200000000, -0.0005918600000000, -0.0014198800000000 ] - [ -0.0005037300000000, 0.0000453500000000, -0.0030169900000000 ] - [ -0.0015506200000000, 0.0000000000000000, -0.0023631900000000 ] - [ -0.0005037300000000, -0.0000453500000000, -0.0030169900000000 ] - [ -0.0002249000000000, 0.0000000000000000, -0.0013742100000000 ] - [ -0.0001039600000000, 0.0000000000000000, -0.0032891100000000 ] - [ -0.0000697500000000, -0.0002347000000000, -0.0031699100000000 ] - [ 0.0015631500000000, 0.0000000000000000, -0.0037618600000000 ] - [ 0.0004381800000000, 0.0000000000000000, -0.0029338900000000 ] - [ 0.0002115800000000, 0.0000000000000000, -0.0036348800000000 ] - [ -0.0000697500000000, 0.0002347000000000, -0.0031699100000000 ] - [ 0.0004836500000000, 0.0000000000000000, -0.0028373300000000 ] - [ -0.0001731100000000, -0.0000954700000000, -0.0039632300000000 ] - [ 0.0089033500000000, 0.0000000000000000, 0.0344908400000000 ] - [ -0.0020007000000000, 0.0002838300000000, 0.0060244200000000 ] - [ 0.0015212600000000, 0.0000000000000000, -0.0093287200000000 ] - [ -0.0001731100000000, 0.0000954700000000, -0.0039632300000000 ] - [ 0.0011071700000000, -0.0049098500000000, 0.0344821500000000 ] - [ -0.0030758400000000, 0.0000000000000000, -0.0000004700000000 ] - [ 0.0035333900000000, 0.0000000000000000, 0.0119523300000000 ] - [ 0.0037578800000000, 0.0000000000000000, 0.0898537400000000 ] - [ 0.0058979300000000, 0.0000000000000000, -0.0043305200000000 ] - [ -0.0073303200000000, 0.0005918600000000, -0.0014198800000000 ] - [ -0.0003734500000000, 0.0000000000000000, -0.0041999700000000 ] - [ 0.0042547200000000, -0.0039860500000000, -0.0011360900000000 ] - [ -0.0000539900000000, 0.0000252500000000, -0.0033209600000000 ] - [ 0.0010613400000000, 0.0000000000000000, -0.0030369000000000 ] - [ -0.0000539900000000, -0.0000252500000000, -0.0033209600000000 ] - [ 0.0002976400000000, 0.0000000000000000, -0.0044616200000000 ] - [ -0.0001042300000000, 0.0000000000000000, -0.0031936100000000 ] - [ 0.0000662100000000, -0.0002134300000000, -0.0030869800000000 ] - [ -0.0016207200000000, 0.0000000000000000, -0.0022340100000000 ] - [ 0.0002943100000000, 0.0000000000000000, -0.0030396700000000 ] - [ -0.0001459300000000, 0.0000000000000000, -0.0040689700000000 ] - [ 0.0000662100000000, 0.0002134300000000, -0.0030869800000000 ] - [ 0.0005863700000000, 0.0000000000000000, -0.0029558300000000 ] - [ 0.0003987700000000, 0.0002625400000000, -0.0016984900000000 ] - [ 0.0007584700000000, 0.0000000000000000, 0.0075481600000000 ] - [ 0.0011071700000000, 0.0049098500000000, 0.0344821500000000 ] - [ -0.0002906500000000, 0.0000000000000000, 0.0018542000000000 ] - [ 0.0003987700000000, -0.0002625400000000, -0.0016984900000000 ] - [ -0.0020007000000000, -0.0002838300000000, 0.0060244200000000 ] - [ 0.0034351500000000, 0.0000000000000000, -0.0007636500000000 ] - [ -0.0043697900000000, 0.0000000000000000, 0.0081783300000000 ] - [ -0.0000287300000000, 0.0000000000000000, -0.0022561600000000 ] - [ -0.0003159400000000, 0.0000000000000000, -0.0020179100000000 ] - [ -0.0047642000000000, 0.0000000000000000, 0.0021788800000000 ] - [ 0.0000539200000000, 0.0000000000000000, -0.0026330500000000 ] - [ -0.0000022300000000, 0.0000000000000000, -0.0022572900000000 ] - [ 0.0003686800000000, 0.0000000000000000, -0.0021862000000000 ] - [ 0.0045414500000000, 0.0000000000000000, 0.0026616900000000 ] - [ -0.0000736000000000, 0.0000000000000000, -0.0022502200000000 ] - [ -0.0011529900000000, -0.0008799200000000, -0.0021205800000000 ] - [ -0.0022863300000000, 0.0000000000000000, 0.0017556100000000 ] - [ 0.0048981000000000, -0.0083139300000000, 0.0116778000000000 ] - [ 0.0029750200000000, 0.0000000000000000, -0.0028263800000000 ] - [ 0.0006212900000000, -0.0001333300000000, 0.0015840300000000 ] - [ 0.0015901400000000, 0.0000000000000000, 0.0026875700000000 ] - [ 0.0025897300000000, 0.0000000000000000, -0.0026510400000000 ] - [ 0.0007058400000000, -0.0001201600000000, 0.0002500300000000 ] - [ -0.0005300600000000, 0.0000000000000000, 0.0015583000000000 ] - [ 0.0006212900000000, 0.0001333300000000, 0.0015840300000000 ] - [ -0.0001894300000000, 0.0000000000000000, 0.0013993800000000 ] - [ 0.0007058400000000, 0.0001201600000000, 0.0002500300000000 ] - [ -0.0000460600000000, 0.0000668500000000, 0.0018689500000000 ] - [ 0.0001820200000000, 0.0000000000000000, 0.0018919800000000 ] - [ 0.0002241000000000, 0.0000000000000000, 0.0018129500000000 ] - [ -0.0000460600000000, -0.0000668500000000, 0.0018689500000000 ] - [ 0.0002526900000000, 0.0000189300000000, 0.0019355000000000 ] - [ 0.0000407600000000, 0.0000000000000000, 0.0020384800000000 ] - [ -0.0001802500000000, 0.0000000000000000, 0.0015833000000000 ] - [ 0.0001977900000000, -0.0000255100000000, 0.0017942000000000 ] - [ 0.0005006900000000, 0.0000093500000000, 0.0024223700000000 ] - [ 0.0000263000000000, 0.0000000000000000, 0.0017371200000000 ] - [ 0.0001693700000000, 0.0000000000000000, 0.0020609900000000 ] - [ -0.0000489400000000, -0.0000514300000000, 0.0015981500000000 ] - [ -0.0013517500000000, 0.0000000000000000, 0.0018297500000000 ] - [ -0.0004870400000000, -0.0000034200000000, 0.0020335400000000 ] - [ -0.0000489400000000, 0.0000514300000000, 0.0015981500000000 ] - [ -0.0001472700000000, 0.0000000000000000, 0.0022717700000000 ] - [ 0.0081191300000000, 0.0151907600000000, 0.0212555500000000 ] - [ 0.0019169300000000, 0.0000000000000000, 0.0034092500000000 ] - [ -0.0000160400000000, 0.0000000000000000, 0.0022143700000000 ] - [ -0.0196558700000000, 0.0000000000000000, -0.2513287100000000 ] - [ -0.0011002200000000, 0.0007477700000000, 0.0036231100000000 ] - [ 0.0081191300000000, -0.0151907600000000, 0.0212555500000000 ] - [ -0.0174228700000000, 0.0000000000000000, 0.0179214600000000 ] - [ -0.0011002200000000, -0.0007477700000000, 0.0036231100000000 ] - [ 0.0007130800000000, 0.0000000000000000, -0.0105189600000000 ] - [ 0.0035723700000000, 0.0000000000000000, -0.0027977100000000 ] - [ 0.0012967600000000, 0.0030370100000000, -0.0074687900000000 ] - [ 0.0011326200000000, -0.0024195100000000, -0.0063619700000000 ] - [ 0.0048981000000000, 0.0083139300000000, 0.0116778000000000 ] - [ 0.0023905700000000, 0.0000000000000000, 0.0047579500000000 ] - [ -0.0011529900000000, 0.0008799200000000, -0.0021205800000000 ] - [ -0.0107880300000000, 0.0000000000000000, 0.0091112100000000 ] - [ -0.0002622300000000, -0.0002688900000000, 0.0013363800000000 ] - [ -0.0012841500000000, 0.0000000000000000, 0.0003957400000000 ] - [ -0.0028791900000000, 0.0000000000000000, -0.0033745000000000 ] - [ -0.0014200400000000, 0.0006839300000000, 0.0024330800000000 ] - [ -0.0006806300000000, 0.0000000000000000, 0.0016110800000000 ] - [ -0.0002622300000000, 0.0002688900000000, 0.0013363800000000 ] - [ -0.0003173500000000, 0.0000000000000000, 0.0020770400000000 ] - [ -0.0014200400000000, -0.0006839300000000, 0.0024330800000000 ] - [ -0.0000156700000000, 0.0000679400000000, 0.0018821600000000 ] - [ 0.0000338300000000, 0.0000000000000000, 0.0019454700000000 ] - [ -0.0000721100000000, 0.0000000000000000, 0.0024836100000000 ] - [ -0.0000156700000000, -0.0000679400000000, 0.0018821600000000 ] - [ 0.0001977900000000, 0.0000255100000000, 0.0017942000000000 ] - [ -0.0001159100000000, 0.0000000000000000, 0.0020332900000000 ] - [ -0.0002419200000000, 0.0000000000000000, 0.0015182100000000 ] - [ 0.0002526900000000, -0.0000189300000000, 0.0019355000000000 ] - [ -0.0004870400000000, 0.0000034200000000, 0.0020335400000000 ] - [ 0.0002039400000000, 0.0000000000000000, 0.0017802700000000 ] - [ 0.0002277900000000, 0.0000000000000000, 0.0021551700000000 ] - [ -0.0001207500000000, -0.0000484900000000, 0.0013838000000000 ] - [ 0.0016602800000000, 0.0000000000000000, 0.0036902500000000 ] - [ 0.0005006900000000, -0.0000093500000000, 0.0024223700000000 ] - [ -0.0001207500000000, 0.0000484900000000, 0.0013838000000000 ] - [ -0.0003630700000000, 0.0000000000000000, 0.0014491500000000 ] - [ -0.0001265600000000, -0.0000478900000000, -0.0027834700000000 ] - [ -0.0005650200000000, 0.0000000000000000, 0.0003792900000000 ] - [ 0.0001370800000000, 0.0000000000000000, 0.0011449400000000 ] - [ 0.0011280800000000, 0.0000000000000000, -0.0043997000000000 ] - [ 0.0007208600000000, -0.0000047400000000, 0.0006405400000000 ] - [ -0.0001265600000000, 0.0000478900000000, -0.0027834700000000 ] - [ 0.0019877100000000, 0.0000000000000000, -0.0022172600000000 ] - [ 0.0007208600000000, 0.0000047400000000, 0.0006405400000000 ] - [ 0.0018375500000000, 0.0000000000000000, -0.0033984000000000 ] - [ -0.0030960600000000, 0.0000000000000000, -0.0043256200000000 ] - [ 0.0011326200000000, 0.0024195100000000, -0.0063619700000000 ] - [ 0.0012967600000000, -0.0030370100000000, -0.0074687900000000 ]- atom: 88 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0011739000000000, 0.0000000000000000, -0.0056978500000000 ] - [ 0.0000203600000000, 0.0000000000000000, -0.0015884700000000 ] - [ -0.0040655900000000, -0.0038865500000000, 0.0010625100000000 ] - [ -0.0004533700000000, 0.0000000000000000, 0.0019844400000000 ] - [ 0.0074367900000000, 0.0005127800000000, 0.0013439700000000 ] - [ 0.0004633600000000, -0.0000367100000000, 0.0030225400000000 ] - [ 0.0013415800000000, 0.0000000000000000, 0.0025215600000000 ] - [ 0.0004633600000000, 0.0000367100000000, 0.0030225400000000 ] - [ 0.0000266400000000, 0.0000000000000000, 0.0014959100000000 ] - [ 0.0000981900000000, 0.0000000000000000, 0.0032321000000000 ] - [ 0.0002660200000000, 0.0000866000000000, 0.0024208900000000 ] - [ -0.0014700800000000, 0.0000000000000000, 0.0033349800000000 ] - [ 0.0001684100000000, 0.0000000000000000, 0.0027005800000000 ] - [ -0.0001550200000000, 0.0000000000000000, 0.0029642100000000 ] - [ 0.0002660200000000, -0.0000866000000000, 0.0024208900000000 ] - [ 0.0002262100000000, 0.0000000000000000, 0.0024981200000000 ] - [ 0.0002856100000000, 0.0001764300000000, 0.0039666100000000 ] - [ -0.0107016600000000, 0.0000000000000000, -0.0346533300000000 ] - [ 0.0017657600000000, -0.0000549700000000, -0.0050948000000000 ] - [ -0.0011305700000000, 0.0000000000000000, 0.0103929200000000 ] - [ 0.0002856100000000, -0.0001764300000000, 0.0039666100000000 ] - [ -0.0009273300000000, 0.0053286500000000, -0.0338505700000000 ] - [ 0.0034798900000000, 0.0000000000000000, 0.0007458700000000 ] - [ -0.0034681500000000, 0.0000000000000000, -0.0120820400000000 ] - [ -0.0035938700000000, 0.0000000000000000, -0.0826245100000000 ] - [ -0.0059836400000000, 0.0000000000000000, 0.0035288900000000 ] - [ 0.0074367900000000, -0.0005127800000000, 0.0013439700000000 ] - [ 0.0001415400000000, 0.0000000000000000, 0.0034726000000000 ] - [ -0.0040655900000000, 0.0038865500000000, 0.0010625100000000 ] - [ 0.0000169500000000, -0.0000164800000000, 0.0033240700000000 ] - [ -0.0012511500000000, 0.0000000000000000, 0.0031904300000000 ] - [ 0.0000169500000000, 0.0000164800000000, 0.0033240700000000 ] - [ -0.0004917600000000, 0.0000000000000000, 0.0045596000000000 ] - [ 0.0000982000000000, 0.0000000000000000, 0.0031373100000000 ] - [ 0.0001299400000000, 0.0000652600000000, 0.0023377900000000 ] - [ 0.0017216700000000, 0.0000000000000000, 0.0018071300000000 ] - [ 0.0003111300000000, 0.0000000000000000, 0.0028057800000000 ] - [ 0.0002023300000000, 0.0000000000000000, 0.0033998700000000 ] - [ 0.0001299400000000, -0.0000652600000000, 0.0023377900000000 ] - [ 0.0001225600000000, 0.0000000000000000, 0.0026169100000000 ] - [ -0.0002823300000000, -0.0001799900000000, 0.0016939300000000 ] - [ -0.0009796600000000, 0.0000000000000000, -0.0069949700000000 ] - [ -0.0009273300000000, -0.0053286500000000, -0.0338505700000000 ] - [ 0.0007065300000000, 0.0000000000000000, -0.0007829800000000 ] - [ -0.0002823300000000, 0.0001799900000000, 0.0016939300000000 ] - [ 0.0017657600000000, 0.0000549700000000, -0.0050948000000000 ] - [ -0.0030507900000000, 0.0000000000000000, 0.0015036600000000 ] - [ 0.0044232400000000, 0.0000000000000000, -0.0083350900000000 ] - [ -0.0001394800000000, 0.0000000000000000, 0.0018264100000000 ] - [ 0.0003745200000000, 0.0000000000000000, 0.0020444800000000 ] - [ 0.0050327700000000, 0.0000000000000000, -0.0011874100000000 ] - [ -0.0000760700000000, 0.0000000000000000, 0.0021036100000000 ] - [ -0.0001655000000000, 0.0000000000000000, 0.0018272200000000 ] - [ -0.0003118400000000, 0.0000000000000000, 0.0022125300000000 ] - [ -0.0042688700000000, 0.0000000000000000, -0.0016590900000000 ] - [ 0.0000521500000000, 0.0000000000000000, 0.0017202400000000 ] - [ 0.0011278900000000, 0.0009461500000000, 0.0023145500000000 ] - [ 0.0020685800000000, 0.0000000000000000, -0.0022715000000000 ] - [ -0.0048465600000000, 0.0081100200000000, -0.0112958400000000 ] - [ -0.0036336100000000, 0.0000000000000000, 0.0017761100000000 ] - [ -0.0008784900000000, -0.0000931800000000, -0.0022462600000000 ] - [ -0.0019674800000000, 0.0000000000000000, -0.0026532000000000 ] - [ -0.0030064800000000, 0.0000000000000000, 0.0024911400000000 ] - [ -0.0008685600000000, 0.0001338800000000, -0.0005836600000000 ] - [ -0.0003725900000000, 0.0000000000000000, -0.0022946800000000 ] - [ -0.0008784900000000, 0.0000931800000000, -0.0022462600000000 ] - [ 0.0000269500000000, 0.0000000000000000, -0.0018541200000000 ] - [ -0.0008685600000000, -0.0001338800000000, -0.0005836600000000 ] - [ -0.0000031600000000, 0.0000172800000000, -0.0019780500000000 ] - [ 0.0002125400000000, 0.0000000000000000, -0.0020500200000000 ] - [ 0.0003540300000000, 0.0000000000000000, -0.0015913600000000 ] - [ -0.0000031600000000, -0.0000172800000000, -0.0019780500000000 ] - [ -0.0003562800000000, -0.0003161800000000, -0.0018842600000000 ] - [ -0.0001447500000000, 0.0000000000000000, -0.0019052600000000 ] - [ -0.0001836300000000, 0.0000000000000000, -0.0022627500000000 ] - [ -0.0003017800000000, 0.0003225800000000, -0.0017439300000000 ] - [ -0.0005440900000000, -0.0000975900000000, -0.0021171100000000 ] - [ 0.0002379400000000, 0.0000000000000000, -0.0022165400000000 ] - [ 0.0001722100000000, 0.0000000000000000, -0.0024945500000000 ] - [ -0.0001284100000000, -0.0000115200000000, -0.0026086800000000 ] - [ 0.0015731600000000, 0.0000000000000000, -0.0015103700000000 ] - [ 0.0004454000000000, 0.0000913400000000, -0.0017256500000000 ] - [ -0.0001284100000000, 0.0000115200000000, -0.0026086800000000 ] - [ -0.0002388700000000, 0.0000000000000000, -0.0026642200000000 ] - [ -0.0082136800000000, -0.0151457900000000, -0.0212048100000000 ] - [ -0.0011041600000000, 0.0000000000000000, -0.0031123000000000 ] - [ 0.0001451700000000, 0.0000000000000000, -0.0024796000000000 ] - [ 0.0205465700000000, 0.0000000000000000, 0.2472642600000000 ] - [ 0.0010949800000000, -0.0003734000000000, -0.0027021500000000 ] - [ -0.0082136800000000, 0.0151457900000000, -0.0212048100000000 ] - [ 0.0177998700000000, 0.0000000000000000, -0.0170038100000000 ] - [ 0.0010949800000000, 0.0003734000000000, -0.0027021500000000 ] - [ -0.0005881400000000, 0.0000000000000000, 0.0111899100000000 ] - [ -0.0031719400000000, 0.0000000000000000, 0.0028972300000000 ] - [ -0.0015321200000000, -0.0028282100000000, 0.0084125800000000 ] - [ -0.0011885700000000, 0.0021307300000000, 0.0073284600000000 ] - [ -0.0048465600000000, -0.0081100200000000, -0.0112958400000000 ] - [ -0.0025758000000000, 0.0000000000000000, -0.0052489300000000 ] - [ 0.0011278900000000, -0.0009461500000000, 0.0023145500000000 ] - [ 0.0099742100000000, 0.0000000000000000, -0.0100258000000000 ] - [ -0.0000013600000000, 0.0000414800000000, -0.0020003700000000 ] - [ 0.0008856700000000, 0.0000000000000000, -0.0003792700000000 ] - [ 0.0024186100000000, 0.0000000000000000, 0.0032115900000000 ] - [ 0.0012412300000000, -0.0006654700000000, -0.0027496100000000 ] - [ -0.0002232000000000, 0.0000000000000000, -0.0023468700000000 ] - [ -0.0000013600000000, -0.0000414800000000, -0.0020003700000000 ] - [ 0.0001534100000000, 0.0000000000000000, -0.0025260700000000 ] - [ 0.0012412300000000, 0.0006654700000000, -0.0027496100000000 ] - [ -0.0000339300000000, 0.0000162600000000, -0.0019910800000000 ] - [ 0.0003596600000000, 0.0000000000000000, -0.0021026900000000 ] - [ 0.0006480100000000, 0.0000000000000000, -0.0022568500000000 ] - [ -0.0000339300000000, -0.0000162600000000, -0.0019910800000000 ] - [ -0.0003017800000000, -0.0003225800000000, -0.0017439300000000 ] - [ 0.0000123600000000, 0.0000000000000000, -0.0019000000000000 ] - [ -0.0001219300000000, 0.0000000000000000, -0.0021977100000000 ] - [ -0.0003562800000000, 0.0003161800000000, -0.0018842600000000 ] - [ 0.0004454000000000, -0.0000913400000000, -0.0017256500000000 ] - [ 0.0000598500000000, 0.0000000000000000, -0.0022599300000000 ] - [ 0.0001139900000000, 0.0000000000000000, -0.0025883900000000 ] - [ -0.0000567500000000, -0.0000146200000000, -0.0023939200000000 ] - [ -0.0014479000000000, 0.0000000000000000, -0.0033839000000000 ] - [ -0.0005440900000000, 0.0000975900000000, -0.0021171100000000 ] - [ -0.0000567500000000, 0.0000146200000000, -0.0023939200000000 ] - [ -0.0000240500000000, 0.0000000000000000, -0.0018401000000000 ] - [ 0.0001617100000000, 0.0003735800000000, 0.0032003100000000 ] - [ 0.0013779000000000, 0.0000000000000000, -0.0000763500000000 ] - [ -0.0000097800000000, 0.0000000000000000, -0.0014086600000000 ] - [ -0.0012190500000000, 0.0000000000000000, 0.0051269600000000 ] - [ -0.0007350500000000, 0.0003769700000000, 0.0002811900000000 ] - [ 0.0001617100000000, -0.0003735800000000, 0.0032003100000000 ] - [ -0.0018558400000000, 0.0000000000000000, 0.0033459200000000 ] - [ -0.0007350500000000, -0.0003769700000000, 0.0002811900000000 ] - [ -0.0017257500000000, 0.0000000000000000, 0.0040650400000000 ] - [ 0.0035007500000000, 0.0000000000000000, 0.0044387300000000 ] - [ -0.0011885700000000, -0.0021307300000000, 0.0073284600000000 ] - [ -0.0015321200000000, 0.0028282100000000, 0.0084125800000000 ]- atom: 89 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0001962500000000, -0.0000394400000000, -0.0000590300000000 ] - [ -0.0002502000000000, 0.0000162100000000, -0.0005232700000000 ] - [ -0.0000652100000000, 0.0000509500000000, 0.0000911100000000 ] - [ -0.0001462600000000, -0.0000004200000000, -0.0003812800000000 ] - [ 0.0002646500000000, -0.0000227600000000, -0.0002689200000000 ] - [ 0.0000362200000000, 0.0000102500000000, -0.0000488800000000 ] - [ -0.0000675800000000, 0.0000010200000000, -0.0000216100000000 ] - [ 0.0000388000000000, -0.0000102100000000, -0.0000483700000000 ] - [ -0.0001608100000000, -0.0000018800000000, -0.0000206100000000 ] - [ -0.0002191600000000, -0.0000207500000000, -0.0001907800000000 ] - [ -0.0005751500000000, -0.0002638600000000, -0.0011462600000000 ] - [ 0.0233534400000000, -0.0041701900000000, 0.0026413800000000 ] - [ 0.0002594600000000, 0.0000030000000000, 0.0000864400000000 ] - [ -0.0011009900000000, -0.0027505700000000, 0.0038399500000000 ] - [ -0.0004861100000000, 0.0002536600000000, -0.0010864800000000 ] - [ -0.0008246000000000, -0.0002538600000000, 0.0004263800000000 ] - [ 0.0175999600000000, -0.0008453700000000, -0.0022493700000000 ] - [ -0.0017394700000000, 0.0022656800000000, 0.0032732200000000 ] - [ -0.0025865800000000, 0.0004392100000000, 0.0006251200000000 ] - [ 0.0213556100000000, 0.0030665900000000, 0.0041239800000000 ] - [ 0.0053264200000000, 0.0012887400000000, -0.0031389800000000 ] - [ 0.0044308600000000, 0.0001842600000000, -0.0012556300000000 ] - [ -0.0106610000000000, -0.0008166800000000, 0.0030129100000000 ] - [ 0.0001899900000000, -0.0003615200000000, 0.0007697000000000 ] - [ 0.0003961000000000, -0.0000313800000000, 0.0006475900000000 ] - [ 0.0000924800000000, 0.0000077400000000, -0.0003508200000000 ] - [ 0.0002705600000000, 0.0000229500000000, -0.0002778300000000 ] - [ -0.0000797100000000, -0.0000003000000000, -0.0004355200000000 ] - [ -0.0000835700000000, -0.0000505400000000, 0.0000568500000000 ] - [ -0.0000869800000000, -0.0000018200000000, -0.0000663400000000 ] - [ -0.0001320900000000, 0.0000013100000000, 0.0000647800000000 ] - [ -0.0000843200000000, 0.0000018600000000, -0.0000640700000000 ] - [ -0.0000364700000000, -0.0000017100000000, 0.0000290800000000 ] - [ 0.0001874800000000, -0.0000042800000000, 0.0000243200000000 ] - [ 0.0007003300000000, 0.0000987700000000, 0.0004689400000000 ] - [ -0.0091432100000000, 0.0005537700000000, -0.0023965500000000 ] - [ 0.0003500300000000, 0.0000005900000000, -0.0004449400000000 ] - [ -0.0009735500000000, 0.0003003700000000, -0.0034627600000000 ] - [ 0.0004517100000000, -0.0000941000000000, 0.0002054600000000 ] - [ 0.0016869600000000, 0.0000908600000000, -0.0009638000000000 ] - [ -0.0054352800000000, -0.0009074200000000, 0.0057305800000000 ] - [ -0.0012681500000000, -0.0000460600000000, -0.0019186100000000 ] - [ 0.0059871200000000, -0.0003223800000000, -0.0000734300000000 ] - [ -0.0070404800000000, -0.0001532900000000, -0.0021557700000000 ] - [ -0.0096902100000000, 0.0008478300000000, 0.0037585900000000 ] - [ -0.0030304200000000, -0.0004538100000000, 0.0003819700000000 ] - [ 0.0368860600000000, -0.0225597000000000, 0.0100093900000000 ] - [ -0.0004206400000000, 0.0001395300000000, -0.0010303200000000 ] - [ 0.0001514500000000, -0.0000040700000000, -0.0003506900000000 ] - [ -0.0030705600000000, -0.0000085600000000, -0.0009122100000000 ] - [ -0.0018132800000000, -0.0018483700000000, 0.0050307400000000 ] - [ 0.0015099300000000, -0.0004859800000000, -0.0025199900000000 ] - [ -0.0002990500000000, 0.0000162000000000, -0.0001576900000000 ] - [ 0.0044995600000000, 0.0019398200000000, 0.0023573700000000 ] - [ -0.0022902400000000, -0.0015775200000000, -0.0045736600000000 ] - [ -0.0015042400000000, 0.0002645400000000, 0.0005560000000000 ] - [ 0.0002159200000000, 0.0000459800000000, 0.0001462700000000 ] - [ -0.0000391200000000, -0.0000037900000000, -0.0002400100000000 ] - [ -0.0002149800000000, -0.0000232300000000, 0.0000847600000000 ] - [ -0.0003716100000000, 0.0000141100000000, -0.0002603400000000 ] - [ -0.0001447200000000, -0.0001224600000000, -0.0002845400000000 ] - [ -0.0002697100000000, 0.0000017300000000, 0.0000769500000000 ] - [ -0.0001707200000000, -0.0000232700000000, 0.0003395000000000 ] - [ -0.0000424000000000, -0.0000042200000000, -0.0000572400000000 ] - [ -0.0005093600000000, -0.0000005600000000, -0.0003136200000000 ] - [ -0.0001449700000000, 0.0001228000000000, -0.0002832800000000 ] - [ -0.0000838600000000, -0.0000000900000000, -0.0001894000000000 ] - [ -0.0000493700000000, 0.0000027300000000, -0.0000547700000000 ] - [ -0.0004537000000000, 0.0000471000000000, -0.0001049500000000 ] - [ 0.0000952500000000, 0.0000011300000000, -0.0000109500000000 ] - [ 0.0002793000000000, 0.0000003000000000, 0.0001472300000000 ] - [ -0.0004159200000000, -0.0000472200000000, -0.0000859200000000 ] - [ 0.0000266400000000, -0.0001560800000000, 0.0001398400000000 ] - [ 0.0009036800000000, 0.0000503700000000, 0.0004748200000000 ] - [ -0.0000085400000000, 0.0000271100000000, 0.0000268700000000 ] - [ -0.0001076300000000, 0.0001386100000000, -0.0000236900000000 ] - [ 0.0023719500000000, -0.0001437000000000, 0.0031976400000000 ] - [ -0.0009919100000000, 0.0004081200000000, -0.0012163300000000 ] - [ 0.0001309400000000, 0.0000565000000000, -0.0006763700000000 ] - [ -0.0000276700000000, -0.0001248400000000, 0.0011866300000000 ] - [ 0.0150333700000000, 0.0102793400000000, -0.0031921800000000 ] - [ -0.0020382300000000, 0.0008488000000000, -0.0025854600000000 ] - [ -0.0002086000000000, 0.0000586100000000, 0.0007604900000000 ] - [ -0.0021991900000000, 0.0026467800000000, 0.0048688600000000 ] - [ 0.0017335900000000, -0.0020894000000000, -0.0119334200000000 ] - [ 0.0214214700000000, -0.0131631000000000, -0.0004326600000000 ] - [ -0.0033427800000000, -0.0074201000000000, 0.0115421600000000 ] - [ -0.0017771600000000, -0.0006226400000000, -0.0004870500000000 ] - [ -0.1371523400000000, 0.0346422800000000, -0.0186700500000000 ] - [ -0.0025780000000000, -0.0010364500000000, -0.0021827400000000 ] - [ -0.0045835400000000, 0.0033544600000000, 0.0068891100000000 ] - [ -0.0100561600000000, -0.0024862300000000, -0.0002486400000000 ] - [ -0.0016148000000000, 0.0005611700000000, 0.0001286600000000 ] - [ 0.0026897100000000, -0.0001700200000000, -0.0013869700000000 ] - [ 0.0002957900000000, -0.0003027400000000, 0.0019022800000000 ] - [ 0.0003085000000000, -0.0003175700000000, 0.0000160300000000 ] - [ -0.0002375200000000, 0.0000155000000000, 0.0000546200000000 ] - [ -0.0001716900000000, -0.0000029600000000, -0.0001997600000000 ] - [ 0.0001932400000000, -0.0000531600000000, 0.0001920800000000 ] - [ -0.0003204400000000, -0.0000140400000000, -0.0006563700000000 ] - [ -0.0001087400000000, -0.0001103300000000, -0.0003161200000000 ] - [ -0.0001320500000000, 0.0000026800000000, 0.0000189300000000 ] - [ -0.0002543000000000, 0.0000277600000000, -0.0003061600000000 ] - [ -0.0001149900000000, 0.0000128800000000, -0.0001894600000000 ] - [ -0.0004001700000000, -0.0000014200000000, -0.0003560100000000 ] - [ -0.0001090000000000, 0.0001108500000000, -0.0003153600000000 ] - [ -0.0000823600000000, -0.0000002700000000, -0.0001894700000000 ] - [ -0.0001145100000000, -0.0000124200000000, -0.0001848900000000 ] - [ 0.0004145900000000, 0.0000473300000000, -0.0000263200000000 ] - [ 0.0002924100000000, 0.0000023500000000, -0.0000797300000000 ] - [ 0.0002901000000000, 0.0000004200000000, 0.0001551500000000 ] - [ 0.0003450900000000, -0.0000258900000000, 0.0000442000000000 ] - [ -0.0001100500000000, -0.0001382400000000, -0.0000277400000000 ] - [ -0.0011537100000000, -0.0002098200000000, -0.0004387400000000 ] - [ -0.0003276000000000, -0.0000329100000000, -0.0006121100000000 ] - [ 0.0000195600000000, 0.0001534800000000, 0.0001464200000000 ] - [ 0.0051208400000000, 0.0021794900000000, -0.0122671100000000 ] - [ 0.0009701300000000, -0.0000475200000000, 0.0005417100000000 ] - [ 0.0002297700000000, -0.0000382800000000, 0.0003958600000000 ] - [ 0.0006549100000000, 0.0001150800000000, -0.0023026100000000 ] - [ 0.0136086800000000, 0.0084524700000000, 0.0029889000000000 ] - [ 0.0028556700000000, 0.0002245400000000, 0.0029592300000000 ] - [ 0.0002214100000000, 0.0001365200000000, -0.0013739900000000 ] - [ 0.0032818500000000, 0.0005457600000000, -0.0020718400000000 ] - [ 0.0020920100000000, 0.0000956600000000, 0.0020810000000000 ] - [ 0.0134018900000000, -0.0072762200000000, -0.0002837500000000 ] - [ 0.0038394400000000, -0.0002194200000000, -0.0013473700000000 ] - [ 0.0009093600000000, 0.0000335600000000, 0.0009744400000000 ] - [ 0.0085453700000000, -0.0004709600000000, 0.0007428100000000 ] - [ 0.0023450100000000, -0.0001696700000000, 0.0021951800000000 ] - [ 0.0025569000000000, 0.0000682800000000, -0.0001537000000000 ] - [ 0.0059824600000000, 0.0003161300000000, 0.0005981500000000 ] - [ 0.0011115000000000, -0.0000328100000000, 0.0004890700000000 ] - [ -0.0029690900000000, -0.0032161900000000, 0.0057312900000000 ] - [ 0.0010480700000000, 0.0005586300000000, -0.0007086700000000 ] - [ -0.0000965100000000, 0.0001659000000000, 0.0014733200000000 ]- atom: 89 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0004883000000000, 0.0000396800000000, 0.0006481900000000 ] - [ 0.0001279700000000, -0.0000160300000000, -0.0002530400000000 ] - [ 0.0002243000000000, 0.0000279200000000, -0.0001624500000000 ] - [ -0.0000822100000000, 0.0000005200000000, -0.0003291100000000 ] - [ -0.0001043100000000, -0.0000562400000000, 0.0001996600000000 ] - [ -0.0000735400000000, -0.0000014000000000, 0.0000648400000000 ] - [ -0.0001305700000000, -0.0000009100000000, 0.0001890500000000 ] - [ -0.0000761700000000, 0.0000015700000000, 0.0000643300000000 ] - [ -0.0000358400000000, 0.0000019500000000, 0.0001442900000000 ] - [ 0.0002123700000000, 0.0000209100000000, 0.0001460400000000 ] - [ 0.0007643500000000, 0.0001161300000000, 0.0004077600000000 ] - [ -0.0230216200000000, 0.0045739800000000, -0.0034431100000000 ] - [ 0.0003464300000000, -0.0000028900000000, -0.0003091300000000 ] - [ 0.0011659000000000, 0.0027478600000000, -0.0044885000000000 ] - [ 0.0006765900000000, -0.0001057900000000, 0.0003488400000000 ] - [ 0.0015321100000000, 0.0002537800000000, -0.0007508100000000 ] - [ -0.0192426200000000, 0.0008374800000000, 0.0009492400000000 ] - [ 0.0014795000000000, -0.0022615700000000, -0.0026882400000000 ] - [ 0.0023708200000000, -0.0002041600000000, 0.0003085100000000 ] - [ -0.0211709500000000, -0.0027609700000000, -0.0027859000000000 ] - [ -0.0053099800000000, -0.0013724600000000, 0.0031948900000000 ] - [ -0.0046795700000000, -0.0004066100000000, 0.0022282100000000 ] - [ 0.0110694800000000, 0.0008300900000000, -0.0022842100000000 ] - [ -0.0001328200000000, 0.0003610200000000, -0.0010215100000000 ] - [ -0.0001090800000000, 0.0000313200000000, -0.0000512100000000 ] - [ -0.0002181100000000, -0.0000074900000000, -0.0004238500000000 ] - [ -0.0001100400000000, 0.0000562600000000, 0.0002088700000000 ] - [ -0.0001488600000000, 0.0000004400000000, -0.0002743000000000 ] - [ 0.0002426000000000, -0.0000281100000000, -0.0001281800000000 ] - [ 0.0000490900000000, 0.0000106600000000, 0.0000824800000000 ] - [ -0.0000665800000000, -0.0000012000000000, 0.0001023800000000 ] - [ 0.0000464000000000, -0.0000104800000000, 0.0000802200000000 ] - [ -0.0001611500000000, 0.0000017900000000, 0.0000950300000000 ] - [ -0.0001917600000000, 0.0000044300000000, -0.0000696100000000 ] - [ -0.0004996000000000, -0.0002459300000000, -0.0012054400000000 ] - [ 0.0092383500000000, -0.0005607700000000, 0.0020089400000000 ] - [ 0.0002553600000000, -0.0000005300000000, 0.0002203500000000 ] - [ 0.0009957700000000, -0.0002948100000000, 0.0028024900000000 ] - [ -0.0002512900000000, 0.0002414800000000, -0.0009425600000000 ] - [ -0.0009734200000000, -0.0000896900000000, 0.0006307400000000 ] - [ 0.0055572800000000, 0.0010010700000000, -0.0056829900000000 ] - [ 0.0010651300000000, 0.0000530500000000, 0.0024988300000000 ] - [ -0.0062238000000000, 0.0005474200000000, 0.0010519800000000 ] - [ 0.0074426000000000, 0.0001500800000000, 0.0032044200000000 ] - [ 0.0097854200000000, -0.0009395900000000, -0.0037108700000000 ] - [ 0.0028121300000000, 0.0002188100000000, 0.0005501700000000 ] - [ -0.0362495200000000, 0.0215781900000000, -0.0088836700000000 ] - [ 0.0004990900000000, -0.0001430300000000, 0.0007840100000000 ] - [ -0.0003186800000000, -0.0000025100000000, -0.0000736800000000 ] - [ 0.0031204300000000, 0.0000006400000000, 0.0009580000000000 ] - [ 0.0020656200000000, 0.0018440800000000, -0.0040389300000000 ] - [ -0.0015264500000000, 0.0004900200000000, 0.0019765800000000 ] - [ 0.0001309600000000, -0.0000220600000000, -0.0002649600000000 ] - [ -0.0044166000000000, -0.0019440900000000, -0.0023203700000000 ] - [ 0.0025742200000000, 0.0015500000000000, 0.0055541900000000 ] - [ 0.0014823400000000, -0.0002569900000000, -0.0010685900000000 ] - [ -0.0002315800000000, 0.0000282000000000, 0.0000706600000000 ] - [ -0.0001643300000000, 0.0000039200000000, -0.0002823400000000 ] - [ 0.0001998400000000, -0.0000500300000000, 0.0001293900000000 ] - [ -0.0003147700000000, -0.0000143900000000, -0.0007639600000000 ] - [ -0.0001168200000000, -0.0001042600000000, -0.0003863300000000 ] - [ -0.0001197300000000, -0.0000015900000000, -0.0000580000000000 ] - [ -0.0002707400000000, 0.0000238600000000, -0.0004728200000000 ] - [ -0.0001271600000000, 0.0000200100000000, -0.0002734400000000 ] - [ -0.0003932500000000, 0.0000005900000000, -0.0004313900000000 ] - [ -0.0001164500000000, 0.0001041000000000, -0.0003875600000000 ] - [ -0.0000803000000000, 0.0000001300000000, -0.0002695500000000 ] - [ -0.0001201100000000, -0.0000182900000000, -0.0002758400000000 ] - [ 0.0004035200000000, 0.0000372000000000, -0.0000112900000000 ] - [ 0.0002993200000000, -0.0000010900000000, -0.0001554900000000 ] - [ 0.0002984400000000, -0.0000001900000000, 0.0000682500000000 ] - [ 0.0003660200000000, -0.0000370600000000, -0.0000300500000000 ] - [ -0.0001306600000000, -0.0001417400000000, -0.0000970500000000 ] - [ -0.0010035400000000, -0.0000500000000000, -0.0003526000000000 ] - [ -0.0003535800000000, -0.0000268000000000, -0.0007128800000000 ] - [ 0.0000027200000000, 0.0001590500000000, 0.0000660500000000 ] - [ -0.0023897400000000, 0.0000551800000000, -0.0029255800000000 ] - [ 0.0012505000000000, -0.0004068400000000, 0.0007279400000000 ] - [ 0.0002096200000000, -0.0000564500000000, 0.0002335800000000 ] - [ -0.0001440200000000, 0.0000625400000000, -0.0021945000000000 ] - [ -0.0146230600000000, -0.0101239100000000, 0.0034744900000000 ] - [ 0.0019719400000000, -0.0007626600000000, 0.0028780500000000 ] - [ 0.0000360700000000, 0.0000032300000000, -0.0017715500000000 ] - [ 0.0018691900000000, -0.0026321400000000, -0.0052275300000000 ] - [ -0.0016746000000000, 0.0024204300000000, 0.0124261000000000 ] - [ -0.0209410700000000, 0.0134375600000000, 0.0007112600000000 ] - [ 0.0035671200000000, 0.0073898200000000, -0.0117899600000000 ] - [ 0.0016994800000000, 0.0006249900000000, 0.0012268300000000 ] - [ 0.1387859600000000, -0.0339338500000000, 0.0207678300000000 ] - [ 0.0026443900000000, 0.0007096700000000, 0.0025924400000000 ] - [ 0.0046890200000000, -0.0033903300000000, -0.0058487700000000 ] - [ 0.0100497500000000, 0.0020252800000000, 0.0011632900000000 ] - [ 0.0017368700000000, -0.0005620100000000, 0.0005449400000000 ] - [ -0.0022837200000000, 0.0001681100000000, 0.0014888900000000 ] - [ -0.0004509600000000, 0.0005520900000000, -0.0009545200000000 ] - [ -0.0004408500000000, 0.0000702200000000, 0.0009526300000000 ] - [ 0.0002227800000000, 0.0000579100000000, 0.0001593500000000 ] - [ -0.0000321800000000, 0.0000031100000000, -0.0003237000000000 ] - [ -0.0002090300000000, -0.0000209700000000, 0.0000246700000000 ] - [ -0.0003629000000000, 0.0000139800000000, -0.0003675300000000 ] - [ -0.0001522700000000, -0.0001159700000000, -0.0003543800000000 ] - [ -0.0002572100000000, -0.0000025400000000, 0.0000009200000000 ] - [ -0.0001835900000000, -0.0000274600000000, 0.0001759700000000 ] - [ -0.0000534200000000, 0.0000026700000000, -0.0001410400000000 ] - [ -0.0005020800000000, 0.0000015500000000, -0.0003892500000000 ] - [ -0.0001522100000000, 0.0001159500000000, -0.0003553400000000 ] - [ -0.0000809200000000, 0.0000004100000000, -0.0002698300000000 ] - [ -0.0000539200000000, -0.0000029000000000, -0.0001455300000000 ] - [ -0.0004624100000000, 0.0000370900000000, -0.0000918800000000 ] - [ 0.0001025400000000, -0.0000022500000000, -0.0000870500000000 ] - [ 0.0002879000000000, -0.0000003500000000, 0.0000602600000000 ] - [ -0.0003929000000000, -0.0000583400000000, -0.0001621100000000 ] - [ 0.0000051300000000, -0.0001592800000000, 0.0000702400000000 ] - [ 0.0010449100000000, 0.0002094000000000, 0.0005646000000000 ] - [ -0.0000379100000000, 0.0000330200000000, -0.0000756300000000 ] - [ -0.0001237500000000, 0.0001444500000000, -0.0001036800000000 ] - [ -0.0051417400000000, -0.0022523500000000, 0.0124618900000000 ] - [ -0.0006998000000000, 0.0000472100000000, -0.0010332300000000 ] - [ 0.0001136100000000, 0.0000380900000000, -0.0008344600000000 ] - [ -0.0008337300000000, -0.0001772500000000, 0.0012774900000000 ] - [ -0.0135591100000000, -0.0086093600000000, -0.0027081100000000 ] - [ -0.0028865000000000, -0.0001379400000000, -0.0026810700000000 ] - [ -0.0004012400000000, -0.0000743100000000, 0.0003519600000000 ] - [ -0.0036698900000000, -0.0005470900000000, 0.0016569900000000 ] - [ -0.0020625400000000, 0.0002290900000000, -0.0016566700000000 ] - [ -0.0124431700000000, 0.0071610400000000, 0.0005723800000000 ] - [ -0.0037065800000000, 0.0002207800000000, 0.0010594300000000 ] - [ -0.0010019600000000, -0.0000340600000000, -0.0002211500000000 ] - [ -0.0085567900000000, 0.0008468200000000, 0.0001718000000000 ] - [ -0.0023097700000000, -0.0001561200000000, -0.0017709600000000 ] - [ -0.0024230000000000, -0.0000677300000000, 0.0012763600000000 ] - [ -0.0059928300000000, -0.0006891900000000, 0.0003157600000000 ] - [ -0.0010045400000000, 0.0000337900000000, 0.0001953400000000 ] - [ 0.0033224200000000, 0.0032248400000000, -0.0056803700000000 ] - [ -0.0011800900000000, -0.0003110100000000, 0.0016766400000000 ] - [ -0.0000538700000000, -0.0004135900000000, -0.0005169600000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001802600000000, -0.0000013400000000, 0.0004434600000000 ] - [ -0.0000165400000000, 0.0000015400000000, -0.0002738300000000 ] - [ 0.0001052100000000, 0.0000732100000000, 0.0000388600000000 ] - [ -0.0001145000000000, 0.0000005800000000, -0.0002641100000000 ] - [ 0.0000476200000000, -0.0000604500000000, 0.0000918100000000 ] - [ -0.0000100800000000, 0.0000029700000000, 0.0001253900000000 ] - [ -0.0000965800000000, 0.0000008500000000, 0.0002002800000000 ] - [ -0.0000106300000000, -0.0000041600000000, 0.0001250000000000 ] - [ -0.0000940300000000, -0.0000007400000000, 0.0001685700000000 ] - [ -0.0000049900000000, 0.0000032600000000, 0.0000767600000000 ] - [ 0.0001238100000000, -0.0000552300000000, -0.0002757800000000 ] - [ -0.0014452000000000, 0.0146948000000000, -0.0025854400000000 ] - [ 0.0003026300000000, -0.0000001600000000, 0.0000077700000000 ] - [ -0.0001540600000000, 0.0004121500000000, -0.0004477500000000 ] - [ 0.0001430500000000, 0.0000667300000000, -0.0002711700000000 ] - [ 0.0003426500000000, 0.0000270300000000, -0.0000891700000000 ] - [ -0.0020443600000000, 0.0215897800000000, -0.0019638400000000 ] - [ -0.0000483700000000, 0.0002510900000000, 0.0000784200000000 ] - [ 0.0002853500000000, -0.0001518700000000, 0.0005162600000000 ] - [ 0.0005898700000000, 0.0111189700000000, -0.0018075900000000 ] - [ 0.0014883400000000, -0.0110431800000000, -0.0003179700000000 ] - [ -0.0008568700000000, -0.0044852000000000, 0.0005857800000000 ] - [ 0.0035246400000000, 0.0004068300000000, -0.0013120400000000 ] - [ -0.0001810100000000, -0.0000274400000000, -0.0000601600000000 ] - [ 0.0000366300000000, -0.0000095600000000, 0.0001548200000000 ] - [ -0.0000698300000000, 0.0000035900000000, -0.0002781700000000 ] - [ 0.0000510600000000, 0.0000613900000000, 0.0000965600000000 ] - [ -0.0001209700000000, 0.0000004200000000, -0.0002588900000000 ] - [ 0.0001038900000000, -0.0000705600000000, 0.0000369500000000 ] - [ -0.0000107000000000, 0.0000027100000000, 0.0001191300000000 ] - [ -0.0000901100000000, 0.0000007200000000, 0.0001854100000000 ] - [ -0.0000111500000000, -0.0000026800000000, 0.0001187900000000 ] - [ -0.0001157100000000, -0.0000005600000000, 0.0001565700000000 ] - [ -0.0000201100000000, 0.0000030000000000, 0.0000899400000000 ] - [ 0.0000339400000000, 0.0001615000000000, -0.0002547000000000 ] - [ -0.0017850600000000, 0.0003175000000000, -0.0020972800000000 ] - [ 0.0003039000000000, -0.0000007500000000, 0.0000034700000000 ] - [ -0.0022769400000000, 0.0002887800000000, -0.0020474900000000 ] - [ 0.0000633900000000, -0.0001603300000000, -0.0002196100000000 ] - [ 0.0002236900000000, 0.0000079500000000, -0.0001908400000000 ] - [ 0.0000080900000000, -0.0040114500000000, -0.0007131900000000 ] - [ 0.0023658200000000, 0.0001848500000000, 0.0021992500000000 ] - [ -0.0005939800000000, 0.0041736800000000, 0.0011843100000000 ] - [ 0.0024477700000000, 0.0001512700000000, 0.0018632600000000 ] - [ 0.0009495700000000, 0.0038658000000000, -0.0006529800000000 ] - [ 0.0002640600000000, 0.0001606800000000, 0.0005126000000000 ] - [ -0.0249521000000000, 0.0508230700000000, -0.0183014900000000 ] - [ 0.0000162600000000, -0.0000285700000000, -0.0001875900000000 ] - [ -0.0000710000000000, -0.0000048600000000, -0.0001246800000000 ] - [ 0.0006077600000000, -0.0000043100000000, 0.0003020500000000 ] - [ -0.0017018400000000, -0.0006702200000000, 0.0027147600000000 ] - [ -0.0002174200000000, 0.0003138900000000, 0.0024214000000000 ] - [ -0.0000830300000000, -0.0000053500000000, -0.0001487700000000 ] - [ 0.0014358000000000, -0.0008311600000000, -0.0027018000000000 ] - [ -0.0014572200000000, 0.0001503500000000, -0.0007695600000000 ] - [ -0.0000407800000000, -0.0000244300000000, -0.0004194400000000 ] - [ -0.0000435700000000, 0.0000206000000000, 0.0000394900000000 ] - [ -0.0001196900000000, -0.0000001100000000, -0.0003294100000000 ] - [ 0.0000277000000000, -0.0000560700000000, 0.0000651000000000 ] - [ -0.0003227500000000, 0.0000000400000000, -0.0005838300000000 ] - [ -0.0001376200000000, -0.0001070100000000, -0.0004005300000000 ] - [ -0.0001784100000000, 0.0000004200000000, -0.0000682100000000 ] - [ -0.0002539500000000, 0.0000110700000000, -0.0002564600000000 ] - [ -0.0000936300000000, 0.0000187500000000, -0.0002507300000000 ] - [ -0.0004465300000000, 0.0000001900000000, -0.0004411700000000 ] - [ -0.0001375700000000, 0.0001071100000000, -0.0004004100000000 ] - [ -0.0000811000000000, 0.0000000800000000, -0.0003000200000000 ] - [ -0.0000933400000000, -0.0000178700000000, -0.0002493600000000 ] - [ -0.0000188500000000, 0.0000765800000000, -0.0001206200000000 ] - [ 0.0002000400000000, -0.0000003600000000, -0.0001581000000000 ] - [ 0.0002965100000000, 0.0000000800000000, 0.0000288300000000 ] - [ -0.0000189900000000, -0.0000803000000000, -0.0001291000000000 ] - [ -0.0000645200000000, -0.0001497700000000, -0.0000396600000000 ] - [ -0.0000841000000000, 0.0000006700000000, -0.0000123800000000 ] - [ -0.0001685700000000, 0.0000071100000000, -0.0003708000000000 ] - [ -0.0000620300000000, 0.0001515200000000, -0.0000441700000000 ] - [ 0.0000202600000000, 0.0021112600000000, 0.0005411100000000 ] - [ 0.0006072700000000, -0.0000910700000000, -0.0006296100000000 ] - [ 0.0002263700000000, -0.0000046800000000, -0.0003587900000000 ] - [ -0.0000630900000000, 0.0008027800000000, -0.0003667100000000 ] - [ 0.0084076400000000, 0.0026565700000000, -0.0008968700000000 ] - [ 0.0009570300000000, 0.0015539500000000, -0.0002781800000000 ] - [ -0.0000937900000000, -0.0006148800000000, -0.0004577000000000 ] - [ 0.0052501900000000, 0.0047212800000000, 0.0095093500000000 ] - [ 0.0005989800000000, -0.0034188600000000, -0.0001982700000000 ] - [ -0.0152440300000000, 0.0053581100000000, 0.0011378400000000 ] - [ -0.0071004100000000, 0.0091955400000000, -0.0194802000000000 ] - [ -0.0005638700000000, -0.0001188500000000, 0.0010109800000000 ] - [ 0.0331049000000000, -0.1685170900000000, 0.0316999100000000 ] - [ -0.0003272300000000, 0.0012727500000000, 0.0011675500000000 ] - [ 0.0011719300000000, 0.0031318400000000, 0.0095149200000000 ] - [ 0.0022372000000000, 0.0476191000000000, 0.0018355600000000 ] - [ 0.0009450900000000, -0.0000006300000000, -0.0002343200000000 ] - [ -0.0003119500000000, -0.0000668200000000, 0.0008448400000000 ] - [ -0.0000422000000000, 0.0017355800000000, 0.0000091600000000 ] - [ -0.0001503500000000, 0.0000079900000000, 0.0005833800000000 ] - [ 0.0000284700000000, 0.0000521200000000, 0.0000564000000000 ] - [ -0.0000928900000000, -0.0000007900000000, -0.0003392600000000 ] - [ -0.0000452300000000, -0.0000209700000000, 0.0000417000000000 ] - [ -0.0003742500000000, 0.0000002400000000, -0.0004878400000000 ] - [ -0.0001386100000000, -0.0001072400000000, -0.0003957300000000 ] - [ -0.0001954800000000, 0.0000001600000000, -0.0000615600000000 ] - [ -0.0001817100000000, 0.0000018300000000, -0.0001677000000000 ] - [ -0.0000796900000000, 0.0000170500000000, -0.0002275600000000 ] - [ -0.0004464600000000, 0.0000003000000000, -0.0004362800000000 ] - [ -0.0001389000000000, 0.0001076600000000, -0.0003958600000000 ] - [ -0.0000761000000000, 0.0000000900000000, -0.0002952000000000 ] - [ -0.0000804500000000, -0.0000170000000000, -0.0002265400000000 ] - [ -0.0000256200000000, 0.0000332000000000, -0.0001107700000000 ] - [ 0.0002059200000000, -0.0000002100000000, -0.0001532900000000 ] - [ 0.0002985500000000, 0.0000000300000000, 0.0000334400000000 ] - [ -0.0000180800000000, -0.0000351800000000, -0.0001187300000000 ] - [ -0.0000621600000000, -0.0001512500000000, -0.0000429900000000 ] - [ -0.0001821100000000, 0.0000251000000000, 0.0002810000000000 ] - [ -0.0001962300000000, 0.0000031300000000, -0.0003577400000000 ] - [ -0.0000641400000000, 0.0001505300000000, -0.0000411200000000 ] - [ -0.0003168800000000, -0.0037324200000000, 0.0014172000000000 ] - [ 0.0000704300000000, 0.0000008700000000, -0.0002160500000000 ] - [ 0.0001312100000000, 0.0000002800000000, -0.0003615400000000 ] - [ -0.0000537100000000, -0.0001043100000000, -0.0004671200000000 ] - [ 0.0106195000000000, 0.0044449500000000, 0.0021747200000000 ] - [ 0.0000044200000000, -0.0017419900000000, 0.0004507800000000 ] - [ -0.0000001800000000, 0.0000901900000000, -0.0005752800000000 ] - [ -0.0000302000000000, -0.0001959500000000, -0.0009367200000000 ] - [ -0.0005296200000000, 0.0009395600000000, -0.0000327600000000 ] - [ -0.0080481700000000, 0.0033012300000000, 0.0003448800000000 ] - [ -0.0004651100000000, 0.0000097900000000, 0.0007772200000000 ] - [ -0.0001194900000000, 0.0000054500000000, 0.0001913100000000 ] - [ -0.0006604800000000, 0.0025011100000000, 0.0005436500000000 ] - [ -0.0005223700000000, -0.0008879800000000, -0.0000300800000000 ] - [ 0.0000523000000000, 0.0000133600000000, 0.0003307200000000 ] - [ -0.0005041400000000, -0.0018802300000000, 0.0005749300000000 ] - [ -0.0001562900000000, 0.0000050400000000, 0.0003282800000000 ] - [ -0.0026581700000000, 0.0034063000000000, -0.0082658300000000 ] - [ -0.0000951800000000, 0.0000364500000000, 0.0005279200000000 ] - [ -0.0000316100000000, -0.0012534900000000, 0.0001547000000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001073400000000, 0.0000012900000000, 0.0001423900000000 ] - [ -0.0001086400000000, -0.0000010300000000, -0.0005053100000000 ] - [ 0.0000542900000000, 0.0000057800000000, -0.0001118200000000 ] - [ -0.0001153500000000, -0.0000003700000000, -0.0004501600000000 ] - [ 0.0001127200000000, -0.0000179800000000, -0.0001666100000000 ] - [ -0.0000278000000000, 0.0000056100000000, -0.0001139300000000 ] - [ -0.0001017400000000, -0.0000006100000000, -0.0000375300000000 ] - [ -0.0000273400000000, -0.0000039500000000, -0.0001135700000000 ] - [ -0.0001034400000000, 0.0000009000000000, -0.0000497300000000 ] - [ -0.0000007700000000, -0.0000026900000000, -0.0001257800000000 ] - [ 0.0000720600000000, -0.0000922500000000, -0.0004663500000000 ] - [ 0.0022169100000000, -0.0136276400000000, 0.0013280600000000 ] - [ 0.0003039000000000, 0.0000003000000000, -0.0002345200000000 ] - [ 0.0002154600000000, -0.0003777900000000, -0.0002159300000000 ] - [ 0.0000543600000000, 0.0000811500000000, -0.0004701300000000 ] - [ 0.0003675500000000, -0.0000235200000000, -0.0002432300000000 ] - [ 0.0021692600000000, -0.0214941300000000, 0.0019924700000000 ] - [ -0.0002009300000000, -0.0002168100000000, 0.0005168900000000 ] - [ -0.0005088200000000, 0.0003882400000000, 0.0004314300000000 ] - [ -0.0006483400000000, -0.0101640800000000, 0.0037243000000000 ] - [ -0.0012799500000000, 0.0109938800000000, 0.0004050800000000 ] - [ 0.0006407800000000, 0.0042627500000000, 0.0003425300000000 ] - [ -0.0031544400000000, -0.0004105800000000, 0.0020758000000000 ] - [ 0.0002475600000000, 0.0000217900000000, -0.0001884700000000 ] - [ 0.0002536600000000, 0.0000091800000000, 0.0004337300000000 ] - [ -0.0000538500000000, -0.0000031000000000, -0.0005005300000000 ] - [ 0.0001096100000000, 0.0000174900000000, -0.0001710600000000 ] - [ -0.0001086900000000, -0.0000001800000000, -0.0004553800000000 ] - [ 0.0000552800000000, -0.0000079900000000, -0.0001103400000000 ] - [ -0.0000270100000000, 0.0000059200000000, -0.0001074900000000 ] - [ -0.0001082500000000, -0.0000005000000000, -0.0000223900000000 ] - [ -0.0000266400000000, -0.0000054900000000, -0.0001071900000000 ] - [ -0.0000812300000000, 0.0000007200000000, -0.0000375500000000 ] - [ 0.0000140900000000, -0.0000026100000000, -0.0001392200000000 ] - [ 0.0001609200000000, -0.0003096100000000, -0.0004903700000000 ] - [ 0.0018648300000000, -0.0003123100000000, 0.0016877500000000 ] - [ 0.0003025700000000, 0.0000008500000000, -0.0002299400000000 ] - [ 0.0023325900000000, -0.0002849500000000, 0.0013843100000000 ] - [ 0.0001347600000000, 0.0003088400000000, -0.0005221200000000 ] - [ 0.0004843700000000, -0.0000067400000000, -0.0001407400000000 ] - [ 0.0000863300000000, 0.0041122500000000, 0.0007343800000000 ] - [ -0.0026220400000000, -0.0001804500000000, -0.0016261800000000 ] - [ 0.0004147900000000, -0.0039539400000000, -0.0002350500000000 ] - [ -0.0020556100000000, -0.0001475200000000, -0.0007791700000000 ] - [ -0.0008182900000000, -0.0039684600000000, 0.0007018900000000 ] - [ -0.0004936100000000, -0.0003964600000000, 0.0004322600000000 ] - [ 0.0275601900000000, -0.0540986000000000, 0.0206737400000000 ] - [ 0.0000460700000000, 0.0000257500000000, -0.0000672600000000 ] - [ -0.0000971000000000, -0.0000016300000000, -0.0003013500000000 ] - [ -0.0005519100000000, -0.0000026400000000, -0.0002673800000000 ] - [ 0.0019926300000000, 0.0006416300000000, -0.0017042900000000 ] - [ 0.0001931900000000, -0.0003075200000000, -0.0029557500000000 ] - [ -0.0000848600000000, -0.0000006500000000, -0.0002770100000000 ] - [ -0.0013815700000000, 0.0008017600000000, 0.0027686500000000 ] - [ 0.0017116400000000, -0.0001570400000000, 0.0017883300000000 ] - [ 0.0000211400000000, 0.0000282400000000, -0.0001010300000000 ] - [ 0.0000296700000000, 0.0000544100000000, 0.0001751400000000 ] - [ -0.0000837900000000, 0.0000003200000000, -0.0001923700000000 ] - [ -0.0000436200000000, -0.0000185400000000, 0.0001499600000000 ] - [ -0.0003633400000000, -0.0000001400000000, -0.0004394000000000 ] - [ -0.0001221000000000, -0.0001191600000000, -0.0002680100000000 ] - [ -0.0002112700000000, -0.0000001500000000, 0.0000879300000000 ] - [ -0.0001853600000000, -0.0000104600000000, 0.0001275600000000 ] - [ -0.0000752200000000, -0.0000030600000000, -0.0000789200000000 ] - [ -0.0004554400000000, -0.0000000600000000, -0.0002999100000000 ] - [ -0.0001222100000000, 0.0001191200000000, -0.0002678700000000 ] - [ -0.0000829400000000, 0.0000002100000000, -0.0001567800000000 ] - [ -0.0000755000000000, 0.0000026300000000, -0.0000801800000000 ] - [ -0.0000296900000000, 0.0000081400000000, 0.0000090900000000 ] - [ 0.0001941000000000, 0.0000004900000000, -0.0000029700000000 ] - [ 0.0002804100000000, 0.0000001400000000, 0.0001915100000000 ] - [ -0.0000295500000000, -0.0000042000000000, 0.0000172900000000 ] - [ -0.0000403300000000, -0.0001468000000000, 0.0000877200000000 ] - [ -0.0000201800000000, -0.0000007800000000, 0.0001409200000000 ] - [ -0.0001962400000000, -0.0000067800000000, -0.0003111800000000 ] - [ -0.0000427500000000, 0.0001453500000000, 0.0000921800000000 ] - [ -0.0000546200000000, -0.0022017700000000, -0.0002371700000000 ] - [ -0.0003404600000000, 0.0000869300000000, 0.0001472000000000 ] - [ 0.0001148800000000, 0.0000040900000000, -0.0000782300000000 ] - [ -0.0001148000000000, -0.0008643900000000, -0.0006487900000000 ] - [ -0.0081423800000000, -0.0026870900000000, 0.0011913400000000 ] - [ -0.0009871100000000, -0.0014828400000000, 0.0005530600000000 ] - [ -0.0000846300000000, 0.0006767300000000, -0.0005597200000000 ] - [ -0.0056827400000000, -0.0046949600000000, -0.0099797100000000 ] - [ -0.0005114000000000, 0.0037282200000000, 0.0004929400000000 ] - [ 0.0159596800000000, -0.0054066300000000, -0.0008511000000000 ] - [ 0.0071797800000000, -0.0092645900000000, 0.0190327900000000 ] - [ 0.0004680000000000, 0.0001122000000000, -0.0002701400000000 ] - [ -0.0354938500000000, 0.1699406600000000, -0.0323074500000000 ] - [ 0.0003489900000000, -0.0016144400000000, -0.0007425700000000 ] - [ -0.0010354300000000, -0.0031591900000000, -0.0083470700000000 ] - [ -0.0022745100000000, -0.0476952000000000, -0.0009516200000000 ] - [ -0.0008407700000000, 0.0000077000000000, 0.0009124800000000 ] - [ 0.0007218700000000, 0.0000635600000000, -0.0007647700000000 ] - [ -0.0000970300000000, -0.0014904400000000, 0.0009581300000000 ] - [ 0.0000101000000000, -0.0002561900000000, 0.0003816100000000 ] - [ -0.0000442600000000, 0.0000226900000000, 0.0001579700000000 ] - [ -0.0001111800000000, 0.0000010000000000, -0.0001823800000000 ] - [ 0.0000308200000000, -0.0000537900000000, 0.0001734000000000 ] - [ -0.0003117800000000, -0.0000003500000000, -0.0005369500000000 ] - [ -0.0001207200000000, -0.0001185100000000, -0.0002726300000000 ] - [ -0.0001938600000000, 0.0000001400000000, 0.0000810100000000 ] - [ -0.0002582500000000, -0.0000010300000000, 0.0000365300000000 ] - [ -0.0000894900000000, -0.0000013600000000, -0.0001026800000000 ] - [ -0.0004556600000000, 0.0000000000000000, -0.0003047500000000 ] - [ -0.0001206000000000, 0.0001188500000000, -0.0002727200000000 ] - [ -0.0000878700000000, 0.0000001600000000, -0.0001617500000000 ] - [ -0.0000887800000000, 0.0000017800000000, -0.0001035600000000 ] - [ -0.0000242200000000, 0.0000515900000000, -0.0000007700000000 ] - [ 0.0001881000000000, 0.0000004000000000, -0.0000075300000000 ] - [ 0.0002782500000000, 0.0000001600000000, 0.0001868500000000 ] - [ -0.0000308000000000, -0.0000494500000000, 0.0000065000000000 ] - [ -0.0000425900000000, -0.0001452400000000, 0.0000911900000000 ] - [ 0.0000792200000000, -0.0000227100000000, -0.0001516600000000 ] - [ -0.0001683800000000, -0.0000024600000000, -0.0003236100000000 ] - [ -0.0000407800000000, 0.0001464300000000, 0.0000890000000000 ] - [ 0.0001900900000000, 0.0036425900000000, -0.0010338500000000 ] - [ 0.0001960900000000, -0.0000005600000000, -0.0002685600000000 ] - [ 0.0002101500000000, -0.0000002500000000, -0.0000760400000000 ] - [ -0.0001301500000000, 0.0000413700000000, -0.0005399900000000 ] - [ -0.0104792200000000, -0.0044140000000000, -0.0018832400000000 ] - [ -0.0000385200000000, 0.0018326500000000, -0.0001472400000000 ] - [ -0.0001776500000000, -0.0000303400000000, -0.0004432200000000 ] - [ -0.0003617100000000, 0.0001872700000000, 0.0005312000000000 ] - [ 0.0005789300000000, -0.0006171800000000, 0.0004409600000000 ] - [ 0.0089627700000000, -0.0032937300000000, -0.0000527100000000 ] - [ 0.0005965000000000, -0.0000059600000000, -0.0010605800000000 ] - [ 0.0000343100000000, -0.0000049600000000, 0.0005556400000000 ] - [ 0.0006572400000000, -0.0021330400000000, 0.0003639700000000 ] - [ 0.0005721700000000, 0.0005651100000000, 0.0004390100000000 ] - [ 0.0000865000000000, -0.0000114700000000, 0.0007774900000000 ] - [ 0.0005010900000000, 0.0015124000000000, 0.0003329800000000 ] - [ 0.0002735700000000, -0.0000047400000000, 0.0003478400000000 ] - [ 0.0030975000000000, -0.0033954800000000, 0.0084361200000000 ] - [ -0.0000333900000000, 0.0002157700000000, 0.0004257000000000 ] - [ -0.0001042300000000, 0.0010107400000000, 0.0008180100000000 ]- atom: 89 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0002216000000000, 0.0000127800000000, -0.0014433100000000 ] - [ -0.0002926700000000, -0.0000229100000000, -0.0023846500000000 ] - [ 0.0002327200000000, 0.0000768200000000, -0.0021216700000000 ] - [ -0.0000619300000000, -0.0000001800000000, -0.0024840900000000 ] - [ -0.0000738000000000, -0.0000226800000000, -0.0023598800000000 ] - [ -0.0001930000000000, -0.0000057200000000, -0.0025845300000000 ] - [ -0.0002478500000000, -0.0000032700000000, -0.0023690300000000 ] - [ -0.0001965300000000, 0.0000055900000000, -0.0025860200000000 ] - [ -0.0000659200000000, 0.0000059100000000, -0.0022294300000000 ] - [ -0.0002818900000000, 0.0000255000000000, -0.0025289200000000 ] - [ -0.0011702700000000, -0.0002140200000000, -0.0025349900000000 ] - [ 0.0060020900000000, 0.0011222000000000, 0.0242523200000000 ] - [ 0.0004131300000000, -0.0000071200000000, -0.0023389300000000 ] - [ 0.0025915000000000, 0.0026781700000000, -0.0019462900000000 ] - [ -0.0008953900000000, 0.0001961000000000, -0.0023845200000000 ] - [ 0.0004379700000000, 0.0002448800000000, -0.0017469500000000 ] - [ 0.0002038900000000, -0.0009268500000000, 0.0242152600000000 ] - [ 0.0039782300000000, -0.0031957500000000, -0.0013124600000000 ] - [ -0.0005184100000000, -0.0000209000000000, 0.0014680300000000 ] - [ 0.0075021900000000, -0.0057026900000000, 0.0247151200000000 ] - [ -0.0036232700000000, 0.0018152100000000, 0.0127951800000000 ] - [ 0.0044219400000000, -0.0009410300000000, -0.0039373900000000 ] - [ -0.0010245700000000, -0.0004576100000000, 0.0065234100000000 ] - [ 0.0014764400000000, 0.0005522200000000, -0.0024957100000000 ] - [ 0.0004686300000000, 0.0000486800000000, -0.0029161300000000 ] - [ 0.0001843400000000, -0.0000263700000000, -0.0027236400000000 ] - [ -0.0001055500000000, 0.0000233700000000, -0.0024142200000000 ] - [ -0.0000810200000000, -0.0000000400000000, -0.0025879700000000 ] - [ 0.0002585600000000, -0.0000769300000000, -0.0020718300000000 ] - [ -0.0002184800000000, -0.0000119700000000, -0.0025415600000000 ] - [ -0.0001494800000000, -0.0000032800000000, -0.0023297400000000 ] - [ -0.0002224000000000, 0.0000120400000000, -0.0025427700000000 ] - [ 0.0000491400000000, 0.0000050500000000, -0.0023244400000000 ] - [ 0.0000792600000000, 0.0000230500000000, -0.0027030300000000 ] - [ 0.0006283000000000, -0.0001990100000000, -0.0027415600000000 ] - [ -0.0025743400000000, 0.0001666400000000, 0.0048821200000000 ] - [ 0.0003028700000000, -0.0000099300000000, -0.0025472600000000 ] - [ -0.0050819500000000, 0.0008673200000000, -0.0032779700000000 ] - [ 0.0009003900000000, 0.0001928800000000, -0.0024845000000000 ] - [ 0.0008843200000000, 0.0002144200000000, -0.0031155300000000 ] - [ 0.0002820900000000, 0.0005778100000000, 0.0064241000000000 ] - [ -0.0061637200000000, -0.0005715700000000, -0.0009956800000000 ] - [ 0.0004087900000000, 0.0009615100000000, -0.0069013600000000 ] - [ -0.0016873500000000, 0.0001342200000000, 0.0063284400000000 ] - [ 0.0025371500000000, -0.0005887100000000, 0.0082484000000000 ] - [ -0.0000777100000000, -0.0000151400000000, 0.0016294500000000 ] - [ 0.0147511600000000, -0.0197296100000000, 0.0354674000000000 ] - [ -0.0020348500000000, 0.0004401600000000, -0.0028663000000000 ] - [ -0.0000164000000000, -0.0000208500000000, -0.0019974200000000 ] - [ -0.0016642500000000, -0.0000627500000000, 0.0003383000000000 ] - [ 0.0041319100000000, 0.0023000600000000, 0.0048624200000000 ] - [ 0.0002835700000000, -0.0006346000000000, -0.0053891200000000 ] - [ -0.0000163900000000, -0.0000214600000000, -0.0017283700000000 ] - [ 0.0032791200000000, -0.0020376800000000, -0.0024988400000000 ] - [ -0.0054146700000000, -0.0012546100000000, 0.0033440200000000 ] - [ 0.0001979100000000, -0.0002466200000000, -0.0001909100000000 ] - [ 0.0001023000000000, 0.0002501100000000, 0.0012531800000000 ] - [ -0.0001312800000000, 0.0000042000000000, 0.0014333400000000 ] - [ 0.0001353400000000, -0.0003800700000000, 0.0017169600000000 ] - [ -0.0003711600000000, 0.0000370700000000, 0.0008908700000000 ] - [ 0.0000870500000000, -0.0002276500000000, 0.0011111000000000 ] - [ -0.0002387600000000, -0.0000034700000000, 0.0016082400000000 ] - [ 0.0001149000000000, -0.0000647900000000, 0.0020014500000000 ] - [ 0.0000152800000000, -0.0000875100000000, 0.0014138000000000 ] - [ -0.0005832300000000, 0.0000017100000000, 0.0012221800000000 ] - [ 0.0000880800000000, 0.0002270600000000, 0.0011084400000000 ] - [ -0.0001587900000000, 0.0000011200000000, 0.0013345700000000 ] - [ 0.0000185200000000, 0.0000882600000000, 0.0013969000000000 ] - [ -0.0001851300000000, 0.0000456700000000, 0.0017073900000000 ] - [ 0.0001125600000000, -0.0000023500000000, 0.0015915900000000 ] - [ 0.0001012100000000, -0.0000012400000000, 0.0018354100000000 ] - [ -0.0001560000000000, -0.0000640900000000, 0.0016369700000000 ] - [ 0.0002341700000000, -0.0000302400000000, 0.0015356100000000 ] - [ 0.0005469000000000, -0.0000027500000000, 0.0009700800000000 ] - [ 0.0001261900000000, 0.0000367800000000, 0.0012853200000000 ] - [ 0.0001202100000000, 0.0000021900000000, 0.0014997700000000 ] - [ 0.0038722500000000, -0.0003809600000000, -0.0022607200000000 ] - [ -0.0008780500000000, -0.0002753600000000, 0.0016877000000000 ] - [ -0.0000414900000000, -0.0000525000000000, 0.0014877100000000 ] - [ 0.0011301400000000, -0.0002268800000000, 0.0026771800000000 ] - [ 0.0022351700000000, 0.0015590600000000, -0.0074560500000000 ] - [ -0.0028498900000000, -0.0009362800000000, -0.0025351200000000 ] - [ 0.0008050000000000, 0.0001048100000000, 0.0017875200000000 ] - [ 0.0075810200000000, 0.0075841500000000, 0.0082467800000000 ] - [ -0.0108517000000000, 0.0033326000000000, 0.0102995600000000 ] - [ 0.0044765600000000, -0.0016866800000000, -0.0087514300000000 ] - [ 0.0109176300000000, -0.0203816200000000, 0.0189859200000000 ] - [ -0.0011179200000000, 0.0004958100000000, 0.0035332600000000 ] - [ -0.0386264900000000, 0.0364083400000000, -0.1411545700000000 ] - [ -0.0031762400000000, 0.0012573400000000, -0.0022751500000000 ] - [ 0.0014417200000000, 0.0105440600000000, 0.0133679200000000 ] - [ -0.0021396300000000, -0.0019251500000000, -0.0115611600000000 ] - [ -0.0015080600000000, -0.0005369500000000, 0.0025336500000000 ] - [ -0.0006742300000000, 0.0004186400000000, -0.0028785100000000 ] - [ 0.0027173200000000, -0.0004003500000000, 0.0039526800000000 ] - [ -0.0010247000000000, -0.0000923200000000, 0.0005406000000000 ] - [ 0.0001224700000000, 0.0003959900000000, 0.0017917700000000 ] - [ -0.0000300800000000, 0.0000061600000000, 0.0016141100000000 ] - [ 0.0001433300000000, -0.0002407800000000, 0.0011959800000000 ] - [ -0.0009218400000000, 0.0000234900000000, 0.0009438200000000 ] - [ 0.0000437700000000, -0.0002299600000000, 0.0010642800000000 ] - [ -0.0003295600000000, -0.0000026600000000, 0.0014588300000000 ] - [ -0.0004799800000000, -0.0000415400000000, 0.0017147900000000 ] - [ -0.0001455300000000, -0.0000602200000000, 0.0014192900000000 ] - [ -0.0005661900000000, 0.0000019100000000, 0.0011521900000000 ] - [ 0.0000444000000000, 0.0002297400000000, 0.0010617500000000 ] - [ -0.0001681500000000, 0.0000011000000000, 0.0013401900000000 ] - [ -0.0001408400000000, 0.0000612300000000, 0.0014058000000000 ] - [ 0.0000324000000000, 0.0000537700000000, 0.0013020200000000 ] - [ 0.0001175000000000, -0.0000024300000000, 0.0014806500000000 ] - [ 0.0000928000000000, -0.0000012700000000, 0.0018397600000000 ] - [ 0.0000989600000000, -0.0000726500000000, 0.0012359000000000 ] - [ 0.0001187200000000, -0.0000003900000000, 0.0015121100000000 ] - [ -0.0007135700000000, 0.0001161800000000, 0.0019454600000000 ] - [ -0.0004690100000000, 0.0000267200000000, 0.0011051300000000 ] - [ 0.0002349300000000, 0.0000324700000000, 0.0015193900000000 ] - [ -0.0114490500000000, -0.0019258800000000, 0.0064855700000000 ] - [ 0.0009719400000000, -0.0000347500000000, 0.0004765500000000 ] - [ 0.0005009500000000, -0.0000704400000000, 0.0019258100000000 ] - [ -0.0010125700000000, -0.0001611600000000, 0.0008034200000000 ] - [ 0.0019509600000000, 0.0012113300000000, -0.0068833500000000 ] - [ 0.0034355600000000, 0.0003036900000000, -0.0015095600000000 ] - [ -0.0005851400000000, -0.0000817400000000, -0.0000706900000000 ] - [ -0.0013019600000000, -0.0008450000000000, -0.0029318600000000 ] - [ 0.0021159000000000, -0.0000193900000000, -0.0017887000000000 ] - [ 0.0028069100000000, -0.0015636300000000, -0.0067071400000000 ] - [ 0.0001438700000000, 0.0003364900000000, -0.0031703600000000 ] - [ 0.0005985000000000, -0.0000344600000000, 0.0005617900000000 ] - [ 0.0014991700000000, 0.0001800900000000, -0.0030575900000000 ] - [ 0.0022254200000000, -0.0000518000000000, -0.0014611900000000 ] - [ 0.0001428000000000, -0.0002434400000000, -0.0017609900000000 ] - [ 0.0009900500000000, -0.0002334700000000, -0.0030653400000000 ] - [ 0.0008372600000000, 0.0000133600000000, 0.0002566900000000 ] - [ 0.0045839300000000, -0.0072922300000000, 0.0089632400000000 ] - [ -0.0021201100000000, -0.0002577300000000, 0.0016023900000000 ] - [ 0.0018023500000000, 0.0001627800000000, 0.0026321500000000 ]- atom: 89 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0005084700000000, -0.0000128500000000, 0.0020371100000000 ] - [ 0.0001670600000000, 0.0000228800000000, 0.0016067100000000 ] - [ -0.0000722500000000, 0.0000021900000000, 0.0020486200000000 ] - [ -0.0001664900000000, 0.0000001800000000, 0.0017707400000000 ] - [ 0.0002331600000000, -0.0000561200000000, 0.0022853600000000 ] - [ 0.0001546600000000, 0.0000147100000000, 0.0025967100000000 ] - [ 0.0000489900000000, 0.0000032000000000, 0.0025323200000000 ] - [ 0.0001581800000000, -0.0000146300000000, 0.0025982700000000 ] - [ -0.0001316000000000, -0.0000059300000000, 0.0023501300000000 ] - [ 0.0002775300000000, -0.0000255300000000, 0.0024793900000000 ] - [ 0.0013723600000000, 0.0000661400000000, 0.0017942000000000 ] - [ -0.0055594200000000, -0.0005398400000000, -0.0251351000000000 ] - [ 0.0001919300000000, 0.0000071100000000, 0.0021108200000000 ] - [ -0.0025399500000000, -0.0026844000000000, 0.0012745900000000 ] - [ 0.0010961400000000, -0.0000481500000000, 0.0016430400000000 ] - [ 0.0002726000000000, -0.0002453700000000, 0.0014127800000000 ] - [ -0.0013969900000000, 0.0009578500000000, -0.0250937700000000 ] - [ -0.0042096200000000, 0.0031876800000000, 0.0019067600000000 ] - [ 0.0002997000000000, 0.0002547200000000, -0.0005066200000000 ] - [ -0.0074625700000000, 0.0063090700000000, -0.0230689600000000 ] - [ 0.0037515100000000, -0.0019091900000000, -0.0128917400000000 ] - [ -0.0046119100000000, 0.0007131600000000, 0.0048739300000000 ] - [ 0.0013996500000000, 0.0004490600000000, -0.0057290200000000 ] - [ -0.0014048700000000, -0.0005506000000000, 0.0022437600000000 ] - [ -0.0001777300000000, -0.0000488300000000, 0.0035042600000000 ] - [ -0.0003074400000000, 0.0000263500000000, 0.0019442900000000 ] - [ 0.0002649500000000, 0.0000553900000000, 0.0023394300000000 ] - [ -0.0001471800000000, 0.0000000800000000, 0.0018742600000000 ] - [ -0.0000980700000000, -0.0000021200000000, 0.0019990100000000 ] - [ 0.0001805900000000, 0.0000210500000000, 0.0025536700000000 ] - [ -0.0000489100000000, 0.0000032300000000, 0.0024930900000000 ] - [ 0.0001845200000000, -0.0000211500000000, 0.0025548700000000 ] - [ -0.0002459100000000, -0.0000050700000000, 0.0024446900000000 ] - [ -0.0000854700000000, -0.0000231900000000, 0.0026541100000000 ] - [ -0.0004348000000000, 0.0000505700000000, 0.0020002200000000 ] - [ 0.0026560200000000, -0.0001607500000000, -0.0053371800000000 ] - [ 0.0003027000000000, 0.0000099300000000, 0.0023201400000000 ] - [ 0.0051642200000000, -0.0008746000000000, 0.0026179000000000 ] - [ -0.0007077800000000, -0.0000444300000000, 0.0017424300000000 ] - [ -0.0001774900000000, -0.0002157300000000, 0.0027888000000000 ] - [ -0.0001565800000000, -0.0004834800000000, -0.0064614300000000 ] - [ 0.0058862300000000, 0.0005695600000000, 0.0015820600000000 ] - [ -0.0006127100000000, -0.0007315600000000, 0.0078217200000000 ] - [ 0.0021060200000000, -0.0001283100000000, -0.0051929000000000 ] - [ -0.0024066100000000, 0.0004958800000000, -0.0082842500000000 ] - [ -0.0001409700000000, -0.0002189800000000, -0.0006688500000000 ] - [ -0.0140413600000000, 0.0191021600000000, -0.0346966500000000 ] - [ 0.0020893800000000, -0.0004393300000000, 0.0026116600000000 ] - [ -0.0001516600000000, 0.0000143600000000, 0.0015722100000000 ] - [ 0.0017298000000000, 0.0000558400000000, -0.0003145500000000 ] - [ -0.0038497100000000, -0.0022987100000000, -0.0038088000000000 ] - [ -0.0003083900000000, 0.0006464600000000, 0.0048770600000000 ] - [ -0.0001515300000000, 0.0000154600000000, 0.0013021200000000 ] - [ -0.0032427200000000, 0.0020384400000000, 0.0025360600000000 ] - [ 0.0056501300000000, 0.0012341000000000, -0.0022886000000000 ] - [ -0.0002192500000000, 0.0002542500000000, -0.0003388200000000 ] - [ -0.0001175000000000, -0.0001762000000000, -0.0010361300000000 ] - [ -0.0000726200000000, -0.0000041800000000, -0.0019534400000000 ] - [ -0.0001509800000000, 0.0003055800000000, -0.0014977700000000 ] - [ -0.0003131200000000, -0.0000370600000000, -0.0019113900000000 ] - [ -0.0003484500000000, 0.0000007100000000, -0.0017791100000000 ] - [ -0.0001502100000000, 0.0000034500000000, -0.0015853900000000 ] - [ -0.0005527600000000, 0.0000644600000000, -0.0021270900000000 ] - [ -0.0001841600000000, 0.0001032900000000, -0.0017409700000000 ] - [ -0.0003178900000000, -0.0000017900000000, -0.0019662300000000 ] - [ -0.0003493900000000, -0.0000001900000000, -0.0017763700000000 ] - [ -0.0000057200000000, -0.0000010900000000, -0.0017906900000000 ] - [ -0.0001873400000000, -0.0001040700000000, -0.0017241400000000 ] - [ 0.0001375800000000, 0.0000387400000000, -0.0018236800000000 ] - [ 0.0002823900000000, 0.0000022900000000, -0.0017578400000000 ] - [ 0.0004767200000000, 0.0000012100000000, -0.0016178000000000 ] - [ 0.0001081400000000, -0.0000203600000000, -0.0017526100000000 ] - [ -0.0003391100000000, -0.0002679200000000, -0.0014925800000000 ] - [ -0.0006537000000000, 0.0000025900000000, -0.0008397500000000 ] - [ -0.0004922200000000, -0.0000371300000000, -0.0019719000000000 ] - [ -0.0002246300000000, 0.0002959400000000, -0.0014565700000000 ] - [ -0.0039370700000000, 0.0002952900000000, 0.0025902500000000 ] - [ 0.0011484000000000, 0.0002752800000000, -0.0021717100000000 ] - [ 0.0003839600000000, 0.0000524900000000, -0.0019245800000000 ] - [ -0.0013148200000000, 0.0001656800000000, -0.0037048600000000 ] - [ -0.0020989700000000, -0.0016015400000000, 0.0077712100000000 ] - [ 0.0028168300000000, 0.0010250700000000, 0.0028590000000000 ] - [ -0.0009864000000000, -0.0000430800000000, -0.0028060800000000 ] - [ -0.0080696200000000, -0.0077237600000000, -0.0087783700000000 ] - [ 0.0107571000000000, -0.0029821000000000, -0.0097728400000000 ] - [ -0.0035810500000000, 0.0016464900000000, 0.0090626000000000 ] - [ -0.0109864400000000, 0.0207610200000000, -0.0195988700000000 ] - [ 0.0010227100000000, -0.0004954100000000, -0.0027852300000000 ] - [ 0.0398130600000000, -0.0367128800000000, 0.1429917700000000 ] - [ 0.0032013100000000, -0.0015800200000000, 0.0026568900000000 ] - [ -0.0012667600000000, -0.0103822300000000, -0.0120637600000000 ] - [ 0.0021290200000000, 0.0014773800000000, 0.0124698000000000 ] - [ 0.0016127600000000, 0.0005357600000000, -0.0018503000000000 ] - [ 0.0010739500000000, -0.0004162200000000, 0.0029406200000000 ] - [ -0.0028407500000000, 0.0006454700000000, -0.0029694700000000 ] - [ 0.0008816800000000, -0.0001570400000000, 0.0004195300000000 ] - [ -0.0001380200000000, -0.0003215200000000, -0.0015724700000000 ] - [ -0.0001736600000000, -0.0000061100000000, -0.0021335000000000 ] - [ -0.0001584900000000, 0.0001667500000000, -0.0009792700000000 ] - [ 0.0002352200000000, -0.0000235400000000, -0.0019645900000000 ] - [ -0.0003048900000000, 0.0000034300000000, -0.0017320200000000 ] - [ -0.0000596600000000, 0.0000026500000000, -0.0014366800000000 ] - [ 0.0000393400000000, 0.0000415200000000, -0.0018421300000000 ] - [ -0.0000240900000000, 0.0000760800000000, -0.0017465300000000 ] - [ -0.0003351800000000, -0.0000019600000000, -0.0018958200000000 ] - [ -0.0003056800000000, -0.0000029700000000, -0.0017297200000000 ] - [ 0.0000035000000000, -0.0000010800000000, -0.0017963100000000 ] - [ -0.0000287600000000, -0.0000771200000000, -0.0017330500000000 ] - [ -0.0000819200000000, 0.0000306600000000, -0.0014164800000000 ] - [ 0.0002772800000000, 0.0000023700000000, -0.0016461400000000 ] - [ 0.0004849000000000, 0.0000012300000000, -0.0016220300000000 ] - [ -0.0001485000000000, -0.0000118700000000, -0.0013500400000000 ] - [ -0.0002230800000000, -0.0002978400000000, -0.0014689100000000 ] - [ 0.0006139000000000, -0.0001159300000000, -0.0018190600000000 ] - [ 0.0001058000000000, -0.0000267400000000, -0.0017903500000000 ] - [ -0.0003399800000000, 0.0002655300000000, -0.0014763500000000 ] - [ 0.0115356200000000, 0.0018499600000000, -0.0062510200000000 ] - [ -0.0007107500000000, 0.0000349500000000, -0.0009569500000000 ] - [ -0.0001609100000000, 0.0000710000000000, -0.0023649300000000 ] - [ 0.0008372600000000, 0.0000991300000000, -0.0018171400000000 ] - [ -0.0016582000000000, -0.0011775200000000, 0.0072225100000000 ] - [ -0.0034923800000000, -0.0002172800000000, 0.0018280800000000 ] - [ 0.0004087900000000, 0.0001438600000000, -0.0009392700000000 ] - [ 0.0009174000000000, 0.0008502600000000, 0.0025544100000000 ] - [ -0.0020653000000000, 0.0003420100000000, 0.0021738000000000 ] - [ -0.0020358800000000, 0.0015803900000000, 0.0069784200000000 ] - [ -0.0000171800000000, -0.0003387800000000, 0.0029142400000000 ] - [ -0.0006835200000000, 0.0000341500000000, 0.0001762900000000 ] - [ -0.0015128100000000, 0.0001913400000000, 0.0039656600000000 ] - [ -0.0021733100000000, -0.0002725600000000, 0.0018504500000000 ] - [ -0.0000082000000000, 0.0002417700000000, 0.0028540300000000 ] - [ -0.0010028700000000, -0.0001384000000000, 0.0039727000000000 ] - [ -0.0007182900000000, -0.0000130600000000, 0.0004147400000000 ] - [ -0.0041197700000000, 0.0071729800000000, -0.0087440100000000 ] - [ 0.0019723800000000, 0.0005053700000000, -0.0006368000000000 ] - [ -0.0019326500000000, -0.0004092200000000, -0.0016599500000000 ]- atom: 91 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0017637300000000, 0.0000000000000000, -0.0012469600000000 ] - [ -0.0010890500000000, 0.0000000000000000, -0.0009895300000000 ] - [ -0.0009751100000000, -0.0002134900000000, 0.0007257800000000 ] - [ -0.0002648400000000, 0.0000000000000000, -0.0002616300000000 ] - [ 0.0014484500000000, -0.0000440000000000, -0.0011302600000000 ] - [ -0.0000076800000000, -0.0000018000000000, -0.0000438900000000 ] - [ 0.0000805300000000, 0.0000000000000000, -0.0001705400000000 ] - [ -0.0000076800000000, 0.0000018000000000, -0.0000438900000000 ] - [ -0.0004752300000000, 0.0000000000000000, -0.0001941100000000 ] - [ -0.0000283300000000, 0.0000000000000000, -0.0000184600000000 ] - [ 0.0000002400000000, -0.0001204000000000, -0.0004862600000000 ] - [ 0.0046821600000000, 0.0000000000000000, 0.0013747900000000 ] - [ 0.0002619300000000, 0.0000000000000000, -0.0000510400000000 ] - [ 0.0001514000000000, 0.0000000000000000, 0.0004681400000000 ] - [ 0.0000002400000000, 0.0001204000000000, -0.0004862600000000 ] - [ 0.0001383800000000, 0.0000000000000000, -0.0000106300000000 ] - [ 0.0010066000000000, -0.0002172900000000, -0.0023997700000000 ] - [ -0.0098510400000000, 0.0000000000000000, 0.0078347000000000 ] - [ -0.0081016000000000, 0.0004625200000000, -0.0001918400000000 ] - [ 0.0759631900000000, 0.0000000000000000, 0.0328329500000000 ] - [ 0.0010066000000000, 0.0002172900000000, -0.0023997700000000 ] - [ 0.0287665800000000, -0.0025999700000000, -0.0023353900000000 ] - [ -0.0054826000000000, 0.0000000000000000, -0.0012579700000000 ] - [ -0.0012531100000000, 0.0000000000000000, 0.0030905900000000 ] - [ 0.0023457600000000, 0.0000000000000000, 0.0054710900000000 ] - [ 0.0005222200000000, 0.0000000000000000, 0.0002474000000000 ] - [ 0.0014484500000000, 0.0000440000000000, -0.0011302600000000 ] - [ 0.0000387800000000, 0.0000000000000000, -0.0003728000000000 ] - [ -0.0009751100000000, 0.0002134900000000, 0.0007257800000000 ] - [ -0.0000234600000000, 0.0000056200000000, 0.0000776800000000 ] - [ -0.0002516700000000, 0.0000000000000000, 0.0003222300000000 ] - [ -0.0000234600000000, -0.0000056200000000, 0.0000776800000000 ] - [ 0.0002389000000000, 0.0000000000000000, 0.0003455600000000 ] - [ 0.0000253500000000, 0.0000000000000000, -0.0000077800000000 ] - [ 0.0001934300000000, -0.0000455400000000, -0.0002323300000000 ] - [ -0.0025931700000000, 0.0000000000000000, -0.0005621800000000 ] - [ 0.0003419300000000, 0.0000000000000000, -0.0001584300000000 ] - [ -0.0000097500000000, 0.0000000000000000, -0.0010297700000000 ] - [ 0.0001934300000000, 0.0000455400000000, -0.0002323300000000 ] - [ 0.0005834400000000, 0.0000000000000000, -0.0002895700000000 ] - [ -0.0017348100000000, -0.0016223200000000, 0.0022973000000000 ] - [ -0.0014792800000000, 0.0000000000000000, -0.0000994800000000 ] - [ 0.0287665800000000, 0.0025999700000000, -0.0023353900000000 ] - [ -0.0049924000000000, 0.0000000000000000, 0.0041300800000000 ] - [ -0.0017348100000000, 0.0016223200000000, 0.0022973000000000 ] - [ -0.0081016000000000, -0.0004625200000000, -0.0001918400000000 ] - [ 0.0067232800000000, 0.0000000000000000, 0.0039409200000000 ] - [ -0.0029841600000000, 0.0000000000000000, -0.0062639300000000 ] - [ -0.0000398300000000, 0.0000000000000000, -0.0002339500000000 ] - [ -0.0008110100000000, 0.0000000000000000, -0.0001645400000000 ] - [ -0.0037934200000000, 0.0000000000000000, -0.0019593400000000 ] - [ 0.0002536800000000, 0.0000000000000000, -0.0005585500000000 ] - [ -0.0001297000000000, 0.0000000000000000, -0.0001807900000000 ] - [ 0.0008020200000000, 0.0000000000000000, -0.0000092600000000 ] - [ 0.0890243400000000, 0.0000000000000000, -0.0236074800000000 ] - [ -0.0002762800000000, 0.0000000000000000, -0.0000311100000000 ] - [ 0.0010826000000000, 0.0001176200000000, 0.0004074900000000 ] - [ 0.0003858800000000, 0.0000000000000000, -0.0004482500000000 ] - [ -0.0015766900000000, 0.0004148800000000, -0.0006600700000000 ] - [ -0.0004984700000000, 0.0000000000000000, 0.0010934300000000 ] - [ -0.0001984600000000, -0.0001353700000000, -0.0002849500000000 ] - [ -0.0006666900000000, 0.0000000000000000, 0.0000906600000000 ] - [ -0.0001415400000000, 0.0000000000000000, 0.0019266600000000 ] - [ 0.0001083300000000, -0.0000032200000000, 0.0003038000000000 ] - [ -0.0004667500000000, 0.0000000000000000, -0.0003512100000000 ] - [ -0.0001984600000000, 0.0001353700000000, -0.0002849500000000 ] - [ 0.0000080600000000, 0.0000000000000000, -0.0001595900000000 ] - [ 0.0001083300000000, 0.0000032200000000, 0.0003038000000000 ] - [ -0.0000966600000000, 0.0000419600000000, -0.0000699300000000 ] - [ 0.0001722200000000, 0.0000000000000000, -0.0000603000000000 ] - [ 0.0003216100000000, 0.0000000000000000, 0.0001756200000000 ] - [ -0.0000966600000000, -0.0000419600000000, -0.0000699300000000 ] - [ -0.0000611500000000, -0.0001492200000000, 0.0000143900000000 ] - [ 0.0001550000000000, 0.0000000000000000, 0.0001054000000000 ] - [ -0.0001538000000000, 0.0000000000000000, -0.0003002900000000 ] - [ -0.0000451700000000, 0.0001524200000000, 0.0000131700000000 ] - [ 0.0006766200000000, -0.0000242200000000, 0.0010257200000000 ] - [ -0.0000420300000000, 0.0000000000000000, -0.0004053700000000 ] - [ 0.0001688400000000, 0.0000000000000000, -0.0003199600000000 ] - [ -0.0001231600000000, -0.0000274400000000, -0.0002656200000000 ] - [ 0.0023202700000000, 0.0000000000000000, -0.0070711000000000 ] - [ -0.0010027100000000, 0.0004828600000000, -0.0008705800000000 ] - [ -0.0001231600000000, 0.0000274400000000, -0.0002656200000000 ] - [ -0.0005629500000000, 0.0000000000000000, 0.0006106300000000 ] - [ 0.0340590400000000, 0.0228210400000000, 0.0009667100000000 ] - [ 0.0018470600000000, 0.0000000000000000, 0.0038539100000000 ] - [ -0.0006842800000000, 0.0000000000000000, 0.0006123400000000 ] - [ 0.0028383200000000, 0.0000000000000000, -0.0177976000000000 ] - [ -0.0046411200000000, 0.0013035700000000, 0.0025181200000000 ] - [ 0.0340590400000000, -0.0228210400000000, 0.0009667100000000 ] - [ -0.2866632800000000, 0.0000000000000000, -0.0146147900000000 ] - [ -0.0046411200000000, -0.0013035700000000, 0.0025181200000000 ] - [ -0.0035879300000000, 0.0000000000000000, -0.0019618200000000 ] - [ 0.0062053300000000, 0.0000000000000000, -0.0001088400000000 ] - [ 0.0008506500000000, 0.0072032600000000, 0.0117719700000000 ] - [ 0.0035833500000000, -0.0008065900000000, -0.0014594600000000 ] - [ -0.0015766900000000, -0.0004148800000000, -0.0006600700000000 ] - [ -0.0006051400000000, 0.0000000000000000, -0.0002849900000000 ] - [ 0.0010826000000000, -0.0001176200000000, 0.0004074900000000 ] - [ 0.0006658400000000, 0.0000000000000000, -0.0022688200000000 ] - [ -0.0000821300000000, -0.0000989600000000, -0.0004033300000000 ] - [ 0.0002017400000000, 0.0000000000000000, -0.0000843300000000 ] - [ 0.0000169300000000, 0.0000000000000000, -0.0012428500000000 ] - [ -0.0002271200000000, -0.0000241900000000, -0.0005474900000000 ] - [ -0.0004392200000000, 0.0000000000000000, -0.0004103100000000 ] - [ -0.0000821300000000, 0.0000989600000000, -0.0004033300000000 ] - [ -0.0001565800000000, 0.0000000000000000, -0.0003113100000000 ] - [ -0.0002271200000000, 0.0000241900000000, -0.0005474900000000 ] - [ 0.0000451900000000, 0.0000374300000000, -0.0000630500000000 ] - [ 0.0002207600000000, 0.0000000000000000, -0.0001198100000000 ] - [ 0.0002567900000000, 0.0000000000000000, 0.0000371700000000 ] - [ 0.0000451900000000, -0.0000374300000000, -0.0000630500000000 ] - [ -0.0000451700000000, -0.0001524200000000, 0.0000131700000000 ] - [ -0.0002483700000000, 0.0000000000000000, -0.0000244200000000 ] - [ -0.0002058400000000, 0.0000000000000000, -0.0004072200000000 ] - [ -0.0000611500000000, 0.0001492200000000, 0.0000143900000000 ] - [ -0.0010027100000000, -0.0004828600000000, -0.0008705800000000 ] - [ 0.0002961100000000, 0.0000000000000000, -0.0000700000000000 ] - [ 0.0001711700000000, 0.0000000000000000, -0.0001294500000000 ] - [ -0.0000633700000000, -0.0000527900000000, -0.0007613200000000 ] - [ 0.0010375800000000, 0.0000000000000000, 0.0030731900000000 ] - [ 0.0006766200000000, 0.0000242200000000, 0.0010257200000000 ] - [ -0.0000633700000000, 0.0000527900000000, -0.0007613200000000 ] - [ 0.0008362400000000, 0.0000000000000000, -0.0015965400000000 ] - [ 0.0071620500000000, 0.0036319800000000, 0.0007129500000000 ] - [ 0.0001681900000000, 0.0000000000000000, -0.0016177700000000 ] - [ 0.0007981600000000, 0.0000000000000000, -0.0005529800000000 ] - [ 0.0033528300000000, 0.0000000000000000, 0.0018343600000000 ] - [ 0.0024865100000000, 0.0001699800000000, 0.0001678200000000 ] - [ 0.0071620500000000, -0.0036319800000000, 0.0007129500000000 ] - [ 0.0073273200000000, 0.0000000000000000, 0.0003453600000000 ] - [ 0.0024865100000000, -0.0001699800000000, 0.0001678200000000 ] - [ 0.0037149400000000, 0.0000000000000000, 0.0007848700000000 ] - [ -0.0079915100000000, 0.0000000000000000, 0.0002530100000000 ] - [ 0.0035833500000000, 0.0008065900000000, -0.0014594600000000 ] - [ 0.0008506500000000, -0.0072032600000000, 0.0117719700000000 ]- atom: 91 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0020618100000000, 0.0000000000000000, 0.0018338300000000 ] - [ 0.0009699000000000, 0.0000000000000000, 0.0002130200000000 ] - [ 0.0011315500000000, 0.0002903500000000, -0.0007962600000000 ] - [ 0.0000377100000000, 0.0000000000000000, -0.0004470300000000 ] - [ -0.0012860100000000, -0.0000347300000000, 0.0010650800000000 ] - [ -0.0000296300000000, 0.0000110300000000, 0.0000618300000000 ] - [ -0.0002780900000000, 0.0000000000000000, 0.0003404800000000 ] - [ -0.0000296300000000, -0.0000110300000000, 0.0000618300000000 ] - [ 0.0002796300000000, 0.0000000000000000, 0.0003202100000000 ] - [ 0.0000229700000000, 0.0000000000000000, -0.0000250000000000 ] - [ 0.0001953900000000, -0.0000273900000000, -0.0002492500000000 ] - [ -0.0045502200000000, 0.0000000000000000, -0.0017911600000000 ] - [ 0.0003432700000000, 0.0000000000000000, -0.0001714800000000 ] - [ -0.0000916600000000, 0.0000000000000000, -0.0011189700000000 ] - [ 0.0001953900000000, 0.0000273900000000, -0.0002492500000000 ] - [ 0.0005706700000000, 0.0000000000000000, -0.0003141000000000 ] - [ -0.0009128900000000, 0.0003024600000000, 0.0024053100000000 ] - [ 0.0095614600000000, 0.0000000000000000, -0.0072916900000000 ] - [ 0.0078723300000000, -0.0002264700000000, 0.0011044100000000 ] - [ -0.0787095400000000, 0.0000000000000000, -0.0348838300000000 ] - [ -0.0009128900000000, -0.0003024600000000, 0.0024053100000000 ] - [ -0.0289860100000000, 0.0026383500000000, 0.0034548400000000 ] - [ 0.0058685700000000, 0.0000000000000000, 0.0020257600000000 ] - [ 0.0012992400000000, 0.0000000000000000, -0.0033552600000000 ] - [ -0.0020583800000000, 0.0000000000000000, -0.0048411300000000 ] - [ -0.0006507500000000, 0.0000000000000000, -0.0010187200000000 ] - [ -0.0012860100000000, 0.0000347300000000, 0.0010650800000000 ] - [ -0.0002659600000000, 0.0000000000000000, -0.0003341700000000 ] - [ 0.0011315500000000, -0.0002903500000000, -0.0007962600000000 ] - [ -0.0000143600000000, 0.0000036400000000, -0.0000596800000000 ] - [ 0.0000520000000000, 0.0000000000000000, -0.0001525400000000 ] - [ -0.0000143600000000, -0.0000036400000000, -0.0000596800000000 ] - [ -0.0004368000000000, 0.0000000000000000, -0.0002175900000000 ] - [ -0.0000301800000000, 0.0000000000000000, -0.0000358200000000 ] - [ 0.0000043200000000, -0.0001020000000000, -0.0005028400000000 ] - [ 0.0026790600000000, 0.0000000000000000, 0.0001541300000000 ] - [ 0.0002631900000000, 0.0000000000000000, -0.0000645900000000 ] - [ 0.0000612500000000, 0.0000000000000000, 0.0003738400000000 ] - [ 0.0000043200000000, 0.0001020000000000, -0.0005028400000000 ] - [ 0.0001269000000000, 0.0000000000000000, -0.0000369300000000 ] - [ 0.0018502900000000, 0.0016986200000000, -0.0022730500000000 ] - [ 0.0013035400000000, 0.0000000000000000, 0.0006238100000000 ] - [ -0.0289860100000000, -0.0026383500000000, 0.0034548400000000 ] - [ 0.0053973900000000, 0.0000000000000000, -0.0030168100000000 ] - [ 0.0018502900000000, -0.0016986200000000, -0.0022730500000000 ] - [ 0.0078723300000000, 0.0002264700000000, 0.0011044100000000 ] - [ -0.0062765100000000, 0.0000000000000000, -0.0031908700000000 ] - [ 0.0030849600000000, 0.0000000000000000, 0.0059837000000000 ] - [ -0.0001275000000000, 0.0000000000000000, -0.0001898400000000 ] - [ 0.0008658900000000, 0.0000000000000000, 0.0002030500000000 ] - [ 0.0040306900000000, 0.0000000000000000, 0.0029760100000000 ] - [ -0.0002743600000000, 0.0000000000000000, 0.0000377600000000 ] - [ -0.0000377700000000, 0.0000000000000000, -0.0002431900000000 ] - [ -0.0007387700000000, 0.0000000000000000, 0.0000424900000000 ] - [ -0.0837996400000000, 0.0000000000000000, 0.0229973000000000 ] - [ 0.0002546300000000, 0.0000000000000000, -0.0004848100000000 ] - [ -0.0010986100000000, -0.0000437000000000, -0.0001865300000000 ] - [ -0.0005882000000000, 0.0000000000000000, -0.0000720100000000 ] - [ 0.0015610200000000, -0.0004853500000000, 0.0008717700000000 ] - [ -0.0001892900000000, 0.0000000000000000, -0.0021181800000000 ] - [ -0.0000652100000000, -0.0000925000000000, -0.0003869800000000 ] - [ 0.0002762600000000, 0.0000000000000000, -0.0000717500000000 ] - [ -0.0003030200000000, 0.0000000000000000, -0.0020619400000000 ] - [ -0.0002784100000000, 0.0000183200000000, -0.0006338700000000 ] - [ -0.0004364800000000, 0.0000000000000000, -0.0003963200000000 ] - [ -0.0000652100000000, 0.0000925000000000, -0.0003869800000000 ] - [ -0.0001707700000000, 0.0000000000000000, -0.0003001200000000 ] - [ -0.0002784100000000, -0.0000183200000000, -0.0006338700000000 ] - [ 0.0000478500000000, 0.0000418100000000, -0.0000500700000000 ] - [ 0.0002218800000000, 0.0000000000000000, -0.0001099700000000 ] - [ 0.0002570100000000, 0.0000000000000000, 0.0000361600000000 ] - [ 0.0000478500000000, -0.0000418100000000, -0.0000500700000000 ] - [ -0.0000433400000000, -0.0001499600000000, 0.0000236000000000 ] - [ -0.0002574200000000, 0.0000000000000000, 0.0000172800000000 ] - [ -0.0002089100000000, 0.0000000000000000, -0.0003903200000000 ] - [ -0.0000595500000000, 0.0001466400000000, 0.0000247900000000 ] - [ -0.0007143300000000, -0.0000642900000000, -0.0007301700000000 ] - [ 0.0003052900000000, 0.0000000000000000, -0.0000829400000000 ] - [ 0.0001728700000000, 0.0000000000000000, -0.0001238300000000 ] - [ -0.0000527700000000, -0.0000353600000000, -0.0007522100000000 ] - [ -0.0020889100000000, 0.0000000000000000, 0.0073274300000000 ] - [ 0.0009513400000000, -0.0003908000000000, 0.0011641900000000 ] - [ -0.0000527700000000, 0.0000353600000000, -0.0007522100000000 ] - [ 0.0001848000000000, 0.0000000000000000, -0.0010033900000000 ] - [ -0.0345754900000000, -0.0229482400000000, -0.0005811800000000 ] - [ -0.0010214100000000, 0.0000000000000000, -0.0035679400000000 ] - [ 0.0008168700000000, 0.0000000000000000, -0.0008769100000000 ] - [ -0.0028630600000000, 0.0000000000000000, 0.0186077500000000 ] - [ 0.0046316200000000, -0.0009071900000000, -0.0015618700000000 ] - [ -0.0345754900000000, 0.0229482400000000, -0.0005811800000000 ] - [ 0.2860841700000000, 0.0000000000000000, 0.0200236500000000 ] - [ 0.0046316200000000, 0.0009071900000000, -0.0015618700000000 ] - [ 0.0037247700000000, 0.0000000000000000, 0.0026440500000000 ] - [ -0.0057919200000000, 0.0000000000000000, 0.0002018300000000 ] - [ -0.0010855900000000, -0.0069286900000000, -0.0107668800000000 ] - [ -0.0037087000000000, 0.0005553200000000, 0.0024434800000000 ] - [ 0.0015610200000000, 0.0004853500000000, 0.0008717700000000 ] - [ 0.0004007800000000, 0.0000000000000000, -0.0002383500000000 ] - [ -0.0010986100000000, 0.0000437000000000, -0.0001865300000000 ] - [ -0.0013433800000000, 0.0000000000000000, 0.0012414200000000 ] - [ -0.0001808800000000, -0.0001288200000000, -0.0002680800000000 ] - [ -0.0005909400000000, 0.0000000000000000, 0.0001061000000000 ] - [ -0.0004520200000000, 0.0000000000000000, 0.0011146400000000 ] - [ 0.0000600700000000, 0.0000385300000000, 0.0002173500000000 ] - [ -0.0004638300000000, 0.0000000000000000, -0.0003372000000000 ] - [ -0.0001808800000000, 0.0001288200000000, -0.0002680800000000 ] - [ -0.0000055300000000, 0.0000000000000000, -0.0001487500000000 ] - [ 0.0000600700000000, -0.0000385300000000, 0.0002173500000000 ] - [ -0.0000936000000000, 0.0000462900000000, -0.0000573200000000 ] - [ 0.0001744000000000, 0.0000000000000000, -0.0000498600000000 ] - [ 0.0003222500000000, 0.0000000000000000, 0.0001742400000000 ] - [ -0.0000936000000000, -0.0000462900000000, -0.0000573200000000 ] - [ -0.0000595500000000, -0.0001466400000000, 0.0000247900000000 ] - [ 0.0001438300000000, 0.0000000000000000, 0.0001478700000000 ] - [ -0.0001574900000000, 0.0000000000000000, -0.0002836800000000 ] - [ -0.0000433400000000, 0.0001499600000000, 0.0000236000000000 ] - [ 0.0009513400000000, 0.0003908000000000, 0.0011641900000000 ] - [ -0.0000305900000000, 0.0000000000000000, -0.0004184900000000 ] - [ 0.0001710100000000, 0.0000000000000000, -0.0003129400000000 ] - [ -0.0001143900000000, -0.0000103300000000, -0.0002592200000000 ] - [ -0.0008075800000000, 0.0000000000000000, -0.0027728600000000 ] - [ -0.0007143300000000, 0.0000642900000000, -0.0007301700000000 ] - [ -0.0001143900000000, 0.0000103300000000, -0.0002592200000000 ] - [ -0.0012189700000000, 0.0000000000000000, 0.0011862700000000 ] - [ -0.0070782200000000, -0.0032675700000000, -0.0002893500000000 ] - [ 0.0006342300000000, 0.0000000000000000, 0.0019022400000000 ] - [ -0.0006694400000000, 0.0000000000000000, 0.0002763700000000 ] - [ -0.0034535800000000, 0.0000000000000000, -0.0010633300000000 ] - [ -0.0024917900000000, 0.0002040500000000, 0.0007360800000000 ] - [ -0.0070782200000000, 0.0032675700000000, -0.0002893500000000 ] - [ -0.0071891400000000, 0.0000000000000000, 0.0007730500000000 ] - [ -0.0024917900000000, -0.0002040500000000, 0.0007360800000000 ] - [ -0.0036106600000000, 0.0000000000000000, -0.0000848500000000 ] - [ 0.0083415300000000, 0.0000000000000000, -0.0001300800000000 ] - [ -0.0037087000000000, -0.0005553200000000, 0.0024434800000000 ] - [ -0.0010855900000000, 0.0069286900000000, -0.0107668800000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001430400000000, -0.0004959800000000, 0.0002926900000000 ] - [ -0.0000636100000000, 0.0000354700000000, -0.0003902700000000 ] - [ 0.0000998900000000, 0.0000385900000000, 0.0000143500000000 ] - [ -0.0001145200000000, 0.0000011800000000, -0.0003560200000000 ] - [ 0.0002017200000000, -0.0000361000000000, 0.0003388500000000 ] - [ -0.0000201100000000, 0.0000048100000000, 0.0000053400000000 ] - [ -0.0000989800000000, -0.0000174700000000, 0.0000819700000000 ] - [ -0.0000178200000000, -0.0000037700000000, 0.0000080600000000 ] - [ -0.0000989300000000, 0.0000211700000000, 0.0000605000000000 ] - [ -0.0000027500000000, 0.0000025500000000, -0.0000237000000000 ] - [ 0.0000857000000000, -0.0000743100000000, -0.0003782400000000 ] - [ 0.0000423100000000, 0.0039337100000000, -0.0002225500000000 ] - [ 0.0003026000000000, -0.0000000900000000, -0.0001128700000000 ] - [ 0.0000278000000000, 0.0002601700000000, -0.0003305100000000 ] - [ 0.0001106000000000, 0.0000734400000000, -0.0003621000000000 ] - [ 0.0003546500000000, 0.0000258100000000, -0.0001653400000000 ] - [ -0.0023012300000000, 0.0001243500000000, -0.0016176700000000 ] - [ -0.0001421600000000, 0.0080205600000000, 0.0002864100000000 ] - [ -0.0005704500000000, 0.0002927400000000, -0.0000546000000000 ] - [ 0.0003798800000000, 0.0212739500000000, 0.0006868400000000 ] - [ 0.0024166900000000, 0.0000370100000000, 0.0016191800000000 ] - [ -0.0032405100000000, 0.0162670600000000, 0.0035006200000000 ] - [ 0.0001954300000000, 0.0009558700000000, 0.0003847100000000 ] - [ 0.0000355300000000, -0.0010660600000000, -0.0001277300000000 ] - [ 0.0001502000000000, 0.0001091100000000, 0.0003122800000000 ] - [ -0.0000626100000000, -0.0001976000000000, -0.0003887200000000 ] - [ -0.0000373600000000, 0.0000412100000000, -0.0004141600000000 ] - [ -0.0001141200000000, 0.0000028900000000, -0.0003560100000000 ] - [ 0.0000560700000000, -0.0000365500000000, -0.0000858200000000 ] - [ -0.0000201300000000, 0.0000046800000000, 0.0000064800000000 ] - [ -0.0000997600000000, -0.0000158100000000, 0.0000827300000000 ] - [ -0.0000177100000000, -0.0000038300000000, 0.0000074500000000 ] - [ -0.0000981500000000, 0.0000321800000000, 0.0000614900000000 ] - [ -0.0000028000000000, 0.0000017600000000, -0.0000237500000000 ] - [ 0.0000843500000000, -0.0000736900000000, -0.0003829600000000 ] - [ 0.0000444600000000, -0.0000538300000000, -0.0002084100000000 ] - [ 0.0003026900000000, -0.0000015100000000, -0.0001129700000000 ] - [ 0.0000277600000000, 0.0000944300000000, -0.0003301200000000 ] - [ 0.0001119000000000, 0.0000741600000000, -0.0003575900000000 ] - [ 0.0003545900000000, 0.0000204300000000, -0.0001652200000000 ] - [ -0.0001363900000000, 0.0000770600000000, 0.0000973200000000 ] - [ -0.0001507700000000, -0.0085158800000000, 0.0002617300000000 ] - [ 0.0023920600000000, 0.0150770500000000, -0.0012916800000000 ] - [ 0.0001983900000000, -0.0019293600000000, 0.0005524100000000 ] - [ 0.0002556600000000, -0.0000260000000000, -0.0000880400000000 ] - [ 0.0003413700000000, 0.0000595400000000, 0.0009956300000000 ] - [ 0.0002098500000000, -0.0113354500000000, 0.0004561900000000 ] - [ 0.0000333400000000, 0.0078093500000000, -0.0001279400000000 ] - [ -0.0000840500000000, -0.0000048200000000, -0.0002123900000000 ] - [ 0.0000291900000000, -0.0000122800000000, 0.0000165200000000 ] - [ 0.0001334700000000, -0.0061329700000000, 0.0005116400000000 ] - [ -0.0000109500000000, -0.0000327400000000, -0.0002608800000000 ] - [ -0.0000839900000000, -0.0000049900000000, -0.0002125500000000 ] - [ 0.0000290300000000, -0.0003178800000000, 0.0000165700000000 ] - [ -0.0001168100000000, 0.0050456800000000, 0.0005959600000000 ] - [ -0.0000107100000000, -0.0000211600000000, -0.0002607000000000 ] - [ 0.0000082900000000, 0.0000312200000000, 0.0000272300000000 ] - [ -0.0001008400000000, -0.0000175400000000, -0.0002612400000000 ] - [ 0.0002451100000000, -0.0000204400000000, -0.0001076300000000 ] - [ -0.0003437200000000, 0.0007100000000000, -0.0005095400000000 ] - [ -0.0001318000000000, -0.0001140000000000, -0.0003315400000000 ] - [ -0.0001953900000000, -0.0000216000000000, 0.0000104700000000 ] - [ -0.0002198700000000, -0.0008996100000000, -0.0000600300000000 ] - [ -0.0000459600000000, 0.0000073400000000, -0.0001077400000000 ] - [ -0.0004507200000000, 0.0000005200000000, -0.0003720100000000 ] - [ -0.0001292000000000, 0.0001125900000000, -0.0003384000000000 ] - [ -0.0000821600000000, 0.0000052500000000, -0.0002291300000000 ] - [ -0.0001232000000000, -0.0000083300000000, -0.0002200400000000 ] - [ -0.0000257800000000, 0.0000415100000000, -0.0000541200000000 ] - [ 0.0001971400000000, -0.0000003100000000, -0.0000829600000000 ] - [ 0.0002886500000000, -0.0000048400000000, 0.0001086600000000 ] - [ -0.0000231400000000, -0.0000431500000000, -0.0000608700000000 ] - [ -0.0000525300000000, -0.0001486000000000, 0.0000229700000000 ] - [ -0.0000519800000000, 0.0000013300000000, 0.0000637200000000 ] - [ -0.0001823800000000, 0.0000036500000000, -0.0003428700000000 ] - [ -0.0000523300000000, 0.0001489700000000, 0.0000208900000000 ] - [ 0.0000314900000000, -0.0000407500000000, 0.0001853400000000 ] - [ 0.0001326900000000, -0.0000303800000000, -0.0002424300000000 ] - [ 0.0001707300000000, -0.0000053700000000, -0.0002194600000000 ] - [ -0.0000755200000000, -0.0000325100000000, -0.0004651700000000 ] - [ 0.0000953300000000, -0.0021347000000000, 0.0001705500000000 ] - [ 0.0004160600000000, -0.0001244400000000, -0.0002010400000000 ] - [ -0.0001026600000000, 0.0000289100000000, -0.0005504900000000 ] - [ -0.0001928500000000, 0.0009204700000000, -0.0001976800000000 ] - [ 0.0283432200000000, 0.0067921400000000, -0.0004175300000000 ] - [ 0.0004109200000000, -0.0017832800000000, 0.0001469300000000 ] - [ 0.0000631000000000, -0.0013977600000000, -0.0001375500000000 ] - [ -0.0000088000000000, -0.0051768800000000, 0.0003082300000000 ] - [ 0.0033511700000000, 0.0033518200000000, 0.0105055900000000 ] - [ -0.0285129400000000, 0.0063875500000000, 0.0008331400000000 ] - [ 0.0009245200000000, -0.1158755400000000, -0.0009851700000000 ] - [ -0.0033905700000000, 0.0029390400000000, -0.0096623400000000 ] - [ 0.0000400700000000, 0.0034089600000000, 0.0003500500000000 ] - [ 0.0002005500000000, -0.0019527900000000, 0.0000395300000000 ] - [ 0.0075685400000000, 0.0051028400000000, 0.0124017800000000 ] - [ -0.0009757300000000, 0.0001442600000000, 0.0018408300000000 ] - [ -0.0002651000000000, 0.0000501100000000, 0.0003209200000000 ] - [ -0.0001027800000000, 0.0000277100000000, -0.0002612300000000 ] - [ -0.0000210400000000, -0.0000437100000000, 0.0001913800000000 ] - [ -0.0003390500000000, -0.0000366700000000, -0.0005160700000000 ] - [ -0.0001332100000000, -0.0001142400000000, -0.0003313800000000 ] - [ -0.0001941700000000, 0.0000150500000000, 0.0000105800000000 ] - [ -0.0002198400000000, 0.0001104200000000, -0.0000630200000000 ] - [ -0.0001217300000000, 0.0000177000000000, -0.0001325100000000 ] - [ -0.0004507200000000, 0.0000006300000000, -0.0003720700000000 ] - [ -0.0001272100000000, 0.0001121500000000, -0.0003387800000000 ] - [ -0.0000822900000000, 0.0000025000000000, -0.0002294200000000 ] - [ -0.0000476900000000, 0.0000025300000000, -0.0001977100000000 ] - [ -0.0000278200000000, 0.0000414500000000, -0.0000539400000000 ] - [ 0.0001972100000000, -0.0000003600000000, -0.0000828700000000 ] - [ 0.0002885900000000, -0.0000022100000000, 0.0001084100000000 ] - [ -0.0000212600000000, -0.0000432600000000, -0.0000610500000000 ] - [ -0.0000524400000000, -0.0001485900000000, 0.0000230200000000 ] - [ -0.0000518500000000, 0.0000126600000000, 0.0000637100000000 ] - [ -0.0001823100000000, 0.0000029700000000, -0.0003428000000000 ] - [ -0.0000523400000000, 0.0001490400000000, 0.0000208600000000 ] - [ -0.0004578300000000, -0.0002089600000000, 0.0005042800000000 ] - [ 0.0001327500000000, -0.0000068900000000, -0.0002424700000000 ] - [ 0.0001707100000000, -0.0000059900000000, -0.0002192500000000 ] - [ -0.0001096200000000, -0.0000421700000000, -0.0004629300000000 ] - [ 0.0001109100000000, 0.0012634700000000, 0.0001563000000000 ] - [ -0.0000729100000000, 0.0000470900000000, 0.0001163800000000 ] - [ -0.0000685900000000, 0.0000193400000000, -0.0005526900000000 ] - [ -0.0001955200000000, -0.0000571300000000, -0.0001958300000000 ] - [ 0.0034406600000000, 0.0016573400000000, 0.0002716800000000 ] - [ 0.0004125300000000, 0.0009787300000000, 0.0001348000000000 ] - [ 0.0000650800000000, 0.0000507800000000, -0.0001374700000000 ] - [ -0.0000421400000000, 0.0013506400000000, 0.0003745200000000 ] - [ 0.0000630400000000, 0.0001975100000000, 0.0001980000000000 ] - [ -0.0033584100000000, 0.0013386700000000, 0.0001353500000000 ] - [ 0.0000721100000000, 0.0018213900000000, 0.0005532800000000 ] - [ -0.0000731400000000, -0.0001722600000000, 0.0007079500000000 ] - [ 0.0000594900000000, -0.0013690000000000, 0.0003395400000000 ] - [ 0.0002237400000000, 0.0379930700000000, 0.0000475500000000 ] - [ 0.0008436300000000, 0.0003957700000000, -0.0008728800000000 ] - [ -0.0076598100000000, 0.0048793500000000, -0.0113234800000000 ]- atom: 91 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0022041500000000, 0.0000000000000000, -0.0002343300000000 ] - [ -0.0011428800000000, 0.0000000000000000, -0.0020086700000000 ] - [ 0.0004568400000000, 0.0006104300000000, -0.0014609900000000 ] - [ -0.0001294400000000, 0.0000000000000000, -0.0023710600000000 ] - [ -0.0000579100000000, -0.0001673600000000, -0.0031027200000000 ] - [ -0.0002494900000000, -0.0000046900000000, -0.0025790100000000 ] - [ -0.0003045000000000, 0.0000000000000000, -0.0024485400000000 ] - [ -0.0002494900000000, 0.0000046900000000, -0.0025790100000000 ] - [ -0.0003858300000000, 0.0000000000000000, -0.0021745600000000 ] - [ -0.0001072300000000, 0.0000000000000000, -0.0025809900000000 ] - [ -0.0001819200000000, -0.0001677900000000, -0.0024984500000000 ] - [ 0.0028433100000000, 0.0000000000000000, -0.0079517900000000 ] - [ 0.0003609000000000, 0.0000000000000000, -0.0024055800000000 ] - [ 0.0006819800000000, 0.0000000000000000, -0.0033143600000000 ] - [ -0.0001819200000000, 0.0001677900000000, -0.0024984500000000 ] - [ 0.0005616300000000, 0.0000000000000000, -0.0022657100000000 ] - [ -0.0057366700000000, 0.0003100300000000, -0.0020393600000000 ] - [ 0.0040638300000000, 0.0000000000000000, 0.0109936100000000 ] - [ -0.0016670100000000, -0.0000520400000000, 0.0060207500000000 ] - [ 0.0415464000000000, 0.0000000000000000, 0.0546798600000000 ] - [ -0.0057366700000000, -0.0003100300000000, -0.0020393600000000 ] - [ 0.0028264500000000, 0.0006820200000000, 0.0301993900000000 ] - [ -0.0011387200000000, 0.0000000000000000, 0.0050985800000000 ] - [ 0.0021886200000000, 0.0000000000000000, 0.0014703400000000 ] - [ 0.0005558600000000, 0.0000000000000000, -0.0062152000000000 ] - [ 0.0011885800000000, 0.0000000000000000, -0.0025375400000000 ] - [ -0.0000579100000000, 0.0001673600000000, -0.0031027200000000 ] - [ -0.0000324700000000, 0.0000000000000000, -0.0027254700000000 ] - [ 0.0004568400000000, -0.0006104300000000, -0.0014609900000000 ] - [ -0.0001577900000000, -0.0000020700000000, -0.0025297400000000 ] - [ -0.0000263800000000, 0.0000000000000000, -0.0022057800000000 ] - [ -0.0001577900000000, 0.0000020700000000, -0.0025297400000000 ] - [ 0.0002639800000000, 0.0000000000000000, -0.0024024500000000 ] - [ -0.0000695100000000, 0.0000000000000000, -0.0026451400000000 ] - [ 0.0001756200000000, -0.0001858000000000, -0.0026574400000000 ] - [ -0.0010928800000000, 0.0000000000000000, 0.0003940100000000 ] - [ 0.0003470400000000, 0.0000000000000000, -0.0024385100000000 ] - [ -0.0012741700000000, 0.0000000000000000, -0.0030505500000000 ] - [ 0.0001756200000000, 0.0001858000000000, -0.0026574400000000 ] - [ 0.0004595900000000, 0.0000000000000000, -0.0024988600000000 ] - [ 0.0026833100000000, 0.0019898800000000, -0.0006969100000000 ] - [ -0.0050948200000000, 0.0000000000000000, 0.0140988600000000 ] - [ 0.0028264500000000, -0.0006820200000000, 0.0301993900000000 ] - [ 0.0009990800000000, 0.0000000000000000, 0.0071220200000000 ] - [ 0.0026833100000000, -0.0019898800000000, -0.0006969100000000 ] - [ -0.0016670100000000, 0.0000520400000000, 0.0060207500000000 ] - [ 0.0051097100000000, 0.0000000000000000, 0.0074976900000000 ] - [ -0.0077781600000000, 0.0000000000000000, -0.0047736600000000 ] - [ -0.0000447700000000, 0.0000000000000000, -0.0018850000000000 ] - [ -0.0000853000000000, 0.0000000000000000, -0.0010338600000000 ] - [ -0.0013339000000000, 0.0000000000000000, 0.0047230800000000 ] - [ -0.0001215500000000, 0.0000000000000000, -0.0024569100000000 ] - [ -0.0000060600000000, 0.0000000000000000, -0.0018221400000000 ] - [ 0.0006822700000000, 0.0000000000000000, -0.0024586300000000 ] - [ -0.0061303700000000, 0.0000000000000000, 0.0127518800000000 ] - [ 0.0001483800000000, 0.0000000000000000, -0.0015426800000000 ] - [ 0.0005086900000000, 0.0000393600000000, 0.0005133500000000 ] - [ -0.0002485300000000, 0.0000000000000000, 0.0012739300000000 ] - [ -0.0002686700000000, -0.0008323700000000, 0.0021767200000000 ] - [ 0.0002873800000000, 0.0000000000000000, 0.0017180400000000 ] - [ 0.0001092500000000, -0.0002263400000000, 0.0011482700000000 ] - [ -0.0002797200000000, 0.0000000000000000, 0.0017571300000000 ] - [ 0.0007624900000000, 0.0000000000000000, 0.0026367800000000 ] - [ 0.0002947000000000, -0.0000761400000000, 0.0015172800000000 ] - [ -0.0005650700000000, 0.0000000000000000, 0.0012062400000000 ] - [ 0.0001092500000000, 0.0002263400000000, 0.0011482700000000 ] - [ -0.0000920300000000, 0.0000000000000000, 0.0013395800000000 ] - [ 0.0002947000000000, 0.0000761400000000, 0.0015172800000000 ] - [ -0.0000260800000000, 0.0000639200000000, 0.0015508200000000 ] - [ 0.0001351900000000, 0.0000000000000000, 0.0015537900000000 ] - [ 0.0001561700000000, 0.0000000000000000, 0.0018135600000000 ] - [ -0.0000260800000000, -0.0000639200000000, 0.0015508200000000 ] - [ 0.0001715600000000, -0.0000161900000000, 0.0015046100000000 ] - [ 0.0000061100000000, 0.0000000000000000, 0.0014785200000000 ] - [ -0.0001402700000000, 0.0000000000000000, 0.0011843900000000 ] - [ 0.0001746800000000, 0.0000135600000000, 0.0015108700000000 ] - [ 0.0009089000000000, -0.0000417800000000, 0.0007270600000000 ] - [ -0.0000221200000000, 0.0000000000000000, 0.0015234200000000 ] - [ 0.0001377900000000, 0.0000000000000000, 0.0016407900000000 ] - [ 0.0001865500000000, -0.0000177500000000, 0.0012625100000000 ] - [ -0.0062806500000000, 0.0000000000000000, 0.0043043500000000 ] - [ -0.0011130900000000, -0.0001842700000000, 0.0022237400000000 ] - [ 0.0001865500000000, 0.0000177500000000, 0.0012625100000000 ] - [ 0.0018536700000000, 0.0000000000000000, 0.0030100300000000 ] - [ 0.0054537100000000, 0.0025951700000000, -0.0120768000000000 ] - [ 0.0040855600000000, 0.0000000000000000, -0.0014830100000000 ] - [ 0.0014520200000000, 0.0000000000000000, 0.0024300600000000 ] - [ -0.0193518800000000, 0.0000000000000000, 0.0181880100000000 ] - [ 0.0055876300000000, 0.0090954300000000, 0.0124400000000000 ] - [ 0.0054537100000000, -0.0025951700000000, -0.0120768000000000 ] - [ -0.0558289500000000, 0.0000000000000000, -0.1603841400000000 ] - [ 0.0055876300000000, -0.0090954300000000, 0.0124400000000000 ] - [ -0.0023574200000000, 0.0000000000000000, -0.0027497900000000 ] - [ 0.0012021400000000, 0.0000000000000000, -0.0041927300000000 ] - [ 0.0114265200000000, 0.0143066400000000, 0.0127082900000000 ] - [ -0.0009639300000000, -0.0001147600000000, -0.0025522300000000 ] - [ -0.0002686700000000, 0.0008323700000000, 0.0021767200000000 ] - [ -0.0000876100000000, 0.0000000000000000, 0.0018974100000000 ] - [ 0.0005086900000000, -0.0000393600000000, 0.0005133500000000 ] - [ -0.0020361800000000, 0.0000000000000000, 0.0015449500000000 ] - [ 0.0000163000000000, -0.0002219300000000, 0.0010103700000000 ] - [ -0.0002670500000000, 0.0000000000000000, 0.0011342400000000 ] - [ -0.0007909200000000, 0.0000000000000000, 0.0002032100000000 ] - [ -0.0003890700000000, 0.0000700400000000, 0.0013078900000000 ] - [ -0.0005918000000000, 0.0000000000000000, 0.0011638000000000 ] - [ 0.0000163000000000, 0.0002219300000000, 0.0010103700000000 ] - [ -0.0002379000000000, 0.0000000000000000, 0.0013479200000000 ] - [ -0.0003890700000000, -0.0000700400000000, 0.0013078900000000 ] - [ -0.0000377100000000, 0.0000649600000000, 0.0014346600000000 ] - [ 0.0001009600000000, 0.0000000000000000, 0.0015073800000000 ] - [ 0.0000476500000000, 0.0000000000000000, 0.0018335900000000 ] - [ -0.0000377100000000, -0.0000649600000000, 0.0014346600000000 ] - [ 0.0001746800000000, -0.0000135600000000, 0.0015108700000000 ] - [ -0.0001271900000000, 0.0000000000000000, 0.0018157500000000 ] - [ -0.0002618900000000, 0.0000000000000000, 0.0011894600000000 ] - [ 0.0001715600000000, 0.0000161900000000, 0.0015046100000000 ] - [ -0.0011130900000000, 0.0001842700000000, 0.0022237400000000 ] - [ 0.0002723200000000, 0.0000000000000000, 0.0010851900000000 ] - [ 0.0002621000000000, 0.0000000000000000, 0.0016645500000000 ] - [ -0.0002838700000000, -0.0000226800000000, 0.0010079100000000 ] - [ 0.0027916600000000, 0.0000000000000000, -0.0010122400000000 ] - [ 0.0009089000000000, 0.0000417800000000, 0.0007270600000000 ] - [ -0.0002838700000000, 0.0000226800000000, 0.0010079100000000 ] - [ -0.0015760900000000, 0.0000000000000000, 0.0012765800000000 ] - [ 0.0005505900000000, 0.0002334200000000, -0.0060200800000000 ] - [ -0.0022742000000000, 0.0000000000000000, -0.0019620400000000 ] - [ -0.0004886200000000, 0.0000000000000000, -0.0001206100000000 ] - [ 0.0032058600000000, 0.0000000000000000, -0.0026063300000000 ] - [ -0.0003545900000000, -0.0000375000000000, -0.0017799500000000 ] - [ 0.0005505900000000, -0.0002334200000000, -0.0060200800000000 ] - [ 0.0008956200000000, 0.0000000000000000, -0.0030478600000000 ] - [ -0.0003545900000000, 0.0000375000000000, -0.0017799500000000 ] - [ 0.0036959700000000, 0.0000000000000000, -0.0024032600000000 ] - [ -0.0010295900000000, 0.0000000000000000, -0.0136842200000000 ] - [ -0.0009639300000000, 0.0001147600000000, -0.0025522300000000 ] - [ 0.0114265200000000, -0.0143066400000000, 0.0127082900000000 ]- atom: 91 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0024840500000000, 0.0000000000000000, 0.0008324400000000 ] - [ 0.0010167700000000, 0.0000000000000000, 0.0012374500000000 ] - [ -0.0002955800000000, -0.0005288500000000, 0.0013947200000000 ] - [ -0.0000995000000000, 0.0000000000000000, 0.0016652700000000 ] - [ 0.0002176400000000, 0.0000873500000000, 0.0030327000000000 ] - [ 0.0002120000000000, 0.0000133700000000, 0.0026008400000000 ] - [ 0.0001060500000000, 0.0000000000000000, 0.0026199400000000 ] - [ 0.0002120000000000, -0.0000133700000000, 0.0026008400000000 ] - [ 0.0001876800000000, 0.0000000000000000, 0.0023023600000000 ] - [ 0.0001023900000000, 0.0000000000000000, 0.0025414000000000 ] - [ 0.0003805000000000, 0.0000201600000000, 0.0017639000000000 ] - [ -0.0027772700000000, 0.0000000000000000, 0.0075899000000000 ] - [ 0.0002443500000000, 0.0000000000000000, 0.0021873700000000 ] - [ -0.0006305800000000, 0.0000000000000000, 0.0026642800000000 ] - [ 0.0003805000000000, -0.0000201600000000, 0.0017639000000000 ] - [ 0.0001467700000000, 0.0000000000000000, 0.0019409700000000 ] - [ 0.0059046600000000, -0.0002314300000000, 0.0020440800000000 ] - [ -0.0043198900000000, 0.0000000000000000, -0.0103279200000000 ] - [ 0.0014488600000000, 0.0002867500000000, -0.0050509800000000 ] - [ -0.0443488200000000, 0.0000000000000000, -0.0555537200000000 ] - [ 0.0059046600000000, 0.0002314300000000, 0.0020440800000000 ] - [ -0.0034777200000000, -0.0000662000000000, -0.0286230400000000 ] - [ 0.0015297200000000, 0.0000000000000000, -0.0043837700000000 ] - [ -0.0021240600000000, 0.0000000000000000, -0.0016984100000000 ] - [ -0.0002724100000000, 0.0000000000000000, 0.0067991600000000 ] - [ -0.0013098100000000, 0.0000000000000000, 0.0017656200000000 ] - [ 0.0002176400000000, -0.0000873500000000, 0.0030327000000000 ] - [ -0.0001962700000000, 0.0000000000000000, 0.0020190900000000 ] - [ -0.0002955800000000, 0.0005288500000000, 0.0013947200000000 ] - [ 0.0001205600000000, 0.0000108000000000, 0.0025515200000000 ] - [ -0.0001716400000000, 0.0000000000000000, 0.0023778700000000 ] - [ 0.0001205600000000, -0.0000108000000000, 0.0025515200000000 ] - [ -0.0004608400000000, 0.0000000000000000, 0.0025295900000000 ] - [ 0.0000641200000000, 0.0000000000000000, 0.0026061200000000 ] - [ 0.0000198100000000, 0.0000382200000000, 0.0019241900000000 ] - [ 0.0011914900000000, 0.0000000000000000, -0.0008276400000000 ] - [ 0.0002585500000000, 0.0000000000000000, 0.0022201700000000 ] - [ 0.0013425200000000, 0.0000000000000000, 0.0023983400000000 ] - [ 0.0000198100000000, -0.0000382200000000, 0.0019241900000000 ] - [ 0.0002496300000000, 0.0000000000000000, 0.0021763000000000 ] - [ -0.0025836400000000, -0.0019180700000000, 0.0006961700000000 ] - [ 0.0048733400000000, 0.0000000000000000, -0.0134306400000000 ] - [ -0.0034777200000000, 0.0000662000000000, -0.0286230400000000 ] - [ -0.0005855600000000, 0.0000000000000000, -0.0060892300000000 ] - [ -0.0025836400000000, 0.0019180700000000, 0.0006961700000000 ] - [ 0.0014488600000000, -0.0002867500000000, -0.0050509800000000 ] - [ -0.0047532300000000, 0.0000000000000000, -0.0068618900000000 ] - [ 0.0078352200000000, 0.0000000000000000, 0.0045342500000000 ] - [ -0.0001231800000000, 0.0000000000000000, 0.0014672200000000 ] - [ 0.0001439100000000, 0.0000000000000000, 0.0010665100000000 ] - [ 0.0015845800000000, 0.0000000000000000, -0.0037357200000000 ] - [ 0.0001006900000000, 0.0000000000000000, 0.0019429800000000 ] - [ -0.0001622200000000, 0.0000000000000000, 0.0014031800000000 ] - [ -0.0006310700000000, 0.0000000000000000, 0.0025053200000000 ] - [ 0.0059464400000000, 0.0000000000000000, -0.0115618800000000 ] - [ -0.0001714000000000, 0.0000000000000000, 0.0010212400000000 ] - [ -0.0005233400000000, 0.0000334200000000, -0.0003023600000000 ] - [ 0.0000437900000000, 0.0000000000000000, -0.0017991600000000 ] - [ 0.0002534000000000, 0.0007568900000000, -0.0019617700000000 ] - [ -0.0009701800000000, 0.0000000000000000, -0.0027385800000000 ] - [ -0.0003720400000000, -0.0000002200000000, -0.0018204700000000 ] - [ -0.0001104300000000, 0.0000000000000000, -0.0017395700000000 ] - [ -0.0012010100000000, 0.0000000000000000, -0.0027696300000000 ] - [ -0.0004624100000000, 0.0000915900000000, -0.0018495200000000 ] - [ -0.0003388500000000, 0.0000000000000000, -0.0019532600000000 ] - [ -0.0003720400000000, 0.0000002200000000, -0.0018204700000000 ] - [ -0.0000705200000000, 0.0000000000000000, -0.0018019000000000 ] - [ -0.0004624100000000, -0.0000915900000000, -0.0018495200000000 ] - [ -0.0000229200000000, 0.0000202600000000, -0.0016709200000000 ] - [ 0.0002589000000000, 0.0000000000000000, -0.0017234500000000 ] - [ 0.0004227800000000, 0.0000000000000000, -0.0016008800000000 ] - [ -0.0000229200000000, -0.0000202600000000, -0.0016709200000000 ] - [ -0.0002767500000000, -0.0002820200000000, -0.0014648200000000 ] - [ -0.0001102000000000, 0.0000000000000000, -0.0013542500000000 ] - [ -0.0002240300000000, 0.0000000000000000, -0.0018744600000000 ] - [ -0.0002796900000000, 0.0002845900000000, -0.0014711800000000 ] - [ -0.0009577900000000, -0.0000454300000000, -0.0004203800000000 ] - [ 0.0002872800000000, 0.0000000000000000, -0.0020146100000000 ] - [ 0.0002045700000000, 0.0000000000000000, -0.0020860100000000 ] - [ -0.0003657600000000, -0.0000457900000000, -0.0022851900000000 ] - [ 0.0065736800000000, 0.0000000000000000, -0.0040271500000000 ] - [ 0.0010813600000000, 0.0002720800000000, -0.0019296200000000 ] - [ -0.0003657600000000, 0.0000457900000000, -0.0022851900000000 ] - [ -0.0022618300000000, 0.0000000000000000, -0.0034307400000000 ] - [ -0.0052220500000000, -0.0021737700000000, 0.0125336700000000 ] - [ -0.0032990800000000, 0.0000000000000000, 0.0018049500000000 ] - [ -0.0013369700000000, 0.0000000000000000, -0.0027149700000000 ] - [ 0.0189623000000000, 0.0000000000000000, -0.0171872300000000 ] - [ -0.0056907300000000, -0.0088988200000000, -0.0117540600000000 ] - [ -0.0052220500000000, 0.0021737700000000, 0.0125336700000000 ] - [ 0.0603065200000000, 0.0000000000000000, 0.1617045400000000 ] - [ -0.0056907300000000, 0.0088988200000000, -0.0117540600000000 ] - [ 0.0024693600000000, 0.0000000000000000, 0.0033992000000000 ] - [ -0.0007849800000000, 0.0000000000000000, 0.0042814900000000 ] - [ -0.0114122400000000, -0.0138138800000000, -0.0115594600000000 ] - [ 0.0008265800000000, -0.0001312400000000, 0.0034980400000000 ] - [ 0.0002534000000000, -0.0007568900000000, -0.0019617700000000 ] - [ -0.0001165800000000, 0.0000000000000000, -0.0024215000000000 ] - [ -0.0005233400000000, -0.0000334200000000, -0.0003023600000000 ] - [ 0.0013441500000000, 0.0000000000000000, -0.0025628000000000 ] - [ -0.0002791700000000, -0.0000045700000000, -0.0016828200000000 ] - [ -0.0001230300000000, 0.0000000000000000, -0.0011180900000000 ] - [ 0.0003507400000000, 0.0000000000000000, -0.0003420700000000 ] - [ 0.0002199200000000, -0.0000543200000000, -0.0016404400000000 ] - [ -0.0003121400000000, 0.0000000000000000, -0.0019107700000000 ] - [ -0.0002791700000000, 0.0000045700000000, -0.0016828200000000 ] - [ 0.0000752000000000, 0.0000000000000000, -0.0018102200000000 ] - [ 0.0002199200000000, 0.0000543200000000, -0.0016404400000000 ] - [ -0.0000113900000000, 0.0000192600000000, -0.0015537800000000 ] - [ 0.0002940700000000, 0.0000000000000000, -0.0016762100000000 ] - [ 0.0005309500000000, 0.0000000000000000, -0.0016207600000000 ] - [ -0.0000113900000000, -0.0000192600000000, -0.0015537800000000 ] - [ -0.0002796900000000, -0.0002845900000000, -0.0014711800000000 ] - [ 0.0000243800000000, 0.0000000000000000, -0.0016945700000000 ] - [ -0.0001012200000000, 0.0000000000000000, -0.0018794500000000 ] - [ -0.0002767500000000, 0.0002820200000000, -0.0014648200000000 ] - [ 0.0010813600000000, -0.0002720800000000, -0.0019296200000000 ] - [ -0.0000096500000000, 0.0000000000000000, -0.0015725900000000 ] - [ 0.0000791300000000, 0.0000000000000000, -0.0021095300000000 ] - [ 0.0001084200000000, -0.0000407700000000, -0.0020279700000000 ] - [ -0.0025950400000000, 0.0000000000000000, 0.0013531300000000 ] - [ -0.0009577900000000, 0.0000454300000000, -0.0004203800000000 ] - [ 0.0001084200000000, 0.0000407700000000, -0.0020279700000000 ] - [ 0.0011990500000000, 0.0000000000000000, -0.0016779000000000 ] - [ -0.0005412800000000, 0.0000777300000000, 0.0064260500000000 ] - [ 0.0031050400000000, 0.0000000000000000, 0.0022785800000000 ] - [ 0.0006206500000000, 0.0000000000000000, -0.0001437400000000 ] - [ -0.0032787400000000, 0.0000000000000000, 0.0033356900000000 ] - [ 0.0003473000000000, 0.0004107900000000, 0.0027112200000000 ] - [ -0.0005412800000000, -0.0000777300000000, 0.0064260500000000 ] - [ -0.0007605300000000, 0.0000000000000000, 0.0041611500000000 ] - [ 0.0003473000000000, -0.0004107900000000, 0.0027112200000000 ] - [ -0.0035766200000000, 0.0000000000000000, 0.0030668700000000 ] - [ 0.0014255300000000, 0.0000000000000000, 0.0138102500000000 ] - [ 0.0008265800000000, 0.0001312400000000, 0.0034980400000000 ] - [ -0.0114122400000000, 0.0138138800000000, -0.0115594600000000 ]- atom: 93 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0043802200000000, 0.0000000000000000, -0.0005586900000000 ] - [ -0.0026761700000000, 0.0000000000000000, -0.0003504600000000 ] - [ -0.0018081900000000, 0.0023239300000000, 0.0030994900000000 ] - [ -0.0004497900000000, 0.0000000000000000, 0.0004324200000000 ] - [ 0.0004155200000000, -0.0000303300000000, -0.0021391800000000 ] - [ -0.0001048200000000, 0.0000220000000000, 0.0004397800000000 ] - [ -0.0002273500000000, 0.0000000000000000, 0.0000138100000000 ] - [ -0.0001048200000000, -0.0000220000000000, 0.0004397800000000 ] - [ -0.0014179400000000, 0.0000000000000000, 0.0003531900000000 ] - [ 0.0000497400000000, 0.0000000000000000, 0.0005469200000000 ] - [ 0.0001437900000000, -0.0000534900000000, 0.0000672300000000 ] - [ -0.0000706400000000, 0.0000000000000000, 0.0009896100000000 ] - [ 0.0002176200000000, 0.0000000000000000, 0.0004310900000000 ] - [ -0.0001780700000000, 0.0000000000000000, 0.0004362900000000 ] - [ 0.0001437900000000, 0.0000534900000000, 0.0000672300000000 ] - [ 0.0002575200000000, 0.0000000000000000, 0.0003219500000000 ] - [ 0.0013643500000000, 0.0000471400000000, -0.0000014400000000 ] - [ 0.0068342000000000, 0.0000000000000000, -0.0069751800000000 ] - [ -0.0108255000000000, 0.0003740200000000, -0.0036694500000000 ] - [ 0.0052802100000000, 0.0000000000000000, -0.0006475300000000 ] - [ 0.0013643500000000, -0.0000471400000000, -0.0000014400000000 ] - [ 0.0350087400000000, -0.0174665100000000, -0.0154845600000000 ] - [ -0.0005419800000000, 0.0000000000000000, -0.0019644100000000 ] - [ 0.1160281100000000, 0.0000000000000000, -0.0392321500000000 ] - [ 0.0060076200000000, 0.0000000000000000, 0.0000713100000000 ] - [ 0.0053741200000000, 0.0000000000000000, 0.0008582400000000 ] - [ 0.0004155200000000, 0.0000303300000000, -0.0021391800000000 ] - [ 0.0001993800000000, 0.0000000000000000, -0.0004137900000000 ] - [ -0.0018081900000000, -0.0023239300000000, 0.0030994900000000 ] - [ 0.0001271100000000, 0.0000306100000000, 0.0006875800000000 ] - [ 0.0001034400000000, 0.0000000000000000, 0.0013359600000000 ] - [ 0.0001271100000000, -0.0000306100000000, 0.0006875800000000 ] - [ 0.0011417400000000, 0.0000000000000000, 0.0004035500000000 ] - [ -0.0000188900000000, 0.0000000000000000, 0.0005295800000000 ] - [ 0.0000904900000000, -0.0000375200000000, 0.0001511200000000 ] - [ -0.0002660300000000, 0.0000000000000000, -0.0005630700000000 ] - [ 0.0003650400000000, 0.0000000000000000, 0.0003390600000000 ] - [ 0.0002362700000000, 0.0000000000000000, 0.0000882400000000 ] - [ 0.0000904900000000, 0.0000375200000000, 0.0001511200000000 ] - [ 0.0003826200000000, 0.0000000000000000, 0.0002970800000000 ] - [ -0.0010501300000000, 0.0004877800000000, 0.0008405500000000 ] - [ -0.0130113700000000, 0.0000000000000000, 0.0018405700000000 ] - [ 0.0350087400000000, 0.0174665100000000, -0.0154845600000000 ] - [ -0.0039442100000000, 0.0000000000000000, 0.0001335600000000 ] - [ -0.0010501300000000, -0.0004877800000000, 0.0008405500000000 ] - [ -0.0108255000000000, -0.0003740200000000, -0.0036694500000000 ] - [ 0.0019702700000000, 0.0000000000000000, 0.0079160400000000 ] - [ -0.0065858400000000, 0.0000000000000000, -0.0063582800000000 ] - [ -0.0000798200000000, 0.0000000000000000, 0.0001179400000000 ] - [ -0.0000732100000000, 0.0000000000000000, 0.0001949500000000 ] - [ 0.0007331100000000, 0.0000000000000000, -0.0076024500000000 ] - [ 0.0000704700000000, 0.0000000000000000, 0.0001631900000000 ] - [ -0.0001126300000000, 0.0000000000000000, 0.0001657800000000 ] - [ 0.0001308800000000, 0.0000000000000000, 0.0005784900000000 ] - [ -0.0022846500000000, 0.0000000000000000, 0.0025559000000000 ] - [ -0.0000903100000000, 0.0000000000000000, 0.0001192000000000 ] - [ 0.0023642700000000, -0.0003362100000000, -0.0003154300000000 ] - [ 0.0004237500000000, 0.0000000000000000, -0.0010354200000000 ] - [ -0.0027650800000000, 0.0003779200000000, 0.0022115200000000 ] - [ 0.0006460900000000, 0.0000000000000000, 0.0011006000000000 ] - [ -0.0001302100000000, -0.0001248000000000, -0.0003836900000000 ] - [ -0.0005273500000000, 0.0000000000000000, 0.0006182700000000 ] - [ 0.0010041000000000, 0.0000000000000000, 0.0028917500000000 ] - [ 0.0007100200000000, -0.0000936800000000, 0.0002223400000000 ] - [ -0.0004043900000000, 0.0000000000000000, -0.0006324900000000 ] - [ -0.0001302100000000, 0.0001248000000000, -0.0003836900000000 ] - [ 0.0001970000000000, 0.0000000000000000, -0.0004628700000000 ] - [ 0.0007100200000000, 0.0000936800000000, 0.0002223400000000 ] - [ -0.0000326400000000, 0.0000387100000000, -0.0003948000000000 ] - [ 0.0002328100000000, 0.0000000000000000, -0.0003767600000000 ] - [ 0.0005396700000000, 0.0000000000000000, -0.0002560900000000 ] - [ -0.0000326400000000, -0.0000387100000000, -0.0003948000000000 ] - [ -0.0001535800000000, -0.0001662300000000, -0.0003098500000000 ] - [ -0.0000321600000000, 0.0000000000000000, -0.0002257400000000 ] - [ -0.0001962600000000, 0.0000000000000000, -0.0006569300000000 ] - [ -0.0000510200000000, 0.0001831200000000, -0.0002898800000000 ] - [ -0.0000492400000000, -0.0000594400000000, 0.0001823300000000 ] - [ 0.0001344500000000, 0.0000000000000000, -0.0006705700000000 ] - [ 0.0001886200000000, 0.0000000000000000, -0.0006477100000000 ] - [ -0.0001508700000000, -0.0000242600000000, -0.0008292700000000 ] - [ 0.0006901300000000, 0.0000000000000000, -0.0006270500000000 ] - [ 0.0000226200000000, -0.0000188200000000, -0.0004946100000000 ] - [ -0.0001508700000000, 0.0000242600000000, -0.0008292700000000 ] - [ -0.0005993100000000, 0.0000000000000000, -0.0005418600000000 ] - [ -0.0063768400000000, -0.0034183800000000, 0.0068095900000000 ] - [ -0.0002081000000000, 0.0000000000000000, 0.0013822100000000 ] - [ -0.0004646400000000, 0.0000000000000000, -0.0006934500000000 ] - [ -0.0091411100000000, 0.0000000000000000, 0.0023305200000000 ] - [ -0.0016882000000000, 0.0010816900000000, -0.0008758200000000 ] - [ -0.0063768400000000, 0.0034183800000000, 0.0068095900000000 ] - [ -0.0036095300000000, 0.0000000000000000, -0.0013561700000000 ] - [ -0.0016882000000000, -0.0010816900000000, -0.0008758200000000 ] - [ -0.2361709100000000, 0.0000000000000000, 0.0934851400000000 ] - [ 0.0025032500000000, 0.0000000000000000, 0.0045454400000000 ] - [ 0.0150799800000000, -0.0104111300000000, 0.0021226300000000 ] - [ 0.0157747500000000, 0.0096672400000000, 0.0042055600000000 ] - [ -0.0027650800000000, -0.0003779200000000, 0.0022115200000000 ] - [ -0.0005343200000000, 0.0000000000000000, 0.0002987900000000 ] - [ 0.0023642700000000, 0.0003362100000000, -0.0003154300000000 ] - [ -0.0012059200000000, 0.0000000000000000, -0.0019239400000000 ] - [ -0.0001876500000000, -0.0000312200000000, -0.0008619800000000 ] - [ 0.0010491700000000, 0.0000000000000000, -0.0015853300000000 ] - [ 0.0025512500000000, 0.0000000000000000, -0.0101255400000000 ] - [ -0.0012949000000000, 0.0006271600000000, -0.0014104300000000 ] - [ -0.0004438500000000, 0.0000000000000000, -0.0007689100000000 ] - [ -0.0001876500000000, 0.0000312200000000, -0.0008619800000000 ] - [ -0.0003531900000000, 0.0000000000000000, -0.0006418300000000 ] - [ -0.0012949000000000, -0.0006271600000000, -0.0014104300000000 ] - [ -0.0000135800000000, 0.0000384400000000, -0.0003905000000000 ] - [ 0.0002057200000000, 0.0000000000000000, -0.0004920100000000 ] - [ 0.0001528400000000, 0.0000000000000000, -0.0003533400000000 ] - [ -0.0000135800000000, -0.0000384400000000, -0.0003905000000000 ] - [ -0.0000510200000000, -0.0001831200000000, -0.0002898800000000 ] - [ -0.0000766900000000, 0.0000000000000000, -0.0003222400000000 ] - [ -0.0001598900000000, 0.0000000000000000, -0.0006842600000000 ] - [ -0.0001535800000000, 0.0001662300000000, -0.0003098500000000 ] - [ 0.0000226200000000, 0.0000188200000000, -0.0004946100000000 ] - [ 0.0001470500000000, 0.0000000000000000, -0.0005120700000000 ] - [ 0.0001431800000000, 0.0000000000000000, -0.0006060300000000 ] - [ -0.0000340500000000, -0.0000236000000000, -0.0008823000000000 ] - [ -0.0003940500000000, 0.0000000000000000, 0.0008491300000000 ] - [ -0.0000492400000000, 0.0000594400000000, 0.0001823300000000 ] - [ -0.0000340500000000, 0.0000236000000000, -0.0008823000000000 ] - [ 0.0001654300000000, 0.0000000000000000, -0.0004843300000000 ] - [ 0.0044993000000000, -0.0001025000000000, -0.0002225100000000 ] - [ 0.0025219400000000, 0.0000000000000000, -0.0021308400000000 ] - [ 0.0006536300000000, 0.0000000000000000, -0.0005025200000000 ] - [ 0.0058599700000000, 0.0000000000000000, 0.0013155000000000 ] - [ 0.0010545900000000, -0.0000291400000000, 0.0010840000000000 ] - [ 0.0044993000000000, 0.0001025000000000, -0.0002225100000000 ] - [ 0.0037301300000000, 0.0000000000000000, 0.0036835500000000 ] - [ 0.0010545900000000, 0.0000291400000000, 0.0010840000000000 ] - [ 0.0087344100000000, 0.0000000000000000, 0.0000490000000000 ] - [ 0.0131957900000000, 0.0000000000000000, -0.0261374500000000 ] - [ 0.0157747500000000, -0.0096672400000000, 0.0042055600000000 ] - [ 0.0150799800000000, 0.0104111300000000, 0.0021226300000000 ]- atom: 93 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0046836800000000, 0.0000000000000000, 0.0011347400000000 ] - [ 0.0025602300000000, 0.0000000000000000, -0.0004380700000000 ] - [ 0.0019671800000000, -0.0022543200000000, -0.0031901700000000 ] - [ 0.0002217000000000, 0.0000000000000000, -0.0011507600000000 ] - [ -0.0002322900000000, -0.0000491400000000, 0.0020674300000000 ] - [ 0.0000679000000000, -0.0000132600000000, -0.0004297200000000 ] - [ 0.0000338600000000, 0.0000000000000000, 0.0001487300000000 ] - [ 0.0000679000000000, 0.0000132600000000, -0.0004297200000000 ] - [ 0.0012251800000000, 0.0000000000000000, -0.0002377900000000 ] - [ -0.0000558100000000, 0.0000000000000000, -0.0005982500000000 ] - [ 0.0000520300000000, -0.0000946300000000, -0.0008106800000000 ] - [ 0.0001732800000000, 0.0000000000000000, -0.0014128900000000 ] - [ 0.0003878500000000, 0.0000000000000000, -0.0006603800000000 ] - [ 0.0002356300000000, 0.0000000000000000, -0.0010975600000000 ] - [ 0.0000520300000000, 0.0000946300000000, -0.0008106800000000 ] - [ 0.0004513000000000, 0.0000000000000000, -0.0006546800000000 ] - [ -0.0012442000000000, 0.0000339700000000, -0.0000051600000000 ] - [ -0.0072326200000000, 0.0000000000000000, 0.0076613800000000 ] - [ 0.0106391700000000, -0.0001434700000000, 0.0046602600000000 ] - [ -0.0048097700000000, 0.0000000000000000, 0.0016835100000000 ] - [ -0.0012442000000000, -0.0000339700000000, -0.0000051600000000 ] - [ -0.0349708200000000, 0.0162631800000000, 0.0158423500000000 ] - [ 0.0009070600000000, 0.0000000000000000, 0.0027354800000000 ] - [ -0.1231095900000000, 0.0000000000000000, 0.0425136800000000 ] - [ -0.0057608800000000, 0.0000000000000000, 0.0005734700000000 ] - [ -0.0055359300000000, 0.0000000000000000, -0.0016231300000000 ] - [ -0.0002322900000000, 0.0000491400000000, 0.0020674300000000 ] - [ -0.0004282600000000, 0.0000000000000000, -0.0002966700000000 ] - [ 0.0019671800000000, 0.0022543200000000, -0.0031901700000000 ] - [ -0.0001663600000000, -0.0000219000000000, -0.0006777000000000 ] - [ -0.0003054000000000, 0.0000000000000000, -0.0011769800000000 ] - [ -0.0001663600000000, 0.0000219000000000, -0.0006777000000000 ] - [ -0.0013465600000000, 0.0000000000000000, -0.0002797700000000 ] - [ 0.0000134800000000, 0.0000000000000000, -0.0005809300000000 ] - [ 0.0001062500000000, -0.0001104200000000, -0.0008940200000000 ] - [ 0.0003462800000000, 0.0000000000000000, 0.0001457200000000 ] - [ 0.0002403700000000, 0.0000000000000000, -0.0005683000000000 ] - [ -0.0001801400000000, 0.0000000000000000, -0.0007535300000000 ] - [ 0.0001062500000000, 0.0001104200000000, -0.0008940200000000 ] - [ 0.0003275300000000, 0.0000000000000000, -0.0006305800000000 ] - [ 0.0011680400000000, -0.0004009900000000, -0.0008301400000000 ] - [ 0.0127625300000000, 0.0000000000000000, -0.0012217400000000 ] - [ -0.0349708200000000, -0.0162631800000000, 0.0158423500000000 ] - [ 0.0043582100000000, 0.0000000000000000, 0.0009757000000000 ] - [ 0.0011680400000000, 0.0004009900000000, -0.0008301400000000 ] - [ 0.0106391700000000, 0.0001434700000000, 0.0046602600000000 ] - [ -0.0015507000000000, 0.0000000000000000, -0.0071724500000000 ] - [ 0.0066774000000000, 0.0000000000000000, 0.0060904100000000 ] - [ -0.0000879000000000, 0.0000000000000000, -0.0005451900000000 ] - [ 0.0001278200000000, 0.0000000000000000, -0.0001639100000000 ] - [ -0.0005401600000000, 0.0000000000000000, 0.0086563900000000 ] - [ -0.0000916200000000, 0.0000000000000000, -0.0006887900000000 ] - [ -0.0000553300000000, 0.0000000000000000, -0.0005933000000000 ] - [ -0.0000707900000000, 0.0000000000000000, -0.0005474900000000 ] - [ 0.0025622100000000, 0.0000000000000000, -0.0015175000000000 ] - [ 0.0000679600000000, 0.0000000000000000, -0.0006419900000000 ] - [ -0.0023854700000000, 0.0004126600000000, 0.0005420800000000 ] - [ -0.0006262400000000, 0.0000000000000000, 0.0005219300000000 ] - [ 0.0027381500000000, -0.0004553100000000, -0.0020277600000000 ] - [ -0.0013439700000000, 0.0000000000000000, -0.0021164300000000 ] - [ -0.0001327500000000, -0.0001025500000000, -0.0002854000000000 ] - [ 0.0001309800000000, 0.0000000000000000, -0.0006044400000000 ] - [ -0.0014551700000000, 0.0000000000000000, -0.0030109300000000 ] - [ -0.0008838100000000, 0.0001091300000000, -0.0005466200000000 ] - [ -0.0004976200000000, 0.0000000000000000, -0.0001093600000000 ] - [ -0.0001327500000000, 0.0001025500000000, -0.0002854000000000 ] - [ -0.0003621400000000, 0.0000000000000000, 0.0000087300000000 ] - [ -0.0008838100000000, -0.0001091300000000, -0.0005466200000000 ] - [ -0.0000164200000000, 0.0000456700000000, 0.0002812000000000 ] - [ 0.0001606000000000, 0.0000000000000000, 0.0002127200000000 ] - [ 0.0000362500000000, 0.0000000000000000, 0.0004760300000000 ] - [ -0.0000164200000000, -0.0000456700000000, 0.0002812000000000 ] - [ 0.0000490300000000, -0.0001317100000000, 0.0003553700000000 ] - [ -0.0000709800000000, 0.0000000000000000, 0.0003548300000000 ] - [ -0.0001682100000000, 0.0000000000000000, -0.0000265500000000 ] - [ -0.0000539300000000, 0.0001146800000000, 0.0003355700000000 ] - [ 0.0000107000000000, -0.0000286400000000, 0.0001240500000000 ] - [ 0.0001303200000000, 0.0000000000000000, 0.0001875300000000 ] - [ 0.0001529200000000, 0.0000000000000000, 0.0002104700000000 ] - [ -0.0000270500000000, -0.0000379100000000, -0.0001838600000000 ] - [ -0.0004770500000000, 0.0000000000000000, 0.0009359600000000 ] - [ -0.0000681000000000, 0.0001062000000000, 0.0007966200000000 ] - [ -0.0000270500000000, 0.0000379100000000, -0.0001838600000000 ] - [ 0.0002112100000000, 0.0000000000000000, 0.0001492500000000 ] - [ 0.0064990800000000, 0.0036624300000000, -0.0063043900000000 ] - [ 0.0010356300000000, 0.0000000000000000, -0.0010634500000000 ] - [ 0.0005899200000000, 0.0000000000000000, 0.0004281200000000 ] - [ 0.0090862700000000, 0.0000000000000000, -0.0016135100000000 ] - [ 0.0016634900000000, -0.0007035200000000, 0.0017927700000000 ] - [ 0.0064990800000000, -0.0036624300000000, -0.0063043900000000 ] - [ 0.0037038000000000, 0.0000000000000000, 0.0024643100000000 ] - [ 0.0016634900000000, 0.0007035200000000, 0.0017927700000000 ] - [ 0.2429477300000000, 0.0000000000000000, -0.0951630300000000 ] - [ -0.0020805900000000, 0.0000000000000000, -0.0045126300000000 ] - [ -0.0150695400000000, 0.0105191500000000, -0.0011612700000000 ] - [ -0.0161212100000000, -0.0100946600000000, -0.0032639700000000 ] - [ 0.0027381500000000, 0.0004553100000000, -0.0020277600000000 ] - [ 0.0003258800000000, 0.0000000000000000, -0.0008259600000000 ] - [ -0.0023854700000000, -0.0004126600000000, 0.0005420800000000 ] - [ 0.0005381900000000, 0.0000000000000000, 0.0009036200000000 ] - [ -0.0000724900000000, -0.0001960700000000, 0.0001956200000000 ] - [ -0.0014410000000000, 0.0000000000000000, 0.0016156900000000 ] - [ -0.0029907700000000, 0.0000000000000000, 0.0100816700000000 ] - [ 0.0011352900000000, -0.0006159600000000, 0.0010872400000000 ] - [ -0.0004575300000000, 0.0000000000000000, 0.0000274600000000 ] - [ -0.0000724900000000, 0.0001960700000000, 0.0001956200000000 ] - [ 0.0001910000000000, 0.0000000000000000, 0.0001864000000000 ] - [ 0.0011352900000000, 0.0006159600000000, 0.0010872400000000 ] - [ -0.0000350500000000, 0.0000459700000000, 0.0002769400000000 ] - [ 0.0001891700000000, 0.0000000000000000, 0.0003290700000000 ] - [ 0.0004254200000000, 0.0000000000000000, 0.0005719400000000 ] - [ -0.0000350500000000, -0.0000459700000000, 0.0002769400000000 ] - [ -0.0000539300000000, -0.0001146800000000, 0.0003355700000000 ] - [ -0.0000277800000000, 0.0000000000000000, 0.0004509800000000 ] - [ -0.0002044400000000, 0.0000000000000000, 0.0000001300000000 ] - [ 0.0000490300000000, 0.0001317100000000, 0.0003553700000000 ] - [ -0.0000681000000000, -0.0001062000000000, 0.0007966200000000 ] - [ 0.0001185000000000, 0.0000000000000000, 0.0000295300000000 ] - [ 0.0001984800000000, 0.0000000000000000, 0.0001698000000000 ] - [ -0.0001439700000000, -0.0000386700000000, -0.0001326400000000 ] - [ 0.0006204000000000, 0.0000000000000000, -0.0005267500000000 ] - [ 0.0000107000000000, 0.0000286400000000, 0.0001240500000000 ] - [ -0.0001439700000000, 0.0000386700000000, -0.0001326400000000 ] - [ -0.0005522900000000, 0.0000000000000000, 0.0000860700000000 ] - [ -0.0044660900000000, 0.0004284400000000, 0.0006127600000000 ] - [ -0.0017048700000000, 0.0000000000000000, 0.0024088500000000 ] - [ -0.0005238900000000, 0.0000000000000000, 0.0002291500000000 ] - [ -0.0059634200000000, 0.0000000000000000, -0.0005748100000000 ] - [ -0.0010608500000000, 0.0004005500000000, -0.0001813000000000 ] - [ -0.0044660900000000, -0.0004284400000000, 0.0006127600000000 ] - [ -0.0035936800000000, 0.0000000000000000, -0.0026062300000000 ] - [ -0.0010608500000000, -0.0004005500000000, -0.0001813000000000 ] - [ -0.0086286500000000, 0.0000000000000000, 0.0006223600000000 ] - [ -0.0127163100000000, 0.0000000000000000, 0.0259340200000000 ] - [ -0.0161212100000000, 0.0100946600000000, -0.0032639700000000 ] - [ -0.0150695400000000, -0.0105191500000000, -0.0011612700000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001387900000000, 0.0005981900000000, 0.0002950800000000 ] - [ -0.0000649200000000, -0.0001825500000000, -0.0003880800000000 ] - [ 0.0000960700000000, 0.0001511100000000, -0.0003301600000000 ] - [ -0.0001144000000000, -0.0000252700000000, -0.0003555400000000 ] - [ -0.0012826000000000, 0.0000463300000000, -0.0008884900000000 ] - [ -0.0000103300000000, 0.0000052500000000, 0.0000130700000000 ] - [ -0.0001001300000000, 0.0000396000000000, 0.0000823300000000 ] - [ -0.0000285200000000, -0.0000042500000000, 0.0000013300000000 ] - [ -0.0001016700000000, 0.0000238800000000, 0.0000617800000000 ] - [ -0.0000025600000000, 0.0000000900000000, -0.0000234600000000 ] - [ 0.0000998100000000, -0.0000732500000000, -0.0003673300000000 ] - [ 0.0000458300000000, -0.0003765300000000, -0.0002083000000000 ] - [ 0.0003021300000000, -0.0000022500000000, -0.0001128400000000 ] - [ 0.0000282000000000, -0.0000346200000000, -0.0003292200000000 ] - [ 0.0000964400000000, 0.0000746400000000, -0.0003714100000000 ] - [ 0.0003547900000000, -0.0000033500000000, -0.0001645600000000 ] - [ 0.0002815400000000, 0.0000319600000000, 0.0003769400000000 ] - [ -0.0000634100000000, -0.0131615600000000, 0.0003172200000000 ] - [ -0.0027614600000000, 0.0003508800000000, -0.0013440900000000 ] - [ 0.0002103800000000, -0.0061882200000000, 0.0005482300000000 ] - [ -0.0001663100000000, -0.0000541900000000, -0.0003667700000000 ] - [ -0.0201563800000000, 0.0486462600000000, 0.0226493500000000 ] - [ 0.0002012900000000, -0.0004938800000000, 0.0003781200000000 ] - [ 0.0004399000000000, 0.0210523100000000, -0.0002688800000000 ] - [ 0.0001432400000000, -0.0074895700000000, 0.0002344900000000 ] - [ -0.0000472400000000, 0.0025941900000000, -0.0003773100000000 ] - [ 0.0014379400000000, 0.0001264800000000, 0.0008121700000000 ] - [ -0.0001134000000000, -0.0000466700000000, -0.0003571800000000 ] - [ 0.0000595000000000, 0.0000443600000000, 0.0002657600000000 ] - [ -0.0000097400000000, 0.0000055400000000, 0.0000150500000000 ] - [ -0.0000981300000000, 0.0001228400000000, 0.0000847800000000 ] - [ -0.0000278500000000, -0.0000039100000000, 0.0000000400000000 ] - [ -0.0000967800000000, -0.0002704500000000, 0.0000604300000000 ] - [ -0.0000027300000000, 0.0000008700000000, -0.0000235000000000 ] - [ 0.0001000000000000, -0.0000731900000000, -0.0003680400000000 ] - [ 0.0000479300000000, -0.0000200100000000, -0.0002092000000000 ] - [ 0.0003023400000000, -0.0000010000000000, -0.0001130600000000 ] - [ 0.0000281600000000, -0.0000302500000000, -0.0003288100000000 ] - [ 0.0000960200000000, 0.0000747500000000, -0.0003709500000000 ] - [ 0.0003546400000000, -0.0000033400000000, -0.0001644300000000 ] - [ 0.0000755000000000, 0.0000391200000000, -0.0000062100000000 ] - [ -0.0001192600000000, 0.0042243000000000, 0.0003079700000000 ] - [ 0.0218990000000000, 0.0515676400000000, -0.0236292400000000 ] - [ 0.0002075000000000, 0.0002134700000000, 0.0005446300000000 ] - [ 0.0000418100000000, -0.0000431400000000, 0.0000116400000000 ] - [ 0.0025231500000000, 0.0001144200000000, 0.0022867900000000 ] - [ 0.0001922100000000, 0.0004237800000000, 0.0003639500000000 ] - [ 0.0000201800000000, -0.0050963800000000, -0.0001275900000000 ] - [ -0.0000839800000000, -0.0000029600000000, -0.0002121400000000 ] - [ 0.0000292100000000, 0.0000163700000000, 0.0000171200000000 ] - [ 0.0001177200000000, 0.0053876600000000, 0.0004767400000000 ] - [ -0.0000110300000000, 0.0000061300000000, -0.0002604700000000 ] - [ -0.0000839300000000, -0.0000028100000000, -0.0002125100000000 ] - [ 0.0000284700000000, 0.0000332800000000, 0.0000168600000000 ] - [ 0.0001276900000000, -0.0004533300000000, 0.0005141300000000 ] - [ -0.0000107900000000, 0.0000048500000000, -0.0002607200000000 ] - [ -0.0001113300000000, 0.0000560600000000, 0.0004199500000000 ] - [ -0.0001026300000000, 0.0000510100000000, -0.0002588600000000 ] - [ 0.0017951100000000, 0.0011155300000000, 0.0042792600000000 ] - [ -0.0003405400000000, -0.0006009700000000, -0.0005094700000000 ] - [ -0.0001530500000000, -0.0001069900000000, -0.0003660300000000 ] - [ -0.0001950300000000, 0.0006815500000000, 0.0000126300000000 ] - [ -0.0002173800000000, 0.0007755000000000, -0.0000617900000000 ] - [ -0.0001310300000000, 0.0000189800000000, -0.0001494200000000 ] - [ -0.0004502800000000, -0.0000043200000000, -0.0003727200000000 ] - [ -0.0001090100000000, 0.0001200300000000, -0.0003030200000000 ] - [ -0.0000816900000000, 0.0000006900000000, -0.0002283500000000 ] - [ -0.0000356100000000, 0.0000040800000000, -0.0001771800000000 ] - [ -0.0000240900000000, 0.0000424900000000, -0.0000599800000000 ] - [ 0.0001975800000000, 0.0000027400000000, -0.0000845000000000 ] - [ 0.0002895400000000, 0.0000019700000000, 0.0001070600000000 ] - [ -0.0000246400000000, -0.0000419600000000, -0.0000579400000000 ] - [ -0.0000520300000000, -0.0001493800000000, 0.0000194000000000 ] - [ -0.0000520100000000, -0.0000025300000000, 0.0000623400000000 ] - [ -0.0001824000000000, 0.0000001800000000, -0.0003442700000000 ] - [ -0.0000530900000000, 0.0001491200000000, 0.0000215300000000 ] - [ -0.0000515100000000, -0.0000192900000000, 0.0000749500000000 ] - [ 0.0001326400000000, 0.0000053200000000, -0.0002429500000000 ] - [ 0.0001708000000000, 0.0000008700000000, -0.0002200900000000 ] - [ -0.0000875100000000, -0.0000299400000000, -0.0005138500000000 ] - [ 0.0001099900000000, 0.0000646800000000, 0.0001549000000000 ] - [ -0.0000744200000000, 0.0000622300000000, 0.0002091100000000 ] - [ -0.0000904300000000, 0.0000323600000000, -0.0005035400000000 ] - [ -0.0001935400000000, -0.0000344400000000, -0.0001993400000000 ] - [ -0.0042289800000000, 0.0123441800000000, -0.0156788300000000 ] - [ 0.0004044600000000, 0.0015447300000000, 0.0001388900000000 ] - [ 0.0000645800000000, 0.0000701400000000, -0.0001355500000000 ] - [ -0.0000503100000000, 0.0390707700000000, 0.0003767600000000 ] - [ 0.0005584800000000, 0.0001797800000000, -0.0001687800000000 ] - [ 0.0041988800000000, 0.0120117700000000, 0.0159182000000000 ] - [ 0.0000734400000000, 0.0034090700000000, 0.0005364200000000 ] - [ -0.0005651900000000, -0.0001876900000000, 0.0010774600000000 ] - [ -0.0022470800000000, -0.1809746000000000, 0.0026254100000000 ] - [ 0.0002012500000000, 0.0019505400000000, 0.0000453300000000 ] - [ -0.0089055100000000, 0.0040084400000000, 0.0007800600000000 ] - [ 0.0121872100000000, 0.0034704100000000, 0.0022050700000000 ] - [ -0.0018019300000000, 0.0012110300000000, -0.0040239300000000 ] - [ -0.0001013300000000, -0.0007028000000000, -0.0002561300000000 ] - [ 0.0001018600000000, -0.0000138200000000, -0.0002026100000000 ] - [ -0.0003505700000000, 0.0011048100000000, -0.0005021200000000 ] - [ -0.0001156200000000, -0.0001038300000000, -0.0003670400000000 ] - [ -0.0001908400000000, -0.0000300200000000, 0.0000062900000000 ] - [ -0.0001995500000000, -0.0033948000000000, -0.0001011100000000 ] - [ 0.0002692800000000, -0.0000986800000000, -0.0003200600000000 ] - [ -0.0004504900000000, -0.0000028900000000, -0.0003728100000000 ] - [ -0.0001472200000000, 0.0001230700000000, -0.0003036200000000 ] - [ -0.0000825600000000, -0.0000072400000000, -0.0002284800000000 ] - [ -0.0004443500000000, -0.0001198900000000, -0.0000106500000000 ] - [ -0.0000242600000000, 0.0000425900000000, -0.0000601000000000 ] - [ 0.0001974500000000, 0.0000023300000000, -0.0000845300000000 ] - [ 0.0002885600000000, 0.0000083700000000, 0.0001072100000000 ] - [ -0.0000248300000000, -0.0000418400000000, -0.0000579000000000 ] - [ -0.0000513300000000, -0.0001495200000000, 0.0000192600000000 ] - [ -0.0000518700000000, -0.0000019800000000, 0.0000623400000000 ] - [ -0.0001821900000000, -0.0000002600000000, -0.0003444200000000 ] - [ -0.0000527400000000, 0.0001492700000000, 0.0000213600000000 ] - [ 0.0000325100000000, -0.0000261200000000, 0.0000913800000000 ] - [ 0.0001321800000000, 0.0000071500000000, -0.0002431600000000 ] - [ 0.0001707200000000, 0.0000007800000000, -0.0002198500000000 ] - [ -0.0000859000000000, -0.0000295300000000, -0.0005146600000000 ] - [ 0.0001084200000000, -0.0005522100000000, 0.0001547100000000 ] - [ 0.0000084700000000, 0.0000678400000000, 0.0002242500000000 ] - [ -0.0000920400000000, 0.0000329700000000, -0.0005026100000000 ] - [ -0.0001931600000000, 0.0000108000000000, -0.0001991700000000 ] - [ -0.0003665300000000, -0.0000438200000000, 0.0008197800000000 ] - [ 0.0004050300000000, -0.0000273600000000, 0.0001487900000000 ] - [ 0.0000633900000000, -0.0000058400000000, -0.0001346100000000 ] - [ -0.0000403000000000, -0.0014944900000000, 0.0003727700000000 ] - [ -0.0000399000000000, 0.0001919500000000, 0.0004742300000000 ] - [ 0.0004068900000000, -0.0003728900000000, -0.0004206500000000 ] - [ 0.0000693300000000, -0.0013688900000000, 0.0005556900000000 ] - [ 0.0000269600000000, -0.0001816200000000, 0.0004379400000000 ] - [ 0.0000625900000000, 0.0022039400000000, 0.0003386700000000 ] - [ 0.0001630500000000, -0.0047798100000000, 0.0000828700000000 ] - [ -0.0123960400000000, 0.0036756300000000, -0.0012455500000000 ] - [ 0.0088354000000000, 0.0037408700000000, 0.0001745300000000 ]- atom: 93 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0003393400000000, 0.0000000000000000, 0.0041622100000000 ] - [ 0.0000240400000000, 0.0000000000000000, 0.0000315700000000 ] - [ 0.0030366200000000, -0.0026934400000000, -0.0017896400000000 ] - [ 0.0002346200000000, 0.0000000000000000, -0.0017688300000000 ] - [ -0.0038467100000000, 0.0000604000000000, -0.0008288500000000 ] - [ -0.0002714800000000, -0.0000340300000000, -0.0020484500000000 ] - [ -0.0010207000000000, 0.0000000000000000, -0.0016270200000000 ] - [ -0.0002714800000000, 0.0000340300000000, -0.0020484500000000 ] - [ 0.0004701600000000, 0.0000000000000000, -0.0010791500000000 ] - [ -0.0000861500000000, 0.0000000000000000, -0.0022544600000000 ] - [ -0.0000165900000000, -0.0001864800000000, -0.0022749800000000 ] - [ 0.0012650700000000, 0.0000000000000000, -0.0023111600000000 ] - [ 0.0004083200000000, 0.0000000000000000, -0.0020530700000000 ] - [ 0.0001983600000000, 0.0000000000000000, -0.0025926400000000 ] - [ -0.0000165900000000, 0.0001864800000000, -0.0022749800000000 ] - [ 0.0004523900000000, 0.0000000000000000, -0.0019942000000000 ] - [ -0.0001956200000000, -0.0004047900000000, -0.0025699000000000 ] - [ -0.0033859600000000, 0.0000000000000000, 0.0133768800000000 ] - [ -0.0001630800000000, 0.0002281900000000, 0.0051261900000000 ] - [ 0.0048303600000000, 0.0000000000000000, -0.0041646600000000 ] - [ -0.0001956200000000, 0.0004047900000000, -0.0025699000000000 ] - [ -0.0123310500000000, 0.0195005300000000, 0.0371520700000000 ] - [ -0.0022614700000000, 0.0000000000000000, 0.0005028100000000 ] - [ -0.0210845500000000, 0.0000000000000000, 0.0292272400000000 ] - [ 0.0015618200000000, 0.0000000000000000, 0.0032908400000000 ] - [ -0.0007900400000000, 0.0000000000000000, -0.0075064000000000 ] - [ -0.0038467100000000, -0.0000604000000000, -0.0008288500000000 ] - [ -0.0003351600000000, 0.0000000000000000, -0.0024543700000000 ] - [ 0.0030366200000000, 0.0026934400000000, -0.0017896400000000 ] - [ -0.0000948500000000, -0.0000322400000000, -0.0022827500000000 ] - [ 0.0002172700000000, 0.0000000000000000, -0.0024517400000000 ] - [ -0.0000948500000000, 0.0000322400000000, -0.0022827500000000 ] - [ 0.0001220500000000, 0.0000000000000000, -0.0026370000000000 ] - [ -0.0000631600000000, 0.0000000000000000, -0.0021940700000000 ] - [ 0.0000783000000000, -0.0001744100000000, -0.0022322800000000 ] - [ -0.0008345800000000, 0.0000000000000000, -0.0013944500000000 ] - [ 0.0002921100000000, 0.0000000000000000, -0.0020925000000000 ] - [ -0.0000721000000000, 0.0000000000000000, -0.0028356300000000 ] - [ 0.0000783000000000, 0.0001744100000000, -0.0022322800000000 ] - [ 0.0005057100000000, 0.0000000000000000, -0.0020639000000000 ] - [ 0.0004495400000000, -0.0003489200000000, -0.0012840600000000 ] - [ 0.0034622400000000, 0.0000000000000000, 0.0085375100000000 ] - [ -0.0123310500000000, -0.0195005300000000, 0.0371520700000000 ] - [ 0.0009226000000000, 0.0000000000000000, 0.0016034300000000 ] - [ 0.0004495400000000, 0.0003489200000000, -0.0012840600000000 ] - [ -0.0001630800000000, -0.0002281900000000, 0.0051261900000000 ] - [ 0.0011484000000000, 0.0000000000000000, -0.0051729700000000 ] - [ -0.0010448000000000, 0.0000000000000000, 0.0043967400000000 ] - [ -0.0000459400000000, 0.0000000000000000, -0.0015978500000000 ] - [ -0.0002092900000000, 0.0000000000000000, -0.0013772000000000 ] - [ -0.0072824900000000, 0.0000000000000000, -0.0038138700000000 ] - [ 0.0000201400000000, 0.0000000000000000, -0.0018968400000000 ] - [ -0.0000285900000000, 0.0000000000000000, -0.0016113500000000 ] - [ 0.0002060300000000, 0.0000000000000000, -0.0015184300000000 ] - [ 0.0016156600000000, 0.0000000000000000, 0.0021372200000000 ] - [ -0.0000489700000000, 0.0000000000000000, -0.0016519000000000 ] - [ -0.0012186400000000, 0.0002076700000000, -0.0011072100000000 ] - [ -0.0007285100000000, 0.0000000000000000, 0.0002625900000000 ] - [ 0.0036298000000000, 0.0036227800000000, 0.0053712600000000 ] - [ 0.0014038400000000, 0.0000000000000000, -0.0017177900000000 ] - [ 0.0002841700000000, -0.0001891400000000, 0.0008769800000000 ] - [ 0.0012185900000000, 0.0000000000000000, 0.0021329700000000 ] - [ 0.0011820000000000, 0.0000000000000000, -0.0019253300000000 ] - [ 0.0002213300000000, -0.0000088000000000, 0.0001676400000000 ] - [ -0.0005152900000000, 0.0000000000000000, 0.0009039700000000 ] - [ 0.0002841700000000, 0.0001891400000000, 0.0008769800000000 ] - [ -0.0001604100000000, 0.0000000000000000, 0.0008273800000000 ] - [ 0.0002213300000000, 0.0000088000000000, 0.0001676400000000 ] - [ -0.0000392700000000, 0.0000577800000000, 0.0012576200000000 ] - [ 0.0001604000000000, 0.0000000000000000, 0.0012704000000000 ] - [ 0.0001050800000000, 0.0000000000000000, 0.0014147000000000 ] - [ -0.0000392700000000, -0.0000577800000000, 0.0012576200000000 ] - [ 0.0001684100000000, -0.0000426300000000, 0.0013243200000000 ] - [ 0.0000081300000000, 0.0000000000000000, 0.0014002000000000 ] - [ -0.0001791500000000, 0.0000000000000000, 0.0009656900000000 ] - [ 0.0001085800000000, 0.0000355300000000, 0.0012401200000000 ] - [ 0.0003039600000000, -0.0000881100000000, 0.0016309700000000 ] - [ 0.0000615700000000, 0.0000000000000000, 0.0011267100000000 ] - [ 0.0001671100000000, 0.0000000000000000, 0.0013475000000000 ] - [ -0.0000591100000000, -0.0000490600000000, 0.0009190900000000 ] - [ -0.0005177700000000, 0.0000000000000000, 0.0007448900000000 ] - [ -0.0003252700000000, 0.0000961600000000, 0.0014515500000000 ] - [ -0.0000591100000000, 0.0000490600000000, 0.0009190900000000 ] - [ -0.0001275300000000, 0.0000000000000000, 0.0013728900000000 ] - [ 0.0049560300000000, -0.0140409000000000, 0.0109978200000000 ] - [ 0.0018222900000000, 0.0000000000000000, 0.0031178000000000 ] - [ 0.0000235000000000, 0.0000000000000000, 0.0015886700000000 ] - [ -0.0002436800000000, 0.0000000000000000, -0.0103689500000000 ] - [ -0.0004513100000000, -0.0002519000000000, 0.0024855700000000 ] - [ 0.0049560300000000, 0.0140409000000000, 0.0109978200000000 ] - [ -0.0027278500000000, 0.0000000000000000, -0.0024531600000000 ] - [ -0.0004513100000000, 0.0002519000000000, 0.0024855700000000 ] - [ 0.0587641200000000, 0.0000000000000000, -0.1255784800000000 ] - [ 0.0022596100000000, 0.0000000000000000, -0.0031527700000000 ] - [ 0.0016561500000000, 0.0002788100000000, -0.0053239200000000 ] - [ -0.0011925400000000, -0.0010016100000000, -0.0062264000000000 ] - [ 0.0036298000000000, -0.0036227800000000, 0.0053712600000000 ] - [ 0.0009362200000000, 0.0000000000000000, 0.0015940700000000 ] - [ -0.0012186400000000, -0.0002076700000000, -0.0011072100000000 ] - [ -0.0018016200000000, 0.0000000000000000, -0.0008253300000000 ] - [ -0.0001762100000000, -0.0002924200000000, 0.0008772100000000 ] - [ -0.0019163100000000, 0.0000000000000000, 0.0017060400000000 ] - [ -0.0086807700000000, 0.0000000000000000, 0.0083942300000000 ] - [ -0.0003592200000000, -0.0005079000000000, 0.0018430700000000 ] - [ -0.0005870000000000, 0.0000000000000000, 0.0009777200000000 ] - [ -0.0001762100000000, 0.0002924200000000, 0.0008772100000000 ] - [ -0.0001291400000000, 0.0000000000000000, 0.0012589000000000 ] - [ -0.0003592200000000, 0.0005079000000000, 0.0018430700000000 ] - [ -0.0000179200000000, 0.0000583900000000, 0.0012671900000000 ] - [ 0.0000937600000000, 0.0000000000000000, 0.0013256400000000 ] - [ 0.0000913300000000, 0.0000000000000000, 0.0017834600000000 ] - [ -0.0000179200000000, -0.0000583900000000, 0.0012671900000000 ] - [ 0.0001085800000000, -0.0000355300000000, 0.0012401200000000 ] - [ -0.0000890300000000, 0.0000000000000000, 0.0014080000000000 ] - [ -0.0002242400000000, 0.0000000000000000, 0.0009303400000000 ] - [ 0.0001684100000000, 0.0000426300000000, 0.0013243200000000 ] - [ -0.0003252700000000, -0.0000961600000000, 0.0014515500000000 ] - [ 0.0001722600000000, 0.0000000000000000, 0.0011400100000000 ] - [ 0.0002094000000000, 0.0000000000000000, 0.0013999700000000 ] - [ -0.0001165300000000, -0.0000478600000000, 0.0007889000000000 ] - [ 0.0009624000000000, 0.0000000000000000, 0.0019349100000000 ] - [ 0.0003039600000000, 0.0000881100000000, 0.0016309700000000 ] - [ -0.0001165300000000, 0.0000478600000000, 0.0007889000000000 ] - [ -0.0002841000000000, 0.0000000000000000, 0.0008215900000000 ] - [ -0.0010687400000000, 0.0007498300000000, -0.0021714400000000 ] - [ -0.0012861700000000, 0.0000000000000000, 0.0015488400000000 ] - [ -0.0000910700000000, 0.0000000000000000, 0.0008976500000000 ] - [ -0.0000370600000000, 0.0000000000000000, -0.0031054800000000 ] - [ 0.0002892900000000, 0.0001469200000000, 0.0004486200000000 ] - [ -0.0010687400000000, -0.0007498300000000, -0.0021714400000000 ] - [ 0.0010193900000000, 0.0000000000000000, -0.0017880600000000 ] - [ 0.0002892900000000, -0.0001469200000000, 0.0004486200000000 ] - [ 0.0010130200000000, 0.0000000000000000, -0.0022666800000000 ] - [ -0.0175261200000000, 0.0000000000000000, 0.0142608900000000 ] - [ -0.0011925400000000, 0.0010016100000000, -0.0062264000000000 ] - [ 0.0016561500000000, -0.0002788100000000, -0.0053239200000000 ]- atom: 93 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0000447300000000, 0.0000000000000000, -0.0035476500000000 ] - [ -0.0001453400000000, 0.0000000000000000, -0.0007998300000000 ] - [ -0.0028638100000000, 0.0027576100000000, 0.0017153800000000 ] - [ -0.0004605100000000, 0.0000000000000000, 0.0010584400000000 ] - [ 0.0039908500000000, -0.0001376200000000, 0.0007653600000000 ] - [ 0.0002327700000000, 0.0000431700000000, 0.0020629900000000 ] - [ 0.0008181200000000, 0.0000000000000000, 0.0017940700000000 ] - [ 0.0002327700000000, -0.0000431700000000, 0.0020629900000000 ] - [ -0.0006642700000000, 0.0000000000000000, 0.0012054100000000 ] - [ 0.0000808200000000, 0.0000000000000000, 0.0022066400000000 ] - [ 0.0002127800000000, 0.0000385000000000, 0.0015359600000000 ] - [ -0.0011759800000000, 0.0000000000000000, 0.0018928000000000 ] - [ 0.0001963500000000, 0.0000000000000000, 0.0018265400000000 ] - [ -0.0001425200000000, 0.0000000000000000, 0.0019333900000000 ] - [ 0.0002127800000000, -0.0000385000000000, 0.0015359600000000 ] - [ 0.0002574100000000, 0.0000000000000000, 0.0016646700000000 ] - [ 0.0003115500000000, 0.0004911700000000, 0.0025800600000000 ] - [ 0.0031493700000000, 0.0000000000000000, -0.0128654200000000 ] - [ -0.0000662000000000, 0.0000104600000000, -0.0042056500000000 ] - [ -0.0044455800000000, 0.0000000000000000, 0.0052633100000000 ] - [ 0.0003115500000000, -0.0004911700000000, 0.0025800600000000 ] - [ 0.0125442900000000, -0.0203759400000000, -0.0362731100000000 ] - [ 0.0026694600000000, 0.0000000000000000, 0.0002480200000000 ] - [ 0.0209977800000000, 0.0000000000000000, -0.0297428500000000 ] - [ -0.0012796100000000, 0.0000000000000000, -0.0026463000000000 ] - [ 0.0006537400000000, 0.0000000000000000, 0.0066971700000000 ] - [ 0.0039908500000000, 0.0001376200000000, 0.0007653600000000 ] - [ 0.0001063200000000, 0.0000000000000000, 0.0017420400000000 ] - [ -0.0028638100000000, -0.0027576100000000, 0.0017153800000000 ] - [ 0.0000567300000000, 0.0000413700000000, 0.0022961000000000 ] - [ -0.0004149900000000, 0.0000000000000000, 0.0026138600000000 ] - [ 0.0000567300000000, -0.0000413700000000, 0.0022961000000000 ] - [ -0.0003191300000000, 0.0000000000000000, 0.0027557400000000 ] - [ 0.0000578000000000, 0.0000000000000000, 0.0021465400000000 ] - [ 0.0001176200000000, 0.0000263700000000, 0.0014930800000000 ] - [ 0.0009323700000000, 0.0000000000000000, 0.0009735700000000 ] - [ 0.0003120000000000, 0.0000000000000000, 0.0018658400000000 ] - [ 0.0001286100000000, 0.0000000000000000, 0.0021774700000000 ] - [ 0.0001176200000000, -0.0000263700000000, 0.0014930800000000 ] - [ 0.0002036900000000, 0.0000000000000000, 0.0017348800000000 ] - [ -0.0003343300000000, 0.0004348200000000, 0.0012882900000000 ] - [ -0.0036934900000000, 0.0000000000000000, -0.0079976200000000 ] - [ 0.0125442900000000, 0.0203759400000000, -0.0362731100000000 ] - [ -0.0005122400000000, 0.0000000000000000, -0.0005261400000000 ] - [ -0.0003343300000000, -0.0004348200000000, 0.0012882900000000 ] - [ -0.0000662000000000, -0.0000104600000000, -0.0042056500000000 ] - [ -0.0007567400000000, 0.0000000000000000, 0.0059338400000000 ] - [ 0.0011230100000000, 0.0000000000000000, -0.0046096000000000 ] - [ -0.0001222600000000, 0.0000000000000000, 0.0011741500000000 ] - [ 0.0002680600000000, 0.0000000000000000, 0.0014105800000000 ] - [ 0.0075924500000000, 0.0000000000000000, 0.0048536100000000 ] - [ -0.0000422300000000, 0.0000000000000000, 0.0013754900000000 ] - [ -0.0001394100000000, 0.0000000000000000, 0.0011871100000000 ] - [ -0.0001490600000000, 0.0000000000000000, 0.0015520900000000 ] - [ -0.0013537800000000, 0.0000000000000000, -0.0011305800000000 ] - [ 0.0000274200000000, 0.0000000000000000, 0.0011297600000000 ] - [ 0.0011952900000000, -0.0001327900000000, 0.0013166900000000 ] - [ 0.0005218500000000, 0.0000000000000000, -0.0007860700000000 ] - [ -0.0036047800000000, -0.0036426500000000, -0.0050868600000000 ] - [ -0.0020835400000000, 0.0000000000000000, 0.0006859400000000 ] - [ -0.0005458000000000, -0.0000378500000000, -0.0015458100000000 ] - [ -0.0016005300000000, 0.0000000000000000, -0.0021042800000000 ] - [ -0.0016173100000000, 0.0000000000000000, 0.0017804100000000 ] - [ -0.0003903000000000, 0.0000246400000000, -0.0004996500000000 ] - [ -0.0003845500000000, 0.0000000000000000, -0.0016495300000000 ] - [ -0.0005458000000000, 0.0000378500000000, -0.0015458100000000 ] - [ -0.0000047500000000, 0.0000000000000000, -0.0012840800000000 ] - [ -0.0003903000000000, -0.0000246400000000, -0.0004996500000000 ] - [ -0.0000089900000000, 0.0000271000000000, -0.0013751300000000 ] - [ 0.0002354200000000, 0.0000000000000000, -0.0014393100000000 ] - [ 0.0004724700000000, 0.0000000000000000, -0.0011995100000000 ] - [ -0.0000089900000000, -0.0000271000000000, -0.0013751300000000 ] - [ -0.0002735600000000, -0.0002564500000000, -0.0012827200000000 ] - [ -0.0001121400000000, 0.0000000000000000, -0.0012759100000000 ] - [ -0.0001863100000000, 0.0000000000000000, -0.0016537800000000 ] - [ -0.0002140300000000, 0.0002634600000000, -0.0011988600000000 ] - [ -0.0003470900000000, 0.0000016600000000, -0.0013310700000000 ] - [ 0.0002037800000000, 0.0000000000000000, -0.0016123500000000 ] - [ 0.0001744100000000, 0.0000000000000000, -0.0017864700000000 ] - [ -0.0001188600000000, -0.0000132400000000, -0.0019362900000000 ] - [ 0.0007378600000000, 0.0000000000000000, -0.0004297300000000 ] - [ 0.0002842800000000, -0.0000094100000000, -0.0011502400000000 ] - [ -0.0001188600000000, 0.0000132400000000, -0.0019362900000000 ] - [ -0.0002604200000000, 0.0000000000000000, -0.0017710700000000 ] - [ -0.0050076000000000, 0.0146172300000000, -0.0107738700000000 ] - [ -0.0010157300000000, 0.0000000000000000, -0.0028398000000000 ] - [ 0.0001053800000000, 0.0000000000000000, -0.0018604200000000 ] - [ 0.0001632300000000, 0.0000000000000000, 0.0110976100000000 ] - [ 0.0004427000000000, 0.0006258900000000, -0.0015757700000000 ] - [ -0.0050076000000000, -0.0146172300000000, -0.0107738700000000 ] - [ 0.0028759800000000, 0.0000000000000000, 0.0035876900000000 ] - [ 0.0004427000000000, -0.0006258900000000, -0.0015757700000000 ] - [ -0.0594033000000000, 0.0000000000000000, 0.1269943000000000 ] - [ -0.0018678300000000, 0.0000000000000000, 0.0032562900000000 ] - [ -0.0018485800000000, -0.0000006000000000, 0.0062918200000000 ] - [ 0.0010900200000000, 0.0007677800000000, 0.0071968600000000 ] - [ -0.0036047800000000, 0.0036426500000000, -0.0050868600000000 ] - [ -0.0011357300000000, 0.0000000000000000, -0.0021138300000000 ] - [ 0.0011952900000000, 0.0001327900000000, 0.0013166900000000 ] - [ 0.0011136200000000, 0.0000000000000000, -0.0002029200000000 ] - [ -0.0000872100000000, 0.0000647200000000, -0.0015453400000000 ] - [ 0.0015176500000000, 0.0000000000000000, -0.0016779400000000 ] - [ 0.0081437200000000, 0.0000000000000000, -0.0084217500000000 ] - [ 0.0001897800000000, 0.0005209300000000, -0.0021662700000000 ] - [ -0.0003132000000000, 0.0000000000000000, -0.0017227800000000 ] - [ -0.0000872100000000, -0.0000647200000000, -0.0015453400000000 ] - [ -0.0000353400000000, 0.0000000000000000, -0.0017137600000000 ] - [ 0.0001897800000000, -0.0005209300000000, -0.0021662700000000 ] - [ -0.0000306600000000, 0.0000265200000000, -0.0013846100000000 ] - [ 0.0003017900000000, 0.0000000000000000, -0.0014938900000000 ] - [ 0.0004864300000000, 0.0000000000000000, -0.0015665200000000 ] - [ -0.0000306600000000, -0.0000265200000000, -0.0013846100000000 ] - [ -0.0002140300000000, -0.0002634600000000, -0.0011988600000000 ] - [ -0.0000146300000000, 0.0000000000000000, -0.0012837400000000 ] - [ -0.0001408500000000, 0.0000000000000000, -0.0016187700000000 ] - [ -0.0002735600000000, 0.0002564500000000, -0.0012827200000000 ] - [ 0.0002842800000000, 0.0000094100000000, -0.0011502400000000 ] - [ 0.0000920200000000, 0.0000000000000000, -0.0016260000000000 ] - [ 0.0001321500000000, 0.0000000000000000, -0.0018389000000000 ] - [ -0.0000613400000000, -0.0000145900000000, -0.0018057600000000 ] - [ -0.0007472100000000, 0.0000000000000000, -0.0016258100000000 ] - [ -0.0003470900000000, -0.0000016600000000, -0.0013310700000000 ] - [ -0.0000613400000000, 0.0000145900000000, -0.0018057600000000 ] - [ -0.0001031700000000, 0.0000000000000000, -0.0012179800000000 ] - [ 0.0011112800000000, -0.0004291500000000, 0.0025914400000000 ] - [ 0.0021088800000000, 0.0000000000000000, -0.0012606800000000 ] - [ 0.0002196300000000, 0.0000000000000000, -0.0011670600000000 ] - [ -0.0000542800000000, 0.0000000000000000, 0.0038496200000000 ] - [ -0.0003024100000000, 0.0002259300000000, 0.0004682000000000 ] - [ 0.0011112800000000, 0.0004291500000000, 0.0025914400000000 ] - [ -0.0008892500000000, 0.0000000000000000, 0.0029110600000000 ] - [ -0.0003024100000000, -0.0002259300000000, 0.0004682000000000 ] - [ -0.0009054100000000, 0.0000000000000000, 0.0029488000000000 ] - [ 0.0182074700000000, 0.0000000000000000, -0.0143486100000000 ] - [ 0.0010900200000000, -0.0007677800000000, 0.0071968600000000 ] - [ -0.0018485800000000, 0.0000006000000000, 0.0062918200000000 ]- atom: 94 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ 0.0012623400000000, 0.0000000000000000, 0.0024706800000000 ] - [ 0.0006161300000000, 0.0000000000000000, 0.0008713200000000 ] - [ 0.0014241400000000, -0.0001418600000000, -0.0008774900000000 ] - [ 0.0000271500000000, 0.0000000000000000, -0.0003468000000000 ] - [ -0.0010718900000000, -0.0003890700000000, 0.0005597300000000 ] - [ -0.0000355600000000, 0.0000079900000000, 0.0000656300000000 ] - [ -0.0002508200000000, 0.0000000000000000, 0.0003188500000000 ] - [ -0.0000355600000000, -0.0000079900000000, 0.0000656300000000 ] - [ 0.0001447300000000, 0.0000000000000000, 0.0003177800000000 ] - [ 0.0000333800000000, 0.0000000000000000, -0.0000332800000000 ] - [ 0.0002514100000000, -0.0000438600000000, -0.0002823400000000 ] - [ -0.0032610900000000, 0.0000000000000000, 0.0001019700000000 ] - [ 0.0003317200000000, 0.0000000000000000, -0.0001628100000000 ] - [ -0.0004389700000000, 0.0000000000000000, -0.0008910200000000 ] - [ 0.0002514100000000, 0.0000438600000000, -0.0002823400000000 ] - [ 0.0005533400000000, 0.0000000000000000, -0.0003415800000000 ] - [ -0.0007761800000000, 0.0022924800000000, 0.0028507100000000 ] - [ 0.0119838300000000, 0.0000000000000000, -0.0056517800000000 ] - [ 0.0201355900000000, 0.0045813500000000, 0.0047714000000000 ] - [ -0.0078997200000000, 0.0000000000000000, 0.0061284100000000 ] - [ -0.0007761800000000, -0.0022924800000000, 0.0028507100000000 ] - [ -0.0083555100000000, -0.0006201100000000, -0.0031727500000000 ] - [ 0.0215766200000000, 0.0000000000000000, 0.0002795900000000 ] - [ -0.0013455100000000, 0.0000000000000000, -0.0028076200000000 ] - [ -0.0009649200000000, 0.0000000000000000, -0.0019071000000000 ] - [ -0.0008435200000000, 0.0000000000000000, -0.0011506000000000 ] - [ -0.0010718900000000, 0.0003890700000000, 0.0005597300000000 ] - [ -0.0002602300000000, 0.0000000000000000, -0.0003647000000000 ] - [ 0.0014241400000000, 0.0001418600000000, -0.0008774900000000 ] - [ 0.0000007900000000, 0.0000044800000000, -0.0000546700000000 ] - [ 0.0001059200000000, 0.0000000000000000, -0.0001535000000000 ] - [ 0.0000007900000000, -0.0000044800000000, -0.0000546700000000 ] - [ -0.0004226200000000, 0.0000000000000000, -0.0001998500000000 ] - [ -0.0000427000000000, 0.0000000000000000, -0.0000169900000000 ] - [ -0.0000759100000000, -0.0000844200000000, -0.0004502100000000 ] - [ 0.0048537600000000, 0.0000000000000000, -0.0018979500000000 ] - [ 0.0002724300000000, 0.0000000000000000, -0.0000654000000000 ] - [ 0.0002647000000000, 0.0000000000000000, 0.0002295600000000 ] - [ -0.0000759100000000, 0.0000844200000000, -0.0004502100000000 ] - [ 0.0001701600000000, 0.0000000000000000, -0.0000072800000000 ] - [ -0.0010931100000000, -0.0001772800000000, -0.0021729300000000 ] - [ -0.0068507600000000, 0.0000000000000000, 0.0063397400000000 ] - [ -0.0083555100000000, 0.0006201100000000, -0.0031727500000000 ] - [ 0.0041552100000000, 0.0000000000000000, -0.0049726000000000 ] - [ -0.0010931100000000, 0.0001772800000000, -0.0021729300000000 ] - [ 0.0201355900000000, -0.0045813500000000, 0.0047714000000000 ] - [ -0.0050479500000000, 0.0000000000000000, 0.0005271000000000 ] - [ -0.0070114700000000, 0.0000000000000000, 0.0025607500000000 ] - [ -0.0001171200000000, 0.0000000000000000, -0.0001775200000000 ] - [ 0.0010080100000000, 0.0000000000000000, -0.0000403300000000 ] - [ 0.0033232800000000, 0.0000000000000000, 0.0023551400000000 ] - [ -0.0001623300000000, 0.0000000000000000, 0.0002916400000000 ] - [ -0.0000485800000000, 0.0000000000000000, -0.0002488200000000 ] - [ -0.0007483100000000, 0.0000000000000000, 0.0000816700000000 ] - [ -0.0092251600000000, 0.0000000000000000, -0.0013450300000000 ] - [ 0.0002102200000000, 0.0000000000000000, -0.0008129600000000 ] - [ -0.0014184900000000, 0.0002792500000000, -0.0006116900000000 ] - [ -0.0005332400000000, 0.0000000000000000, -0.0003068800000000 ] - [ 0.0009929600000000, -0.0000890700000000, 0.0006716800000000 ] - [ 0.0002309100000000, 0.0000000000000000, -0.0012499000000000 ] - [ -0.0000681700000000, -0.0000900500000000, -0.0003815300000000 ] - [ 0.0003224100000000, 0.0000000000000000, -0.0001390100000000 ] - [ 0.0010228200000000, 0.0000000000000000, -0.0022088500000000 ] - [ -0.0001744800000000, 0.0000889200000000, -0.0005363800000000 ] - [ -0.0004353300000000, 0.0000000000000000, -0.0004015500000000 ] - [ -0.0000681700000000, 0.0000900500000000, -0.0003815300000000 ] - [ -0.0001380900000000, 0.0000000000000000, -0.0003036600000000 ] - [ -0.0001744800000000, -0.0000889200000000, -0.0005363800000000 ] - [ 0.0000387800000000, 0.0000439000000000, -0.0000787300000000 ] - [ 0.0002192600000000, 0.0000000000000000, -0.0001154300000000 ] - [ 0.0002667500000000, 0.0000000000000000, 0.0000372000000000 ] - [ 0.0000387800000000, -0.0000439000000000, -0.0000787300000000 ] - [ -0.0000491600000000, -0.0001489400000000, 0.0000249700000000 ] - [ -0.0002599400000000, 0.0000000000000000, 0.0000544200000000 ] - [ -0.0002277600000000, 0.0000000000000000, -0.0003895700000000 ] - [ -0.0000548600000000, 0.0001490600000000, 0.0000188400000000 ] - [ -0.0013272200000000, 0.0002728900000000, -0.0004625400000000 ] - [ 0.0003821200000000, 0.0000000000000000, -0.0002282600000000 ] - [ 0.0002054600000000, 0.0000000000000000, -0.0001288800000000 ] - [ -0.0001453300000000, -0.0000078500000000, -0.0007629000000000 ] - [ 0.0022419200000000, 0.0000000000000000, 0.0019594800000000 ] - [ 0.0010184600000000, 0.0000594400000000, 0.0006332500000000 ] - [ -0.0001453300000000, 0.0000078500000000, -0.0007629000000000 ] - [ -0.0000772600000000, 0.0000000000000000, -0.0009141900000000 ] - [ 0.0158965600000000, -0.0071654600000000, 0.0016936800000000 ] - [ 0.0035454600000000, 0.0000000000000000, -0.0092720200000000 ] - [ 0.0013823900000000, 0.0000000000000000, -0.0019331900000000 ] - [ 0.0027975900000000, 0.0000000000000000, 0.0033814300000000 ] - [ 0.0024828600000000, -0.0003300900000000, -0.0007946000000000 ] - [ 0.0158965600000000, 0.0071654600000000, 0.0016936800000000 ] - [ 0.0060736800000000, 0.0000000000000000, 0.0006916300000000 ] - [ 0.0024828600000000, 0.0003300900000000, -0.0007946000000000 ] - [ 0.0023385900000000, 0.0000000000000000, 0.0021061300000000 ] - [ -0.1089773000000000, 0.0000000000000000, -0.0015703900000000 ] - [ 0.0040393100000000, -0.0000849400000000, 0.0002758500000000 ] - [ -0.0025377500000000, 0.0073986400000000, 0.0095903500000000 ] - [ 0.0009929600000000, 0.0000890700000000, 0.0006716800000000 ] - [ 0.0002909400000000, 0.0000000000000000, -0.0002108200000000 ] - [ -0.0014184900000000, -0.0002792500000000, -0.0006116900000000 ] - [ -0.0008270600000000, 0.0000000000000000, 0.0005530100000000 ] - [ -0.0002035500000000, -0.0001332300000000, -0.0002910900000000 ] - [ -0.0007062900000000, 0.0000000000000000, 0.0000185600000000 ] - [ -0.0001609000000000, 0.0000000000000000, 0.0020882200000000 ] - [ 0.0000212100000000, -0.0000694800000000, 0.0002836800000000 ] - [ -0.0004667300000000, 0.0000000000000000, -0.0003418800000000 ] - [ -0.0002035500000000, 0.0001332300000000, -0.0002910900000000 ] - [ -0.0000231800000000, 0.0000000000000000, -0.0001418000000000 ] - [ 0.0000212100000000, 0.0000694800000000, 0.0002836800000000 ] - [ -0.0000909100000000, 0.0000437600000000, -0.0000404000000000 ] - [ 0.0001754800000000, 0.0000000000000000, -0.0000540800000000 ] - [ 0.0003168200000000, 0.0000000000000000, 0.0001784800000000 ] - [ -0.0000909100000000, -0.0000437600000000, -0.0000404000000000 ] - [ -0.0000548600000000, -0.0001490600000000, 0.0000188400000000 ] - [ 0.0001492500000000, 0.0000000000000000, 0.0000717800000000 ] - [ -0.0001336600000000, 0.0000000000000000, -0.0002922600000000 ] - [ -0.0000491600000000, 0.0001489400000000, 0.0000249700000000 ] - [ 0.0010184600000000, -0.0000594400000000, 0.0006332500000000 ] - [ -0.0001037400000000, 0.0000000000000000, -0.0003299100000000 ] - [ 0.0001449000000000, 0.0000000000000000, -0.0003097200000000 ] - [ -0.0000143700000000, -0.0000516600000000, -0.0002159500000000 ] - [ -0.0016218700000000, 0.0000000000000000, -0.0016358800000000 ] - [ -0.0013272200000000, -0.0002728900000000, -0.0004625400000000 ] - [ -0.0000143700000000, 0.0000516600000000, -0.0002159500000000 ] - [ -0.0000722400000000, 0.0000000000000000, 0.0007859700000000 ] - [ 0.0113151300000000, -0.0096205100000000, -0.0013381700000000 ] - [ 0.0024632700000000, 0.0000000000000000, 0.0022840000000000 ] - [ 0.0002788700000000, 0.0000000000000000, 0.0016604200000000 ] - [ -0.0024753000000000, 0.0000000000000000, -0.0026080100000000 ] - [ -0.0031353900000000, -0.0026977600000000, 0.0053263500000000 ] - [ 0.0113151300000000, 0.0096205100000000, -0.0013381700000000 ] - [ -0.0080867400000000, 0.0000000000000000, 0.0004832400000000 ] - [ -0.0031353900000000, 0.0026977600000000, 0.0053263500000000 ] - [ 0.0129832300000000, 0.0000000000000000, -0.0194696400000000 ] - [ 0.0075646300000000, 0.0000000000000000, 0.0004396700000000 ] - [ -0.0025377500000000, -0.0073986400000000, 0.0095903500000000 ] - [ 0.0040393100000000, 0.0000849400000000, 0.0002758500000000 ]- atom: 94 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ -0.0009817400000000, 0.0000000000000000, -0.0018779200000000 ] - [ -0.0007459600000000, 0.0000000000000000, -0.0016494400000000 ] - [ -0.0012669100000000, 0.0002226800000000, 0.0008118800000000 ] - [ -0.0002565500000000, 0.0000000000000000, -0.0003643100000000 ] - [ 0.0012314800000000, 0.0003109600000000, -0.0006350300000000 ] - [ -0.0000025900000000, 0.0000007100000000, -0.0000515900000000 ] - [ 0.0000517900000000, 0.0000000000000000, -0.0001541900000000 ] - [ -0.0000025900000000, -0.0000007100000000, -0.0000515900000000 ] - [ -0.0003439700000000, 0.0000000000000000, -0.0001954300000000 ] - [ -0.0000387700000000, 0.0000000000000000, -0.0000135100000000 ] - [ -0.0000538700000000, -0.0001038600000000, -0.0004570100000000 ] - [ 0.0033445600000000, 0.0000000000000000, -0.0005087100000000 ] - [ 0.0002736900000000, 0.0000000000000000, -0.0000621900000000 ] - [ 0.0004892900000000, 0.0000000000000000, 0.0002326400000000 ] - [ -0.0000538700000000, 0.0001038600000000, -0.0004570100000000 ] - [ 0.0001562500000000, 0.0000000000000000, 0.0000111900000000 ] - [ 0.0008989700000000, -0.0022007000000000, -0.0028317500000000 ] - [ -0.0107564000000000, 0.0000000000000000, 0.0073150600000000 ] - [ -0.0205167000000000, -0.0040444900000000, -0.0035080800000000 ] - [ 0.0082869500000000, 0.0000000000000000, -0.0049929900000000 ] - [ 0.0008989700000000, 0.0022007000000000, -0.0028317500000000 ] - [ 0.0081249200000000, 0.0003853000000000, 0.0040832600000000 ] - [ -0.0211082000000000, 0.0000000000000000, 0.0013009100000000 ] - [ 0.0014538200000000, 0.0000000000000000, 0.0025614900000000 ] - [ 0.0012654000000000, 0.0000000000000000, 0.0024880200000000 ] - [ 0.0007277900000000, 0.0000000000000000, 0.0003733900000000 ] - [ 0.0012314800000000, -0.0003109600000000, -0.0006350300000000 ] - [ 0.0000319500000000, 0.0000000000000000, -0.0003480400000000 ] - [ -0.0012669100000000, -0.0002226800000000, 0.0008118800000000 ] - [ -0.0000385900000000, 0.0000042800000000, 0.0000689900000000 ] - [ -0.0003042600000000, 0.0000000000000000, 0.0003201500000000 ] - [ -0.0000385900000000, -0.0000042800000000, 0.0000689900000000 ] - [ 0.0002276400000000, 0.0000000000000000, 0.0003220200000000 ] - [ 0.0000366400000000, 0.0000000000000000, -0.0000296200000000 ] - [ 0.0002708500000000, -0.0000633100000000, -0.0002890600000000 ] - [ -0.0047254600000000, 0.0000000000000000, 0.0014600700000000 ] - [ 0.0003333700000000, 0.0000000000000000, -0.0001595800000000 ] - [ -0.0002046600000000, 0.0000000000000000, -0.0008861300000000 ] - [ 0.0002708500000000, 0.0000633100000000, -0.0002890600000000 ] - [ 0.0005391500000000, 0.0000000000000000, -0.0003212700000000 ] - [ 0.0011794800000000, 0.0002556700000000, 0.0021783400000000 ] - [ 0.0065936400000000, 0.0000000000000000, -0.0057830800000000 ] - [ 0.0081249200000000, -0.0003853000000000, 0.0040832600000000 ] - [ -0.0038286500000000, 0.0000000000000000, 0.0060798400000000 ] - [ 0.0011794800000000, -0.0002556700000000, 0.0021783400000000 ] - [ -0.0205167000000000, 0.0040444900000000, -0.0035080800000000 ] - [ 0.0054279800000000, 0.0000000000000000, 0.0002575800000000 ] - [ 0.0070599600000000, 0.0000000000000000, -0.0028161500000000 ] - [ -0.0000508800000000, 0.0000000000000000, -0.0002464400000000 ] - [ -0.0009452300000000, 0.0000000000000000, 0.0000720900000000 ] - [ -0.0030021600000000, 0.0000000000000000, -0.0013395500000000 ] - [ 0.0001406700000000, 0.0000000000000000, -0.0008097900000000 ] - [ -0.0001193600000000, 0.0000000000000000, -0.0001759400000000 ] - [ 0.0008030300000000, 0.0000000000000000, -0.0000446300000000 ] - [ 0.0095231600000000, 0.0000000000000000, 0.0023760000000000 ] - [ -0.0002315800000000, 0.0000000000000000, 0.0002871600000000 ] - [ 0.0014076700000000, -0.0002068000000000, 0.0008269000000000 ] - [ 0.0003301800000000, 0.0000000000000000, -0.0002153300000000 ] - [ -0.0010115900000000, 0.0000133800000000, -0.0004515300000000 ] - [ -0.0009141200000000, 0.0000000000000000, 0.0002287500000000 ] - [ -0.0001928200000000, -0.0001368200000000, -0.0002878900000000 ] - [ -0.0007126400000000, 0.0000000000000000, 0.0001613400000000 ] - [ -0.0014629200000000, 0.0000000000000000, 0.0020871900000000 ] - [ 0.0000069600000000, -0.0000737000000000, 0.0002079700000000 ] - [ -0.0004659400000000, 0.0000000000000000, -0.0003424400000000 ] - [ -0.0001928200000000, 0.0001368200000000, -0.0002878900000000 ] - [ -0.0000255000000000, 0.0000000000000000, -0.0001539100000000 ] - [ 0.0000069600000000, 0.0000737000000000, 0.0002079700000000 ] - [ -0.0000873300000000, 0.0000405300000000, -0.0000373700000000 ] - [ 0.0001746800000000, 0.0000000000000000, -0.0000503100000000 ] - [ 0.0003110200000000, 0.0000000000000000, 0.0001796000000000 ] - [ -0.0000873300000000, -0.0000405300000000, -0.0000373700000000 ] - [ -0.0000558400000000, -0.0001487200000000, 0.0000187700000000 ] - [ 0.0001549900000000, 0.0000000000000000, 0.0000721600000000 ] - [ -0.0001372400000000, 0.0000000000000000, -0.0002966300000000 ] - [ -0.0000497600000000, 0.0001486200000000, 0.0000249800000000 ] - [ 0.0012768400000000, -0.0003585600000000, 0.0007626000000000 ] - [ -0.0001153500000000, 0.0000000000000000, -0.0002588600000000 ] - [ 0.0001356600000000, 0.0000000000000000, -0.0003105000000000 ] - [ -0.0000339400000000, -0.0000536600000000, -0.0002549600000000 ] - [ -0.0020128000000000, 0.0000000000000000, -0.0016592100000000 ] - [ -0.0010545500000000, 0.0000285900000000, -0.0003357600000000 ] - [ -0.0000339400000000, 0.0000536600000000, -0.0002549600000000 ] - [ -0.0003136600000000, 0.0000000000000000, 0.0005126700000000 ] - [ -0.0156223400000000, 0.0073532200000000, -0.0012778300000000 ] - [ -0.0027076600000000, 0.0000000000000000, 0.0094659400000000 ] - [ -0.0012517200000000, 0.0000000000000000, 0.0016522400000000 ] - [ -0.0028924400000000, 0.0000000000000000, -0.0026106200000000 ] - [ -0.0024898900000000, 0.0007032500000000, 0.0016914100000000 ] - [ -0.0156223400000000, -0.0073532200000000, -0.0012778300000000 ] - [ -0.0059245300000000, 0.0000000000000000, 0.0004190700000000 ] - [ -0.0024898900000000, -0.0007032500000000, 0.0016914100000000 ] - [ -0.0022461200000000, 0.0000000000000000, -0.0014025400000000 ] - [ 0.1080885400000000, 0.0000000000000000, -0.0010629900000000 ] - [ -0.0041724300000000, 0.0003311300000000, 0.0006990900000000 ] - [ 0.0023167300000000, -0.0076736900000000, -0.0086500600000000 ] - [ -0.0010115900000000, -0.0000133800000000, -0.0004515300000000 ] - [ -0.0004948100000000, 0.0000000000000000, -0.0003091300000000 ] - [ 0.0014076700000000, 0.0002068000000000, 0.0008269000000000 ] - [ 0.0001384900000000, 0.0000000000000000, -0.0015785600000000 ] - [ -0.0000574700000000, -0.0000934400000000, -0.0003790800000000 ] - [ 0.0003179500000000, 0.0000000000000000, 0.0000004600000000 ] - [ -0.0002842700000000, 0.0000000000000000, -0.0022300700000000 ] - [ -0.0001923800000000, 0.0000856900000000, -0.0006146400000000 ] - [ -0.0004347400000000, 0.0000000000000000, -0.0004022800000000 ] - [ -0.0000574700000000, 0.0000934400000000, -0.0003790800000000 ] - [ -0.0001412300000000, 0.0000000000000000, -0.0003160900000000 ] - [ -0.0001923800000000, -0.0000856900000000, -0.0006146400000000 ] - [ 0.0000414300000000, 0.0000408500000000, -0.0000753300000000 ] - [ 0.0002189500000000, 0.0000000000000000, -0.0001110200000000 ] - [ 0.0002602200000000, 0.0000000000000000, 0.0000381700000000 ] - [ 0.0000414300000000, -0.0000408500000000, -0.0000753300000000 ] - [ -0.0000497600000000, -0.0001486200000000, 0.0000249800000000 ] - [ -0.0002523900000000, 0.0000000000000000, 0.0000535000000000 ] - [ -0.0002303700000000, 0.0000000000000000, -0.0003936000000000 ] - [ -0.0000558400000000, 0.0001487200000000, 0.0000187700000000 ] - [ -0.0010545500000000, -0.0000285900000000, -0.0003357600000000 ] - [ 0.0003676800000000, 0.0000000000000000, -0.0001554700000000 ] - [ 0.0001960800000000, 0.0000000000000000, -0.0001303400000000 ] - [ -0.0001625100000000, -0.0000103400000000, -0.0007993900000000 ] - [ 0.0018233600000000, 0.0000000000000000, 0.0019396200000000 ] - [ 0.0012768400000000, 0.0003585600000000, 0.0007626000000000 ] - [ -0.0001625100000000, 0.0000103400000000, -0.0007993900000000 ] - [ -0.0003076000000000, 0.0000000000000000, -0.0011777800000000 ] - [ -0.0114094600000000, 0.0100974900000000, 0.0017519900000000 ] - [ -0.0016297400000000, 0.0000000000000000, -0.0020062600000000 ] - [ -0.0001420600000000, 0.0000000000000000, -0.0019140000000000 ] - [ 0.0024096400000000, 0.0000000000000000, 0.0033523800000000 ] - [ 0.0031563000000000, 0.0030604800000000, -0.0043791800000000 ] - [ -0.0114094600000000, -0.0100974900000000, 0.0017519900000000 ] - [ 0.0082444400000000, 0.0000000000000000, 0.0006090800000000 ] - [ 0.0031563000000000, -0.0030604800000000, -0.0043791800000000 ] - [ -0.0129272700000000, 0.0000000000000000, 0.0203720100000000 ] - [ -0.0071490000000000, 0.0000000000000000, -0.0003562600000000 ] - [ 0.0023167300000000, 0.0076736900000000, -0.0086500600000000 ] - [ -0.0041724300000000, -0.0003311300000000, 0.0006990900000000 ]- atom: 94 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001449900000000, -0.0004017400000000, 0.0002922800000000 ] - [ -0.0000605200000000, 0.0002648200000000, -0.0003862400000000 ] - [ 0.0002472000000000, 0.0000380800000000, 0.0004112200000000 ] - [ -0.0001136200000000, -0.0000055100000000, -0.0003559300000000 ] - [ 0.0000766100000000, -0.0000435900000000, -0.0000229800000000 ] - [ -0.0000170800000000, 0.0000052300000000, 0.0000079900000000 ] - [ -0.0000992900000000, 0.0000262600000000, 0.0000831600000000 ] - [ -0.0000207900000000, -0.0000039700000000, 0.0000059500000000 ] - [ -0.0000983600000000, -0.0000442800000000, 0.0000616600000000 ] - [ -0.0000026500000000, -0.0000021000000000, -0.0000238600000000 ] - [ 0.0001082800000000, -0.0000732000000000, -0.0003605400000000 ] - [ 0.0000528200000000, 0.0001505300000000, -0.0002084400000000 ] - [ 0.0003024300000000, -0.0000010500000000, -0.0001131300000000 ] - [ 0.0000297700000000, -0.0000443400000000, -0.0003280500000000 ] - [ 0.0000875100000000, 0.0000748600000000, -0.0003790500000000 ] - [ 0.0003544800000000, -0.0000147100000000, -0.0001643700000000 ] - [ 0.0001579900000000, 0.0001619000000000, -0.0001237300000000 ] - [ -0.0001355400000000, 0.0183269800000000, 0.0003173800000000 ] - [ 0.0028060600000000, 0.0070753600000000, -0.0017929600000000 ] - [ 0.0002266600000000, 0.0038450500000000, 0.0005461500000000 ] - [ -0.0000384200000000, 0.0001044400000000, 0.0001218000000000 ] - [ -0.0018750100000000, -0.0002213200000000, -0.0010778900000000 ] - [ 0.0001548100000000, 0.0168466900000000, 0.0008058900000000 ] - [ 0.0000321600000000, -0.0085621200000000, -0.0001257900000000 ] - [ 0.0001426400000000, 0.0004148900000000, 0.0002974500000000 ] - [ -0.0000627000000000, 0.0000254600000000, -0.0003882600000000 ] - [ 0.0000820700000000, 0.0000385500000000, -0.0000471200000000 ] - [ -0.0001138000000000, -0.0000013200000000, -0.0003558100000000 ] - [ -0.0000857800000000, -0.0000412200000000, -0.0004845800000000 ] - [ -0.0000168200000000, 0.0000052200000000, 0.0000091300000000 ] - [ -0.0000992500000000, 0.0000288200000000, 0.0000827000000000 ] - [ -0.0000211600000000, -0.0000040300000000, 0.0000046900000000 ] - [ -0.0000990000000000, -0.0000379200000000, 0.0000614600000000 ] - [ -0.0000024600000000, -0.0000015900000000, -0.0000238400000000 ] - [ 0.0001082600000000, -0.0000732500000000, -0.0003635900000000 ] - [ 0.0000434600000000, -0.0033478400000000, -0.0002016600000000 ] - [ 0.0003024000000000, 0.0000012000000000, -0.0001133600000000 ] - [ 0.0000281800000000, -0.0001895000000000, -0.0003298500000000 ] - [ 0.0000889300000000, 0.0000747600000000, -0.0003755700000000 ] - [ 0.0003551100000000, -0.0000172700000000, -0.0001649500000000 ] - [ 0.0020119600000000, 0.0002675900000000, 0.0013371000000000 ] - [ -0.0001119700000000, -0.0034100000000000, 0.0002874600000000 ] - [ 0.0016704300000000, 0.0000145700000000, 0.0020326600000000 ] - [ 0.0002386000000000, -0.0080294800000000, 0.0005715800000000 ] - [ -0.0018883100000000, 0.0001834800000000, -0.0013237400000000 ] - [ -0.0035635600000000, 0.0059249400000000, 0.0035028200000000 ] - [ 0.0002038800000000, -0.0006219600000000, 0.0003802400000000 ] - [ 0.0000168600000000, 0.0000272100000000, -0.0001255900000000 ] - [ -0.0000838400000000, -0.0000015300000000, -0.0002126000000000 ] - [ 0.0000266800000000, 0.0002100900000000, 0.0000168900000000 ] - [ 0.0000844000000000, -0.0086641800000000, 0.0005140200000000 ] - [ -0.0000106600000000, 0.0000252300000000, -0.0002622800000000 ] - [ -0.0000838800000000, -0.0000018100000000, -0.0002129900000000 ] - [ 0.0000300500000000, -0.0000133800000000, 0.0000168400000000 ] - [ 0.0001352300000000, 0.0027462100000000, 0.0005092300000000 ] - [ -0.0000110700000000, 0.0000524400000000, -0.0002597600000000 ] - [ 0.0002771600000000, -0.0000379200000000, -0.0002006000000000 ] - [ -0.0001020200000000, -0.0000468000000000, -0.0002595200000000 ] - [ -0.0000145900000000, -0.0000360700000000, 0.0000786200000000 ] - [ -0.0003429100000000, 0.0000451900000000, -0.0005097900000000 ] - [ -0.0001273900000000, -0.0001119600000000, -0.0003405900000000 ] - [ -0.0001940700000000, -0.0000098700000000, 0.0000105600000000 ] - [ -0.0002171200000000, -0.0000171600000000, -0.0000685300000000 ] - [ -0.0000392100000000, -0.0000016100000000, -0.0002115800000000 ] - [ -0.0004503900000000, -0.0000005800000000, -0.0003726900000000 ] - [ -0.0001348800000000, 0.0001154300000000, -0.0003292400000000 ] - [ -0.0000819600000000, -0.0000026100000000, -0.0002286400000000 ] - [ -0.0001304000000000, -0.0000176700000000, -0.0001169800000000 ] - [ -0.0000219300000000, 0.0000428900000000, -0.0000612500000000 ] - [ 0.0001971900000000, 0.0000008400000000, -0.0000844000000000 ] - [ 0.0002890000000000, 0.0000035100000000, 0.0001075700000000 ] - [ -0.0000270200000000, -0.0000412900000000, -0.0000559800000000 ] - [ -0.0000519600000000, -0.0001488700000000, 0.0000198200000000 ] - [ -0.0000514200000000, -0.0000084900000000, 0.0000627100000000 ] - [ -0.0001819100000000, -0.0000021100000000, -0.0003440800000000 ] - [ -0.0000523300000000, 0.0001491900000000, 0.0000216000000000 ] - [ 0.0003276400000000, 0.0000291500000000, -0.0000970900000000 ] - [ 0.0001319100000000, 0.0000022900000000, -0.0002427100000000 ] - [ 0.0001707500000000, 0.0000052500000000, -0.0002200700000000 ] - [ -0.0000736700000000, -0.0000220700000000, -0.0005412800000000 ] - [ 0.0001055100000000, -0.0007179300000000, 0.0001532700000000 ] - [ 0.0000235000000000, 0.0000419700000000, 0.0001363300000000 ] - [ -0.0001038500000000, 0.0000402800000000, -0.0004744700000000 ] - [ -0.0001927400000000, 0.0000611500000000, -0.0001994000000000 ] - [ -0.0093328600000000, 0.0015206200000000, -0.0007815300000000 ] - [ 0.0003853200000000, -0.0037025000000000, 0.0001812300000000 ] - [ 0.0000587000000000, -0.0000064800000000, -0.0001286100000000 ] - [ -0.0000450300000000, -0.0014475400000000, 0.0003699200000000 ] - [ -0.0001792000000000, 0.0001237700000000, 0.0009019100000000 ] - [ 0.0094035500000000, 0.0011634000000000, 0.0011849500000000 ] - [ 0.0000642900000000, -0.0019527700000000, 0.0005539500000000 ] - [ 0.0001589800000000, -0.0002538800000000, 0.0000095100000000 ] - [ 0.0000580600000000, 0.0019505300000000, 0.0003362500000000 ] - [ 0.0008217200000000, -0.1012278000000000, -0.0012872800000000 ] - [ -0.0003101000000000, -0.0000662200000000, 0.0009671300000000 ] - [ 0.0074304000000000, 0.0107121000000000, 0.0165495200000000 ] - [ 0.0000000900000000, 0.0000367200000000, 0.0001386300000000 ] - [ -0.0001016200000000, 0.0000086600000000, -0.0002600000000000 ] - [ -0.0002955600000000, -0.0001140000000000, 0.0004183100000000 ] - [ -0.0003418800000000, -0.0006281900000000, -0.0005091500000000 ] - [ -0.0001289600000000, -0.0001124200000000, -0.0003408600000000 ] - [ -0.0001949800000000, 0.0000272700000000, 0.0000111100000000 ] - [ -0.0002189600000000, 0.0013538700000000, -0.0000615100000000 ] - [ -0.0001261700000000, 0.0000251500000000, -0.0002449100000000 ] - [ -0.0004504400000000, -0.0000006300000000, -0.0003726500000000 ] - [ -0.0001332600000000, 0.0001149500000000, -0.0003287100000000 ] - [ -0.0000818100000000, -0.0000065400000000, -0.0002284400000000 ] - [ -0.0000425200000000, 0.0000098100000000, -0.0000822800000000 ] - [ -0.0000233100000000, 0.0000427700000000, -0.0000612200000000 ] - [ 0.0001975500000000, 0.0000005300000000, -0.0000840600000000 ] - [ 0.0002890800000000, 0.0000079000000000, 0.0001076300000000 ] - [ -0.0000253500000000, -0.0000414300000000, -0.0000562000000000 ] - [ -0.0000520300000000, -0.0001492700000000, 0.0000196200000000 ] - [ -0.0000521700000000, 0.0000007100000000, 0.0000627200000000 ] - [ -0.0001821300000000, -0.0000023900000000, -0.0003442100000000 ] - [ -0.0000521800000000, 0.0001492800000000, 0.0000217300000000 ] - [ -0.0000700600000000, -0.0000456000000000, 0.0001628300000000 ] - [ 0.0001329800000000, 0.0000186100000000, -0.0002426500000000 ] - [ 0.0001709000000000, 0.0000042600000000, -0.0002194900000000 ] - [ -0.0001015700000000, -0.0000244700000000, -0.0005404600000000 ] - [ 0.0001158400000000, 0.0010973800000000, 0.0001497700000000 ] - [ -0.0003647500000000, 0.0001208300000000, 0.0003987300000000 ] - [ -0.0000767300000000, 0.0000377800000000, -0.0004775900000000 ] - [ -0.0001940400000000, -0.0005116000000000, -0.0002020200000000 ] - [ -0.0077698600000000, 0.0064753400000000, 0.0011007900000000 ] - [ 0.0004036600000000, 0.0011477000000000, 0.0001431600000000 ] - [ 0.0000636700000000, 0.0015602200000000, -0.0001386200000000 ] - [ -0.0000505700000000, 0.0018639500000000, 0.0003864000000000 ] - [ -0.0032388800000000, 0.0035873900000000, -0.0064222000000000 ] - [ 0.0077091200000000, 0.0061387100000000, -0.0006974900000000 ] - [ 0.0000363300000000, 0.0379928000000000, 0.0005618700000000 ] - [ 0.0031999000000000, 0.0032148100000000, 0.0072622800000000 ] - [ 0.0001098800000000, -0.0047797000000000, 0.0002889600000000 ] - [ 0.0001930400000000, 0.0015101900000000, 0.0000406200000000 ] - [ -0.0075040800000000, 0.0109632100000000, -0.0154231700000000 ] - [ 0.0001717100000000, -0.0003085300000000, 0.0000050100000000 ]- atom: 94 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ 0.0024046100000000, 0.0000000000000000, -0.0008692700000000 ] - [ 0.0008116400000000, 0.0000000000000000, -0.0033650900000000 ] - [ 0.0003339200000000, -0.0004074700000000, -0.0037138900000000 ] - [ 0.0000192900000000, 0.0000000000000000, -0.0029888900000000 ] - [ 0.0002688200000000, 0.0002729100000000, -0.0016633900000000 ] - [ -0.0001797700000000, -0.0000138300000000, -0.0028819200000000 ] - [ -0.0001181400000000, 0.0000000000000000, -0.0025424400000000 ] - [ -0.0001797700000000, 0.0000138300000000, -0.0028819200000000 ] - [ 0.0004133500000000, 0.0000000000000000, -0.0026109100000000 ] - [ -0.0000844600000000, 0.0000000000000000, -0.0030244900000000 ] - [ 0.0001606300000000, -0.0002453600000000, -0.0029975100000000 ] - [ -0.0004882100000000, 0.0000000000000000, 0.0006842300000000 ] - [ 0.0003611800000000, 0.0000000000000000, -0.0027675100000000 ] - [ -0.0009863400000000, 0.0000000000000000, -0.0031631400000000 ] - [ 0.0001606300000000, 0.0002453600000000, -0.0029975100000000 ] - [ 0.0004690300000000, 0.0000000000000000, -0.0027770400000000 ] - [ 0.0033997300000000, -0.0028367400000000, -0.0016742200000000 ] - [ -0.0071351100000000, 0.0000000000000000, 0.0241956000000000 ] - [ 0.0077732000000000, -0.0063382700000000, 0.0259966900000000 ] - [ 0.0045202200000000, 0.0000000000000000, 0.0107569000000000 ] - [ 0.0033997300000000, 0.0028367400000000, -0.0016742200000000 ] - [ -0.0018268800000000, 0.0003759400000000, 0.0067752400000000 ] - [ 0.0036211400000000, 0.0000000000000000, 0.1323031800000000 ] - [ -0.0079398300000000, 0.0000000000000000, -0.0020485200000000 ] - [ -0.0020935800000000, 0.0000000000000000, -0.0003348600000000 ] - [ -0.0018173600000000, 0.0000000000000000, -0.0025866000000000 ] - [ 0.0002688200000000, -0.0002729100000000, -0.0016633900000000 ] - [ -0.0001448300000000, 0.0000000000000000, -0.0025975400000000 ] - [ 0.0003339200000000, 0.0004074700000000, -0.0037138900000000 ] - [ -0.0002753700000000, -0.0000222300000000, -0.0029643000000000 ] - [ -0.0003070700000000, 0.0000000000000000, -0.0028951600000000 ] - [ -0.0002753700000000, 0.0000222300000000, -0.0029643000000000 ] - [ -0.0004028400000000, 0.0000000000000000, -0.0025112900000000 ] - [ -0.0001094700000000, 0.0000000000000000, -0.0029465200000000 ] - [ -0.0001764200000000, -0.0002171600000000, -0.0028036300000000 ] - [ 0.0053613800000000, 0.0000000000000000, -0.0051477000000000 ] - [ 0.0003615700000000, 0.0000000000000000, -0.0027441700000000 ] - [ 0.0010107100000000, 0.0000000000000000, -0.0036061600000000 ] - [ -0.0001764200000000, 0.0002171600000000, -0.0028036300000000 ] - [ 0.0006236700000000, 0.0000000000000000, -0.0025698700000000 ] - [ -0.0058462400000000, -0.0007122100000000, -0.0020626400000000 ] - [ -0.0003982200000000, 0.0000000000000000, 0.0087707000000000 ] - [ -0.0018268800000000, -0.0003759400000000, 0.0067752400000000 ] - [ -0.0046908000000000, 0.0000000000000000, 0.0124652600000000 ] - [ -0.0058462400000000, 0.0007122100000000, -0.0020626400000000 ] - [ 0.0077732000000000, 0.0063382700000000, 0.0259966900000000 ] - [ -0.0011766700000000, 0.0000000000000000, 0.0060875300000000 ] - [ 0.0068463200000000, 0.0000000000000000, 0.0003707700000000 ] - [ 0.0000034800000000, 0.0000000000000000, -0.0020571700000000 ] - [ 0.0002496900000000, 0.0000000000000000, -0.0027338300000000 ] - [ 0.0028810700000000, 0.0000000000000000, 0.0101704800000000 ] - [ 0.0001361700000000, 0.0000000000000000, -0.0020659700000000 ] - [ -0.0000441700000000, 0.0000000000000000, -0.0021205300000000 ] - [ -0.0001666500000000, 0.0000000000000000, -0.0011581100000000 ] - [ -0.0036388500000000, 0.0000000000000000, 0.0070440500000000 ] - [ -0.0001430300000000, 0.0000000000000000, -0.0029085400000000 ] - [ -0.0007051200000000, 0.0001602200000000, 0.0019839100000000 ] - [ -0.0001653600000000, 0.0000000000000000, 0.0019782900000000 ] - [ 0.0006902100000000, -0.0001079600000000, 0.0006957000000000 ] - [ -0.0009785300000000, 0.0000000000000000, 0.0000661500000000 ] - [ 0.0000521700000000, -0.0002459700000000, 0.0011961400000000 ] - [ -0.0003333400000000, 0.0000000000000000, 0.0014845900000000 ] - [ -0.0015995900000000, 0.0000000000000000, 0.0017907900000000 ] - [ -0.0003887600000000, -0.0001121100000000, 0.0014750900000000 ] - [ -0.0006060800000000, 0.0000000000000000, 0.0013761600000000 ] - [ 0.0000521700000000, 0.0002459700000000, 0.0011961400000000 ] - [ -0.0002629400000000, 0.0000000000000000, 0.0015365400000000 ] - [ -0.0003887600000000, 0.0001121100000000, 0.0014750900000000 ] - [ -0.0000484100000000, 0.0000625500000000, 0.0016532000000000 ] - [ 0.0000867400000000, 0.0000000000000000, 0.0017368700000000 ] - [ 0.0000055700000000, 0.0000000000000000, 0.0020809200000000 ] - [ -0.0000484100000000, -0.0000625500000000, 0.0016532000000000 ] - [ 0.0002135500000000, 0.0000024900000000, 0.0017311800000000 ] - [ -0.0000907400000000, 0.0000000000000000, 0.0020133800000000 ] - [ -0.0002602600000000, 0.0000000000000000, 0.0014046600000000 ] - [ 0.0001974200000000, -0.0000016900000000, 0.0017132100000000 ] - [ -0.0011067000000000, -0.0004755700000000, 0.0023921500000000 ] - [ 0.0001944500000000, 0.0000000000000000, 0.0013432100000000 ] - [ 0.0002575200000000, 0.0000000000000000, 0.0019372900000000 ] - [ -0.0003063000000000, -0.0000752300000000, 0.0012395800000000 ] - [ 0.0028925700000000, 0.0000000000000000, -0.0008037400000000 ] - [ 0.0007655200000000, 0.0000091900000000, 0.0007861200000000 ] - [ -0.0003063000000000, 0.0000752300000000, 0.0012395800000000 ] - [ -0.0011202100000000, 0.0000000000000000, 0.0004548900000000 ] - [ 0.0011805200000000, -0.0003937400000000, -0.0086665700000000 ] - [ -0.0108409000000000, 0.0000000000000000, 0.0068514400000000 ] - [ -0.0019258300000000, 0.0000000000000000, 0.0014467400000000 ] - [ 0.0032566800000000, 0.0000000000000000, -0.0024694900000000 ] - [ -0.0010669900000000, 0.0009045300000000, -0.0024109500000000 ] - [ 0.0011805200000000, 0.0003937400000000, -0.0086665700000000 ] - [ 0.0007672100000000, 0.0000000000000000, -0.0036335100000000 ] - [ -0.0010669900000000, -0.0009045300000000, -0.0024109500000000 ] - [ 0.0048754100000000, 0.0000000000000000, -0.0032704800000000 ] - [ -0.0159564600000000, 0.0000000000000000, -0.2594774300000000 ] - [ -0.0014008600000000, 0.0015619400000000, -0.0026312100000000 ] - [ 0.0120294100000000, 0.0208582800000000, 0.0189018100000000 ] - [ 0.0006902100000000, 0.0001079600000000, 0.0006957000000000 ] - [ 0.0000129500000000, 0.0000000000000000, 0.0012734900000000 ] - [ -0.0007051200000000, -0.0001602200000000, 0.0019839100000000 ] - [ 0.0001540800000000, 0.0000000000000000, 0.0014566600000000 ] - [ 0.0001169300000000, -0.0002553000000000, 0.0013618100000000 ] - [ -0.0004518200000000, 0.0000000000000000, 0.0020989500000000 ] - [ 0.0013375700000000, 0.0000000000000000, 0.0047213400000000 ] - [ 0.0003787800000000, -0.0002497700000000, 0.0018978700000000 ] - [ -0.0005783700000000, 0.0000000000000000, 0.0014301800000000 ] - [ 0.0001169300000000, 0.0002553000000000, 0.0013618100000000 ] - [ -0.0000705100000000, 0.0000000000000000, 0.0015610100000000 ] - [ 0.0003787800000000, 0.0002497700000000, 0.0018978700000000 ] - [ -0.0000180700000000, 0.0000603000000000, 0.0017763900000000 ] - [ 0.0001213800000000, 0.0000000000000000, 0.0017953500000000 ] - [ 0.0001264600000000, 0.0000000000000000, 0.0021042600000000 ] - [ -0.0000180700000000, -0.0000603000000000, 0.0017763900000000 ] - [ 0.0001974200000000, 0.0000016900000000, 0.0017132100000000 ] - [ 0.0000136800000000, 0.0000000000000000, 0.0016505300000000 ] - [ -0.0001467900000000, 0.0000000000000000, 0.0013817200000000 ] - [ 0.0002135500000000, -0.0000024900000000, 0.0017311800000000 ] - [ 0.0007655200000000, -0.0000091900000000, 0.0007861200000000 ] - [ -0.0000380300000000, 0.0000000000000000, 0.0018425400000000 ] - [ 0.0001363100000000, 0.0000000000000000, 0.0019343200000000 ] - [ 0.0001792000000000, -0.0000911100000000, 0.0014307700000000 ] - [ -0.0025945700000000, 0.0000000000000000, -0.0010361300000000 ] - [ -0.0011067000000000, 0.0004755700000000, 0.0023921500000000 ] - [ 0.0001792000000000, 0.0000911100000000, 0.0014307700000000 ] - [ 0.0012777200000000, 0.0000000000000000, 0.0020773000000000 ] - [ 0.0027087800000000, -0.0018246300000000, -0.0090823300000000 ] - [ 0.0040185800000000, 0.0000000000000000, -0.0024829100000000 ] - [ 0.0022855800000000, 0.0000000000000000, 0.0041996000000000 ] - [ -0.0032892000000000, 0.0000000000000000, -0.0040287000000000 ] - [ 0.0051489300000000, -0.0084156800000000, 0.0091166300000000 ] - [ 0.0027087800000000, 0.0018246300000000, -0.0090823300000000 ] - [ -0.0009001200000000, 0.0000000000000000, -0.0132035300000000 ] - [ 0.0051489300000000, 0.0084156800000000, 0.0091166300000000 ] - [ -0.0239744800000000, 0.0000000000000000, 0.0155725900000000 ] - [ 0.0016511000000000, 0.0000000000000000, -0.0050451300000000 ] - [ 0.0120294100000000, -0.0208582800000000, 0.0189018100000000 ] - [ -0.0014008600000000, -0.0015619400000000, -0.0026312100000000 ]- atom: 94 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ -0.0021108000000000, 0.0000000000000000, 0.0014804600000000 ] - [ -0.0009350900000000, 0.0000000000000000, 0.0026005300000000 ] - [ -0.0001701300000000, 0.0004842900000000, 0.0036485200000000 ] - [ -0.0002477700000000, 0.0000000000000000, 0.0022876000000000 ] - [ -0.0001105800000000, -0.0003519900000000, 0.0016029500000000 ] - [ 0.0001429500000000, 0.0000224500000000, 0.0029089900000000 ] - [ -0.0000801600000000, 0.0000000000000000, 0.0027201700000000 ] - [ 0.0001429500000000, -0.0000224500000000, 0.0029089900000000 ] - [ -0.0006101600000000, 0.0000000000000000, 0.0027447800000000 ] - [ 0.0000792900000000, 0.0000000000000000, 0.0029907400000000 ] - [ 0.0000349300000000, 0.0000984000000000, 0.0022695600000000 ] - [ 0.0005864300000000, 0.0000000000000000, -0.0011189700000000 ] - [ 0.0002442700000000, 0.0000000000000000, 0.0025537800000000 ] - [ 0.0010530900000000, 0.0000000000000000, 0.0025154300000000 ] - [ 0.0000349300000000, -0.0000984000000000, 0.0022695600000000 ] - [ 0.0002403600000000, 0.0000000000000000, 0.0024588200000000 ] - [ -0.0033139000000000, 0.0029407900000000, 0.0016862700000000 ] - [ 0.0080838200000000, 0.0000000000000000, -0.0227463600000000 ] - [ -0.0083182100000000, 0.0071400600000000, -0.0245334200000000 ] - [ -0.0041301700000000, 0.0000000000000000, -0.0097835500000000 ] - [ -0.0033139000000000, -0.0029407900000000, 0.0016862700000000 ] - [ 0.0016202000000000, -0.0006127700000000, -0.0058035100000000 ] - [ -0.0029898900000000, 0.0000000000000000, -0.1407803300000000 ] - [ 0.0080143600000000, 0.0000000000000000, 0.0018283000000000 ] - [ 0.0023776800000000, 0.0000000000000000, 0.0009381100000000 ] - [ 0.0016891300000000, 0.0000000000000000, 0.0018181100000000 ] - [ -0.0001105800000000, 0.0003519900000000, 0.0016029500000000 ] - [ -0.0000844300000000, 0.0000000000000000, 0.0018964400000000 ] - [ -0.0001701300000000, -0.0004842900000000, 0.0036485200000000 ] - [ 0.0002383900000000, 0.0000308200000000, 0.0029911600000000 ] - [ 0.0001094200000000, 0.0000000000000000, 0.0030715600000000 ] - [ 0.0002383900000000, -0.0000308200000000, 0.0029911600000000 ] - [ 0.0002042800000000, 0.0000000000000000, 0.0026442200000000 ] - [ 0.0001047400000000, 0.0000000000000000, 0.0029121800000000 ] - [ 0.0003750200000000, 0.0000698900000000, 0.0020735700000000 ] - [ -0.0053117200000000, 0.0000000000000000, 0.0047669500000000 ] - [ 0.0002433700000000, 0.0000000000000000, 0.0025304600000000 ] - [ -0.0009630400000000, 0.0000000000000000, 0.0029632200000000 ] - [ 0.0003750200000000, -0.0000698900000000, 0.0020735700000000 ] - [ 0.0000838100000000, 0.0000000000000000, 0.0022500100000000 ] - [ 0.0060188300000000, 0.0007977300000000, 0.0020775500000000 ] - [ 0.0001302800000000, 0.0000000000000000, -0.0081383500000000 ] - [ 0.0016202000000000, 0.0006127700000000, -0.0058035100000000 ] - [ 0.0051450900000000, 0.0000000000000000, -0.0115816400000000 ] - [ 0.0060188300000000, -0.0007977300000000, 0.0020775500000000 ] - [ -0.0083182100000000, -0.0071400600000000, -0.0245334200000000 ] - [ 0.0015733000000000, 0.0000000000000000, -0.0053946800000000 ] - [ -0.0068159800000000, 0.0000000000000000, -0.0005954200000000 ] - [ -0.0001719400000000, 0.0000000000000000, 0.0016410800000000 ] - [ -0.0001940300000000, 0.0000000000000000, 0.0027848300000000 ] - [ -0.0026154100000000, 0.0000000000000000, -0.0092217800000000 ] - [ -0.0001597800000000, 0.0000000000000000, 0.0015500000000000 ] - [ -0.0001238000000000, 0.0000000000000000, 0.0017046600000000 ] - [ 0.0002254400000000, 0.0000000000000000, 0.0011933400000000 ] - [ 0.0039080000000000, 0.0000000000000000, -0.0060843500000000 ] - [ 0.0001230900000000, 0.0000000000000000, 0.0023995200000000 ] - [ 0.0006852100000000, -0.0000862300000000, -0.0017776200000000 ] - [ -0.0000396000000000, 0.0000000000000000, -0.0025079900000000 ] - [ -0.0007040600000000, 0.0000359300000000, -0.0004868000000000 ] - [ 0.0002966600000000, 0.0000000000000000, -0.0010979100000000 ] - [ -0.0003146600000000, 0.0000195300000000, -0.0018731700000000 ] - [ -0.0000558300000000, 0.0000000000000000, -0.0014719000000000 ] - [ 0.0011607500000000, 0.0000000000000000, -0.0019309000000000 ] - [ 0.0002200800000000, 0.0001272300000000, -0.0018125100000000 ] - [ -0.0002951700000000, 0.0000000000000000, -0.0021274100000000 ] - [ -0.0003146600000000, -0.0000195300000000, -0.0018731700000000 ] - [ 0.0001002800000000, 0.0000000000000000, -0.0020028400000000 ] - [ 0.0002200800000000, -0.0001272300000000, -0.0018125100000000 ] - [ -0.0000003500000000, 0.0000215200000000, -0.0017767500000000 ] - [ 0.0003079600000000, 0.0000000000000000, -0.0019111200000000 ] - [ 0.0005731200000000, 0.0000000000000000, -0.0018730500000000 ] - [ -0.0000003500000000, -0.0000215200000000, -0.0017767500000000 ] - [ -0.0003188100000000, -0.0003005100000000, -0.0016948000000000 ] - [ -0.0000125500000000, 0.0000000000000000, -0.0018969800000000 ] - [ -0.0001028600000000, 0.0000000000000000, -0.0020992700000000 ] - [ -0.0003029800000000, 0.0002999500000000, -0.0016769000000000 ] - [ 0.0010752700000000, 0.0003918900000000, -0.0021054300000000 ] - [ 0.0000690700000000, 0.0000000000000000, -0.0018351800000000 ] - [ 0.0000830000000000, 0.0000000000000000, -0.0023872100000000 ] - [ 0.0001311700000000, 0.0000125200000000, -0.0022643700000000 ] - [ -0.0027018400000000, 0.0000000000000000, 0.0011357000000000 ] - [ -0.0008145000000000, 0.0000791300000000, -0.0004827500000000 ] - [ 0.0001311700000000, -0.0000125200000000, -0.0022643700000000 ] - [ 0.0007413800000000, 0.0000000000000000, -0.0008515600000000 ] - [ -0.0012443300000000, 0.0007626300000000, 0.0090895300000000 ] - [ 0.0118090600000000, 0.0000000000000000, -0.0066500400000000 ] - [ 0.0020705000000000, 0.0000000000000000, -0.0017240200000000 ] - [ -0.0033421200000000, 0.0000000000000000, 0.0032025600000000 ] - [ 0.0010674900000000, -0.0005403400000000, 0.0033525400000000 ] - [ -0.0012443300000000, -0.0007626300000000, 0.0090895300000000 ] - [ -0.0006439900000000, 0.0000000000000000, 0.0047584900000000 ] - [ 0.0010674900000000, 0.0005403400000000, 0.0033525400000000 ] - [ -0.0047460500000000, 0.0000000000000000, 0.0039292000000000 ] - [ 0.0154855700000000, 0.0000000000000000, 0.2667561500000000 ] - [ 0.0012661400000000, -0.0013092500000000, 0.0035859000000000 ] - [ -0.0120171700000000, -0.0208101600000000, -0.0176825700000000 ] - [ -0.0007040600000000, -0.0000359300000000, -0.0004868000000000 ] - [ -0.0002157800000000, 0.0000000000000000, -0.0018041000000000 ] - [ 0.0006852100000000, 0.0000862300000000, -0.0017776200000000 ] - [ -0.0008378400000000, 0.0000000000000000, -0.0024840600000000 ] - [ -0.0003796100000000, 0.0000288400000000, -0.0020385300000000 ] - [ 0.0000600100000000, 0.0000000000000000, -0.0020853900000000 ] - [ -0.0017737400000000, 0.0000000000000000, -0.0048440800000000 ] - [ -0.0005464500000000, 0.0002641300000000, -0.0022329800000000 ] - [ -0.0003229700000000, 0.0000000000000000, -0.0021814500000000 ] - [ -0.0003796100000000, -0.0000288400000000, -0.0020385300000000 ] - [ -0.0000915800000000, 0.0000000000000000, -0.0020270900000000 ] - [ -0.0005464500000000, -0.0002641300000000, -0.0022329800000000 ] - [ -0.0000312200000000, 0.0000237700000000, -0.0019010500000000 ] - [ 0.0002737900000000, 0.0000000000000000, -0.0019690100000000 ] - [ 0.0004523900000000, 0.0000000000000000, -0.0018961400000000 ] - [ -0.0000312200000000, -0.0000237700000000, -0.0019010500000000 ] - [ -0.0003029800000000, -0.0002999500000000, -0.0016769000000000 ] - [ -0.0001177500000000, 0.0000000000000000, -0.0015305800000000 ] - [ -0.0002174300000000, 0.0000000000000000, -0.0020759200000000 ] - [ -0.0003188100000000, 0.0003005100000000, -0.0016948000000000 ] - [ -0.0008145000000000, -0.0000791300000000, -0.0004827500000000 ] - [ 0.0003035400000000, 0.0000000000000000, -0.0023394100000000 ] - [ 0.0002061200000000, 0.0000000000000000, -0.0023844600000000 ] - [ -0.0003589500000000, 0.0000282800000000, -0.0024571600000000 ] - [ 0.0028391400000000, 0.0000000000000000, 0.0013682300000000 ] - [ 0.0010752700000000, -0.0003918900000000, -0.0021054300000000 ] - [ -0.0003589500000000, -0.0000282800000000, -0.0024571600000000 ] - [ -0.0016792200000000, 0.0000000000000000, -0.0024899700000000 ] - [ -0.0025676000000000, 0.0020991200000000, 0.0095336900000000 ] - [ -0.0032388500000000, 0.0000000000000000, 0.0028158800000000 ] - [ -0.0021796800000000, 0.0000000000000000, -0.0045045900000000 ] - [ 0.0031993100000000, 0.0000000000000000, 0.0047495500000000 ] - [ -0.0052427300000000, 0.0089386200000000, -0.0083462500000000 ] - [ -0.0025676000000000, -0.0020991200000000, 0.0095336900000000 ] - [ 0.0010507800000000, 0.0000000000000000, 0.0143643500000000 ] - [ -0.0052427300000000, -0.0089386200000000, -0.0083462500000000 ] - [ 0.0238606900000000, 0.0000000000000000, -0.0147882800000000 ] - [ -0.0012422000000000, 0.0000000000000000, 0.0051446100000000 ] - [ -0.0120171700000000, 0.0208101600000000, -0.0176825700000000 ] - [ 0.0012661400000000, 0.0013092500000000, 0.0035859000000000 ]- atom: 95 displacement: [ 0.0099999998674334, 0.0000000000000000, 0.0000016282912931 ] forces: - [ -0.0024121300000000, -0.0017035900000000, -0.0072505200000000 ] - [ -0.0009893500000000, 0.0000554000000000, -0.0029582700000000 ] - [ -0.0027338400000000, -0.0000499000000000, 0.0001814300000000 ] - [ -0.0004649300000000, -0.0000295100000000, -0.0008216600000000 ] - [ 0.0044624800000000, 0.0001995800000000, -0.0011190400000000 ] - [ 0.0000647500000000, -0.0000067300000000, -0.0004234200000000 ] - [ 0.0006771400000000, -0.0000466300000000, -0.0006832300000000 ] - [ 0.0000660500000000, 0.0000066400000000, -0.0004186800000000 ] - [ -0.0004941400000000, 0.0000908300000000, -0.0010519100000000 ] - [ -0.0000220300000000, 0.0000006300000000, -0.0002630800000000 ] - [ 0.0000236700000000, -0.0000901800000000, -0.0006063000000000 ] - [ 0.0016698000000000, 0.0001435100000000, -0.0015854000000000 ] - [ 0.0002371900000000, -0.0000012500000000, -0.0003571500000000 ] - [ 0.0002736800000000, -0.0000030000000000, -0.0005106200000000 ] - [ 0.0000210200000000, 0.0000903400000000, -0.0006086900000000 ] - [ 0.0003262400000000, -0.0000006700000000, -0.0003366800000000 ] - [ -0.0010421700000000, -0.0000724000000000, -0.0009939900000000 ] - [ -0.0098966600000000, 0.0003017200000000, -0.0015926700000000 ] - [ -0.0123385000000000, -0.0008711100000000, 0.0048129200000000 ] - [ -0.0028100400000000, 0.0003714400000000, -0.0035384000000000 ] - [ -0.0009009100000000, 0.0000652300000000, -0.0009079100000000 ] - [ 0.0654492900000000, 0.0003672400000000, 0.0253315800000000 ] - [ -0.0023383000000000, 0.0004915500000000, 0.0019699300000000 ] - [ -0.0094961300000000, -0.0004715500000000, 0.0026990500000000 ] - [ -0.0021005500000000, -0.0019484100000000, 0.0083439600000000 ] - [ -0.0009394800000000, 0.0011932000000000, 0.0021376800000000 ] - [ 0.0054237600000000, -0.0000828300000000, -0.0008859500000000 ] - [ 0.0002084400000000, -0.0000060400000000, -0.0002574900000000 ] - [ -0.0030241900000000, 0.0000486500000000, 0.0000494200000000 ] - [ -0.0001118100000000, 0.0000055400000000, -0.0001198600000000 ] - [ -0.0007769100000000, 0.0001098800000000, 0.0002550500000000 ] - [ -0.0001262200000000, -0.0000050200000000, -0.0001356000000000 ] - [ 0.0001200500000000, -0.0001832200000000, 0.0008367400000000 ] - [ 0.0000006100000000, 0.0000001500000000, -0.0003464400000000 ] - [ 0.0001537100000000, -0.0000828100000000, -0.0006104600000000 ] - [ -0.0012387700000000, -0.0003010200000000, 0.0004379300000000 ] - [ 0.0003762600000000, -0.0000002800000000, -0.0003666000000000 ] - [ -0.0002655200000000, -0.0000260200000000, -0.0007408100000000 ] - [ 0.0001514800000000, 0.0000829800000000, -0.0006108600000000 ] - [ 0.0004193000000000, -0.0000017000000000, -0.0004708800000000 ] - [ 0.0009000600000000, 0.0001360600000000, 0.0008954800000000 ] - [ 0.0379001400000000, 0.0210476200000000, -0.0098595700000000 ] - [ 0.0039305900000000, -0.0002048300000000, -0.0009406900000000 ] - [ -0.0009771300000000, -0.0033401200000000, 0.0053825800000000 ] - [ 0.0006139700000000, -0.0001389900000000, 0.0004889600000000 ] - [ -0.0068877100000000, 0.0010074800000000, 0.0070774000000000 ] - [ 0.0029779300000000, -0.0009728800000000, -0.0038075900000000 ] - [ 0.0490164300000000, -0.0414587300000000, 0.0204827500000000 ] - [ -0.0000577700000000, -0.0000028800000000, -0.0004178700000000 ] - [ -0.0002269400000000, 0.0000260800000000, 0.0000056300000000 ] - [ -0.0036765300000000, 0.0000738600000000, -0.0005333500000000 ] - [ 0.0000171100000000, 0.0000034600000000, -0.0006610100000000 ] - [ -0.0000973300000000, -0.0000030600000000, -0.0003616600000000 ] - [ 0.0003264100000000, -0.0000084900000000, -0.0003411400000000 ] - [ 0.0070792500000000, 0.0028229800000000, 0.0045060400000000 ] - [ -0.0000347300000000, 0.0000038900000000, -0.0002627600000000 ] - [ 0.0018594700000000, 0.0004353300000000, 0.0021526300000000 ] - [ 0.0009611300000000, -0.0000062300000000, 0.0003528500000000 ] - [ -0.0017842800000000, 0.0004615000000000, -0.0021095500000000 ] - [ -0.0031779700000000, 0.0018110000000000, 0.0035922200000000 ] - [ -0.0003940700000000, -0.0001833700000000, -0.0001771200000000 ] - [ -0.0017721800000000, 0.0002444500000000, -0.0001499600000000 ] - [ -0.0035264900000000, -0.0028074400000000, 0.0048878400000000 ] - [ -0.0000529200000000, -0.0000366300000000, 0.0013188800000000 ] - [ -0.0005068700000000, -0.0000007900000000, -0.0001560600000000 ] - [ -0.0003663500000000, 0.0001813400000000, -0.0001711600000000 ] - [ -0.0000173400000000, 0.0000194500000000, 0.0002024600000000 ] - [ -0.0002590700000000, 0.0000200400000000, 0.0009455100000000 ] - [ -0.0000421200000000, 0.0000450900000000, 0.0001351900000000 ] - [ 0.0001432800000000, 0.0000004900000000, 0.0001383700000000 ] - [ 0.0002534600000000, -0.0000168000000000, 0.0005411500000000 ] - [ -0.0000427200000000, -0.0000447800000000, 0.0001363200000000 ] - [ -0.0000578600000000, -0.0001317000000000, 0.0001390100000000 ] - [ 0.0000089200000000, -0.0000018300000000, 0.0001982500000000 ] - [ -0.0001712700000000, -0.0000001100000000, -0.0001748000000000 ] - [ 0.0000017700000000, 0.0001384500000000, 0.0002282900000000 ] - [ 0.0005027000000000, -0.0000207800000000, 0.0002326800000000 ] - [ 0.0000516600000000, 0.0000012000000000, -0.0000455300000000 ] - [ 0.0001684900000000, 0.0000001400000000, -0.0000334600000000 ] - [ -0.0000267200000000, -0.0000327100000000, -0.0002479300000000 ] - [ -0.0014456200000000, -0.0003007800000000, -0.0002923900000000 ] - [ -0.0004874600000000, 0.0000455900000000, 0.0002860200000000 ] - [ -0.0000329600000000, 0.0000350700000000, -0.0002414500000000 ] - [ 0.0001159800000000, 0.0000442100000000, 0.0004247500000000 ] - [ 0.0033724000000000, 0.0000990300000000, 0.0024285700000000 ] - [ 0.0019685700000000, -0.0000372100000000, 0.0008091500000000 ] - [ 0.0002915500000000, -0.0000756900000000, 0.0006654500000000 ] - [ 0.0139723900000000, 0.0085768200000000, -0.0002389800000000 ] - [ 0.0003694800000000, 0.0002132300000000, 0.0032125800000000 ] - [ 0.0038965100000000, -0.0000049500000000, 0.0028068300000000 ] - [ 0.0010827400000000, 0.0076084700000000, 0.0119482200000000 ] - [ -0.0000244600000000, -0.0002219400000000, 0.0023483600000000 ] - [ 0.0150458000000000, -0.0087957200000000, -0.0000801900000000 ] - [ 0.0043060900000000, -0.0002395400000000, -0.0019104900000000 ] - [ -0.1992905000000000, 0.0222066600000000, -0.0458275300000000 ] - [ 0.0062568000000000, -0.0000063900000000, 0.0007157300000000 ] - [ 0.0000287900000000, -0.0008773100000000, -0.0061380700000000 ] - [ -0.0016106700000000, -0.0003267900000000, -0.0007647400000000 ] - [ 0.0021700100000000, -0.0003845300000000, 0.0022477500000000 ] - [ 0.0021019900000000, 0.0001032500000000, -0.0021484800000000 ] - [ 0.0001469000000000, -0.0000645400000000, -0.0002571400000000 ] - [ 0.0009032900000000, -0.0000082100000000, 0.0004501900000000 ] - [ 0.0019637000000000, -0.0000925800000000, -0.0014304400000000 ] - [ 0.0006505500000000, -0.0000996500000000, -0.0011183900000000 ] - [ -0.0004261300000000, -0.0000030600000000, -0.0002579000000000 ] - [ 0.0001221000000000, 0.0000799900000000, -0.0002011900000000 ] - [ -0.0001472800000000, -0.0000136400000000, -0.0002890100000000 ] - [ 0.0002617700000000, 0.0000062800000000, -0.0007205300000000 ] - [ -0.0000081900000000, 0.0000438400000000, 0.0000829700000000 ] - [ 0.0002280800000000, 0.0000019200000000, 0.0000438900000000 ] - [ 0.0002754100000000, 0.0000145100000000, 0.0000899600000000 ] - [ -0.0000079800000000, -0.0000435900000000, 0.0000837900000000 ] - [ 0.0000041500000000, -0.0001390900000000, 0.0002282100000000 ] - [ -0.0001133800000000, -0.0000002400000000, 0.0002668300000000 ] - [ -0.0001967300000000, 0.0000000800000000, -0.0001808400000000 ] - [ -0.0000570400000000, 0.0001319800000000, 0.0001399600000000 ] - [ -0.0005394400000000, -0.0000473600000000, 0.0002629400000000 ] - [ 0.0002072900000000, 0.0000040300000000, -0.0001010800000000 ] - [ 0.0001790300000000, 0.0000004300000000, 0.0000016400000000 ] - [ -0.0001397800000000, -0.0000307300000000, -0.0004192400000000 ] - [ 0.0013297600000000, 0.0000542600000000, 0.0006505300000000 ] - [ 0.0004167300000000, 0.0000504500000000, 0.0003328800000000 ] - [ -0.0001384400000000, 0.0000309400000000, -0.0004169000000000 ] - [ -0.0004398600000000, -0.0000383500000000, -0.0003979100000000 ] - [ 0.0087461500000000, 0.0036670600000000, -0.0183412800000000 ] - [ -0.0018180300000000, 0.0005396200000000, -0.0007005800000000 ] - [ -0.0000984300000000, 0.0000765400000000, -0.0004743200000000 ] - [ 0.0139504100000000, 0.0097007800000000, -0.0004691600000000 ] - [ 0.0011076500000000, 0.0001555900000000, -0.0017756000000000 ] - [ -0.0023470200000000, 0.0005703100000000, -0.0030127400000000 ] - [ 0.0037068100000000, 0.0009072600000000, -0.0008860500000000 ] - [ 0.0003669300000000, -0.0001062700000000, -0.0005629300000000 ] - [ 0.0160974300000000, -0.0123816600000000, -0.0031300800000000 ] - [ -0.0021868800000000, -0.0074679600000000, 0.0125429500000000 ] - [ 0.0085331700000000, -0.0000331200000000, 0.0008979900000000 ] - [ -0.0107789300000000, 0.0001653400000000, -0.0012549300000000 ]- atom: 95 displacement: [ -0.0099999998674334, 0.0000000000000000, -0.0000016282912931 ] forces: - [ 0.0027260700000000, 0.0016869600000000, 0.0077995800000000 ] - [ 0.0008960900000000, -0.0000510400000000, 0.0021793900000000 ] - [ 0.0028984100000000, 0.0001295700000000, -0.0002642800000000 ] - [ 0.0002393100000000, 0.0000297200000000, 0.0001067700000000 ] - [ -0.0043256400000000, -0.0002822000000000, 0.0010641800000000 ] - [ -0.0001021100000000, 0.0000160400000000, 0.0004381400000000 ] - [ -0.0008776500000000, 0.0000476900000000, 0.0008530900000000 ] - [ -0.0001035100000000, -0.0000155800000000, 0.0004332900000000 ] - [ 0.0003058700000000, -0.0000920800000000, 0.0011759100000000 ] - [ 0.0000166900000000, -0.0000004200000000, 0.0002155100000000 ] - [ 0.0001729900000000, -0.0000573200000000, -0.0001332600000000 ] - [ -0.0015756500000000, -0.0001428400000000, 0.0011632100000000 ] - [ 0.0003691200000000, 0.0000014200000000, 0.0001313300000000 ] - [ -0.0002159700000000, 0.0000030800000000, -0.0001486800000000 ] - [ 0.0001756400000000, 0.0000575400000000, -0.0001308100000000 ] - [ 0.0003834400000000, 0.0000008500000000, 0.0000069500000000 ] - [ 0.0011533500000000, 0.0001573900000000, 0.0010019500000000 ] - [ 0.0096709100000000, -0.0003057400000000, 0.0022166100000000 ] - [ 0.0121143700000000, 0.0011017000000000, -0.0038171100000000 ] - [ 0.0031915900000000, -0.0003639500000000, 0.0046310800000000 ] - [ 0.0010124900000000, -0.0001498500000000, 0.0009162000000000 ] - [ -0.0703614700000000, -0.0005640300000000, -0.0271636900000000 ] - [ 0.0027366200000000, -0.0004903200000000, -0.0012011400000000 ] - [ 0.0095788300000000, 0.0004801400000000, -0.0029718000000000 ] - [ 0.0023794600000000, 0.0019541900000000, -0.0078065200000000 ] - [ 0.0008057800000000, -0.0011928600000000, -0.0029220900000000 ] - [ -0.0052823000000000, 0.0001657200000000, 0.0008427700000000 ] - [ -0.0004389200000000, 0.0000061200000000, -0.0004536600000000 ] - [ 0.0031875600000000, -0.0001278800000000, -0.0001324300000000 ] - [ 0.0000737400000000, 0.0000036500000000, 0.0001326200000000 ] - [ 0.0005788500000000, -0.0001095100000000, -0.0000935900000000 ] - [ 0.0000880900000000, -0.0000038100000000, 0.0001483500000000 ] - [ -0.0003224300000000, 0.0001834600000000, -0.0007175100000000 ] - [ -0.0000055900000000, 0.0000000200000000, 0.0002991900000000 ] - [ 0.0000432900000000, -0.0000647800000000, -0.0001293700000000 ] - [ 0.0013331200000000, 0.0003007600000000, -0.0008534900000000 ] - [ 0.0002289500000000, 0.0000004600000000, 0.0001410200000000 ] - [ 0.0003213600000000, 0.0000263100000000, 0.0000826200000000 ] - [ 0.0000454500000000, 0.0000649900000000, -0.0001289900000000 ] - [ 0.0002896900000000, 0.0000019600000000, 0.0001412300000000 ] - [ -0.0007786400000000, -0.0000510900000000, -0.0008892100000000 ] - [ -0.0380617700000000, -0.0201809800000000, 0.0099215700000000 ] - [ -0.0042572000000000, 0.0004407400000000, 0.0019339400000000 ] - [ 0.0014066700000000, 0.0033479600000000, -0.0042995000000000 ] - [ -0.0004928900000000, 0.0000544400000000, -0.0004835100000000 ] - [ 0.0066860300000000, -0.0012419300000000, -0.0060896100000000 ] - [ -0.0025808800000000, 0.0009721600000000, 0.0045320800000000 ] - [ -0.0488677700000000, 0.0401832900000000, -0.0200735600000000 ] - [ -0.0001100400000000, -0.0000029700000000, -0.0000066100000000 ] - [ 0.0002853300000000, -0.0000327100000000, 0.0000289600000000 ] - [ 0.0039394100000000, -0.0000822400000000, 0.0015730900000000 ] - [ -0.0000388600000000, 0.0000035500000000, 0.0001391200000000 ] - [ -0.0000701100000000, -0.0000027800000000, -0.0000637100000000 ] - [ -0.0002685600000000, 0.0000018000000000, 0.0003741400000000 ] - [ -0.0067805200000000, -0.0028537900000000, -0.0035331100000000 ] - [ 0.0000137600000000, 0.0000031900000000, -0.0002586000000000 ] - [ -0.0018855900000000, -0.0003578600000000, -0.0019247200000000 ] - [ -0.0011682100000000, 0.0000060100000000, -0.0008680100000000 ] - [ 0.0017869200000000, -0.0005376800000000, 0.0023334500000000 ] - [ 0.0024711400000000, -0.0018173600000000, -0.0046342900000000 ] - [ 0.0001343000000000, -0.0000429600000000, -0.0004934100000000 ] - [ 0.0013909500000000, -0.0002449000000000, 0.0001694500000000 ] - [ 0.0030492100000000, 0.0028221400000000, -0.0050601800000000 ] - [ -0.0001229700000000, 0.0000553500000000, -0.0016586100000000 ] - [ -0.0003936400000000, 0.0000008900000000, -0.0005893300000000 ] - [ 0.0001064000000000, 0.0000454100000000, -0.0004990300000000 ] - [ -0.0001490500000000, -0.0000190900000000, -0.0006603100000000 ] - [ 0.0000844100000000, -0.0000377500000000, -0.0012808600000000 ] - [ -0.0000061800000000, 0.0000395400000000, -0.0002513500000000 ] - [ 0.0002518000000000, -0.0000003800000000, -0.0003054200000000 ] - [ 0.0003235100000000, 0.0000172100000000, -0.0003255700000000 ] - [ -0.0000056200000000, -0.0000395400000000, -0.0002521800000000 ] - [ -0.0000461000000000, -0.0001660800000000, -0.0000959800000000 ] - [ -0.0001124500000000, 0.0000019600000000, -0.0000717800000000 ] - [ -0.0001928600000000, 0.0000002800000000, -0.0005115400000000 ] - [ -0.0001065000000000, 0.0001594600000000, -0.0001856700000000 ] - [ -0.0005433100000000, -0.0000658300000000, 0.0000681800000000 ] - [ 0.0002142800000000, -0.0000010900000000, -0.0004395100000000 ] - [ 0.0001731000000000, -0.0000000800000000, -0.0004060800000000 ] - [ -0.0001512300000000, -0.0000285400000000, -0.0007684800000000 ] - [ 0.0016614700000000, 0.0003011000000000, 0.0006057500000000 ] - [ 0.0004451200000000, 0.0000418700000000, 0.0000172100000000 ] - [ -0.0001446000000000, 0.0000263900000000, -0.0007744800000000 ] - [ -0.0005017800000000, -0.0000441900000000, -0.0008208600000000 ] - [ -0.0033097400000000, 0.0002286000000000, -0.0020531600000000 ] - [ -0.0011509200000000, 0.0000366100000000, -0.0005244600000000 ] - [ -0.0001609200000000, 0.0000759500000000, -0.0009346300000000 ] - [ -0.0142510400000000, -0.0087309500000000, 0.0009827500000000 ] - [ -0.0003761900000000, 0.0001585700000000, -0.0022965400000000 ] - [ -0.0038517900000000, -0.0003253000000000, -0.0024327200000000 ] - [ -0.0008543300000000, -0.0076232900000000, -0.0108493000000000 ] - [ 0.0000191700000000, -0.0001494300000000, -0.0014324100000000 ] - [ -0.0151050100000000, 0.0089457400000000, 0.0007365600000000 ] - [ -0.0039063200000000, 0.0002420900000000, 0.0019725200000000 ] - [ 0.2035747100000000, -0.0215429400000000, 0.0497108400000000 ] - [ -0.0064030400000000, -0.0002432500000000, 0.0002453900000000 ] - [ -0.0000276600000000, 0.0009565500000000, 0.0063922700000000 ] - [ 0.0014135400000000, 0.0003279100000000, 0.0002437500000000 ] - [ -0.0021921600000000, 0.0003080900000000, -0.0020202600000000 ] - [ -0.0027905400000000, -0.0001023600000000, 0.0011395100000000 ] - [ -0.0004076400000000, -0.0001622300000000, -0.0004106800000000 ] - [ -0.0012953800000000, 0.0000087800000000, -0.0004241200000000 ] - [ -0.0024039300000000, 0.0000922300000000, 0.0013160900000000 ] - [ -0.0008172700000000, 0.0001155900000000, 0.0007940700000000 ] - [ -0.0004744100000000, 0.0000032600000000, -0.0004866500000000 ] - [ -0.0003827200000000, 0.0001472000000000, -0.0004666200000000 ] - [ -0.0000157600000000, 0.0000138800000000, -0.0001672200000000 ] - [ -0.0004280100000000, -0.0000219300000000, 0.0003959300000000 ] - [ -0.0000403700000000, 0.0000408000000000, -0.0001990100000000 ] - [ 0.0001668800000000, -0.0000017600000000, -0.0002098700000000 ] - [ 0.0003031600000000, -0.0000143700000000, 0.0001273900000000 ] - [ -0.0000404400000000, -0.0000407500000000, -0.0001996200000000 ] - [ -0.0001088500000000, -0.0001585300000000, -0.0001855500000000 ] - [ 0.0000099800000000, 0.0000005300000000, -0.0001401300000000 ] - [ -0.0001675200000000, 0.0000001600000000, -0.0005054000000000 ] - [ -0.0000470700000000, 0.0001660600000000, -0.0000969500000000 ] - [ 0.0004974700000000, -0.0000398000000000, 0.0000401300000000 ] - [ 0.0000587400000000, -0.0000037600000000, -0.0003844400000000 ] - [ 0.0001624100000000, -0.0000000700000000, -0.0004405700000000 ] - [ -0.0000390600000000, -0.0000305300000000, -0.0005969100000000 ] - [ -0.0011090100000000, -0.0000536400000000, -0.0003441000000000 ] - [ -0.0004582000000000, 0.0000369600000000, -0.0000327000000000 ] - [ -0.0000395300000000, 0.0000306100000000, -0.0005992400000000 ] - [ 0.0000513800000000, 0.0000383800000000, 0.0000011800000000 ] - [ -0.0086952400000000, -0.0033323100000000, 0.0185952800000000 ] - [ 0.0026267500000000, -0.0005390500000000, 0.0009935000000000 ] - [ 0.0002252100000000, -0.0000762100000000, 0.0002034800000000 ] - [ -0.0138693300000000, -0.0095504400000000, 0.0012080100000000 ] - [ -0.0011203400000000, 0.0002173300000000, 0.0026809700000000 ] - [ 0.0023606600000000, -0.0008990800000000, 0.0034133000000000 ] - [ -0.0035858800000000, -0.0009116500000000, 0.0019782500000000 ] - [ -0.0003820500000000, -0.0002666800000000, 0.0014714700000000 ] - [ -0.0158014500000000, 0.0122038500000000, 0.0037874400000000 ] - [ 0.0026692500000000, 0.0074715000000000, -0.0124592500000000 ] - [ -0.0086782700000000, 0.0002833200000000, 0.0000610600000000 ] - [ 0.0106557200000000, -0.0004087000000000, 0.0022269000000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010712400000000, -0.0001060500000000, -0.0032684900000000 ] - [ 0.0026320500000000, 0.0001337400000000, 0.0009049400000000 ] - [ 0.0000805500000000, -0.0002266800000000, -0.0001488300000000 ] - [ -0.0000480800000000, -0.0000040900000000, -0.0000771400000000 ] - [ -0.0004905700000000, -0.0030986400000000, 0.0007100400000000 ] - [ 0.0000400800000000, 0.0000291300000000, 0.0005307900000000 ] - [ 0.0000331800000000, 0.0000295500000000, 0.0007961000000000 ] - [ 0.0000341700000000, -0.0000280000000000, 0.0005253400000000 ] - [ 0.0001176200000000, -0.0000501200000000, 0.0001813000000000 ] - [ 0.0000040100000000, 0.0000007600000000, 0.0004619700000000 ] - [ 0.0001125200000000, -0.0000503300000000, 0.0000433000000000 ] - [ -0.0001550500000000, -0.0000570600000000, 0.0000351900000000 ] - [ 0.0003093600000000, -0.0000009000000000, 0.0003174400000000 ] - [ -0.0000117900000000, -0.0000059100000000, 0.0002218100000000 ] - [ 0.0001113000000000, 0.0000503600000000, 0.0000421800000000 ] - [ 0.0003164100000000, -0.0000001000000000, 0.0002507400000000 ] - [ 0.0003295900000000, 0.0001044000000000, 0.0003109900000000 ] - [ -0.0019900200000000, 0.0001990800000000, -0.0023525300000000 ] - [ -0.0007077900000000, 0.0049809800000000, -0.0015712700000000 ] - [ -0.0017708400000000, 0.0002692600000000, -0.0014613500000000 ] - [ 0.0002603300000000, -0.0000818900000000, 0.0002693200000000 ] - [ 0.0029081100000000, 0.0202640800000000, -0.0027141500000000 ] - [ -0.0001888100000000, 0.0001654800000000, 0.0000502800000000 ] - [ 0.0019911500000000, 0.0002532400000000, -0.0022397100000000 ] - [ -0.0022922200000000, -0.0005889200000000, 0.0028887300000000 ] - [ -0.0005787200000000, 0.0003136200000000, -0.0004832500000000 ] - [ -0.0001134300000000, 0.0031264300000000, 0.0011975500000000 ] - [ -0.0002384000000000, -0.0000089300000000, -0.0000031500000000 ] - [ 0.0000427200000000, 0.0002266200000000, -0.0001660500000000 ] - [ -0.0000118900000000, 0.0000274000000000, 0.0004623300000000 ] - [ -0.0001286900000000, 0.0000291100000000, 0.0004003200000000 ] - [ -0.0000163200000000, -0.0000248700000000, 0.0004586000000000 ] - [ -0.0004640900000000, -0.0000439400000000, 0.0004675500000000 ] - [ 0.0000226700000000, 0.0000009400000000, 0.0004771800000000 ] - [ 0.0001161400000000, -0.0000468700000000, 0.0000588200000000 ] - [ -0.0001210400000000, -0.0000966800000000, 0.0000962100000000 ] - [ 0.0002747600000000, -0.0000007300000000, 0.0003310400000000 ] - [ 0.0000385500000000, -0.0000094300000000, 0.0001576800000000 ] - [ 0.0001151200000000, 0.0000461600000000, 0.0000581900000000 ] - [ 0.0003339600000000, -0.0000004900000000, 0.0002503900000000 ] - [ -0.0000278200000000, 0.0004241000000000, 0.0006090200000000 ] - [ 0.0220003300000000, 0.0478515200000000, -0.0280166900000000 ] - [ -0.0007128600000000, -0.0113673500000000, -0.0024060500000000 ] - [ -0.0008341700000000, -0.0010354900000000, 0.0011713300000000 ] - [ -0.0001318200000000, -0.0004206800000000, 0.0004811500000000 ] - [ 0.0001639800000000, -0.0050679400000000, -0.0009607900000000 ] - [ 0.0000817100000000, 0.0006122700000000, 0.0052511500000000 ] - [ -0.0417778800000000, 0.0860878700000000, -0.0371883100000000 ] - [ -0.0000940600000000, -0.0000027400000000, 0.0001052200000000 ] - [ 0.0000098600000000, 0.0000056800000000, 0.0003131200000000 ] - [ 0.0007994300000000, -0.0000022600000000, 0.0006329000000000 ] - [ 0.0000003300000000, 0.0000054700000000, 0.0000889200000000 ] - [ -0.0000955800000000, -0.0000027300000000, 0.0000920400000000 ] - [ 0.0000724000000000, 0.0000012300000000, 0.0003686300000000 ] - [ 0.0024341800000000, -0.0002026300000000, -0.0047497500000000 ] - [ -0.0000222900000000, 0.0000045200000000, 0.0000938900000000 ] - [ -0.0003466500000000, 0.0009533700000000, 0.0005375900000000 ] - [ -0.0001242400000000, 0.0000046800000000, -0.0003287100000000 ] - [ 0.0004756700000000, 0.0010409700000000, -0.0000846500000000 ] - [ 0.0000614700000000, 0.0011186000000000, 0.0032373600000000 ] - [ -0.0001504400000000, -0.0000632300000000, -0.0006625100000000 ] - [ 0.0003559300000000, 0.0000175900000000, -0.0007572300000000 ] - [ -0.0030135600000000, 0.0024857200000000, -0.0073062400000000 ] - [ -0.0004895700000000, 0.0010441000000000, -0.0008852000000000 ] - [ -0.0004334900000000, -0.0000008900000000, -0.0006782100000000 ] - [ -0.0001560300000000, 0.0000641900000000, -0.0006470200000000 ] - [ -0.0001220200000000, -0.0000035300000000, -0.0005161700000000 ] - [ -0.0004103900000000, -0.0007958000000000, -0.0007287800000000 ] - [ -0.0000274800000000, 0.0000393400000000, -0.0003569400000000 ] - [ 0.0002111200000000, 0.0000005000000000, -0.0004062400000000 ] - [ 0.0002765600000000, 0.0000120600000000, -0.0002721000000000 ] - [ -0.0000277900000000, -0.0000391100000000, -0.0003562100000000 ] - [ -0.0000819800000000, -0.0001734700000000, -0.0002551400000000 ] - [ -0.0000490200000000, -0.0000004700000000, -0.0002241000000000 ] - [ -0.0001758900000000, -0.0000000500000000, -0.0006273800000000 ] - [ -0.0001095800000000, 0.0001686700000000, -0.0002646200000000 ] - [ 0.0000190300000000, -0.0000445500000000, -0.0001043800000000 ] - [ 0.0001336300000000, 0.0000009700000000, -0.0005639400000000 ] - [ 0.0001649900000000, 0.0000003300000000, -0.0005797600000000 ] - [ -0.0000958400000000, -0.0000216900000000, -0.0008075100000000 ] - [ -0.0000978700000000, -0.0000684200000000, 0.0001795600000000 ] - [ -0.0000236600000000, -0.0000062200000000, -0.0001779900000000 ] - [ -0.0000968500000000, 0.0000233800000000, -0.0008030000000000 ] - [ -0.0002153400000000, 0.0000019500000000, -0.0004266700000000 ] - [ 0.0002499800000000, 0.0021078400000000, 0.0008516500000000 ] - [ 0.0002818500000000, -0.0000024000000000, 0.0002611100000000 ] - [ -0.0000855900000000, 0.0000366800000000, -0.0005540900000000 ] - [ 0.0098211500000000, 0.0035061300000000, 0.0018973500000000 ] - [ -0.0004334500000000, 0.0018034200000000, -0.0000123100000000 ] - [ 0.0000805800000000, -0.0018513900000000, 0.0008243800000000 ] - [ 0.0071191800000000, 0.0050284800000000, 0.0137149500000000 ] - [ -0.0002956800000000, -0.0013204400000000, 0.0002071300000000 ] - [ -0.0104349700000000, 0.0038564600000000, 0.0019933300000000 ] - [ -0.0000049600000000, -0.0001853300000000, 0.0015160400000000 ] - [ 0.0191209600000000, -0.2186178700000000, 0.0807917700000000 ] - [ -0.0001845300000000, -0.0015199500000000, 0.0008775600000000 ] - [ 0.0009303300000000, -0.0020745900000000, -0.0007624000000000 ] - [ -0.0004180900000000, -0.0000863400000000, -0.0003671500000000 ] - [ -0.0003225700000000, -0.0008883000000000, 0.0004924300000000 ] - [ 0.0000602400000000, 0.0000197200000000, -0.0007769300000000 ] - [ -0.0001474900000000, -0.0000993300000000, -0.0005474700000000 ] - [ -0.0003204900000000, -0.0000030900000000, -0.0000064900000000 ] - [ -0.0003004900000000, -0.0000469300000000, 0.0008138500000000 ] - [ 0.0001642400000000, -0.0000729000000000, -0.0003801200000000 ] - [ -0.0004254800000000, -0.0000005800000000, -0.0006410200000000 ] - [ -0.0001558700000000, 0.0001034300000000, -0.0005336300000000 ] - [ -0.0000346700000000, -0.0000027800000000, -0.0004696400000000 ] - [ 0.0000694000000000, 0.0000627500000000, -0.0002769900000000 ] - [ -0.0000186100000000, 0.0000392200000000, -0.0003469100000000 ] - [ 0.0002202700000000, 0.0000005500000000, -0.0003769100000000 ] - [ 0.0003890800000000, 0.0000038000000000, -0.0002353200000000 ] - [ -0.0000187600000000, -0.0000389200000000, -0.0003463000000000 ] - [ -0.0001095700000000, -0.0001681800000000, -0.0002661000000000 ] - [ -0.0000614900000000, -0.0000001800000000, -0.0002408800000000 ] - [ -0.0001809800000000, 0.0000000000000000, -0.0006323000000000 ] - [ -0.0000823600000000, 0.0001735300000000, -0.0002541600000000 ] - [ -0.0000195700000000, 0.0000083600000000, -0.0002004600000000 ] - [ 0.0001445700000000, 0.0000014500000000, -0.0005367500000000 ] - [ 0.0001683400000000, 0.0000004700000000, -0.0005733500000000 ] - [ -0.0000835100000000, -0.0000233700000000, -0.0008198500000000 ] - [ 0.0000659700000000, 0.0000097900000000, 0.0000400400000000 ] - [ -0.0000082400000000, 0.0000541900000000, -0.0000748100000000 ] - [ -0.0000834400000000, 0.0000243500000000, -0.0008169800000000 ] - [ -0.0001888700000000, -0.0000106000000000, -0.0004414800000000 ] - [ 0.0040706700000000, -0.0039719500000000, -0.0026559700000000 ] - [ 0.0011735400000000, 0.0000516900000000, -0.0008806800000000 ] - [ 0.0002134000000000, 0.0000265800000000, -0.0005252000000000 ] - [ 0.0084287800000000, 0.0037334800000000, 0.0014467400000000 ] - [ 0.0004261700000000, 0.0000968300000000, 0.0000120500000000 ] - [ 0.0008904400000000, 0.0020187000000000, 0.0006158000000000 ] - [ 0.0007442400000000, 0.0002637000000000, 0.0004426800000000 ] - [ 0.0001889700000000, -0.0000542000000000, 0.0003933400000000 ] - [ -0.0097815600000000, 0.0035851500000000, 0.0026554800000000 ] - [ -0.0073760500000000, 0.0108420800000000, -0.0200325000000000 ] - [ -0.0002238700000000, 0.0019961000000000, 0.0008411600000000 ] - [ -0.0003629100000000, 0.0432151600000000, 0.0054063400000000 ]- atom: 95 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013480200000000, 0.0001065600000000, 0.0038477900000000 ] - [ -0.0027668200000000, -0.0001312100000000, -0.0016912200000000 ] - [ 0.0000741600000000, 0.0003054900000000, 0.0000770800000000 ] - [ -0.0001825000000000, 0.0000040300000000, -0.0006374000000000 ] - [ 0.0006534500000000, 0.0030263700000000, -0.0008013200000000 ] - [ -0.0000778000000000, -0.0000206400000000, -0.0005196000000000 ] - [ -0.0002300100000000, -0.0000283400000000, -0.0006358700000000 ] - [ -0.0000721200000000, 0.0000198900000000, -0.0005142900000000 ] - [ -0.0003170800000000, 0.0000489400000000, -0.0000641800000000 ] - [ -0.0000097500000000, -0.0000005700000000, -0.0005110200000000 ] - [ 0.0000838800000000, -0.0000973800000000, -0.0007855500000000 ] - [ 0.0002457600000000, 0.0000579000000000, -0.0004552600000000 ] - [ 0.0002963800000000, 0.0000010500000000, -0.0005443800000000 ] - [ 0.0000680100000000, 0.0000061400000000, -0.0008838000000000 ] - [ 0.0000851500000000, 0.0000977400000000, -0.0007843300000000 ] - [ 0.0003927400000000, 0.0000002800000000, -0.0005829400000000 ] - [ -0.0002121700000000, -0.0000196300000000, -0.0003060700000000 ] - [ 0.0017333800000000, -0.0001953400000000, 0.0029481600000000 ] - [ 0.0005030700000000, -0.0047538800000000, 0.0025609900000000 ] - [ 0.0021678500000000, -0.0002654700000000, 0.0025332400000000 ] - [ -0.0001420000000000, -0.0000024100000000, -0.0002642700000000 ] - [ -0.0027419700000000, -0.0204385600000000, 0.0038546700000000 ] - [ 0.0005848400000000, -0.0001709000000000, 0.0007104600000000 ] - [ -0.0019453400000000, -0.0002559400000000, 0.0019972900000000 ] - [ 0.0026007400000000, 0.0005647400000000, -0.0022957600000000 ] - [ 0.0004538800000000, -0.0002970400000000, -0.0002904800000000 ] - [ 0.0002952500000000, -0.0030554800000000, -0.0012637700000000 ] - [ 0.0000102200000000, 0.0000088500000000, -0.0007106200000000 ] - [ 0.0001092000000000, -0.0003051500000000, 0.0000930800000000 ] - [ -0.0000259300000000, -0.0000188000000000, -0.0004501000000000 ] - [ -0.0000711300000000, -0.0000272500000000, -0.0002364600000000 ] - [ -0.0000217800000000, 0.0000166700000000, -0.0004465500000000 ] - [ 0.0002684300000000, 0.0000413800000000, -0.0003454100000000 ] - [ -0.0000285700000000, -0.0000007600000000, -0.0005264300000000 ] - [ 0.0000801900000000, -0.0001007000000000, -0.0008012400000000 ] - [ 0.0002152600000000, 0.0000999900000000, -0.0005171400000000 ] - [ 0.0003314700000000, 0.0000009000000000, -0.0005581800000000 ] - [ 0.0000181600000000, 0.0000100700000000, -0.0008196400000000 ] - [ 0.0000811000000000, 0.0001019800000000, -0.0008004900000000 ] - [ 0.0003752400000000, 0.0000007400000000, -0.0005824400000000 ] - [ 0.0001423400000000, -0.0003386200000000, -0.0006075700000000 ] - [ -0.0202797400000000, -0.0449607900000000, 0.0265792100000000 ] - [ 0.0006054500000000, 0.0115828300000000, 0.0034253600000000 ] - [ 0.0012493400000000, 0.0010737100000000, -0.0000858500000000 ] - [ 0.0002497400000000, 0.0003355900000000, -0.0004754100000000 ] - [ -0.0004068600000000, 0.0048370800000000, 0.0019209400000000 ] - [ 0.0003065000000000, -0.0006102800000000, -0.0045011100000000 ] - [ 0.0448987900000000, -0.0903008200000000, 0.0394969100000000 ] - [ -0.0000741200000000, -0.0000031800000000, -0.0005302800000000 ] - [ 0.0000479800000000, -0.0000126400000000, -0.0002816200000000 ] - [ -0.0005356800000000, -0.0000038300000000, 0.0003915600000000 ] - [ -0.0000221300000000, 0.0000015100000000, -0.0006125500000000 ] - [ -0.0000725600000000, -0.0000030300000000, -0.0005173400000000 ] - [ -0.0000150500000000, -0.0000079800000000, -0.0003367900000000 ] - [ -0.0021592800000000, 0.0001453100000000, 0.0057946900000000 ] - [ 0.0000006700000000, 0.0000025800000000, -0.0006177500000000 ] - [ 0.0003374200000000, -0.0008795300000000, -0.0003193000000000 ] - [ -0.0000770500000000, -0.0000044700000000, -0.0001921500000000 ] - [ -0.0005033400000000, -0.0011197500000000, 0.0003079900000000 ] - [ -0.0007468800000000, -0.0011306700000000, -0.0042364100000000 ] - [ -0.0001101200000000, -0.0001629500000000, -0.0000058100000000 ] - [ -0.0007508400000000, -0.0000149400000000, 0.0007792400000000 ] - [ 0.0025948200000000, -0.0024673400000000, 0.0072357200000000 ] - [ 0.0003204300000000, -0.0010292000000000, 0.0005597500000000 ] - [ -0.0004680500000000, 0.0000009600000000, -0.0000633000000000 ] - [ -0.0001045300000000, 0.0001624200000000, -0.0000206600000000 ] - [ -0.0000425600000000, 0.0000039100000000, 0.0000603600000000 ] - [ 0.0002429100000000, 0.0007820500000000, 0.0004065700000000 ] - [ -0.0000212400000000, 0.0000455500000000, 0.0002443500000000 ] - [ 0.0001829500000000, -0.0000003600000000, 0.0002439900000000 ] - [ 0.0003006800000000, -0.0000116500000000, 0.0004930100000000 ] - [ -0.0000209200000000, -0.0000455200000000, 0.0002439100000000 ] - [ -0.0000230100000000, -0.0001234500000000, 0.0003017400000000 ] - [ -0.0000549200000000, 0.0000006200000000, 0.0003537600000000 ] - [ -0.0001889000000000, -0.0000001500000000, -0.0000551900000000 ] - [ 0.0000048000000000, 0.0001285000000000, 0.0003114000000000 ] - [ -0.0000611600000000, -0.0000418300000000, 0.0004096300000000 ] - [ 0.0001323500000000, -0.0000008600000000, 0.0000806300000000 ] - [ 0.0001764000000000, -0.0000002500000000, 0.0001428500000000 ] - [ -0.0000830200000000, -0.0000392900000000, -0.0002066900000000 ] - [ 0.0003164000000000, 0.0000714900000000, 0.0001342500000000 ] - [ -0.0000179100000000, 0.0000928900000000, 0.0004821900000000 ] - [ -0.0000815800000000, 0.0000377500000000, -0.0002108900000000 ] - [ -0.0001734300000000, -0.0000019100000000, 0.0000319900000000 ] - [ -0.0001996900000000, -0.0017783500000000, -0.0004464200000000 ] - [ 0.0005319900000000, 0.0000031100000000, 0.0000320800000000 ] - [ 0.0002129800000000, -0.0000363200000000, 0.0002839800000000 ] - [ -0.0099686400000000, -0.0034699200000000, -0.0011700200000000 ] - [ 0.0004208500000000, -0.0014223900000000, 0.0009207800000000 ] - [ -0.0000291600000000, 0.0015239800000000, -0.0004162300000000 ] - [ -0.0070082600000000, -0.0049530300000000, -0.0126544000000000 ] - [ 0.0002833500000000, 0.0009432600000000, 0.0007012300000000 ] - [ 0.0104950200000000, -0.0038921300000000, -0.0013125700000000 ] - [ 0.0004112800000000, 0.0001895400000000, -0.0014461900000000 ] - [ -0.0246202300000000, 0.2201839600000000, -0.0804513000000000 ] - [ 0.0000526000000000, 0.0012715800000000, 0.0000811100000000 ] - [ -0.0009323900000000, 0.0021528600000000, 0.0009398300000000 ] - [ 0.0002100100000000, 0.0000828500000000, -0.0001555700000000 ] - [ 0.0003137600000000, 0.0008145600000000, -0.0002735700000000 ] - [ -0.0007416600000000, -0.0000175300000000, -0.0002487100000000 ] - [ -0.0001116100000000, -0.0001263000000000, -0.0001215700000000 ] - [ -0.0000658200000000, 0.0000031000000000, 0.0000274700000000 ] - [ -0.0001355900000000, 0.0000456100000000, -0.0009461400000000 ] - [ -0.0003295100000000, 0.0000881400000000, 0.0000456500000000 ] - [ -0.0004759700000000, 0.0000007700000000, -0.0001008200000000 ] - [ -0.0001034900000000, 0.0001228200000000, -0.0001346700000000 ] - [ -0.0001305900000000, 0.0000028200000000, 0.0000121000000000 ] - [ -0.0002401400000000, -0.0000790100000000, -0.0000518700000000 ] - [ -0.0000303000000000, 0.0000457700000000, 0.0002343200000000 ] - [ 0.0001739600000000, -0.0000003600000000, 0.0002145900000000 ] - [ 0.0001877000000000, -0.0000034500000000, 0.0004549800000000 ] - [ -0.0000300500000000, -0.0000457000000000, 0.0002339400000000 ] - [ 0.0000048200000000, -0.0001287000000000, 0.0003129200000000 ] - [ -0.0000423400000000, 0.0000004900000000, 0.0003704100000000 ] - [ -0.0001836300000000, 0.0000002500000000, -0.0000504100000000 ] - [ -0.0000227700000000, 0.0001236500000000, 0.0003007300000000 ] - [ -0.0000214200000000, -0.0000948800000000, 0.0005050300000000 ] - [ 0.0001213500000000, -0.0000012200000000, 0.0000536000000000 ] - [ 0.0001728700000000, -0.0000002400000000, 0.0001368800000000 ] - [ -0.0000955400000000, -0.0000375600000000, -0.0001941100000000 ] - [ 0.0001513700000000, -0.0000100800000000, 0.0002716700000000 ] - [ -0.0000335700000000, 0.0000326300000000, 0.0003782600000000 ] - [ -0.0000947200000000, 0.0000369300000000, -0.0001970000000000 ] - [ -0.0001990900000000, 0.0000111000000000, 0.0000473800000000 ] - [ -0.0041383400000000, 0.0042533800000000, 0.0031620300000000 ] - [ -0.0003543400000000, -0.0000568000000000, 0.0011725600000000 ] - [ -0.0000850700000000, -0.0000271800000000, 0.0002562900000000 ] - [ -0.0084507200000000, -0.0037462300000000, -0.0007120100000000 ] - [ -0.0004440900000000, 0.0002761900000000, 0.0009086100000000 ] - [ -0.0008301800000000, -0.0023502400000000, -0.0002449300000000 ] - [ -0.0006177500000000, -0.0002761600000000, 0.0006552400000000 ] - [ -0.0001992800000000, -0.0003187800000000, 0.0005146400000000 ] - [ 0.0099802400000000, -0.0035610000000000, -0.0019872200000000 ] - [ 0.0076898500000000, -0.0108326800000000, 0.0198892400000000 ] - [ 0.0000928000000000, -0.0017468600000000, 0.0001181600000000 ] - [ 0.0002132000000000, -0.0435199600000000, -0.0044718800000000 ]- atom: 95 displacement: [ 0.0014301019275027, 0.0000000000000000, 0.0098972121568123 ] forces: - [ -0.0058706800000000, -0.0017356300000000, 0.0025568300000000 ] - [ -0.0053182500000000, -0.0002865200000000, -0.0025137500000000 ] - [ -0.0009482100000000, 0.0001413500000000, 0.0004379200000000 ] - [ -0.0004869700000000, 0.0000164800000000, -0.0017824400000000 ] - [ 0.0042458800000000, 0.0011248500000000, -0.0033510300000000 ] - [ -0.0002758800000000, -0.0000314100000000, -0.0024784400000000 ] - [ -0.0000048100000000, -0.0001881100000000, -0.0028973800000000 ] - [ -0.0002445700000000, 0.0000310600000000, -0.0024479200000000 ] - [ -0.0014897300000000, 0.0002561900000000, -0.0022345700000000 ] - [ -0.0000419600000000, -0.0000018800000000, -0.0023113600000000 ] - [ -0.0000016000000000, -0.0001772800000000, -0.0023283700000000 ] - [ 0.0007504700000000, 0.0002670500000000, -0.0031353600000000 ] - [ 0.0002640600000000, 0.0000044100000000, -0.0021538400000000 ] - [ 0.0002254200000000, 0.0000280300000000, -0.0029388600000000 ] - [ 0.0000020800000000, 0.0001773500000000, -0.0023275900000000 ] - [ 0.0005097600000000, 0.0000030100000000, -0.0021120800000000 ] - [ -0.0014771500000000, -0.0001173800000000, -0.0018744000000000 ] - [ -0.0020193400000000, 0.0000154400000000, 0.0060396500000000 ] - [ 0.0001158700000000, -0.0007761400000000, 0.0100938300000000 ] - [ -0.0055018900000000, 0.0010357900000000, -0.0019312100000000 ] - [ -0.0011480700000000, 0.0001036900000000, -0.0016896300000000 ] - [ 0.0371771800000000, -0.0033077800000000, 0.0421959900000000 ] - [ 0.0003781000000000, -0.0004255200000000, 0.0011506100000000 ] - [ -0.0016831200000000, -0.0002172400000000, 0.0051910500000000 ] - [ 0.0047947000000000, 0.0024007600000000, 0.0051189700000000 ] - [ 0.0025325400000000, -0.0017341700000000, -0.0009311700000000 ] - [ 0.0019976600000000, -0.0010768500000000, -0.0074941700000000 ] - [ 0.0003202600000000, 0.0000402800000000, -0.0025868800000000 ] - [ -0.0008091900000000, -0.0001280800000000, 0.0004780200000000 ] - [ -0.0000900200000000, -0.0000045900000000, -0.0021430500000000 ] - [ -0.0001446800000000, -0.0001628100000000, -0.0014376900000000 ] - [ -0.0000674900000000, 0.0000045400000000, -0.0021219700000000 ] - [ 0.0011281400000000, 0.0002846700000000, -0.0016746300000000 ] - [ -0.0001089000000000, -0.0000020400000000, -0.0023896400000000 ] - [ 0.0000431700000000, -0.0001895800000000, -0.0023940100000000 ] - [ 0.0001202500000000, 0.0002565900000000, -0.0013790600000000 ] - [ 0.0004302400000000, 0.0000034500000000, -0.0022159200000000 ] - [ -0.0002104600000000, 0.0000286100000000, -0.0027589400000000 ] - [ 0.0000462800000000, 0.0001896300000000, -0.0023919700000000 ] - [ 0.0004686400000000, 0.0000031600000000, -0.0021651800000000 ] - [ 0.0007214700000000, -0.0001605500000000, -0.0021313600000000 ] - [ -0.0051864700000000, -0.0219054300000000, 0.0371077100000000 ] - [ -0.0020874700000000, 0.0018000600000000, 0.0133509400000000 ] - [ 0.0027235000000000, 0.0030517400000000, -0.0003278700000000 ] - [ 0.0010125800000000, 0.0001566600000000, -0.0017824600000000 ] - [ -0.0012898500000000, 0.0005078300000000, 0.0079005000000000 ] - [ 0.0008817100000000, -0.0010660000000000, -0.0069051400000000 ] - [ 0.0263871100000000, -0.0390449700000000, 0.0383504700000000 ] - [ -0.0000326900000000, -0.0000031300000000, -0.0017181900000000 ] - [ 0.0000366800000000, -0.0000278500000000, -0.0013514600000000 ] - [ -0.0016312800000000, -0.0000644900000000, 0.0017248400000000 ] - [ -0.0000545200000000, -0.0000017400000000, -0.0019468400000000 ] - [ -0.0000352900000000, -0.0000030100000000, -0.0016492700000000 ] - [ 0.0000591600000000, -0.0000291100000000, -0.0017091300000000 ] - [ 0.0051110000000000, -0.0043104700000000, -0.0018725800000000 ] - [ 0.0000402400000000, 0.0000006400000000, -0.0017823200000000 ] - [ 0.0021310500000000, -0.0003090800000000, -0.0005445700000000 ] - [ 0.0005805400000000, -0.0000370900000000, 0.0002783700000000 ] - [ -0.0024265400000000, -0.0001286600000000, -0.0011627100000000 ] - [ 0.0012881700000000, 0.0044419500000000, 0.0050667800000000 ] - [ -0.0000424200000000, -0.0002746200000000, 0.0011941900000000 ] - [ -0.0014176100000000, -0.0001865200000000, 0.0019983900000000 ] - [ 0.0035430500000000, -0.0074994800000000, 0.0105178600000000 ] - [ 0.0013230900000000, -0.0005382100000000, 0.0030949300000000 ] - [ -0.0005506600000000, 0.0000043700000000, 0.0010998200000000 ] - [ -0.0000143800000000, 0.0002574800000000, 0.0011122100000000 ] - [ 0.0001677300000000, 0.0000438900000000, 0.0013292900000000 ] - [ 0.0008495000000000, 0.0004168700000000, 0.0020735200000000 ] - [ -0.0000183000000000, 0.0000596200000000, 0.0013682700000000 ] - [ 0.0001292500000000, -0.0000022100000000, 0.0014416700000000 ] - [ 0.0002905600000000, -0.0000470900000000, 0.0018166900000000 ] - [ -0.0000171500000000, -0.0000595600000000, 0.0013659900000000 ] - [ 0.0000892000000000, -0.0000205700000000, 0.0013333100000000 ] - [ -0.0000455300000000, 0.0000016000000000, 0.0014318400000000 ] - [ -0.0002040900000000, 0.0000004800000000, 0.0010182900000000 ] - [ 0.0002098100000000, 0.0000401100000000, 0.0013858900000000 ] - [ 0.0000808900000000, -0.0000515400000000, 0.0013619400000000 ] - [ 0.0001017700000000, -0.0000037200000000, 0.0012657200000000 ] - [ 0.0001924400000000, -0.0000010300000000, 0.0014697400000000 ] - [ -0.0000297500000000, -0.0000493600000000, 0.0009569000000000 ] - [ -0.0007288200000000, 0.0001535100000000, 0.0018734100000000 ] - [ -0.0001886500000000, 0.0000428800000000, 0.0017557300000000 ] - [ -0.0000274200000000, 0.0000465600000000, 0.0009427300000000 ] - [ 0.0002105900000000, 0.0000465100000000, 0.0013972000000000 ] - [ 0.0042148500000000, 0.0002289300000000, -0.0025580500000000 ] - [ 0.0013565700000000, -0.0000117000000000, 0.0004665500000000 ] - [ 0.0005296700000000, -0.0001139400000000, 0.0016079100000000 ] - [ -0.0012016300000000, -0.0002709200000000, -0.0071954400000000 ] - [ 0.0014552600000000, -0.0002752600000000, 0.0040953800000000 ] - [ 0.0035950900000000, -0.0001443000000000, -0.0017082100000000 ] - [ 0.0112771800000000, 0.0127128100000000, 0.0126128100000000 ] - [ 0.0009727800000000, 0.0001343300000000, 0.0027270000000000 ] - [ 0.0038692700000000, -0.0009829400000000, -0.0057525700000000 ] - [ 0.0005773200000000, 0.0004409200000000, -0.0033099600000000 ] - [ -0.0755670900000000, 0.0833185900000000, -0.1462190500000000 ] - [ 0.0010685600000000, -0.0005008400000000, -0.0023038000000000 ] - [ -0.0060925200000000, 0.0008000400000000, 0.0039764400000000 ] - [ -0.0009814800000000, 0.0002969400000000, 0.0016144600000000 ] - [ 0.0023098400000000, 0.0002894600000000, -0.0002085400000000 ] - [ -0.0003595800000000, -0.0002886600000000, -0.0019117600000000 ] - [ 0.0000208000000000, -0.0001901300000000, 0.0007135900000000 ] - [ 0.0004118300000000, 0.0000465700000000, 0.0004425100000000 ] - [ -0.0003288500000000, 0.0002255300000000, -0.0022891600000000 ] - [ -0.0011699100000000, 0.0001109800000000, 0.0007495500000000 ] - [ -0.0005772000000000, 0.0000036900000000, 0.0009368800000000 ] - [ 0.0000682000000000, 0.0001687900000000, 0.0006384800000000 ] - [ -0.0004275400000000, 0.0000194000000000, 0.0010333100000000 ] - [ -0.0005774600000000, 0.0000231800000000, 0.0001448800000000 ] - [ -0.0000427100000000, 0.0000605400000000, 0.0013102000000000 ] - [ 0.0001141900000000, -0.0000021100000000, 0.0012946500000000 ] - [ -0.0000537900000000, -0.0000209800000000, 0.0015635300000000 ] - [ -0.0000417300000000, -0.0000604600000000, 0.0013082800000000 ] - [ 0.0002094500000000, -0.0000396700000000, 0.0013942000000000 ] - [ -0.0000400700000000, 0.0000017600000000, 0.0015304700000000 ] - [ -0.0001999600000000, 0.0000009200000000, 0.0010325600000000 ] - [ 0.0000906700000000, 0.0000213900000000, 0.0013279300000000 ] - [ -0.0002257600000000, -0.0000651700000000, 0.0018460900000000 ] - [ 0.0001313800000000, -0.0000033500000000, 0.0011305500000000 ] - [ 0.0001904000000000, -0.0000010600000000, 0.0014616900000000 ] - [ -0.0001364200000000, -0.0000464700000000, 0.0009354000000000 ] - [ 0.0007971600000000, 0.0000003900000000, 0.0008307200000000 ] - [ 0.0001492400000000, 0.0000287800000000, 0.0012841200000000 ] - [ -0.0001327700000000, 0.0000442700000000, 0.0009243800000000 ] - [ -0.0005091100000000, 0.0000265900000000, 0.0011416300000000 ] - [ -0.0158975500000000, -0.0022826900000000, 0.0084027900000000 ] - [ -0.0010872200000000, -0.0002606300000000, 0.0019265500000000 ] - [ -0.0002875100000000, -0.0000645800000000, 0.0010815800000000 ] - [ 0.0049227300000000, 0.0031451900000000, -0.0070413600000000 ] - [ -0.0010276400000000, 0.0002332300000000, 0.0014292300000000 ] - [ -0.0024083300000000, -0.0016662600000000, -0.0034615600000000 ] - [ -0.0013416900000000, -0.0012098100000000, -0.0023921800000000 ] - [ -0.0004167200000000, -0.0002752900000000, 0.0004409300000000 ] - [ 0.0060144000000000, -0.0034578800000000, -0.0074153200000000 ] - [ 0.0087923100000000, -0.0167238600000000, 0.0186591500000000 ] - [ 0.0015759500000000, 0.0004590700000000, -0.0023589700000000 ] - [ -0.0033227600000000, -0.0049840400000000, -0.0100619900000000 ]- atom: 95 displacement: [ -0.0014301019275027, 0.0000000000000000, -0.0098972121568123 ] forces: - [ 0.0061287700000000, 0.0017132300000000, -0.0019244300000000 ] - [ 0.0051586000000000, 0.0002860100000000, 0.0017306100000000 ] - [ 0.0011044400000000, -0.0000627800000000, -0.0005003200000000 ] - [ 0.0002553000000000, -0.0000163200000000, 0.0010719700000000 ] - [ -0.0040587400000000, -0.0011871900000000, 0.0032713000000000 ] - [ 0.0002377700000000, 0.0000397000000000, 0.0024907400000000 ] - [ -0.0001921400000000, 0.0001873700000000, 0.0030556400000000 ] - [ 0.0002065600000000, -0.0000389900000000, 0.0024604200000000 ] - [ 0.0012845900000000, -0.0002549100000000, 0.0023537600000000 ] - [ 0.0000367300000000, 0.0000020700000000, 0.0022641000000000 ] - [ 0.0001983300000000, 0.0000295200000000, 0.0015876800000000 ] - [ -0.0006632200000000, -0.0002692300000000, 0.0027222500000000 ] - [ 0.0003411800000000, -0.0000042000000000, 0.0019285100000000 ] - [ -0.0001700200000000, -0.0000281500000000, 0.0022788100000000 ] - [ 0.0001946300000000, -0.0000292000000000, 0.0015869400000000 ] - [ 0.0001994900000000, -0.0000028500000000, 0.0017813200000000 ] - [ 0.0016027500000000, 0.0002022000000000, 0.0018815400000000 ] - [ 0.0017701400000000, -0.0000124000000000, -0.0054839000000000 ] - [ -0.0003098000000000, 0.0010147600000000, -0.0091745600000000 ] - [ 0.0059389500000000, -0.0010462600000000, 0.0030199400000000 ] - [ 0.0012709100000000, -0.0001879700000000, 0.0016949100000000 ] - [ -0.0394438700000000, 0.0030996900000000, -0.0418348800000000 ] - [ 0.0000189500000000, 0.0004263400000000, -0.0004028700000000 ] - [ 0.0017299600000000, 0.0002122500000000, -0.0054141200000000 ] - [ -0.0044828300000000, -0.0023938600000000, -0.0044895600000000 ] - [ -0.0026496800000000, 0.0017294100000000, 0.0001627700000000 ] - [ -0.0018173900000000, 0.0011379900000000, 0.0073827700000000 ] - [ -0.0005470300000000, -0.0000399800000000, 0.0018731600000000 ] - [ 0.0009644900000000, 0.0000499500000000, -0.0005412200000000 ] - [ 0.0000528000000000, 0.0000130800000000, 0.0021573700000000 ] - [ -0.0000536800000000, 0.0001626300000000, 0.0016045500000000 ] - [ 0.0000302900000000, -0.0000126500000000, 0.0021363900000000 ] - [ -0.0013193200000000, -0.0002834500000000, 0.0017976900000000 ] - [ 0.0001031800000000, 0.0000021800000000, 0.0023421400000000 ] - [ 0.0001530400000000, 0.0000419900000000, 0.0016533500000000 ] - [ -0.0000246500000000, -0.0002568300000000, 0.0009558400000000 ] - [ 0.0001760700000000, -0.0000032600000000, 0.0019900800000000 ] - [ 0.0002685400000000, -0.0000283500000000, 0.0020985200000000 ] - [ 0.0001497700000000, -0.0000414800000000, 0.0016513600000000 ] - [ 0.0002406500000000, -0.0000029300000000, 0.0018346200000000 ] - [ -0.0006084400000000, 0.0002456000000000, 0.0021355500000000 ] - [ 0.0053509400000000, 0.0225643400000000, -0.0365963900000000 ] - [ 0.0018589500000000, -0.0015735400000000, -0.0124971100000000 ] - [ -0.0023093700000000, -0.0030519500000000, 0.0014018500000000 ] - [ -0.0009001800000000, -0.0002412900000000, 0.0017862400000000 ] - [ 0.0010886700000000, -0.0007476900000000, -0.0069888000000000 ] - [ -0.0004976100000000, 0.0010776600000000, 0.0076862200000000 ] - [ -0.0256340900000000, 0.0377098000000000, -0.0384948400000000 ] - [ -0.0001354400000000, -0.0000027400000000, 0.0012947200000000 ] - [ 0.0000214100000000, 0.0000212500000000, 0.0013830500000000 ] - [ 0.0019027100000000, 0.0000591300000000, -0.0007139500000000 ] - [ 0.0000329000000000, 0.0000088200000000, 0.0014247100000000 ] - [ -0.0001329000000000, -0.0000027600000000, 0.0012258400000000 ] - [ -0.0000021400000000, 0.0000226400000000, 0.0017427400000000 ] - [ -0.0048777500000000, 0.0043195600000000, 0.0028755800000000 ] - [ -0.0000619900000000, 0.0000065200000000, 0.0012589300000000 ] - [ -0.0021358900000000, 0.0003785900000000, 0.0007475700000000 ] - [ -0.0007808100000000, 0.0000367700000000, -0.0008061200000000 ] - [ 0.0023986000000000, 0.0000516600000000, 0.0013653100000000 ] - [ -0.0019534600000000, -0.0043782000000000, -0.0060216600000000 ] - [ -0.0002184200000000, 0.0000483700000000, -0.0018615600000000 ] - [ 0.0010196300000000, 0.0001866900000000, -0.0019734000000000 ] - [ -0.0039293300000000, 0.0073832800000000, -0.0104996900000000 ] - [ -0.0014830800000000, 0.0005499300000000, -0.0034081200000000 ] - [ -0.0003505700000000, -0.0000042500000000, -0.0018418400000000 ] - [ -0.0002461600000000, -0.0000309700000000, -0.0017798800000000 ] - [ -0.0003310500000000, -0.0000430300000000, -0.0017854600000000 ] - [ -0.0010138100000000, -0.0004288800000000, -0.0023965500000000 ] - [ -0.0000302800000000, 0.0000253600000000, -0.0014824600000000 ] - [ 0.0002652700000000, 0.0000023300000000, -0.0016054600000000 ] - [ 0.0002877500000000, 0.0000469600000000, -0.0015960900000000 ] - [ -0.0000314400000000, -0.0000251400000000, -0.0014798000000000 ] - [ -0.0001943600000000, -0.0002767200000000, -0.0012879800000000 ] - [ -0.0000583300000000, -0.0000014700000000, -0.0013037600000000 ] - [ -0.0001608800000000, -0.0000006900000000, -0.0017026000000000 ] - [ -0.0003143400000000, 0.0002574900000000, -0.0013403300000000 ] - [ -0.0001231800000000, -0.0000344300000000, -0.0010574500000000 ] - [ 0.0001639900000000, 0.0000038800000000, -0.0017505100000000 ] - [ 0.0001492500000000, 0.0000011000000000, -0.0019079600000000 ] - [ -0.0001491200000000, -0.0000119500000000, -0.0019727400000000 ] - [ 0.0009529000000000, -0.0001525600000000, -0.0015602600000000 ] - [ 0.0001482900000000, 0.0000438300000000, -0.0014530600000000 ] - [ -0.0001510100000000, 0.0000150200000000, -0.0019580500000000 ] - [ -0.0006012300000000, -0.0000470700000000, -0.0017945300000000 ] - [ -0.0042000100000000, 0.0000944100000000, 0.0029869800000000 ] - [ -0.0005480300000000, 0.0000123900000000, -0.0001699900000000 ] - [ -0.0004042600000000, 0.0001155300000000, -0.0018810000000000 ] - [ 0.0011631800000000, 0.0002993200000000, 0.0079393300000000 ] - [ -0.0014755600000000, 0.0006542600000000, -0.0032055400000000 ] - [ -0.0035662200000000, -0.0001799000000000, 0.0021286300000000 ] - [ -0.0113049500000000, -0.0129481500000000, -0.0116881200000000 ] - [ -0.0009879800000000, -0.0005098700000000, -0.0018205600000000 ] - [ -0.0036954800000000, 0.0009544200000000, 0.0064494400000000 ] - [ -0.0001775100000000, -0.0004424000000000, 0.0034045600000000 ] - [ 0.0765156200000000, -0.0824537400000000, 0.1481656200000000 ] - [ -0.0012081000000000, 0.0002539500000000, 0.0032691800000000 ] - [ 0.0060178800000000, -0.0007161400000000, -0.0037205900000000 ] - [ 0.0007720100000000, -0.0002964000000000, -0.0021374900000000 ] - [ -0.0023124300000000, -0.0003590700000000, 0.0004166100000000 ] - [ -0.0003238100000000, 0.0002869600000000, 0.0008779000000000 ] - [ -0.0002807200000000, -0.0000354000000000, -0.0013835600000000 ] - [ -0.0007971500000000, -0.0000459100000000, -0.0004264300000000 ] - [ -0.0001102900000000, -0.0002238700000000, 0.0021465200000000 ] - [ 0.0009960400000000, -0.0000942600000000, -0.0010808400000000 ] - [ -0.0003241400000000, -0.0000034400000000, -0.0016797000000000 ] - [ -0.0003278000000000, 0.0000570700000000, -0.0013086500000000 ] - [ 0.0002612500000000, -0.0000191100000000, -0.0014918300000000 ] - [ 0.0004063600000000, -0.0000391300000000, -0.0004792500000000 ] - [ -0.0000061000000000, 0.0000245500000000, -0.0014242600000000 ] - [ 0.0002804100000000, 0.0000022700000000, -0.0014589300000000 ] - [ 0.0006301200000000, 0.0000210500000000, -0.0013447300000000 ] - [ -0.0000069800000000, -0.0000242700000000, -0.0014221400000000 ] - [ -0.0003139800000000, -0.0002576200000000, -0.0013485400000000 ] - [ -0.0000635400000000, -0.0000014700000000, -0.0014028800000000 ] - [ -0.0001646300000000, -0.0000006700000000, -0.0017170000000000 ] - [ -0.0001959800000000, 0.0002761500000000, -0.0012826600000000 ] - [ 0.0001863700000000, -0.0000211400000000, -0.0015442200000000 ] - [ 0.0001340400000000, 0.0000036000000000, -0.0016146900000000 ] - [ 0.0001508900000000, 0.0000013000000000, -0.0018994800000000 ] - [ -0.0000420700000000, -0.0000148700000000, -0.0019507400000000 ] - [ -0.0005833300000000, -0.0000006300000000, -0.0005162200000000 ] - [ -0.0001922500000000, 0.0000580500000000, -0.0009804500000000 ] - [ -0.0000448700000000, 0.0000174400000000, -0.0019396100000000 ] - [ 0.0001227100000000, -0.0000265000000000, -0.0015366300000000 ] - [ 0.0161180400000000, 0.0026228800000000, -0.0080607700000000 ] - [ 0.0019122600000000, 0.0002594300000000, -0.0016340200000000 ] - [ 0.0004170600000000, 0.0000649100000000, -0.0013503700000000 ] - [ -0.0050529000000000, -0.0031538600000000, 0.0077592200000000 ] - [ 0.0010169400000000, 0.0001390700000000, -0.0005133200000000 ] - [ 0.0024511000000000, 0.0013422300000000, 0.0038890800000000 ] - [ 0.0014771900000000, 0.0012158200000000, 0.0035133300000000 ] - [ 0.0004052300000000, -0.0000967500000000, 0.0004772500000000 ] - [ -0.0059435800000000, 0.0034728200000000, 0.0080651200000000 ] - [ -0.0085601100000000, 0.0170581000000000, -0.0188900700000000 ] - [ -0.0017142800000000, -0.0002116600000000, 0.0033270000000000 ] - [ 0.0031852600000000, 0.0047098500000000, 0.0110244200000000 ]