# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7d29e827-d00e-47f7-bc8b-ccef6b8d58ad/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 Sr2C(NCl)2 / C2/m (12) / materials id 567655](https://mdr.nims.go.jp/datasets/82947913-d4aa-4985-833b-d496d143f72c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 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, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.803225825000000, -2.115347205000000, -0.013627835000000 ] # a - [ 4.803225825000000, 2.115347205000000, -0.013627835000000 ] # b - [ -1.007698900000000, 0.000000000000000, 7.118998390000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.682300300000000, 0.682300300000000, 0.270414540000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.317699700000000, 0.317699700000000, 0.729585460000000 ] mass: 87.620000 - symbol: C # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 12.010700 - symbol: N # 4 coordinates: [ 0.116186510000000, 0.116186510000000, 0.444995450000000 ] mass: 14.006700 - symbol: N # 5 coordinates: [ 0.883813490000000, 0.883813490000000, 0.555004550000000 ] mass: 14.006700 - symbol: Cl # 6 coordinates: [ 0.370481820000000, 0.370481820000000, 0.149191970000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.629518180000000, 0.629518180000000, 0.850808030000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ 0.104138531993369, -0.236367816506983, 0.014740877633115 ] # a* - [ 0.104138531993369, 0.236367816506983, 0.014740877633115 ] # b* - [ 0.000398702922350, 0.000000000000000, 0.140525635446348 ] # c*unit_cell: lattice: - [ 9.606451650000000, 0.000000000000000, -0.027255670000000 ] # a - [ 0.000000000000000, 4.230694410000000, 0.000000000000000 ] # b - [ -1.007698900000000, 0.000000000000000, 7.118998390000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.182300300000000, 0.500000000000000, 0.270414540000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.317699700000000, 0.000000000000000, 0.729585460000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.682300300000000, 0.000000000000000, 0.270414540000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.817699700000000, 0.500000000000000, 0.729585460000000 ] mass: 87.620000 reduced_to: 2 - symbol: C # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 5 - symbol: C # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 5 - symbol: N # 7 coordinates: [ 0.116186510000000, 0.000000000000000, 0.444995450000000 ] mass: 14.006700 reduced_to: 7 - symbol: N # 8 coordinates: [ 0.383813490000000, 0.500000000000000, 0.555004550000000 ] mass: 14.006700 reduced_to: 8 - symbol: N # 9 coordinates: [ 0.616186510000000, 0.500000000000000, 0.444995450000000 ] mass: 14.006700 reduced_to: 7 - symbol: N # 10 coordinates: [ 0.883813490000000, 0.000000000000000, 0.555004550000000 ] mass: 14.006700 reduced_to: 8 - symbol: Cl # 11 coordinates: [ 0.370481820000000, 0.000000000000000, 0.149191970000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.129518180000000, 0.500000000000000, 0.850808030000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.870481820000000, 0.500000000000000, 0.149191970000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 14 coordinates: [ 0.629518180000000, 0.000000000000000, 0.850808030000000 ] mass: 35.453000 reduced_to: 12supercell: lattice: - [ 9.606451650000000, 0.000000000000000, -0.027255670000000 ] # a - [ 0.000000000000000, 12.692083230000000, 0.000000000000000 ] # b - [ -2.015397800000000, 0.000000000000000, 14.237996780000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.182300300000000, 0.166666666666667, 0.135207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.182300300000000, 0.500000000000000, 0.135207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.182300300000000, 0.833333333333333, 0.135207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.182300300000000, 0.166666666666667, 0.635207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 5 coordinates: [ 0.182300300000000, 0.500000000000000, 0.635207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 6 coordinates: [ 0.182300300000000, 0.833333333333333, 0.635207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 7 coordinates: [ 0.317699700000000, 0.000000000000000, 0.364792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.317699700000000, 0.333333333333333, 0.364792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.317699700000000, 0.666666666666667, 0.364792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 10 coordinates: [ 0.317699700000000, 0.000000000000000, 0.864792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 11 coordinates: [ 0.317699700000000, 0.333333333333333, 0.864792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 12 coordinates: [ 0.317699700000000, 0.666666666666667, 0.864792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 13 coordinates: [ 0.682300300000000, 0.000000000000000, 0.135207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 14 coordinates: [ 0.682300300000000, 0.333333333333333, 0.135207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 15 coordinates: [ 0.682300300000000, 0.666666666666667, 0.135207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 16 coordinates: [ 0.682300300000000, 0.000000000000000, 0.635207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 17 coordinates: [ 0.682300300000000, 0.333333333333333, 0.635207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 18 coordinates: [ 0.682300300000000, 0.666666666666667, 0.635207270000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 19 coordinates: [ 0.817699700000000, 0.166666666666667, 0.364792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 20 coordinates: [ 0.817699700000000, 0.500000000000000, 0.364792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 21 coordinates: [ 0.817699700000000, 0.833333333333333, 0.364792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 22 coordinates: [ 0.817699700000000, 0.166666666666667, 0.864792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 23 coordinates: [ 0.817699700000000, 0.500000000000000, 0.864792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 24 coordinates: [ 0.817699700000000, 0.833333333333333, 0.864792730000000 ] mass: 87.620000 reduced_to: 7 - symbol: C # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.000000000000000, 0.333333333333333, 0.250000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 27 coordinates: [ 0.000000000000000, 0.666666666666667, 0.250000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 29 coordinates: [ 0.000000000000000, 0.333333333333333, 0.750000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 30 coordinates: [ 0.000000000000000, 0.666666666666667, 0.750000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 31 coordinates: [ 0.500000000000000, 0.166666666666667, 0.250000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 33 coordinates: [ 0.500000000000000, 0.833333333333333, 0.250000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 34 coordinates: [ 0.500000000000000, 0.166666666666667, 0.750000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 36 coordinates: [ 0.500000000000000, 0.833333333333333, 0.750000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: N # 37 coordinates: [ 0.116186510000000, 0.000000000000000, 0.222497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 38 coordinates: [ 0.116186510000000, 0.333333333333333, 0.222497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 39 coordinates: [ 0.116186510000000, 0.666666666666667, 0.222497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 40 coordinates: [ 0.116186510000000, 0.000000000000000, 0.722497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 41 coordinates: [ 0.116186510000000, 0.333333333333333, 0.722497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 42 coordinates: [ 0.116186510000000, 0.666666666666667, 0.722497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 43 coordinates: [ 0.383813490000000, 0.166666666666667, 0.277502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 44 coordinates: [ 0.383813490000000, 0.500000000000000, 0.277502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 45 coordinates: [ 0.383813490000000, 0.833333333333333, 0.277502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 46 coordinates: [ 0.383813490000000, 0.166666666666667, 0.777502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 47 coordinates: [ 0.383813490000000, 0.500000000000000, 0.777502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 48 coordinates: [ 0.383813490000000, 0.833333333333333, 0.777502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 49 coordinates: [ 0.616186510000000, 0.166666666666667, 0.222497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 50 coordinates: [ 0.616186510000000, 0.500000000000000, 0.222497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 51 coordinates: [ 0.616186510000000, 0.833333333333333, 0.222497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 52 coordinates: [ 0.616186510000000, 0.166666666666667, 0.722497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 53 coordinates: [ 0.616186510000000, 0.500000000000000, 0.722497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 54 coordinates: [ 0.616186510000000, 0.833333333333333, 0.722497725000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 55 coordinates: [ 0.883813490000000, 0.000000000000000, 0.277502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 56 coordinates: [ 0.883813490000000, 0.333333333333333, 0.277502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 57 coordinates: [ 0.883813490000000, 0.666666666666667, 0.277502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 58 coordinates: [ 0.883813490000000, 0.000000000000000, 0.777502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 59 coordinates: [ 0.883813490000000, 0.333333333333333, 0.777502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 60 coordinates: [ 0.883813490000000, 0.666666666666667, 0.777502275000000 ] mass: 14.006700 reduced_to: 43 - symbol: Cl # 61 coordinates: [ 0.370481820000000, 0.000000000000000, 0.074595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.370481820000000, 0.333333333333333, 0.074595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.370481820000000, 0.666666666666667, 0.074595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 64 coordinates: [ 0.370481820000000, 0.000000000000000, 0.574595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 65 coordinates: [ 0.370481820000000, 0.333333333333333, 0.574595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 66 coordinates: [ 0.370481820000000, 0.666666666666667, 0.574595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 67 coordinates: [ 0.129518180000000, 0.166666666666667, 0.425404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 68 coordinates: [ 0.129518180000000, 0.500000000000000, 0.425404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 69 coordinates: [ 0.129518180000000, 0.833333333333333, 0.425404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 70 coordinates: [ 0.129518180000000, 0.166666666666667, 0.925404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 71 coordinates: [ 0.129518180000000, 0.500000000000000, 0.925404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 72 coordinates: [ 0.129518180000000, 0.833333333333333, 0.925404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 73 coordinates: [ 0.870481820000000, 0.166666666666667, 0.074595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 74 coordinates: [ 0.870481820000000, 0.500000000000000, 0.074595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 75 coordinates: [ 0.870481820000000, 0.833333333333333, 0.074595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 76 coordinates: [ 0.870481820000000, 0.166666666666667, 0.574595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 77 coordinates: [ 0.870481820000000, 0.500000000000000, 0.574595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 78 coordinates: [ 0.870481820000000, 0.833333333333333, 0.574595985000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 79 coordinates: [ 0.629518180000000, 0.000000000000000, 0.425404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 80 coordinates: [ 0.629518180000000, 0.333333333333333, 0.425404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 81 coordinates: [ 0.629518180000000, 0.666666666666667, 0.425404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 82 coordinates: [ 0.629518180000000, 0.000000000000000, 0.925404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 83 coordinates: [ 0.629518180000000, 0.333333333333333, 0.925404015000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 84 coordinates: [ 0.629518180000000, 0.666666666666667, 0.925404015000000 ] mass: 35.453000 reduced_to: 67born_effective_charge:- # 1 (Sr) - [ 2.638093980000000, 0.000000000000000, 0.022164290000000 ] - [ 0.000000000000000, 2.403011720000000, 0.000000000000000 ] - [ -0.038304200000000, -0.000000000000000, 2.393103170000000 ]- # 2 (Sr) - [ 2.638093980000000, 0.000000000000000, 0.022164290000000 ] - [ 0.000000000000000, 2.403011720000000, 0.000000000000000 ] - [ -0.038304200000000, -0.000000000000000, 2.393103170000000 ]- # 3 (C) - [ 4.111919690000000, 0.000000000000000, -1.380821940000000 ] - [ 0.000000000000000, -0.148524300000000, -0.000000000000000 ] - [ -1.152690060000000, -0.000000000000000, 0.347517600000000 ]- # 4 (N) - [ -3.365798260000000, -0.000000000000000, 0.637816790000000 ] - [ -0.000000000000000, -1.263164880000000, 0.000000000000000 ] - [ 0.602277670000000, 0.000000000000000, -1.368999400000000 ]- # 5 (N) - [ -3.365798260000000, -0.000000000000000, 0.637816790000000 ] - [ -0.000000000000000, -1.263164880000000, 0.000000000000000 ] - [ 0.602277670000000, 0.000000000000000, -1.368999400000000 ]- # 6 (Cl) - [ -1.328255570000000, -0.000000000000000, 0.030429900000000 ] - [ -0.000000000000000, -1.065584680000000, 0.000000000000000 ] - [ 0.012371550000000, 0.000000000000000, -1.197862570000000 ]- # 7 (Cl) - [ -1.328255570000000, -0.000000000000000, 0.030429900000000 ] - [ -0.000000000000000, -1.065584680000000, 0.000000000000000 ] - [ 0.012371550000000, 0.000000000000000, -1.197862570000000 ]dielectric_constant: - [ 3.676095870000000, 0.000000000000000, -0.184298580000000 ] - [ 0.000000000000000, 2.905966880000000, 0.000000000000000 ] - [ -0.184296260000000, 0.000000000000000, 3.026946090000000 ]displacements:- atom: 1 displacement: [ 0.0099999597509991, 0.0000000000000000, -0.0000283721412356 ] forces: - [ -0.0507418900000000, 0.0000000000000000, -0.0019836500000000 ] - [ -0.0030863900000000, 0.0001007800000000, 0.0014392800000000 ] - [ -0.0030863900000000, -0.0001007800000000, 0.0014392800000000 ] - [ -0.0000270900000000, 0.0000000000000000, -0.0000880400000000 ] - [ 0.0000521900000000, -0.0000432900000000, -0.0000599100000000 ] - [ 0.0000521900000000, 0.0000432900000000, -0.0000599100000000 ] - [ -0.0031945000000000, -0.0025167700000000, 0.0019176900000000 ] - [ -0.0031945000000000, 0.0025167700000000, 0.0019176900000000 ] - [ -0.0005638700000000, 0.0000000000000000, 0.0000983700000000 ] - [ -0.0003793200000000, 0.0001316300000000, -0.0028461900000000 ] - [ -0.0003793200000000, -0.0001316300000000, -0.0028461900000000 ] - [ -0.0000315700000000, 0.0000000000000000, -0.0005724900000000 ] - [ 0.0069397500000000, 0.0010598700000000, -0.0005845300000000 ] - [ 0.0069397500000000, -0.0010598700000000, -0.0005845300000000 ] - [ 0.0010603400000000, 0.0000000000000000, 0.0000253000000000 ] - [ 0.0002334700000000, 0.0000519700000000, 0.0004187800000000 ] - [ 0.0002334700000000, -0.0000519700000000, 0.0004187800000000 ] - [ 0.0001420400000000, 0.0000000000000000, 0.0001201100000000 ] - [ 0.0032976800000000, 0.0000000000000000, -0.0010145600000000 ] - [ 0.0007959300000000, -0.0006843600000000, -0.0006412100000000 ] - [ 0.0007959300000000, 0.0006843600000000, -0.0006412100000000 ] - [ 0.0002960200000000, 0.0000000000000000, 0.0037484100000000 ] - [ -0.0002036700000000, -0.0003276700000000, 0.0002259100000000 ] - [ -0.0002036700000000, 0.0003276700000000, 0.0002259100000000 ] - [ 0.0075010800000000, 0.0026720200000000, -0.0036905100000000 ] - [ 0.0075010800000000, -0.0026720200000000, -0.0036905100000000 ] - [ -0.0004801200000000, 0.0000000000000000, 0.0000845600000000 ] - [ -0.0005832900000000, -0.0000410900000000, 0.0001993800000000 ] - [ -0.0005832900000000, 0.0000410900000000, 0.0001993800000000 ] - [ -0.0000563300000000, 0.0000000000000000, -0.0000034400000000 ] - [ 0.0158816200000000, 0.0000000000000000, -0.0001969500000000 ] - [ 0.0006900400000000, 0.0002821300000000, 0.0000142000000000 ] - [ 0.0006900400000000, -0.0002821300000000, 0.0000142000000000 ] - [ 0.0008541300000000, 0.0000000000000000, -0.0002974300000000 ] - [ 0.0003571400000000, -0.0000234500000000, -0.0000844300000000 ] - [ 0.0003571400000000, 0.0000234500000000, -0.0000844300000000 ] - [ 0.0039398400000000, 0.0032780100000000, -0.0011540600000000 ] - [ 0.0039398400000000, -0.0032780100000000, -0.0011540600000000 ] - [ 0.0015864300000000, 0.0000000000000000, -0.0005748100000000 ] - [ 0.0016886500000000, -0.0001017500000000, -0.0002844900000000 ] - [ 0.0016886500000000, 0.0001017500000000, -0.0002844900000000 ] - [ 0.0012268100000000, 0.0000000000000000, -0.0002472100000000 ] - [ 0.0025855200000000, 0.0000000000000000, 0.0070644200000000 ] - [ -0.0013781000000000, -0.0005676300000000, 0.0001423600000000 ] - [ -0.0013781000000000, 0.0005676300000000, 0.0001423600000000 ] - [ -0.0015489500000000, 0.0000000000000000, 0.0008236200000000 ] - [ -0.0013959500000000, -0.0000869900000000, 0.0005882400000000 ] - [ -0.0013959500000000, 0.0000869900000000, 0.0005882400000000 ] - [ -0.0080602800000000, 0.0000000000000000, 0.0013939500000000 ] - [ 0.0003867700000000, -0.0000528700000000, -0.0006010200000000 ] - [ 0.0003867700000000, 0.0000528700000000, -0.0006010200000000 ] - [ 0.0004801100000000, 0.0000000000000000, -0.0005601600000000 ] - [ 0.0009123300000000, 0.0000313900000000, -0.0003269300000000 ] - [ 0.0009123300000000, -0.0000313900000000, -0.0003269300000000 ] - [ -0.0047547900000000, -0.0007468600000000, 0.0015677900000000 ] - [ -0.0047547900000000, 0.0007468600000000, 0.0015677900000000 ] - [ -0.0009255300000000, 0.0000000000000000, 0.0002387000000000 ] - [ -0.0008218900000000, -0.0002990000000000, -0.0000330600000000 ] - [ -0.0008218900000000, 0.0002990000000000, -0.0000330600000000 ] - [ -0.0010932900000000, 0.0000000000000000, 0.0003767800000000 ] - [ 0.0056306600000000, -0.0045154100000000, -0.0014102900000000 ] - [ 0.0056306600000000, 0.0045154100000000, -0.0014102900000000 ] - [ -0.0001183600000000, 0.0000000000000000, -0.0000681300000000 ] - [ -0.0001552100000000, -0.0000295500000000, -0.0000798500000000 ] - [ -0.0001552100000000, 0.0000295500000000, -0.0000798500000000 ] - [ -0.0002238500000000, 0.0000000000000000, 0.0000324900000000 ] - [ 0.0009943200000000, 0.0000000000000000, 0.0008080200000000 ] - [ 0.0006211800000000, 0.0000985200000000, 0.0002717500000000 ] - [ 0.0006211800000000, -0.0000985200000000, 0.0002717500000000 ] - [ 0.0033660500000000, 0.0000000000000000, -0.0002897800000000 ] - [ 0.0009759000000000, -0.0001877200000000, 0.0002614200000000 ] - [ 0.0009759000000000, 0.0001877200000000, 0.0002614200000000 ] - [ 0.0077101900000000, 0.0000000000000000, 0.0019848000000000 ] - [ -0.0006202500000000, 0.0006098800000000, -0.0001741500000000 ] - [ -0.0006202500000000, -0.0006098800000000, -0.0001741500000000 ] - [ -0.0004435100000000, 0.0000000000000000, -0.0000209400000000 ] - [ -0.0003904600000000, -0.0000118800000000, 0.0000318500000000 ] - [ -0.0003904600000000, 0.0000118800000000, 0.0000318500000000 ] - [ -0.0002591800000000, 0.0003232800000000, -0.0003462000000000 ] - [ -0.0002591800000000, -0.0003232800000000, -0.0003462000000000 ] - [ 0.0000820400000000, 0.0000000000000000, -0.0000185300000000 ] - [ -0.0011484800000000, -0.0006165300000000, -0.0001746800000000 ] - [ -0.0011484800000000, 0.0006165300000000, -0.0001746800000000 ] - [ 0.0000444900000000, 0.0000000000000000, -0.0000377200000000 ]- atom: 1 displacement: [ -0.0099999597509991, 0.0000000000000000, 0.0000283721412356 ] forces: - [ 0.0510187900000000, 0.0000000000000000, 0.0021272600000000 ] - [ 0.0033252000000000, -0.0001176600000000, -0.0011200800000000 ] - [ 0.0033252000000000, 0.0001176600000000, -0.0011200800000000 ] - [ 0.0002684500000000, 0.0000000000000000, 0.0004076800000000 ] - [ 0.0001903900000000, 0.0000420000000000, 0.0003763600000000 ] - [ 0.0001903900000000, -0.0000420000000000, 0.0003763600000000 ] - [ 0.0029323900000000, 0.0025251600000000, -0.0022484100000000 ] - [ 0.0029323900000000, -0.0025251600000000, -0.0022484100000000 ] - [ 0.0003193000000000, 0.0000000000000000, -0.0004146500000000 ] - [ 0.0001242900000000, -0.0001262900000000, 0.0025256500000000 ] - [ 0.0001242900000000, 0.0001262900000000, 0.0025256500000000 ] - [ -0.0002122900000000, 0.0000000000000000, 0.0002564800000000 ] - [ -0.0067026000000000, -0.0010839300000000, 0.0009069600000000 ] - [ -0.0067026000000000, 0.0010839300000000, 0.0009069600000000 ] - [ -0.0008189500000000, 0.0000000000000000, 0.0002922200000000 ] - [ 0.0000107200000000, -0.0000521200000000, -0.0001013700000000 ] - [ 0.0000107200000000, 0.0000521200000000, -0.0001013700000000 ] - [ 0.0001017600000000, 0.0000000000000000, 0.0001983800000000 ] - [ -0.0035376300000000, 0.0000000000000000, 0.0007129600000000 ] - [ -0.0010369900000000, 0.0006817400000000, 0.0003234200000000 ] - [ -0.0010369900000000, -0.0006817400000000, 0.0003234200000000 ] - [ -0.0005290200000000, 0.0000000000000000, -0.0040891900000000 ] - [ -0.0000368400000000, 0.0003294800000000, -0.0005464300000000 ] - [ -0.0000368400000000, -0.0003294800000000, -0.0005464300000000 ] - [ -0.0074072600000000, -0.0027058700000000, 0.0036823200000000 ] - [ -0.0074072600000000, 0.0027058700000000, 0.0036823200000000 ] - [ 0.0004789400000000, 0.0000000000000000, -0.0000837600000000 ] - [ 0.0005900400000000, 0.0000420800000000, -0.0002002400000000 ] - [ 0.0005900400000000, -0.0000420800000000, -0.0002002400000000 ] - [ 0.0000612700000000, 0.0000000000000000, 0.0000018500000000 ] - [ -0.0158896800000000, 0.0000000000000000, 0.0003260400000000 ] - [ -0.0006943800000000, -0.0002819500000000, -0.0000131200000000 ] - [ -0.0006943800000000, 0.0002819500000000, -0.0000131200000000 ] - [ -0.0008554500000000, 0.0000000000000000, 0.0002976600000000 ] - [ -0.0003594500000000, 0.0000237400000000, 0.0000849900000000 ] - [ -0.0003594500000000, -0.0000237400000000, 0.0000849900000000 ] - [ -0.0016276200000000, -0.0033570400000000, 0.0004929700000000 ] - [ -0.0016276200000000, 0.0033570400000000, 0.0004929700000000 ] - [ 0.0007479200000000, 0.0000000000000000, -0.0001369800000000 ] - [ 0.0006407800000000, 0.0000988000000000, -0.0004269900000000 ] - [ 0.0006407800000000, -0.0000988000000000, -0.0004269900000000 ] - [ 0.0011030800000000, 0.0000000000000000, -0.0004622300000000 ] - [ -0.0046244300000000, 0.0000000000000000, -0.0059933400000000 ] - [ -0.0009528500000000, 0.0005667600000000, 0.0005677300000000 ] - [ -0.0009528500000000, -0.0005667600000000, 0.0005677300000000 ] - [ -0.0007834800000000, 0.0000000000000000, -0.0001118300000000 ] - [ -0.0009364900000000, 0.0000873900000000, 0.0001224700000000 ] - [ -0.0009364900000000, -0.0000873900000000, 0.0001224700000000 ] - [ 0.0104266300000000, 0.0000000000000000, -0.0021605400000000 ] - [ 0.0019513400000000, 0.0000499500000000, -0.0001133100000000 ] - [ 0.0019513400000000, -0.0000499500000000, -0.0001133100000000 ] - [ 0.0018575300000000, 0.0000000000000000, -0.0001497900000000 ] - [ 0.0014239300000000, -0.0000316300000000, -0.0003840000000000 ] - [ 0.0014239300000000, 0.0000316300000000, -0.0003840000000000 ] - [ 0.0023465800000000, 0.0007644400000000, -0.0008414200000000 ] - [ 0.0023465800000000, -0.0007644400000000, -0.0008414200000000 ] - [ -0.0014061100000000, 0.0000000000000000, 0.0004701200000000 ] - [ -0.0015171900000000, 0.0002989700000000, 0.0007452400000000 ] - [ -0.0015171900000000, -0.0002989700000000, 0.0007452400000000 ] - [ -0.0012446100000000, 0.0000000000000000, 0.0003359900000000 ] - [ -0.0060622800000000, 0.0042917300000000, 0.0012997500000000 ] - [ -0.0060622800000000, -0.0042917300000000, 0.0012997500000000 ] - [ -0.0004742000000000, 0.0000000000000000, 0.0000436800000000 ] - [ -0.0004378800000000, 0.0000293000000000, 0.0000552700000000 ] - [ -0.0004378800000000, -0.0000293000000000, 0.0000552700000000 ] - [ -0.0003696300000000, 0.0000000000000000, -0.0000569200000000 ] - [ -0.0004021700000000, 0.0000000000000000, -0.0007825600000000 ] - [ -0.0000269200000000, -0.0000982200000000, -0.0002468200000000 ] - [ -0.0000269200000000, 0.0000982200000000, -0.0002468200000000 ] - [ -0.0027753100000000, 0.0000000000000000, 0.0003408500000000 ] - [ -0.0003811300000000, 0.0001885000000000, -0.0002363200000000 ] - [ -0.0003811300000000, -0.0001885000000000, -0.0002363200000000 ] - [ -0.0089231800000000, 0.0000000000000000, -0.0022097900000000 ] - [ 0.0000250200000000, -0.0006140500000000, 0.0001493800000000 ] - [ 0.0000250200000000, 0.0006140500000000, 0.0001493800000000 ] - [ -0.0001511900000000, 0.0000000000000000, -0.0000041000000000 ] - [ -0.0002035200000000, 0.0000121600000000, -0.0000565500000000 ] - [ -0.0002035200000000, -0.0000121600000000, -0.0000565500000000 ] - [ 0.0008529500000000, -0.0003220900000000, 0.0003685500000000 ] - [ 0.0008529500000000, 0.0003220900000000, 0.0003685500000000 ] - [ 0.0005113000000000, 0.0000000000000000, 0.0000425300000000 ] - [ 0.0017461600000000, 0.0006203600000000, 0.0002035500000000 ] - [ 0.0017461600000000, -0.0006203600000000, 0.0002035500000000 ] - [ 0.0005496000000000, 0.0000000000000000, 0.0000629300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002082500000000, -0.0631505000000000, -0.0002130100000000 ] - [ 0.0000139100000000, 0.0096295800000000, 0.0002045200000000 ] - [ 0.0002324800000000, 0.0095401200000000, 0.0001127400000000 ] - [ 0.0001205500000000, -0.0007860300000000, 0.0001625800000000 ] - [ 0.0001648300000000, 0.0003950300000000, 0.0003548700000000 ] - [ 0.0000782200000000, 0.0003993000000000, -0.0000353100000000 ] - [ -0.0026541700000000, 0.0002558500000000, -0.0066415400000000 ] - [ 0.0024246800000000, 0.0002390500000000, 0.0063582900000000 ] - [ -0.0001213200000000, 0.0023728800000000, -0.0001556700000000 ] - [ 0.0000136100000000, -0.0008530700000000, 0.0032956000000000 ] - [ -0.0002635000000000, -0.0008728100000000, -0.0036153800000000 ] - [ -0.0001201000000000, 0.0017534100000000, -0.0001604700000000 ] - [ -0.0009486000000000, -0.0015339100000000, 0.0005004700000000 ] - [ 0.0011928100000000, -0.0015589700000000, -0.0001900900000000 ] - [ 0.0001203600000000, 0.0029679900000000, 0.0001576800000000 ] - [ 0.0000695800000000, -0.0003683600000000, 0.0000543600000000 ] - [ 0.0001745200000000, -0.0003717300000000, 0.0002664100000000 ] - [ 0.0001216800000000, 0.0007421700000000, 0.0001601300000000 ] - [ -0.0001246400000000, -0.0048068900000000, -0.0001620200000000 ] - [ -0.0008018100000000, 0.0024071900000000, 0.0013225600000000 ] - [ 0.0005563700000000, 0.0024071700000000, -0.0016336300000000 ] - [ -0.0001133000000000, -0.0016373200000000, -0.0001508300000000 ] - [ -0.0004538500000000, 0.0007874300000000, -0.0010905800000000 ] - [ 0.0002083600000000, 0.0007930000000000, 0.0007673000000000 ] - [ 0.0164234300000000, 0.0018784400000000, -0.0059908800000000 ] - [ -0.0164650100000000, 0.0019433200000000, 0.0060408000000000 ] - [ -0.0000064000000000, -0.0002673900000000, 0.0000016500000000 ] - [ 0.0000120300000000, 0.0000136100000000, -0.0000548300000000 ] - [ -0.0000118700000000, 0.0000129800000000, 0.0000558100000000 ] - [ 0.0000012700000000, -0.0000253400000000, -0.0000005300000000 ] - [ -0.0000310500000000, 0.0004568000000000, -0.0000013900000000 ] - [ 0.0007984000000000, -0.0001383400000000, -0.0001423000000000 ] - [ -0.0007853300000000, -0.0001378900000000, 0.0001373100000000 ] - [ -0.0000005200000000, 0.0000967100000000, -0.0000003600000000 ] - [ 0.0003644500000000, -0.0000470800000000, -0.0000914200000000 ] - [ -0.0003662800000000, -0.0000476900000000, 0.0000922000000000 ] - [ 0.0012763000000000, 0.0125089400000000, -0.0039177600000000 ] - [ 0.0007681600000000, 0.0131375100000000, 0.0036236000000000 ] - [ 0.0011723400000000, -0.0023465700000000, -0.0003595000000000 ] - [ 0.0010213700000000, 0.0002931500000000, -0.0006715400000000 ] - [ 0.0013123400000000, 0.0002987000000000, -0.0000430600000000 ] - [ 0.0011660200000000, -0.0005305300000000, -0.0003544200000000 ] - [ -0.0011870800000000, 0.0058441500000000, 0.0003339400000000 ] - [ -0.0019487800000000, -0.0015318100000000, -0.0006870200000000 ] - [ -0.0003971900000000, -0.0015277200000000, 0.0013933600000000 ] - [ -0.0011658400000000, 0.0009909000000000, 0.0003541300000000 ] - [ -0.0014276200000000, -0.0004906500000000, 0.0006360700000000 ] - [ -0.0009069900000000, -0.0004942200000000, 0.0000744000000000 ] - [ 0.0011854700000000, 0.0018492200000000, -0.0003593400000000 ] - [ 0.0006038700000000, -0.0011313100000000, -0.0004059400000000 ] - [ 0.0017259200000000, -0.0011351500000000, -0.0003014200000000 ] - [ 0.0011676000000000, 0.0004338000000000, -0.0003577600000000 ] - [ 0.0009587200000000, -0.0002146800000000, -0.0000871200000000 ] - [ 0.0013783300000000, -0.0002163900000000, -0.0006247200000000 ] - [ -0.0129559700000000, 0.0005944800000000, 0.0045694300000000 ] - [ 0.0106528200000000, 0.0005777900000000, -0.0038733000000000 ] - [ -0.0011630600000000, -0.0012129100000000, 0.0003536100000000 ] - [ -0.0011872100000000, 0.0003394200000000, 0.0002247700000000 ] - [ -0.0011476800000000, 0.0003459500000000, 0.0004831900000000 ] - [ -0.0011685000000000, -0.0006625800000000, 0.0003565300000000 ] - [ -0.0031272600000000, 0.0058675800000000, 0.0007477400000000 ] - [ 0.0027521000000000, 0.0061009700000000, -0.0008652900000000 ] - [ -0.0002990800000000, -0.0018615500000000, -0.0000109500000000 ] - [ -0.0003814600000000, 0.0001985800000000, 0.0003895200000000 ] - [ -0.0002123800000000, 0.0002002100000000, -0.0004170500000000 ] - [ -0.0002968500000000, -0.0003990200000000, -0.0000135000000000 ] - [ 0.0002962600000000, 0.0015234700000000, 0.0000127600000000 ] - [ 0.0001449300000000, -0.0007411500000000, -0.0006815700000000 ] - [ 0.0004485900000000, -0.0007420900000000, 0.0007037600000000 ] - [ 0.0002976100000000, 0.0029115400000000, 0.0000196100000000 ] - [ 0.0004225600000000, -0.0010412500000000, 0.0010863600000000 ] - [ 0.0001700100000000, -0.0010402400000000, -0.0010527900000000 ] - [ -0.0002836400000000, 0.0030271500000000, -0.0000073300000000 ] - [ 0.0004552200000000, -0.0011724900000000, 0.0005015100000000 ] - [ -0.0010411800000000, -0.0011713900000000, -0.0005228100000000 ] - [ -0.0002972800000000, 0.0003739600000000, -0.0000130900000000 ] - [ -0.0001744200000000, -0.0001846200000000, -0.0002999300000000 ] - [ -0.0004188400000000, -0.0001861600000000, 0.0002726900000000 ] - [ 0.0004475200000000, 0.0004174700000000, 0.0004009600000000 ] - [ 0.0001475000000000, 0.0004198200000000, -0.0003769600000000 ] - [ 0.0002967900000000, -0.0008234700000000, 0.0000113500000000 ] - [ 0.0012294500000000, 0.0004098100000000, -0.0008449000000000 ] - [ -0.0006384400000000, 0.0004145400000000, 0.0008706500000000 ] - [ 0.0002969500000000, -0.0007098700000000, 0.0000140900000000 ]- atom: 1 displacement: [ -0.0014015352162634, 0.0000000000000000, 0.0099012978461196 ] forces: - [ 0.0049240800000000, 0.0000000000000000, -0.0582344800000000 ] - [ 0.0018259800000000, -0.0000723600000000, -0.0034164700000000 ] - [ 0.0018259800000000, 0.0000723600000000, -0.0034164700000000 ] - [ -0.0000910200000000, 0.0000000000000000, 0.0040295700000000 ] - [ -0.0000799200000000, -0.0001851900000000, 0.0017248400000000 ] - [ -0.0000799200000000, 0.0001851900000000, 0.0017248400000000 ] - [ 0.0024016500000000, -0.0061111400000000, 0.0057061400000000 ] - [ 0.0024016500000000, 0.0061111400000000, 0.0057061400000000 ] - [ 0.0001941100000000, 0.0000000000000000, -0.0001412100000000 ] - [ -0.0027252900000000, 0.0033886400000000, 0.0029319700000000 ] - [ -0.0027252900000000, -0.0033886400000000, 0.0029319700000000 ] - [ -0.0005427800000000, 0.0000000000000000, 0.0001310000000000 ] - [ -0.0015802100000000, -0.0004850100000000, -0.0040689600000000 ] - [ -0.0015802100000000, 0.0004850100000000, -0.0040689600000000 ] - [ -0.0001447400000000, 0.0000000000000000, -0.0008739100000000 ] - [ 0.0003688600000000, 0.0000959600000000, 0.0021264700000000 ] - [ 0.0003688600000000, -0.0000959600000000, 0.0021264700000000 ] - [ 0.0000828900000000, 0.0000000000000000, 0.0011072700000000 ] - [ -0.0014567800000000, 0.0000000000000000, 0.0019223300000000 ] - [ -0.0007252000000000, 0.0015569100000000, 0.0004726200000000 ] - [ -0.0007252000000000, -0.0015569100000000, 0.0004726200000000 ] - [ 0.0036912200000000, 0.0000000000000000, 0.0017551500000000 ] - [ 0.0002705000000000, -0.0008718900000000, -0.0001724800000000 ] - [ 0.0002705000000000, 0.0008718900000000, -0.0001724800000000 ] - [ -0.0086277200000000, -0.0019782300000000, 0.0042474200000000 ] - [ -0.0086277200000000, 0.0019782300000000, 0.0042474200000000 ] - [ 0.0006592300000000, 0.0000000000000000, -0.0001958500000000 ] - [ -0.0005096700000000, 0.0001527600000000, 0.0003823600000000 ] - [ -0.0005096700000000, -0.0001527600000000, 0.0003823600000000 ] - [ -0.0003588800000000, 0.0000000000000000, 0.0001581100000000 ] - [ 0.0137033800000000, 0.0000000000000000, -0.0037385200000000 ] - [ 0.0012138800000000, -0.0002299000000000, -0.0005036300000000 ] - [ 0.0012138800000000, 0.0002299000000000, -0.0005036300000000 ] - [ -0.0016743100000000, 0.0000000000000000, 0.0002575300000000 ] - [ -0.0010888200000000, 0.0001107800000000, 0.0003041000000000 ] - [ -0.0010888200000000, -0.0001107800000000, 0.0003041000000000 ] - [ -0.0001329800000000, -0.0062800100000000, 0.0079494100000000 ] - [ -0.0001329800000000, 0.0062800100000000, 0.0079494100000000 ] - [ 0.0007291900000000, 0.0000000000000000, 0.0002709100000000 ] - [ 0.0013943300000000, -0.0005497600000000, -0.0020169100000000 ] - [ 0.0013943300000000, 0.0005497600000000, -0.0020169100000000 ] - [ 0.0013409700000000, 0.0000000000000000, -0.0009130500000000 ] - [ 0.0003069800000000, 0.0000000000000000, 0.0116028700000000 ] - [ -0.0019789700000000, -0.0007391000000000, 0.0012660000000000 ] - [ -0.0019789700000000, 0.0007391000000000, 0.0012660000000000 ] - [ 0.0002385900000000, 0.0000000000000000, -0.0014268600000000 ] - [ -0.0005066000000000, 0.0006050100000000, -0.0005579900000000 ] - [ -0.0005066000000000, -0.0006050100000000, -0.0005579900000000 ] - [ -0.0083761800000000, 0.0000000000000000, 0.0049555100000000 ] - [ 0.0007698500000000, 0.0000127000000000, 0.0008222600000000 ] - [ 0.0007698500000000, -0.0000127000000000, 0.0008222600000000 ] - [ 0.0022589700000000, 0.0000000000000000, -0.0017668100000000 ] - [ 0.0017931700000000, 0.0000319900000000, -0.0010290500000000 ] - [ 0.0017931700000000, -0.0000319900000000, -0.0010290500000000 ] - [ 0.0043404900000000, 0.0007751700000000, -0.0010548600000000 ] - [ 0.0043404900000000, -0.0007751700000000, -0.0010548600000000 ] - [ -0.0014974700000000, 0.0000000000000000, 0.0008971000000000 ] - [ -0.0012715000000000, -0.0007771100000000, -0.0009427500000000 ] - [ -0.0012715000000000, 0.0007771100000000, -0.0009427500000000 ] - [ -0.0010390900000000, 0.0000000000000000, -0.0001222500000000 ] - [ -0.0017562100000000, 0.0015211100000000, 0.0034740600000000 ] - [ -0.0017562100000000, -0.0015211100000000, 0.0034740600000000 ] - [ -0.0004149300000000, 0.0000000000000000, 0.0006145300000000 ] - [ -0.0003773100000000, 0.0001611200000000, -0.0012356000000000 ] - [ -0.0003773100000000, -0.0001611200000000, -0.0012356000000000 ] - [ -0.0003341000000000, 0.0000000000000000, -0.0005486400000000 ] - [ 0.0007102100000000, 0.0000000000000000, -0.0030760300000000 ] - [ 0.0003898200000000, -0.0006407600000000, -0.0006927000000000 ] - [ 0.0003898200000000, 0.0006407600000000, -0.0006927000000000 ] - [ 0.0004556600000000, 0.0000000000000000, 0.0109648800000000 ] - [ 0.0000804600000000, 0.0009731000000000, 0.0001049700000000 ] - [ 0.0000804600000000, -0.0009731000000000, 0.0001049700000000 ] - [ -0.0014269200000000, 0.0000000000000000, 0.0028900500000000 ] - [ -0.0003585300000000, -0.0000070800000000, 0.0009199600000000 ] - [ -0.0003585300000000, 0.0000070800000000, 0.0009199600000000 ] - [ -0.0000454600000000, 0.0000000000000000, -0.0013451300000000 ] - [ -0.0002969500000000, -0.0000203300000000, -0.0007402700000000 ] - [ -0.0002969500000000, 0.0000203300000000, -0.0007402700000000 ] - [ 0.0001229600000000, 0.0005264100000000, -0.0008546100000000 ] - [ 0.0001229600000000, -0.0005264100000000, -0.0008546100000000 ] - [ 0.0004602900000000, 0.0000000000000000, -0.0002770100000000 ] - [ 0.0006824500000000, -0.0004085800000000, 0.0002673000000000 ] - [ 0.0006824500000000, 0.0004085800000000, 0.0002673000000000 ] - [ 0.0003698800000000, 0.0000000000000000, 0.0002757100000000 ]- atom: 1 displacement: [ 0.0014015352162634, 0.0000000000000000, -0.0099012978461196 ] forces: - [ -0.0049354500000000, 0.0000000000000000, 0.0586308600000000 ] - [ -0.0015873600000000, 0.0000493600000000, 0.0037375600000000 ] - [ -0.0015873600000000, -0.0000493600000000, 0.0037375600000000 ] - [ 0.0003356900000000, 0.0000000000000000, -0.0037075000000000 ] - [ 0.0003229200000000, 0.0001890800000000, -0.0014122500000000 ] - [ 0.0003229200000000, -0.0001890800000000, -0.0014122500000000 ] - [ -0.0026150900000000, 0.0060490600000000, -0.0059848100000000 ] - [ -0.0026150900000000, -0.0060490600000000, -0.0059848100000000 ] - [ -0.0004374800000000, 0.0000000000000000, -0.0001783100000000 ] - [ 0.0025059600000000, -0.0034158000000000, -0.0032578200000000 ] - [ 0.0025059600000000, 0.0034158000000000, -0.0032578200000000 ] - [ 0.0003021400000000, 0.0000000000000000, -0.0004422200000000 ] - [ 0.0018318300000000, 0.0004985000000000, 0.0043829100000000 ] - [ 0.0018318300000000, -0.0004985000000000, 0.0043829100000000 ] - [ 0.0003887200000000, 0.0000000000000000, 0.0011896400000000 ] - [ -0.0001263300000000, -0.0000994400000000, -0.0018141200000000 ] - [ -0.0001263300000000, 0.0000994400000000, -0.0018141200000000 ] - [ 0.0001603100000000, 0.0000000000000000, -0.0007923600000000 ] - [ 0.0011999200000000, 0.0000000000000000, -0.0022534000000000 ] - [ 0.0004837200000000, -0.0015604200000000, -0.0007954400000000 ] - [ 0.0004837200000000, 0.0015604200000000, -0.0007954400000000 ] - [ -0.0039637200000000, 0.0000000000000000, -0.0020625900000000 ] - [ -0.0005167200000000, 0.0008748100000000, -0.0001375900000000 ] - [ -0.0005167200000000, -0.0008748100000000, -0.0001375900000000 ] - [ 0.0086858700000000, 0.0019283500000000, -0.0042644100000000 ] - [ 0.0086858700000000, -0.0019283500000000, -0.0042644100000000 ] - [ -0.0006566400000000, 0.0000000000000000, 0.0001949700000000 ] - [ 0.0005085400000000, -0.0001527300000000, -0.0003831900000000 ] - [ 0.0005085400000000, 0.0001527300000000, -0.0003831900000000 ] - [ 0.0003584100000000, 0.0000000000000000, -0.0001582700000000 ] - [ -0.0137187900000000, 0.0000000000000000, 0.0037782700000000 ] - [ -0.0012088600000000, 0.0002296600000000, 0.0005019400000000 ] - [ -0.0012088600000000, -0.0002296600000000, 0.0005019400000000 ] - [ 0.0016835900000000, 0.0000000000000000, -0.0002588300000000 ] - [ 0.0010916400000000, -0.0001115800000000, -0.0003045500000000 ] - [ 0.0010916400000000, 0.0001115800000000, -0.0003045500000000 ] - [ 0.0023394800000000, 0.0059802000000000, -0.0085281000000000 ] - [ 0.0023394800000000, -0.0059802000000000, -0.0085281000000000 ] - [ 0.0015994000000000, 0.0000000000000000, -0.0009785400000000 ] - [ 0.0009394400000000, 0.0005532800000000, 0.0013080400000000 ] - [ 0.0009394400000000, -0.0005532800000000, 0.0013080400000000 ] - [ 0.0009919500000000, 0.0000000000000000, 0.0002018200000000 ] - [ -0.0022526600000000, 0.0000000000000000, -0.0105294500000000 ] - [ -0.0003553800000000, 0.0007369900000000, -0.0005504500000000 ] - [ -0.0003553800000000, -0.0007369900000000, -0.0005504500000000 ] - [ -0.0025809300000000, 0.0000000000000000, 0.0021422300000000 ] - [ -0.0018286700000000, -0.0006087000000000, 0.0012696600000000 ] - [ -0.0018286700000000, 0.0006087000000000, 0.0012696600000000 ] - [ 0.0107077300000000, 0.0000000000000000, -0.0056809900000000 ] - [ 0.0015582500000000, -0.0000101800000000, -0.0015302600000000 ] - [ 0.0015582500000000, 0.0000101800000000, -0.0015302600000000 ] - [ 0.0000668200000000, 0.0000000000000000, 0.0010581500000000 ] - [ 0.0005374300000000, -0.0000326500000000, 0.0003176200000000 ] - [ 0.0005374300000000, 0.0000326500000000, 0.0003176200000000 ] - [ -0.0067174600000000, -0.0007561100000000, 0.0017796900000000 ] - [ -0.0067174600000000, 0.0007561100000000, 0.0017796900000000 ] - [ -0.0008331200000000, 0.0000000000000000, -0.0001858900000000 ] - [ -0.0010561900000000, 0.0007808400000000, 0.0016559000000000 ] - [ -0.0010561900000000, -0.0007808400000000, 0.0016559000000000 ] - [ -0.0012935900000000, 0.0000000000000000, 0.0008325700000000 ] - [ 0.0011876800000000, -0.0015520400000000, -0.0035147800000000 ] - [ 0.0011876800000000, 0.0015520400000000, -0.0035147800000000 ] - [ -0.0001777700000000, 0.0000000000000000, -0.0006433500000000 ] - [ -0.0002178800000000, -0.0001581300000000, 0.0012084800000000 ] - [ -0.0002178800000000, 0.0001581300000000, 0.0012084800000000 ] - [ -0.0002585500000000, 0.0000000000000000, 0.0005250700000000 ] - [ -0.0001068400000000, 0.0000000000000000, 0.0030707400000000 ] - [ 0.0002047600000000, 0.0006387300000000, 0.0007227300000000 ] - [ 0.0002047600000000, -0.0006387300000000, 0.0007227300000000 ] - [ 0.0001127600000000, 0.0000000000000000, -0.0116492200000000 ] - [ 0.0005121900000000, -0.0009782300000000, -0.0000822200000000 ] - [ 0.0005121900000000, 0.0009782300000000, -0.0000822200000000 ] - [ 0.0008445400000000, 0.0000000000000000, -0.0029297400000000 ] - [ -0.0002343400000000, 0.0000094900000000, -0.0009495900000000 ] - [ -0.0002343400000000, -0.0000094900000000, -0.0009495900000000 ] - [ -0.0005429500000000, 0.0000000000000000, 0.0013200400000000 ] - [ -0.0002955500000000, 0.0000191700000000, 0.0007160400000000 ] - [ -0.0002955500000000, -0.0000191700000000, 0.0007160400000000 ] - [ 0.0004674400000000, -0.0005266400000000, 0.0008846500000000 ] - [ 0.0004674400000000, 0.0005266400000000, 0.0008846500000000 ] - [ 0.0001320800000000, 0.0000000000000000, 0.0003056500000000 ] - [ -0.0000914600000000, 0.0004072900000000, -0.0002493000000000 ] - [ -0.0000914600000000, -0.0004072900000000, -0.0002493000000000 ] - [ 0.0002227300000000, 0.0000000000000000, -0.0002520200000000 ]- atom: 25 displacement: [ 0.0099999597509991, 0.0000000000000000, -0.0000283721412356 ] forces: - [ 0.0075569100000000, 0.0165124800000000, -0.0075868900000000 ] - [ -0.0003581500000000, 0.0000000000000000, 0.0007561900000000 ] - [ 0.0075569100000000, -0.0165124800000000, -0.0075868900000000 ] - [ -0.0004691400000000, 0.0000134700000000, -0.0004414600000000 ] - [ 0.0000620700000000, 0.0000000000000000, -0.0002142300000000 ] - [ -0.0004691400000000, -0.0000134700000000, -0.0004414600000000 ] - [ 0.0158418000000000, 0.0000000000000000, 0.0160399400000000 ] - [ 0.0005694800000000, 0.0007975900000000, 0.0011689500000000 ] - [ 0.0005694800000000, -0.0007975900000000, 0.0011689500000000 ] - [ 0.0007264100000000, 0.0000000000000000, -0.0017381800000000 ] - [ 0.0002335900000000, 0.0003657000000000, -0.0012093200000000 ] - [ 0.0002335900000000, -0.0003657000000000, -0.0012093200000000 ] - [ 0.0160226900000000, 0.0000000000000000, 0.0161856400000000 ] - [ 0.0008226000000000, -0.0007871200000000, 0.0014791500000000 ] - [ 0.0008226000000000, 0.0007871200000000, 0.0014791500000000 ] - [ 0.0009760300000000, 0.0000000000000000, -0.0014146000000000 ] - [ 0.0004778800000000, -0.0003652500000000, -0.0008921200000000 ] - [ 0.0004778800000000, 0.0003652500000000, -0.0008921200000000 ] - [ 0.0073293900000000, -0.0164096900000000, -0.0078175700000000 ] - [ -0.0005985100000000, 0.0000000000000000, 0.0004392500000000 ] - [ 0.0073293900000000, 0.0164096900000000, -0.0078175700000000 ] - [ -0.0007083300000000, -0.0000118600000000, -0.0007563500000000 ] - [ -0.0001805500000000, 0.0000000000000000, -0.0005307800000000 ] - [ -0.0007083300000000, 0.0000118600000000, -0.0007563500000000 ] - [ -1.2234870300000000, 0.0000000000000000, 0.3686876100000000 ] - [ -0.0076082900000000, -0.0000045000000000, 0.0020920900000000 ] - [ -0.0076082900000000, 0.0000045000000000, 0.0020920900000000 ] - [ -0.0001233200000000, 0.0000000000000000, -0.0000764800000000 ] - [ -0.0001089900000000, -0.0000000600000000, -0.0000376300000000 ] - [ -0.0001089900000000, 0.0000000600000000, -0.0000376300000000 ] - [ 0.0128170300000000, -0.0000075600000000, -0.0053928800000000 ] - [ 0.0000680300000000, 0.0000000000000000, 0.0000972300000000 ] - [ 0.0128170300000000, 0.0000075600000000, -0.0053928800000000 ] - [ 0.0010715500000000, 0.0000000200000000, -0.0002508200000000 ] - [ 0.0007704300000000, 0.0000000000000000, -0.0002123200000000 ] - [ 0.0010715500000000, -0.0000000200000000, -0.0002508200000000 ] - [ 0.6097833800000000, 0.0000000000000000, -0.1896296800000000 ] - [ 0.0056433100000000, -0.0027422200000000, -0.0027903600000000 ] - [ 0.0056433100000000, 0.0027422200000000, -0.0027903600000000 ] - [ 0.0014860800000000, 0.0000000000000000, 0.0003195600000000 ] - [ 0.0013176600000000, -0.0000584500000000, 0.0001060000000000 ] - [ 0.0013176600000000, 0.0000584500000000, 0.0001060000000000 ] - [ -0.0124370500000000, -0.0034149500000000, 0.0012685200000000 ] - [ -0.0013926100000000, 0.0000000000000000, -0.0002599000000000 ] - [ -0.0124370500000000, 0.0034149500000000, 0.0012685200000000 ] - [ -0.0019440700000000, -0.0001064400000000, 0.0009217500000000 ] - [ -0.0016312300000000, 0.0000000000000000, 0.0008522300000000 ] - [ -0.0019440700000000, 0.0001064400000000, 0.0009217500000000 ] - [ -0.0100850100000000, 0.0033787200000000, 0.0005665900000000 ] - [ 0.0009433900000000, 0.0000000000000000, -0.0009723400000000 ] - [ -0.0100850100000000, -0.0033787200000000, 0.0005665900000000 ] - [ 0.0003923900000000, 0.0001048100000000, 0.0002089800000000 ] - [ 0.0007041900000000, 0.0000000000000000, 0.0001408700000000 ] - [ 0.0003923900000000, -0.0001048100000000, 0.0002089800000000 ] - [ 0.5664268500000000, 0.0000000000000000, -0.1720110200000000 ] - [ 0.0033024800000000, 0.0027443600000000, -0.0020794000000000 ] - [ 0.0033024800000000, -0.0027443600000000, -0.0020794000000000 ] - [ -0.0008484500000000, 0.0000000000000000, 0.0010285300000000 ] - [ -0.0010171200000000, 0.0000586700000000, 0.0008169000000000 ] - [ -0.0010171200000000, -0.0000586700000000, 0.0008169000000000 ] - [ -0.0054256300000000, 0.0000000000000000, 0.0007225100000000 ] - [ -0.0019506900000000, -0.0015598800000000, 0.0004291100000000 ] - [ -0.0019506900000000, 0.0015598800000000, 0.0004291100000000 ] - [ -0.0005435400000000, 0.0000000000000000, -0.0010367000000000 ] - [ -0.0004899000000000, 0.0000303500000000, 0.0001772500000000 ] - [ -0.0004899000000000, -0.0000303500000000, 0.0001772500000000 ] - [ 0.0045937400000000, -0.0000088900000000, -0.0014008700000000 ] - [ 0.0004458200000000, 0.0000000000000000, -0.0001096200000000 ] - [ 0.0045937400000000, 0.0000088900000000, -0.0014008700000000 ] - [ 0.0005057800000000, -0.0003404100000000, 0.0018250200000000 ] - [ 0.0004802800000000, 0.0000000000000000, 0.0002619100000000 ] - [ 0.0005057800000000, 0.0003404100000000, 0.0018250200000000 ] - [ 0.0039882900000000, 0.0000100500000000, -0.0014342200000000 ] - [ -0.0001499900000000, 0.0000000000000000, -0.0001372000000000 ] - [ 0.0039882900000000, -0.0000100500000000, -0.0014342200000000 ] - [ -0.0000903900000000, 0.0003399400000000, 0.0017964400000000 ] - [ -0.0001143100000000, 0.0000000000000000, 0.0002341900000000 ] - [ -0.0000903900000000, -0.0003399400000000, 0.0017964400000000 ] - [ -0.0048357800000000, 0.0000000000000000, 0.0007202800000000 ] - [ -0.0013628100000000, 0.0015591000000000, 0.0004542000000000 ] - [ -0.0013628100000000, -0.0015591000000000, 0.0004542000000000 ] - [ 0.0000462600000000, 0.0000000000000000, -0.0009950900000000 ] - [ 0.0001023900000000, -0.0000297300000000, 0.0002050600000000 ] - [ 0.0001023900000000, 0.0000297300000000, 0.0002050600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028297400000000, 0.0019224800000000, -0.0014594300000000 ] - [ 0.0001226400000000, -0.0002674100000000, 0.0001589400000000 ] - [ -0.0025385900000000, 0.0018991400000000, 0.0017263000000000 ] - [ 0.0000807600000000, 0.0000123400000000, 0.0003098900000000 ] - [ 0.0001215800000000, -0.0000255300000000, 0.0001599700000000 ] - [ 0.0001627200000000, 0.0000141900000000, 0.0000126800000000 ] - [ -0.0001248300000000, 0.0004566800000000, -0.0001580600000000 ] - [ 0.0001612000000000, -0.0001378800000000, -0.0003521000000000 ] - [ -0.0004015400000000, -0.0001379400000000, 0.0000325500000000 ] - [ -0.0001211300000000, 0.0000966700000000, -0.0001576700000000 ] - [ -0.0001450600000000, -0.0000480200000000, -0.0000504100000000 ] - [ -0.0000986900000000, -0.0000469000000000, -0.0002686700000000 ] - [ 0.0001248300000000, 0.0004566800000000, 0.0001580600000000 ] - [ -0.0001612000000000, -0.0001378800000000, 0.0003521000000000 ] - [ 0.0004015400000000, -0.0001379400000000, -0.0000325500000000 ] - [ 0.0001211300000000, 0.0000966700000000, 0.0001576700000000 ] - [ 0.0001450600000000, -0.0000480200000000, 0.0000504100000000 ] - [ 0.0000986900000000, -0.0000469000000000, 0.0002686700000000 ] - [ -0.0028297400000000, 0.0019224800000000, 0.0014594300000000 ] - [ -0.0001226400000000, -0.0002674100000000, -0.0001589400000000 ] - [ 0.0025385900000000, 0.0018991400000000, -0.0017263000000000 ] - [ -0.0000807600000000, 0.0000123400000000, -0.0003098900000000 ] - [ -0.0001215800000000, -0.0000255300000000, -0.0001599700000000 ] - [ -0.0001627200000000, 0.0000141900000000, -0.0000126800000000 ] - [ 0.0000000000000000, -0.1314746100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001269400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001278100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000043900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000062900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000062700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003632100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000234800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003649100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000036200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000091000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000037300000000, 0.0000000000000000 ] - [ -0.0007816300000000, 0.0592987200000000, 0.0003074200000000 ] - [ 0.0011290100000000, 0.0000388000000000, -0.0002454200000000 ] - [ 0.0012049500000000, 0.0000415100000000, -0.0004651000000000 ] - [ 0.0011648900000000, -0.0000259800000000, -0.0003553000000000 ] - [ 0.0011611800000000, 0.0000123500000000, -0.0003741300000000 ] - [ 0.0011696900000000, 0.0000120500000000, -0.0003362400000000 ] - [ -0.0008889200000000, 0.0003329600000000, 0.0008810900000000 ] - [ -0.0011691000000000, 0.0001148200000000, 0.0003561700000000 ] - [ -0.0014406900000000, 0.0003263100000000, -0.0001711300000000 ] - [ -0.0011680400000000, -0.0000144400000000, 0.0003411900000000 ] - [ -0.0011665300000000, 0.0000309100000000, 0.0003554400000000 ] - [ -0.0011659100000000, -0.0000154700000000, 0.0003695400000000 ] - [ 0.0008889200000000, 0.0003329600000000, -0.0008810900000000 ] - [ 0.0011691000000000, 0.0001148200000000, -0.0003561700000000 ] - [ 0.0014406900000000, 0.0003263100000000, 0.0001711300000000 ] - [ 0.0011680400000000, -0.0000144400000000, -0.0003411900000000 ] - [ 0.0011665300000000, 0.0000309100000000, -0.0003554400000000 ] - [ 0.0011659100000000, -0.0000154700000000, -0.0003695400000000 ] - [ 0.0007816300000000, 0.0592987200000000, -0.0003074200000000 ] - [ -0.0011290100000000, 0.0000388000000000, 0.0002454200000000 ] - [ -0.0012049500000000, 0.0000415100000000, 0.0004651000000000 ] - [ -0.0011648900000000, -0.0000259800000000, 0.0003553000000000 ] - [ -0.0011611800000000, 0.0000123500000000, 0.0003741300000000 ] - [ -0.0011696900000000, 0.0000120500000000, 0.0003362400000000 ] - [ -0.0002932400000000, -0.0002834200000000, -0.0000127800000000 ] - [ -0.0000542100000000, 0.0002747500000000, -0.0001232800000000 ] - [ -0.0005389600000000, 0.0002745800000000, 0.0001081200000000 ] - [ -0.0002974700000000, 0.0000681900000000, -0.0000059200000000 ] - [ -0.0003568600000000, -0.0000233300000000, 0.0000020300000000 ] - [ -0.0002359800000000, -0.0000233000000000, -0.0000184200000000 ] - [ 0.0005504300000000, 0.0005616000000000, 0.0007556400000000 ] - [ 0.0002960100000000, 0.0000245800000000, 0.0000074000000000 ] - [ 0.0000411400000000, 0.0005482800000000, -0.0007371300000000 ] - [ 0.0002486800000000, -0.0000533400000000, -0.0001810800000000 ] - [ 0.0002959800000000, 0.0000567700000000, 0.0000080300000000 ] - [ 0.0003423400000000, -0.0000548600000000, 0.0001965200000000 ] - [ -0.0005504300000000, 0.0005616000000000, -0.0007556400000000 ] - [ -0.0002960100000000, 0.0000245800000000, -0.0000074000000000 ] - [ -0.0000411400000000, 0.0005482800000000, 0.0007371300000000 ] - [ -0.0002486800000000, -0.0000533400000000, 0.0001810800000000 ] - [ -0.0002959800000000, 0.0000567700000000, -0.0000080300000000 ] - [ -0.0003423400000000, -0.0000548600000000, -0.0001965200000000 ] - [ 0.0002932400000000, -0.0002834200000000, 0.0000127800000000 ] - [ 0.0000542100000000, 0.0002747500000000, 0.0001232800000000 ] - [ 0.0005389600000000, 0.0002745800000000, -0.0001081200000000 ] - [ 0.0002974700000000, 0.0000681900000000, 0.0000059200000000 ] - [ 0.0003568600000000, -0.0000233300000000, -0.0000020300000000 ] - [ 0.0002359800000000, -0.0000233000000000, 0.0000184200000000 ]- atom: 25 displacement: [ -0.0014015352162634, 0.0000000000000000, 0.0099012978461196 ] forces: - [ -0.0045461800000000, -0.0082288300000000, 0.0049987900000000 ] - [ 0.0002715800000000, 0.0000000000000000, -0.0001079200000000 ] - [ -0.0045461800000000, 0.0082288300000000, 0.0049987900000000 ] - [ 0.0004046800000000, -0.0000575400000000, 0.0006552100000000 ] - [ 0.0001278900000000, 0.0000000000000000, 0.0003684000000000 ] - [ 0.0004046800000000, 0.0000575400000000, 0.0006552100000000 ] - [ -0.0025927300000000, 0.0000000000000000, -0.0062201300000000 ] - [ -0.0002044300000000, -0.0002526100000000, -0.0008497700000000 ] - [ -0.0002044300000000, 0.0002526100000000, -0.0008497700000000 ] - [ -0.0005328000000000, 0.0000000000000000, 0.0002774400000000 ] - [ -0.0002537300000000, -0.0001415000000000, 0.0002815700000000 ] - [ -0.0002537300000000, 0.0001415000000000, 0.0002815700000000 ] - [ -0.0024123200000000, 0.0000000000000000, -0.0058864400000000 ] - [ 0.0000336600000000, 0.0002474400000000, -0.0005238900000000 ] - [ 0.0000336600000000, -0.0002474400000000, -0.0005238900000000 ] - [ -0.0002934600000000, 0.0000000000000000, 0.0005977500000000 ] - [ -0.0000113100000000, 0.0001425400000000, 0.0005982000000000 ] - [ -0.0000113100000000, -0.0001425400000000, 0.0005982000000000 ] - [ -0.0048157100000000, 0.0082925500000000, 0.0046394400000000 ] - [ 0.0000277500000000, 0.0000000000000000, -0.0004274800000000 ] - [ -0.0048157100000000, -0.0082925500000000, 0.0046394400000000 ] - [ 0.0001584100000000, 0.0000569300000000, 0.0003344600000000 ] - [ -0.0001152500000000, 0.0000000000000000, 0.0000520000000000 ] - [ 0.0001584100000000, -0.0000569300000000, 0.0003344600000000 ] - [ 0.5351312900000000, 0.0000000000000000, -0.3021606300000000 ] - [ 0.0031342000000000, -0.0000018500000000, -0.0009510700000000 ] - [ 0.0031342000000000, 0.0000018500000000, -0.0009510700000000 ] - [ -0.0000595400000000, 0.0000000000000000, 0.0000669100000000 ] - [ -0.0000193400000000, 0.0000000600000000, 0.0000317600000000 ] - [ -0.0000193400000000, -0.0000000600000000, 0.0000317600000000 ] - [ -0.0071260100000000, 0.0000049000000000, 0.0030653500000000 ] - [ 0.0000844000000000, 0.0000000000000000, -0.0000608100000000 ] - [ -0.0071260100000000, -0.0000049000000000, 0.0030653500000000 ] - [ -0.0003984700000000, -0.0000000600000000, 0.0000814200000000 ] - [ -0.0003183000000000, 0.0000000000000000, 0.0000930800000000 ] - [ -0.0003984700000000, 0.0000000600000000, 0.0000814200000000 ] - [ -0.2548170800000000, 0.0000000000000000, 0.1435713100000000 ] - [ -0.0005991500000000, 0.0011362200000000, 0.0006932300000000 ] - [ -0.0005991500000000, -0.0011362200000000, 0.0006932300000000 ] - [ 0.0010907100000000, 0.0000000000000000, -0.0006638300000000 ] - [ 0.0011471900000000, 0.0000172300000000, -0.0005811400000000 ] - [ 0.0011471900000000, -0.0000172300000000, -0.0005811400000000 ] - [ 0.0049569100000000, 0.0021840500000000, -0.0003273600000000 ] - [ -0.0011505500000000, 0.0000000000000000, 0.0006592300000000 ] - [ 0.0049569100000000, -0.0021840500000000, -0.0003273600000000 ] - [ -0.0008844500000000, 0.0000403300000000, 0.0001361500000000 ] - [ -0.0009837300000000, 0.0000000000000000, 0.0001240800000000 ] - [ -0.0008844500000000, -0.0000403300000000, 0.0001361500000000 ] - [ 0.0072906200000000, -0.0021668900000000, -0.0010434600000000 ] - [ 0.0011862800000000, 0.0000000000000000, -0.0000531700000000 ] - [ 0.0072906200000000, 0.0021668900000000, -0.0010434600000000 ] - [ 0.0014524800000000, -0.0000398400000000, -0.0005758400000000 ] - [ 0.0013524800000000, 0.0000000000000000, -0.0005877000000000 ] - [ 0.0014524800000000, 0.0000398400000000, -0.0005758400000000 ] - [ -0.2647608000000000, 0.0000000000000000, 0.1427712600000000 ] - [ -0.0029358200000000, -0.0011355000000000, 0.0014088500000000 ] - [ -0.0029358200000000, 0.0011355000000000, 0.0014088500000000 ] - [ -0.0012430600000000, 0.0000000000000000, 0.0000476400000000 ] - [ -0.0011869000000000, -0.0000177900000000, 0.0001298800000000 ] - [ -0.0011869000000000, 0.0000177900000000, 0.0001298800000000 ] - [ 0.0015565400000000, 0.0000000000000000, -0.0000941900000000 ] - [ 0.0003287900000000, 0.0006077200000000, -0.0001749200000000 ] - [ 0.0003287900000000, -0.0006077200000000, -0.0001749200000000 ] - [ -0.0004052400000000, 0.0000000000000000, 0.0007469300000000 ] - [ -0.0002763900000000, -0.0000459900000000, -0.0001364200000000 ] - [ -0.0002763900000000, 0.0000459900000000, -0.0001364200000000 ] - [ -0.0014827300000000, 0.0007033400000000, 0.0015569600000000 ] - [ 0.0002406200000000, 0.0000000000000000, 0.0000764400000000 ] - [ -0.0014827300000000, -0.0007033400000000, 0.0015569600000000 ] - [ 0.0003027400000000, 0.0000933600000000, -0.0007686900000000 ] - [ 0.0002372500000000, 0.0000000000000000, -0.0000927800000000 ] - [ 0.0003027400000000, -0.0000933600000000, -0.0007686900000000 ] - [ -0.0020688300000000, -0.0006993500000000, 0.0015156900000000 ] - [ -0.0003519600000000, 0.0000000000000000, 0.0000501600000000 ] - [ -0.0020688300000000, 0.0006993500000000, 0.0015156900000000 ] - [ -0.0002894900000000, -0.0000960600000000, -0.0007953500000000 ] - [ -0.0003562400000000, 0.0000000000000000, -0.0001168500000000 ] - [ -0.0002894900000000, 0.0000960600000000, -0.0007953500000000 ] - [ 0.0021857500000000, 0.0000000000000000, -0.0000712900000000 ] - [ 0.0009260000000000, -0.0006091400000000, -0.0001487600000000 ] - [ 0.0009260000000000, 0.0006091400000000, -0.0001487600000000 ] - [ 0.0001897400000000, 0.0000000000000000, 0.0007622700000000 ] - [ 0.0003186400000000, 0.0000452900000000, -0.0001111200000000 ] - [ 0.0003186400000000, -0.0000452900000000, -0.0001111200000000 ]- atom: 37 displacement: [ 0.0099999597509991, 0.0000000000000000, -0.0000283721412356 ] forces: - [ 0.0029206600000000, 0.0003555500000000, -0.0007709700000000 ] - [ 0.0005397000000000, 0.0000000000000000, -0.0002237700000000 ] - [ 0.0029206600000000, -0.0003555500000000, -0.0007709700000000 ] - [ 0.0006447400000000, -0.0001481100000000, 0.0004667500000000 ] - [ 0.0001832400000000, 0.0000000000000000, 0.0003445300000000 ] - [ 0.0006447400000000, 0.0001481100000000, 0.0004667500000000 ] - [ 0.0036324300000000, 0.0000000000000000, 0.0018485100000000 ] - [ -0.0003314300000000, -0.0007715800000000, -0.0010079800000000 ] - [ -0.0003314300000000, 0.0007715800000000, -0.0010079800000000 ] - [ -0.0005007500000000, 0.0000000000000000, 0.0012136300000000 ] - [ -0.0003495500000000, -0.0002604800000000, 0.0004776200000000 ] - [ -0.0003495500000000, 0.0002604800000000, 0.0004776200000000 ] - [ -0.0091392100000000, 0.0000000000000000, -0.0107542600000000 ] - [ -0.0006630700000000, 0.0005610000000000, -0.0003493900000000 ] - [ -0.0006630700000000, -0.0005610000000000, -0.0003493900000000 ] - [ -0.0005620700000000, 0.0000000000000000, 0.0011628600000000 ] - [ -0.0001313900000000, 0.0002079700000000, 0.0007527400000000 ] - [ -0.0001313900000000, -0.0002079700000000, 0.0007527400000000 ] - [ -0.0036582400000000, 0.0117675300000000, 0.0049176100000000 ] - [ 0.0001159600000000, 0.0000000000000000, -0.0004589500000000 ] - [ -0.0036582400000000, -0.0117675300000000, 0.0049176100000000 ] - [ 0.0002253600000000, 0.0000198000000000, -0.0002194800000000 ] - [ -0.0000466300000000, 0.0000000000000000, -0.0000178700000000 ] - [ 0.0002253600000000, -0.0000198000000000, -0.0002194800000000 ] - [ 0.5677357600000000, 0.0000000000000000, -0.1715334400000000 ] - [ 0.0044534400000000, 0.0000407700000000, -0.0011486400000000 ] - [ 0.0044534400000000, -0.0000407700000000, -0.0011486400000000 ] - [ 0.0003158100000000, 0.0000000000000000, -0.0000321800000000 ] - [ 0.0001518700000000, 0.0000029300000000, 0.0000026200000000 ] - [ 0.0001518700000000, -0.0000029300000000, 0.0000026200000000 ] - [ -0.0112173100000000, 0.0002717400000000, 0.0045827000000000 ] - [ -0.0002266400000000, 0.0000000000000000, -0.0000147700000000 ] - [ -0.0112173100000000, -0.0002717400000000, 0.0045827000000000 ] - [ -0.0007740600000000, -0.0000006900000000, 0.0001764200000000 ] - [ -0.0004627700000000, 0.0000000000000000, 0.0001201500000000 ] - [ -0.0007740600000000, 0.0000006900000000, 0.0001764200000000 ] - [ -0.6617914400000000, 0.0000000000000000, 0.2007958500000000 ] - [ -0.0016495300000000, 0.0014903400000000, 0.0011344800000000 ] - [ -0.0016495300000000, -0.0014903400000000, 0.0011344800000000 ] - [ 0.0007576900000000, 0.0000000000000000, -0.0007285600000000 ] - [ 0.0010127900000000, 0.0000513400000000, -0.0005937800000000 ] - [ 0.0010127900000000, -0.0000513400000000, -0.0005937800000000 ] - [ 0.0085869100000000, 0.0042685400000000, -0.0003771000000000 ] - [ -0.0009324400000000, 0.0000000000000000, 0.0006567500000000 ] - [ 0.0085869100000000, -0.0042685400000000, -0.0003771000000000 ] - [ -0.0006267800000000, 0.0001538500000000, 0.0000236900000000 ] - [ -0.0008792800000000, 0.0000000000000000, 0.0000900500000000 ] - [ -0.0006267800000000, -0.0001538500000000, 0.0000236900000000 ] - [ 0.0104881900000000, -0.0027103200000000, -0.0013696000000000 ] - [ 0.0014288700000000, 0.0000000000000000, -0.0000680800000000 ] - [ 0.0104881900000000, 0.0027103200000000, -0.0013696000000000 ] - [ 0.0017405200000000, -0.0000479900000000, -0.0006530100000000 ] - [ 0.0014542300000000, 0.0000000000000000, -0.0006142700000000 ] - [ 0.0017405200000000, 0.0000479900000000, -0.0006530100000000 ] - [ 0.0827788200000000, 0.0000000000000000, -0.0346039100000000 ] - [ -0.0038973100000000, -0.0016666200000000, 0.0018373800000000 ] - [ -0.0038973100000000, 0.0016666200000000, 0.0018373800000000 ] - [ -0.0015000100000000, 0.0000000000000000, 0.0000744400000000 ] - [ -0.0013140400000000, -0.0000486700000000, 0.0001307200000000 ] - [ -0.0013140400000000, 0.0000486700000000, 0.0001307200000000 ] - [ 0.0045648000000000, 0.0000000000000000, -0.0026190600000000 ] - [ 0.0007186200000000, 0.0008991800000000, -0.0002761700000000 ] - [ 0.0007186200000000, -0.0008991800000000, -0.0002761700000000 ] - [ -0.0001932100000000, 0.0000000000000000, 0.0014767900000000 ] - [ -0.0001768700000000, 0.0000194100000000, -0.0000945900000000 ] - [ -0.0001768700000000, -0.0000194100000000, -0.0000945900000000 ] - [ -0.0021914800000000, 0.0006921600000000, 0.0011340300000000 ] - [ 0.0001560000000000, 0.0000000000000000, 0.0000743900000000 ] - [ -0.0021914800000000, -0.0006921600000000, 0.0011340300000000 ] - [ -0.0000369800000000, 0.0001702600000000, -0.0010773500000000 ] - [ 0.0001568700000000, 0.0000000000000000, -0.0001356900000000 ] - [ -0.0000369800000000, -0.0001702600000000, -0.0010773500000000 ] - [ -0.0016530000000000, -0.0007561900000000, 0.0008589900000000 ] - [ -0.0003766100000000, 0.0000000000000000, 0.0000596600000000 ] - [ -0.0016530000000000, 0.0007561900000000, 0.0008589900000000 ] - [ -0.0004366400000000, -0.0002024900000000, -0.0011481500000000 ] - [ -0.0003991900000000, 0.0000000000000000, -0.0001522800000000 ] - [ -0.0004366400000000, 0.0002024900000000, -0.0011481500000000 ] - [ 0.0048602300000000, 0.0000000000000000, -0.0010356900000000 ] - [ 0.0014132800000000, -0.0009280400000000, -0.0002271700000000 ] - [ 0.0014132800000000, 0.0009280400000000, -0.0002271700000000 ] - [ 0.0007942400000000, 0.0000000000000000, 0.0007355800000000 ] - [ 0.0005191100000000, -0.0000516700000000, -0.0000125400000000 ] - [ 0.0005191100000000, 0.0000516700000000, -0.0000125400000000 ]- atom: 37 displacement: [ -0.0099999597509991, 0.0000000000000000, 0.0000283721412356 ] forces: - [ -0.0026454400000000, -0.0001725600000000, 0.0009860800000000 ] - [ -0.0002971800000000, 0.0000000000000000, 0.0005431600000000 ] - [ -0.0026454400000000, 0.0001725600000000, 0.0009860800000000 ] - [ -0.0004046700000000, 0.0001438100000000, -0.0001493300000000 ] - [ 0.0000590700000000, 0.0000000000000000, -0.0000293300000000 ] - [ -0.0004046700000000, -0.0001438100000000, -0.0001493300000000 ] - [ -0.0035510700000000, 0.0000000000000000, -0.0016892400000000 ] - [ 0.0000987900000000, 0.0007743500000000, 0.0006961300000000 ] - [ 0.0000987900000000, -0.0007743500000000, 0.0006961300000000 ] - [ 0.0002609100000000, 0.0000000000000000, -0.0015417100000000 ] - [ 0.0001075300000000, 0.0002620600000000, -0.0008002600000000 ] - [ 0.0001075300000000, -0.0002620600000000, -0.0008002600000000 ] - [ 0.0094211600000000, 0.0000000000000000, 0.0111737100000000 ] - [ 0.0009017400000000, -0.0005619200000000, 0.0006795900000000 ] - [ 0.0009017400000000, 0.0005619200000000, 0.0006795900000000 ] - [ 0.0008078300000000, 0.0000000000000000, -0.0008626200000000 ] - [ 0.0003774400000000, -0.0002118600000000, -0.0004429100000000 ] - [ 0.0003774400000000, 0.0002118600000000, -0.0004429100000000 ] - [ 0.0034224200000000, -0.0118675800000000, -0.0052602200000000 ] - [ -0.0003659800000000, 0.0000000000000000, 0.0001469300000000 ] - [ 0.0034224200000000, 0.0118675800000000, -0.0052602200000000 ] - [ -0.0004710100000000, -0.0000197200000000, -0.0001114800000000 ] - [ -0.0001956900000000, 0.0000000000000000, -0.0003043600000000 ] - [ -0.0004710100000000, 0.0000197200000000, -0.0001114800000000 ] - [ -0.6084907200000000, 0.0000000000000000, 0.1880868700000000 ] - [ -0.0044993800000000, -0.0000381100000000, 0.0011620400000000 ] - [ -0.0044993800000000, 0.0000381100000000, 0.0011620400000000 ] - [ -0.0003157500000000, 0.0000000000000000, 0.0000318300000000 ] - [ -0.0001493900000000, -0.0000030700000000, -0.0000039600000000 ] - [ -0.0001493900000000, 0.0000030700000000, -0.0000039600000000 ] - [ 0.0112842000000000, -0.0002694000000000, -0.0046083100000000 ] - [ 0.0002235100000000, 0.0000000000000000, 0.0000164200000000 ] - [ 0.0112842000000000, 0.0002694000000000, -0.0046083100000000 ] - [ 0.0007805400000000, 0.0000006800000000, -0.0001781500000000 ] - [ 0.0004672600000000, 0.0000000000000000, -0.0001214700000000 ] - [ 0.0007805400000000, -0.0000006800000000, -0.0001781500000000 ] - [ 0.7057205300000000, 0.0000000000000000, -0.2190928000000000 ] - [ 0.0040093100000000, -0.0015091000000000, -0.0018582400000000 ] - [ 0.0040093100000000, 0.0015091000000000, -0.0018582400000000 ] - [ 0.0015759300000000, 0.0000000000000000, 0.0000227600000000 ] - [ 0.0013186700000000, -0.0000512100000000, -0.0001130700000000 ] - [ 0.0013186700000000, 0.0000512100000000, -0.0001130700000000 ] - [ -0.0109694300000000, -0.0042671000000000, 0.0010952500000000 ] - [ -0.0014038500000000, 0.0000000000000000, 0.0000501600000000 ] - [ -0.0109694300000000, 0.0042671000000000, 0.0010952500000000 ] - [ -0.0017145600000000, -0.0001538000000000, 0.0006921200000000 ] - [ -0.0014576700000000, 0.0000000000000000, 0.0006241600000000 ] - [ -0.0017145600000000, 0.0001538000000000, 0.0006921200000000 ] - [ -0.0082062100000000, 0.0027291300000000, 0.0006537900000000 ] - [ 0.0009080900000000, 0.0000000000000000, -0.0006489600000000 ] - [ -0.0082062100000000, -0.0027291300000000, 0.0006537900000000 ] - [ 0.0005907800000000, 0.0000499000000000, -0.0000527400000000 ] - [ 0.0008763400000000, 0.0000000000000000, -0.0000925300000000 ] - [ 0.0005907800000000, -0.0000499000000000, -0.0000527400000000 ] - [ -0.0863491800000000, 0.0000000000000000, 0.0360791400000000 ] - [ 0.0015897000000000, 0.0016813300000000, -0.0011439100000000 ] - [ 0.0015897000000000, -0.0016813300000000, -0.0011439100000000 ] - [ -0.0008315100000000, 0.0000000000000000, 0.0006426100000000 ] - [ -0.0010221900000000, 0.0000487000000000, 0.0005852500000000 ] - [ -0.0010221900000000, -0.0000487000000000, 0.0005852500000000 ] - [ -0.0051652900000000, 0.0000000000000000, 0.0025901900000000 ] - [ -0.0013204600000000, -0.0009089800000000, 0.0002541200000000 ] - [ -0.0013204600000000, 0.0009089800000000, 0.0002541200000000 ] - [ -0.0004083300000000, 0.0000000000000000, -0.0014945000000000 ] - [ -0.0004201800000000, -0.0000194100000000, 0.0000705300000000 ] - [ -0.0004201800000000, 0.0000194100000000, 0.0000705300000000 ] - [ 0.0028017900000000, -0.0007053100000000, -0.0011392300000000 ] - [ 0.0004379200000000, 0.0000000000000000, -0.0000510600000000 ] - [ 0.0028017900000000, 0.0007053100000000, -0.0011392300000000 ] - [ 0.0006297900000000, -0.0001729700000000, 0.0011115100000000 ] - [ 0.0004370700000000, 0.0000000000000000, 0.0001617200000000 ] - [ 0.0006297900000000, 0.0001729700000000, 0.0011115100000000 ] - [ 0.0010917600000000, 0.0007424400000000, -0.0008732000000000 ] - [ -0.0002165900000000, 0.0000000000000000, -0.0000847200000000 ] - [ 0.0010917600000000, -0.0007424400000000, -0.0008732000000000 ] - [ -0.0001542000000000, 0.0002055800000000, 0.0011359200000000 ] - [ -0.0001928800000000, 0.0000000000000000, 0.0001294300000000 ] - [ -0.0001542000000000, -0.0002055800000000, 0.0011359200000000 ] - [ -0.0042978300000000, 0.0000000000000000, 0.0010659000000000 ] - [ -0.0008313000000000, 0.0009395000000000, 0.0002546400000000 ] - [ -0.0008313000000000, -0.0009395000000000, 0.0002546400000000 ] - [ -0.0001987900000000, 0.0000000000000000, -0.0007158900000000 ] - [ 0.0000753300000000, 0.0000499100000000, 0.0000401100000000 ] - [ 0.0000753300000000, -0.0000499100000000, 0.0000401100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035553300000000, 0.0131017200000000, -0.0057750200000000 ] - [ 0.0001227000000000, -0.0023466100000000, 0.0001568000000000 ] - [ -0.0030511400000000, 0.0125441800000000, 0.0056763600000000 ] - [ 0.0000205200000000, 0.0002970100000000, -0.0004088700000000 ] - [ 0.0001215800000000, -0.0005307600000000, 0.0001599600000000 ] - [ 0.0002239700000000, 0.0002947400000000, 0.0007338500000000 ] - [ -0.0001421700000000, 0.0058448000000000, -0.0001855800000000 ] - [ -0.0006950400000000, -0.0015294400000000, -0.0009910600000000 ] - [ 0.0004441400000000, -0.0015302300000000, 0.0006614300000000 ] - [ -0.0001250500000000, 0.0009912700000000, -0.0001548500000000 ] - [ -0.0002081800000000, -0.0004930400000000, 0.0004473500000000 ] - [ -0.0000373500000000, -0.0004920300000000, -0.0007541400000000 ] - [ 0.0000914600000000, 0.0018489000000000, 0.0001109000000000 ] - [ 0.0001720700000000, -0.0011286400000000, 0.0001496400000000 ] - [ 0.0000690000000000, -0.0011373300000000, 0.0001585300000000 ] - [ 0.0001206300000000, 0.0004335700000000, 0.0001667800000000 ] - [ 0.0000891600000000, -0.0002136700000000, 0.0001253000000000 ] - [ 0.0001524200000000, -0.0002174100000000, 0.0002001700000000 ] - [ 0.0006238600000000, 0.0006371200000000, -0.0008076100000000 ] - [ -0.0001194400000000, -0.0012129100000000, -0.0001626800000000 ] - [ -0.0008841900000000, 0.0005358200000000, 0.0005253800000000 ] - [ 0.0001819000000000, 0.0003441400000000, 0.0006735600000000 ] - [ -0.0001210500000000, -0.0006626500000000, -0.0001568200000000 ] - [ -0.0004205900000000, 0.0003414300000000, -0.0009851400000000 ] - [ 0.0022978200000000, 0.0593025800000000, -0.0007794300000000 ] - [ 0.0027672400000000, 0.0000382200000000, -0.0007665700000000 ] - [ -0.0027162300000000, 0.0000420200000000, 0.0007522900000000 ] - [ -0.0000009600000000, -0.0000259300000000, 0.0000006000000000 ] - [ 0.0000596100000000, 0.0000121800000000, -0.0000095800000000 ] - [ -0.0000574500000000, 0.0000122900000000, 0.0000091200000000 ] - [ -0.0034181900000000, 0.0003273400000000, 0.0017282700000000 ] - [ -0.0000008200000000, 0.0001148600000000, -0.0000002600000000 ] - [ 0.0033649300000000, 0.0003319400000000, -0.0017052800000000 ] - [ -0.0001086500000000, -0.0000149400000000, 0.0000263200000000 ] - [ -0.0000031400000000, 0.0000309900000000, 0.0000009000000000 ] - [ 0.0001009600000000, -0.0000149400000000, -0.0000244100000000 ] - [ -0.0015199900000000, -0.0692300700000000, 0.0008918900000000 ] - [ -0.0003422800000000, 0.0024338500000000, 0.0006282500000000 ] - [ 0.0026511500000000, 0.0024128800000000, -0.0013211100000000 ] - [ 0.0011673100000000, -0.0004443000000000, -0.0003585100000000 ] - [ 0.0011139300000000, 0.0002198200000000, -0.0004442500000000 ] - [ 0.0012168600000000, 0.0002202100000000, -0.0002698000000000 ] - [ 0.0031331300000000, 0.0007180000000000, 0.0014503500000000 ] - [ -0.0011668700000000, 0.0007485800000000, 0.0003587600000000 ] - [ -0.0054106500000000, 0.0007159900000000, -0.0007299300000000 ] - [ -0.0010125100000000, -0.0001838800000000, 0.0003396300000000 ] - [ -0.0011658800000000, 0.0003697200000000, 0.0003535100000000 ] - [ -0.0013186700000000, -0.0001829800000000, 0.0003667300000000 ] - [ 0.0039065700000000, -0.0006724500000000, -0.0012515800000000 ] - [ 0.0011695500000000, 0.0007332700000000, -0.0003540200000000 ] - [ -0.0015238700000000, -0.0006499800000000, 0.0005430200000000 ] - [ 0.0012186800000000, -0.0001151700000000, -0.0005043000000000 ] - [ 0.0011694700000000, 0.0002287600000000, -0.0003577300000000 ] - [ 0.0011227200000000, -0.0001134100000000, -0.0002128000000000 ] - [ -0.0010105400000000, -0.0274473500000000, 0.0003097900000000 ] - [ -0.0028565800000000, 0.0002185600000000, 0.0010874800000000 ] - [ 0.0004897400000000, 0.0002323400000000, -0.0003593500000000 ] - [ -0.0011673000000000, -0.0004158200000000, 0.0003522400000000 ] - [ -0.0012173800000000, 0.0002057200000000, 0.0002856400000000 ] - [ -0.0011197000000000, 0.0002064100000000, 0.0004221800000000 ] - [ -0.0002877000000000, -0.0019717300000000, -0.0000124800000000 ] - [ 0.0010100100000000, 0.0016887000000000, -0.0006086900000000 ] - [ -0.0015865400000000, 0.0016727500000000, 0.0005798100000000 ] - [ -0.0002950400000000, -0.0003327700000000, -0.0000156500000000 ] - [ -0.0002145100000000, 0.0002019300000000, 0.0001841500000000 ] - [ -0.0003783600000000, 0.0002031000000000, -0.0002104900000000 ] - [ -0.0000344000000000, 0.0004522900000000, 0.0022509700000000 ] - [ 0.0002968500000000, 0.0005544700000000, 0.0000133900000000 ] - [ 0.0006155700000000, 0.0004515100000000, -0.0022025800000000 ] - [ 0.0004115100000000, -0.0002845200000000, -0.0013585100000000 ] - [ 0.0002962300000000, 0.0004350500000000, 0.0000108500000000 ] - [ 0.0001799900000000, -0.0002826000000000, 0.0013685600000000 ] - [ -0.0021980100000000, 0.0002489200000000, -0.0009637100000000 ] - [ -0.0002980100000000, 0.0006237600000000, -0.0000123900000000 ] - [ 0.0015801900000000, 0.0002513700000000, 0.0009363100000000 ] - [ -0.0005142300000000, -0.0000970400000000, 0.0000729800000000 ] - [ -0.0002974500000000, 0.0001964800000000, -0.0000130400000000 ] - [ -0.0000810300000000, -0.0000937200000000, -0.0001090200000000 ] - [ 0.0003052100000000, -0.0003077100000000, 0.0000061100000000 ] - [ 0.0005261400000000, 0.0001270200000000, 0.0001373100000000 ] - [ 0.0000754200000000, 0.0001370500000000, -0.0001147300000000 ] - [ 0.0002967000000000, -0.0004799100000000, 0.0000156900000000 ] - [ 0.0003394700000000, 0.0002600500000000, -0.0002945900000000 ] - [ 0.0002554300000000, 0.0002602700000000, 0.0003174700000000 ]- atom: 37 displacement: [ -0.0014015352162634, 0.0000000000000000, 0.0099012978461196 ] forces: - [ -0.0010122700000000, -0.0036191500000000, 0.0083593600000000 ] - [ -0.0001510400000000, 0.0000000000000000, 0.0008046800000000 ] - [ -0.0010122700000000, 0.0036191500000000, 0.0083593600000000 ] - [ 0.0001150100000000, -0.0002910600000000, -0.0015360200000000 ] - [ 0.0002180400000000, 0.0000000000000000, -0.0004096900000000 ] - [ 0.0001150100000000, 0.0002910600000000, -0.0015360200000000 ] - [ 0.0060380100000000, 0.0000000000000000, 0.0117174400000000 ] - [ -0.0002993200000000, -0.0009218000000000, 0.0008387100000000 ] - [ -0.0002993200000000, 0.0009218000000000, 0.0008387100000000 ] - [ 0.0003884700000000, 0.0000000000000000, -0.0020707500000000 ] - [ 0.0001380400000000, 0.0003139800000000, -0.0011277400000000 ] - [ 0.0001380400000000, -0.0003139800000000, -0.0011277400000000 ] - [ 0.0031835600000000, 0.0000000000000000, 0.0072380500000000 ] - [ -0.0000076300000000, -0.0000265700000000, 0.0013704300000000 ] - [ -0.0000076300000000, 0.0000265700000000, 0.0013704300000000 ] - [ 0.0000085700000000, 0.0000000000000000, -0.0014223600000000 ] - [ 0.0001833300000000, -0.0002950500000000, -0.0005919200000000 ] - [ 0.0001833300000000, 0.0002950500000000, -0.0005919200000000 ] - [ 0.0015530300000000, -0.0058097200000000, -0.0021113700000000 ] - [ -0.0002691700000000, 0.0000000000000000, 0.0004089700000000 ] - [ 0.0015530300000000, 0.0058097200000000, -0.0021113700000000 ] - [ -0.0005582700000000, 0.0001249200000000, -0.0015036500000000 ] - [ -0.0001126900000000, 0.0000000000000000, -0.0006536800000000 ] - [ -0.0005582700000000, -0.0001249200000000, -0.0015036500000000 ] - [ -0.2642226400000000, 0.0000000000000000, 0.1423078500000000 ] - [ -0.0030306700000000, -0.0001146800000000, 0.0008707900000000 ] - [ -0.0030306700000000, 0.0001146800000000, 0.0008707900000000 ] - [ 0.0006216000000000, 0.0000000000000000, -0.0002083300000000 ] - [ 0.0004353000000000, 0.0000187200000000, -0.0001622100000000 ] - [ 0.0004353000000000, -0.0000187200000000, -0.0001622100000000 ] - [ 0.0024694900000000, 0.0004834800000000, -0.0011966300000000 ] - [ -0.0005771800000000, 0.0000000000000000, 0.0002192600000000 ] - [ 0.0024694900000000, -0.0004834800000000, -0.0011966300000000 ] - [ 0.0006667700000000, -0.0000140600000000, -0.0001650900000000 ] - [ 0.0005549700000000, 0.0000000000000000, -0.0001787100000000 ] - [ 0.0006667700000000, 0.0000140600000000, -0.0001650900000000 ] - [ 0.3074589500000000, 0.0000000000000000, -0.1613751900000000 ] - [ 0.0030365800000000, -0.0011749400000000, -0.0023176900000000 ] - [ 0.0030365800000000, 0.0011749400000000, -0.0023176900000000 ] - [ 0.0008548300000000, 0.0000000000000000, 0.0005818300000000 ] - [ 0.0009514100000000, 0.0000793400000000, 0.0002721600000000 ] - [ 0.0009514100000000, -0.0000793400000000, 0.0002721600000000 ] - [ -0.0032660400000000, 0.0004849300000000, -0.0016754500000000 ] - [ -0.0009027000000000, 0.0000000000000000, -0.0003420900000000 ] - [ -0.0032660400000000, -0.0004849300000000, -0.0016754500000000 ] - [ -0.0015722600000000, -0.0000350300000000, 0.0011424200000000 ] - [ -0.0014698100000000, 0.0000000000000000, 0.0008672400000000 ] - [ -0.0015722600000000, 0.0000350300000000, 0.0011424200000000 ] - [ -0.0011365100000000, 0.0012664300000000, -0.0012292300000000 ] - [ 0.0014183500000000, 0.0000000000000000, -0.0009887800000000 ] - [ -0.0011365100000000, -0.0012664300000000, -0.0012292300000000 ] - [ 0.0007934100000000, 0.0001514700000000, 0.0003326500000000 ] - [ 0.0008701100000000, 0.0000000000000000, 0.0001194400000000 ] - [ 0.0007934100000000, -0.0001514700000000, 0.0003326500000000 ] - [ -0.0481469900000000, 0.0000000000000000, -0.0093122500000000 ] - [ 0.0006856600000000, 0.0009468400000000, -0.0010132700000000 ] - [ 0.0006856600000000, -0.0009468400000000, -0.0010132700000000 ] - [ -0.0013981900000000, 0.0000000000000000, 0.0012464900000000 ] - [ -0.0013717000000000, -0.0000607300000000, 0.0009153800000000 ] - [ -0.0013717000000000, 0.0000607300000000, 0.0009153800000000 ] - [ -0.0047702900000000, 0.0000000000000000, 0.0013816700000000 ] - [ -0.0015223200000000, -0.0011536700000000, 0.0002305800000000 ] - [ -0.0015223200000000, 0.0011536700000000, 0.0002305800000000 ] - [ -0.0003720100000000, 0.0000000000000000, 0.0011635800000000 ] - [ -0.0001977200000000, 0.0002361100000000, 0.0002923600000000 ] - [ -0.0001977200000000, -0.0002361100000000, 0.0002923600000000 ] - [ 0.0003540300000000, 0.0015332700000000, 0.0013562700000000 ] - [ 0.0002681600000000, 0.0000000000000000, -0.0001261100000000 ] - [ 0.0003540300000000, -0.0015332700000000, 0.0013562700000000 ] - [ 0.0002221400000000, -0.0003635800000000, 0.0013030300000000 ] - [ 0.0003789700000000, 0.0000000000000000, 0.0002188900000000 ] - [ 0.0002221400000000, 0.0003635800000000, 0.0013030300000000 ] - [ 0.0024788700000000, -0.0012199600000000, 0.0001218200000000 ] - [ -0.0002143500000000, 0.0000000000000000, -0.0001353900000000 ] - [ 0.0024788700000000, 0.0012199600000000, 0.0001218200000000 ] - [ -0.0004173500000000, 0.0002179900000000, 0.0008377000000000 ] - [ -0.0002541200000000, 0.0000000000000000, 0.0001570100000000 ] - [ -0.0004173500000000, -0.0002179900000000, 0.0008377000000000 ] - [ 0.0005863000000000, 0.0000000000000000, 0.0008348400000000 ] - [ -0.0000773500000000, 0.0005975900000000, 0.0000971300000000 ] - [ -0.0000773500000000, -0.0005975900000000, 0.0000971300000000 ] - [ 0.0001753900000000, 0.0000000000000000, -0.0000656800000000 ] - [ 0.0003047800000000, -0.0001501200000000, 0.0003003500000000 ] - [ 0.0003047800000000, 0.0001501200000000, 0.0003003500000000 ]- atom: 37 displacement: [ 0.0014015352162634, 0.0000000000000000, -0.0099012978461196 ] forces: - [ 0.0013522900000000, 0.0039156500000000, -0.0081336700000000 ] - [ 0.0003957200000000, 0.0000000000000000, -0.0004917800000000 ] - [ 0.0013522900000000, -0.0039156500000000, -0.0081336700000000 ] - [ 0.0001303100000000, 0.0002891000000000, 0.0018555000000000 ] - [ 0.0000254000000000, 0.0000000000000000, 0.0007279600000000 ] - [ 0.0001303100000000, -0.0002891000000000, 0.0018555000000000 ] - [ -0.0059470700000000, 0.0000000000000000, -0.0117499500000000 ] - [ 0.0000560400000000, 0.0009205300000000, -0.0011570700000000 ] - [ 0.0000560400000000, -0.0009205300000000, -0.0011570700000000 ] - [ -0.0006346800000000, 0.0000000000000000, 0.0017542600000000 ] - [ -0.0003818200000000, -0.0003152800000000, 0.0008137000000000 ] - [ -0.0003818200000000, 0.0003152800000000, 0.0008137000000000 ] - [ -0.0029680900000000, 0.0000000000000000, -0.0069684300000000 ] - [ 0.0002496300000000, 0.0000278400000000, -0.0010590300000000 ] - [ 0.0002496300000000, -0.0000278400000000, -0.0010590300000000 ] - [ 0.0002310700000000, 0.0000000000000000, 0.0017435700000000 ] - [ 0.0000590700000000, 0.0002954100000000, 0.0009133900000000 ] - [ 0.0000590700000000, -0.0002954100000000, 0.0009133900000000 ] - [ -0.0018172300000000, 0.0058598600000000, 0.0018131000000000 ] - [ 0.0000255700000000, 0.0000000000000000, -0.0007269500000000 ] - [ -0.0018172300000000, -0.0058598600000000, 0.0018131000000000 ] - [ 0.0003172100000000, -0.0001250700000000, 0.0011897800000000 ] - [ -0.0001301500000000, 0.0000000000000000, 0.0003369800000000 ] - [ 0.0003172100000000, 0.0001250700000000, 0.0011897800000000 ] - [ 0.2573537700000000, 0.0000000000000000, -0.1437644200000000 ] - [ 0.0030399400000000, 0.0001145000000000, -0.0008732200000000 ] - [ 0.0030399400000000, -0.0001145000000000, -0.0008732200000000 ] - [ -0.0006238900000000, 0.0000000000000000, 0.0002095100000000 ] - [ -0.0004333100000000, -0.0000187300000000, 0.0001616700000000 ] - [ -0.0004333100000000, 0.0000187300000000, 0.0001616700000000 ] - [ -0.0024963100000000, -0.0004847900000000, 0.0012059500000000 ] - [ 0.0005763000000000, 0.0000000000000000, -0.0002191900000000 ] - [ -0.0024963100000000, 0.0004847900000000, 0.0012059500000000 ] - [ -0.0006693900000000, 0.0000140400000000, 0.0001655500000000 ] - [ -0.0005574800000000, 0.0000000000000000, 0.0001794900000000 ] - [ -0.0006693900000000, -0.0000140400000000, 0.0001655500000000 ] - [ -0.2984952200000000, 0.0000000000000000, 0.1624215000000000 ] - [ -0.0007083100000000, 0.0011747600000000, 0.0016122800000000 ] - [ -0.0007083100000000, -0.0011747600000000, 0.0016122800000000 ] - [ 0.0014796300000000, 0.0000000000000000, -0.0012947800000000 ] - [ 0.0013803300000000, -0.0000789400000000, -0.0009837000000000 ] - [ 0.0013803300000000, 0.0000789400000000, -0.0009837000000000 ] - [ 0.0009443300000000, -0.0004770500000000, 0.0023796300000000 ] - [ -0.0014322600000000, 0.0000000000000000, 0.0010548800000000 ] - [ 0.0009443300000000, 0.0004770500000000, 0.0023796300000000 ] - [ -0.0007623600000000, 0.0000355000000000, -0.0004319900000000 ] - [ -0.0008626100000000, 0.0000000000000000, -0.0001580000000000 ] - [ -0.0007623600000000, -0.0000355000000000, -0.0004319900000000 ] - [ 0.0034914900000000, -0.0012732600000000, 0.0005208700000000 ] - [ 0.0009187200000000, 0.0000000000000000, 0.0002790800000000 ] - [ 0.0034914900000000, 0.0012732600000000, 0.0005208700000000 ] - [ 0.0015446400000000, -0.0001511400000000, -0.0010459700000000 ] - [ 0.0014649900000000, 0.0000000000000000, -0.0008316800000000 ] - [ 0.0015446400000000, 0.0001511400000000, -0.0010459700000000 ] - [ 0.0455917100000000, 0.0000000000000000, 0.0096025800000000 ] - [ -0.0030277000000000, -0.0009533900000000, 0.0017302900000000 ] - [ -0.0030277000000000, 0.0009533900000000, 0.0017302900000000 ] - [ -0.0009348400000000, 0.0000000000000000, -0.0005385800000000 ] - [ -0.0009648800000000, 0.0000608000000000, -0.0002051700000000 ] - [ -0.0009648800000000, -0.0000608000000000, -0.0002051700000000 ] - [ 0.0041897300000000, 0.0000000000000000, -0.0014069600000000 ] - [ 0.0009324100000000, 0.0011565900000000, -0.0002561000000000 ] - [ 0.0009324100000000, -0.0011565900000000, -0.0002561000000000 ] - [ -0.0002213700000000, 0.0000000000000000, -0.0011819900000000 ] - [ -0.0003958100000000, -0.0002358900000000, -0.0003180500000000 ] - [ -0.0003958100000000, 0.0002358900000000, -0.0003180500000000 ] - [ 0.0002258100000000, -0.0015245400000000, -0.0013220000000000 ] - [ 0.0003250800000000, 0.0000000000000000, 0.0001501100000000 ] - [ 0.0002258100000000, 0.0015245400000000, -0.0013220000000000 ] - [ 0.0003728200000000, 0.0003649100000000, -0.0012796800000000 ] - [ 0.0002144300000000, 0.0000000000000000, -0.0001944600000000 ] - [ 0.0003728200000000, -0.0003649100000000, -0.0012796800000000 ] - [ -0.0030870900000000, 0.0012328300000000, -0.0001478900000000 ] - [ -0.0003795900000000, 0.0000000000000000, 0.0001120600000000 ] - [ -0.0030870900000000, -0.0012328300000000, -0.0001478900000000 ] - [ -0.0001765500000000, -0.0002188000000000, -0.0008677900000000 ] - [ -0.0003398800000000, 0.0000000000000000, -0.0001828100000000 ] - [ -0.0001765500000000, 0.0002188000000000, -0.0008677900000000 ] - [ 0.0000382700000000, 0.0000000000000000, -0.0008137200000000 ] - [ 0.0006754600000000, -0.0006015500000000, -0.0000744000000000 ] - [ 0.0006754600000000, 0.0006015500000000, -0.0000744000000000 ] - [ 0.0004172900000000, 0.0000000000000000, 0.0000918500000000 ] - [ 0.0002887100000000, 0.0001505800000000, -0.0002760400000000 ] - [ 0.0002887100000000, -0.0001505800000000, -0.0002760400000000 ]- atom: 61 displacement: [ 0.0099999597509991, 0.0000000000000000, -0.0000283721412356 ] forces: - [ 0.0058859400000000, -0.0028362500000000, -0.0004619200000000 ] - [ 0.0002967800000000, 0.0000000000000000, 0.0000642400000000 ] - [ 0.0058859400000000, 0.0028362500000000, -0.0004619200000000 ] - [ 0.0002624100000000, -0.0000852900000000, 0.0000996500000000 ] - [ 0.0001941700000000, 0.0000000000000000, 0.0001311800000000 ] - [ 0.0002624100000000, 0.0000852900000000, 0.0000996500000000 ] - [ 0.0005726700000000, 0.0000000000000000, 0.0003626000000000 ] - [ 0.0002010900000000, -0.0001501700000000, -0.0000180200000000 ] - [ 0.0002010900000000, 0.0001501700000000, -0.0000180200000000 ] - [ 0.0029546600000000, 0.0000000000000000, 0.0004201400000000 ] - [ 0.0005565400000000, 0.0001256700000000, -0.0002824500000000 ] - [ 0.0005565400000000, -0.0001256700000000, -0.0002824500000000 ] - [ 0.0087299800000000, 0.0000000000000000, 0.0002662600000000 ] - [ -0.0001985800000000, -0.0007483800000000, 0.0000481800000000 ] - [ -0.0001985800000000, 0.0007483800000000, 0.0000481800000000 ] - [ -0.0000243300000000, 0.0000000000000000, 0.0003926200000000 ] - [ 0.0000280000000000, -0.0001226200000000, 0.0001467400000000 ] - [ 0.0000280000000000, 0.0001226200000000, 0.0001467400000000 ] - [ -0.0006754100000000, -0.0001522300000000, -0.0004121400000000 ] - [ -0.0003353700000000, 0.0000000000000000, -0.0000240000000000 ] - [ -0.0006754100000000, 0.0001522300000000, -0.0004121400000000 ] - [ -0.0015700300000000, -0.0009379200000000, 0.0000291700000000 ] - [ -0.0003739500000000, 0.0000000000000000, -0.0001208200000000 ] - [ -0.0015700300000000, 0.0009379200000000, 0.0000291700000000 ] - [ -0.0051379200000000, 0.0000000000000000, 0.0011716300000000 ] - [ -0.0016550300000000, -0.0002419100000000, 0.0003990800000000 ] - [ -0.0016550300000000, 0.0002419100000000, 0.0003990800000000 ] - [ -0.0002527500000000, 0.0000000000000000, -0.0001433800000000 ] - [ -0.0001937100000000, 0.0000606300000000, -0.0000060800000000 ] - [ -0.0001937100000000, -0.0000606300000000, -0.0000060800000000 ] - [ 0.0043059100000000, 0.0002544800000000, -0.0011927800000000 ] - [ 0.0001474500000000, 0.0000000000000000, -0.0000350700000000 ] - [ 0.0043059100000000, -0.0002544800000000, -0.0011927800000000 ] - [ 0.0002091600000000, -0.0000470500000000, 0.0000357100000000 ] - [ 0.0001823900000000, 0.0000000000000000, -0.0000343500000000 ] - [ 0.0002091600000000, 0.0000470500000000, 0.0000357100000000 ] - [ 0.0060216200000000, 0.0000000000000000, -0.0041813200000000 ] - [ 0.0021839500000000, -0.0012954700000000, -0.0014493300000000 ] - [ 0.0021839500000000, 0.0012954700000000, -0.0014493300000000 ] - [ 0.0012777800000000, 0.0000000000000000, -0.0004174100000000 ] - [ 0.0012885900000000, -0.0000815700000000, -0.0002383700000000 ] - [ 0.0012885900000000, 0.0000815700000000, -0.0002383700000000 ] - [ -0.0036745300000000, -0.0003362600000000, 0.0000586800000000 ] - [ -0.0013094100000000, 0.0000000000000000, 0.0003070900000000 ] - [ -0.0036745300000000, 0.0003362600000000, 0.0000586800000000 ] - [ -0.0015034900000000, 0.0001159600000000, 0.0002327200000000 ] - [ -0.0013079200000000, 0.0000000000000000, 0.0004189000000000 ] - [ -0.0015034900000000, -0.0001159600000000, 0.0002327200000000 ] - [ -0.0002071700000000, 0.0018926000000000, 0.0022686700000000 ] - [ 0.0010885700000000, 0.0000000000000000, -0.0002840100000000 ] - [ -0.0002071700000000, -0.0018926000000000, 0.0022686700000000 ] - [ 0.0010258700000000, 0.0002174700000000, -0.0004986300000000 ] - [ 0.0010651500000000, 0.0000000000000000, -0.0003275000000000 ] - [ 0.0010258700000000, -0.0002174700000000, -0.0004986300000000 ] - [ 0.0034233300000000, 0.0000000000000000, 0.0012897100000000 ] - [ -0.0000473300000000, 0.0002253200000000, 0.0001345700000000 ] - [ -0.0000473300000000, -0.0002253200000000, 0.0001345700000000 ] - [ -0.0006673400000000, 0.0000000000000000, 0.0003008100000000 ] - [ -0.0009456100000000, 0.0000429000000000, 0.0003943300000000 ] - [ -0.0009456100000000, -0.0000429000000000, 0.0003943300000000 ] - [ -0.0363022400000000, 0.0000000000000000, 0.0012544700000000 ] - [ -0.0008644300000000, -0.0000228600000000, 0.0000240000000000 ] - [ -0.0008644300000000, 0.0000228600000000, 0.0000240000000000 ] - [ -0.0003715900000000, 0.0000000000000000, -0.0000541700000000 ] - [ -0.0003460000000000, 0.0000376400000000, -0.0000360400000000 ] - [ -0.0003460000000000, -0.0000376400000000, -0.0000360400000000 ] - [ 0.0002919700000000, 0.0000209400000000, -0.0000809500000000 ] - [ 0.0002489300000000, 0.0000000000000000, -0.0000764500000000 ] - [ 0.0002919700000000, -0.0000209400000000, -0.0000809500000000 ] - [ 0.0015147200000000, -0.0021715800000000, 0.0022730100000000 ] - [ 0.0002751800000000, 0.0000000000000000, 0.0000279500000000 ] - [ 0.0015147200000000, 0.0021715800000000, 0.0022730100000000 ] - [ 0.0010618700000000, 0.0006357000000000, -0.0000089200000000 ] - [ -0.0001394900000000, 0.0000000000000000, 0.0000381800000000 ] - [ 0.0010618700000000, -0.0006357000000000, -0.0000089200000000 ] - [ -0.0002378400000000, 0.0000393700000000, 0.0000130200000000 ] - [ -0.0002359000000000, 0.0000000000000000, -0.0000043900000000 ] - [ -0.0002378400000000, -0.0000393700000000, 0.0000130200000000 ] - [ 0.0003404500000000, 0.0000000000000000, 0.0001608100000000 ] - [ 0.0003324300000000, 0.0000964400000000, 0.0000895700000000 ] - [ 0.0003324300000000, -0.0000964400000000, 0.0000895700000000 ] - [ 0.0049471100000000, 0.0000000000000000, -0.0039577000000000 ] - [ 0.0003166800000000, 0.0002143000000000, -0.0000344800000000 ] - [ 0.0003166800000000, -0.0002143000000000, -0.0000344800000000 ]- atom: 61 displacement: [ -0.0099999597509991, 0.0000000000000000, 0.0000283721412356 ] forces: - [ -0.0058111200000000, 0.0030469600000000, 0.0008756000000000 ] - [ -0.0000590600000000, 0.0000000000000000, 0.0002562300000000 ] - [ -0.0058111200000000, -0.0030469600000000, 0.0008756000000000 ] - [ -0.0000205000000000, 0.0000863500000000, 0.0002128100000000 ] - [ 0.0000487600000000, 0.0000000000000000, 0.0001836300000000 ] - [ -0.0000205000000000, -0.0000863500000000, 0.0002128100000000 ] - [ -0.0008225100000000, 0.0000000000000000, -0.0006766000000000 ] - [ -0.0004467000000000, 0.0001498900000000, -0.0002998900000000 ] - [ -0.0004467000000000, -0.0001498900000000, -0.0002998900000000 ] - [ -0.0031919000000000, 0.0000000000000000, -0.0007299000000000 ] - [ -0.0007986200000000, -0.0001207300000000, -0.0000367500000000 ] - [ -0.0007986200000000, 0.0001207300000000, -0.0000367500000000 ] - [ -0.0078912700000000, 0.0000000000000000, 0.0002214500000000 ] - [ 0.0004465000000000, 0.0007449200000000, 0.0002695500000000 ] - [ 0.0004465000000000, -0.0007449200000000, 0.0002695500000000 ] - [ 0.0002668100000000, 0.0000000000000000, -0.0000769600000000 ] - [ 0.0002154300000000, 0.0001234000000000, 0.0001696600000000 ] - [ 0.0002154300000000, -0.0001234000000000, 0.0001696600000000 ] - [ 0.0004360600000000, 0.0001457400000000, 0.0000890400000000 ] - [ 0.0000929900000000, 0.0000000000000000, -0.0002952500000000 ] - [ 0.0004360600000000, -0.0001457400000000, 0.0000890400000000 ] - [ 0.0013223400000000, 0.0009347400000000, -0.0003404600000000 ] - [ 0.0001305500000000, 0.0000000000000000, -0.0001953900000000 ] - [ 0.0013223400000000, -0.0009347400000000, -0.0003404600000000 ] - [ 0.0051217400000000, 0.0000000000000000, -0.0011560000000000 ] - [ 0.0016584900000000, 0.0002436000000000, -0.0003996900000000 ] - [ 0.0016584900000000, -0.0002436000000000, -0.0003996900000000 ] - [ 0.0002398200000000, 0.0000000000000000, 0.0001486700000000 ] - [ 0.0001951000000000, -0.0000602700000000, 0.0000055600000000 ] - [ 0.0001951000000000, 0.0000602700000000, 0.0000055600000000 ] - [ -0.0042774900000000, -0.0002504800000000, 0.0011880700000000 ] - [ -0.0001487700000000, 0.0000000000000000, 0.0000360500000000 ] - [ -0.0042774900000000, 0.0002504800000000, 0.0011880700000000 ] - [ -0.0001959300000000, 0.0000454500000000, -0.0000390900000000 ] - [ -0.0001815700000000, 0.0000000000000000, 0.0000341600000000 ] - [ -0.0001959300000000, -0.0000454500000000, -0.0000390900000000 ] - [ -0.0037018800000000, 0.0000000000000000, 0.0035002000000000 ] - [ 0.0001495500000000, 0.0013043300000000, 0.0007431400000000 ] - [ 0.0001495500000000, -0.0013043300000000, 0.0007431400000000 ] - [ 0.0010713000000000, 0.0000000000000000, -0.0002879100000000 ] - [ 0.0010441300000000, 0.0000810800000000, -0.0004713200000000 ] - [ 0.0010441300000000, -0.0000810800000000, -0.0004713200000000 ] - [ 0.0013264700000000, 0.0003263400000000, 0.0006449300000000 ] - [ -0.0010267800000000, 0.0000000000000000, 0.0004038100000000 ] - [ 0.0013264700000000, -0.0003263400000000, 0.0006449300000000 ] - [ -0.0008420600000000, -0.0001234800000000, 0.0004858900000000 ] - [ -0.0010287000000000, 0.0000000000000000, 0.0002933600000000 ] - [ -0.0008420600000000, 0.0001234800000000, 0.0004858900000000 ] - [ 0.0025272100000000, -0.0018802200000000, -0.0029648600000000 ] - [ 0.0012480200000000, 0.0000000000000000, -0.0004289300000000 ] - [ 0.0025272100000000, 0.0018802200000000, -0.0029648600000000 ] - [ 0.0013020400000000, -0.0002161700000000, -0.0002114400000000 ] - [ 0.0012696500000000, 0.0000000000000000, -0.0003838000000000 ] - [ 0.0013020400000000, 0.0002161700000000, -0.0002114400000000 ] - [ -0.0057461400000000, 0.0000000000000000, -0.0005567700000000 ] - [ -0.0022917900000000, -0.0002248000000000, 0.0005777600000000 ] - [ -0.0022917900000000, 0.0002248000000000, 0.0005777600000000 ] - [ -0.0016566600000000, 0.0000000000000000, 0.0004050500000000 ] - [ -0.0013902400000000, -0.0000428200000000, 0.0003171900000000 ] - [ -0.0013902400000000, 0.0000428200000000, 0.0003171900000000 ] - [ 0.0353971700000000, 0.0000000000000000, -0.0016352400000000 ] - [ 0.0002712100000000, 0.0000177800000000, -0.0000510100000000 ] - [ 0.0002712100000000, -0.0000177800000000, -0.0000510100000000 ] - [ -0.0002223900000000, 0.0000000000000000, 0.0000310300000000 ] - [ -0.0002479800000000, -0.0000377500000000, 0.0000120400000000 ] - [ -0.0002479800000000, 0.0000377500000000, 0.0000120400000000 ] - [ 0.0003027900000000, -0.0000201400000000, 0.0001077700000000 ] - [ 0.0003452000000000, 0.0000000000000000, 0.0001024000000000 ] - [ 0.0003027900000000, 0.0000201400000000, 0.0001077700000000 ] - [ -0.0009140400000000, 0.0021870900000000, -0.0022644000000000 ] - [ 0.0003197300000000, 0.0000000000000000, -0.0000031200000000 ] - [ -0.0009140400000000, -0.0021870900000000, -0.0022644000000000 ] - [ -0.0016511700000000, -0.0006281900000000, -0.0000211000000000 ] - [ -0.0004545400000000, 0.0000000000000000, -0.0000641400000000 ] - [ -0.0016511700000000, 0.0006281900000000, -0.0000211000000000 ] - [ -0.0003561500000000, -0.0000395300000000, -0.0000364100000000 ] - [ -0.0003579600000000, 0.0000000000000000, -0.0000199700000000 ] - [ -0.0003561500000000, 0.0000395300000000, -0.0000364100000000 ] - [ 0.0002515300000000, 0.0000000000000000, -0.0001344900000000 ] - [ 0.0002602000000000, -0.0000961800000000, -0.0000639600000000 ] - [ 0.0002602000000000, 0.0000961800000000, -0.0000639600000000 ] - [ -0.0042907700000000, 0.0000000000000000, 0.0039145600000000 ] - [ 0.0002750600000000, -0.0002139300000000, 0.0000583300000000 ] - [ 0.0002750600000000, 0.0002139300000000, 0.0000583300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044007800000000, 0.0060881300000000, 0.0011404200000000 ] - [ 0.0001230600000000, -0.0018613700000000, 0.0001578900000000 ] - [ 0.0044015000000000, 0.0058800500000000, -0.0007189300000000 ] - [ 0.0000923000000000, 0.0002001600000000, 0.0003147400000000 ] - [ 0.0001215300000000, -0.0003992200000000, 0.0001581400000000 ] - [ 0.0001500000000000, 0.0001985400000000, 0.0000003500000000 ] - [ -0.0001223100000000, 0.0015239400000000, -0.0001541400000000 ] - [ -0.0000255200000000, -0.0007412200000000, -0.0007927100000000 ] - [ -0.0002187100000000, -0.0007422600000000, 0.0004725200000000 ] - [ -0.0001258900000000, 0.0029120300000000, -0.0001436700000000 ] - [ -0.0003064900000000, -0.0010400000000000, 0.0008039600000000 ] - [ 0.0000639800000000, -0.0010419900000000, -0.0011141300000000 ] - [ 0.0001071200000000, 0.0030269400000000, 0.0001594100000000 ] - [ -0.0004921600000000, -0.0011699200000000, 0.0000795600000000 ] - [ 0.0007321400000000, -0.0011734400000000, 0.0002363800000000 ] - [ 0.0001215000000000, 0.0003738000000000, 0.0001573100000000 ] - [ 0.0001338400000000, -0.0001845100000000, 0.0001799400000000 ] - [ 0.0001096400000000, -0.0001863100000000, 0.0001371500000000 ] - [ -0.0004450100000000, 0.0004202100000000, -0.0007358200000000 ] - [ -0.0001216200000000, -0.0008235700000000, -0.0001598200000000 ] - [ 0.0002027700000000, 0.0004173600000000, 0.0004193900000000 ] - [ 0.0005000000000000, 0.0004159600000000, 0.0003415700000000 ] - [ -0.0001211900000000, -0.0007099600000000, -0.0001577700000000 ] - [ -0.0007397300000000, 0.0004084900000000, -0.0006581300000000 ] - [ 0.0000048500000000, -0.0002832200000000, -0.0000040200000000 ] - [ 0.0015641500000000, 0.0002748900000000, -0.0003955500000000 ] - [ -0.0015538500000000, 0.0002743000000000, 0.0003926600000000 ] - [ -0.0000029600000000, 0.0000683000000000, 0.0000019700000000 ] - [ -0.0000286500000000, -0.0000233800000000, 0.0000415600000000 ] - [ 0.0000312000000000, -0.0000232400000000, -0.0000422800000000 ] - [ -0.0000046000000000, 0.0005603600000000, 0.0007168100000000 ] - [ -0.0000012800000000, 0.0000245600000000, 0.0000002000000000 ] - [ 0.0000092600000000, 0.0005495500000000, -0.0006975900000000 ] - [ -0.0003376300000000, -0.0000543200000000, 0.0000465100000000 ] - [ -0.0000006700000000, 0.0000566600000000, 0.0000002700000000 ] - [ 0.0003410200000000, -0.0000538700000000, -0.0000478900000000 ] - [ 0.0011710700000000, -0.0019717100000000, -0.0003579200000000 ] - [ 0.0002648300000000, 0.0016847600000000, 0.0006870100000000 ] - [ 0.0020670600000000, 0.0016765700000000, -0.0013912300000000 ] - [ 0.0011708000000000, -0.0003327400000000, -0.0003534100000000 ] - [ 0.0011449200000000, 0.0002021500000000, -0.0005961400000000 ] - [ 0.0011856300000000, 0.0002028700000000, -0.0001139700000000 ] - [ -0.0004590600000000, 0.0004514100000000, 0.0020019900000000 ] - [ -0.0011671900000000, 0.0005544800000000, 0.0003567800000000 ] - [ -0.0018681400000000, 0.0004522300000000, -0.0012846400000000 ] - [ -0.0009989200000000, -0.0002866800000000, 0.0000132400000000 ] - [ -0.0011675200000000, 0.0004349400000000, 0.0003553400000000 ] - [ -0.0013388300000000, -0.0002805600000000, 0.0007001600000000 ] - [ 0.0019198500000000, 0.0002483900000000, 0.0009957000000000 ] - [ 0.0011695000000000, 0.0006236100000000, -0.0003557200000000 ] - [ 0.0004173500000000, 0.0002520500000000, -0.0016961500000000 ] - [ 0.0013694900000000, -0.0000960000000000, -0.0005463600000000 ] - [ 0.0011682000000000, 0.0001963600000000, -0.0003560300000000 ] - [ 0.0009639600000000, -0.0000947100000000, -0.0001632000000000 ] - [ -0.0011689400000000, -0.0003078800000000, 0.0003525800000000 ] - [ -0.0021042400000000, 0.0001313300000000, 0.0008308900000000 ] - [ -0.0002372300000000, 0.0001327600000000, -0.0001170900000000 ] - [ -0.0011655500000000, -0.0004800000000000, 0.0003548000000000 ] - [ -0.0012193800000000, 0.0002595500000000, 0.0001965700000000 ] - [ -0.0011176000000000, 0.0002607500000000, 0.0005150100000000 ] - [ -0.0000171600000000, -0.0224518500000000, -0.0001634600000000 ] - [ -0.0002771800000000, 0.0016789300000000, -0.0000610100000000 ] - [ -0.0003176500000000, 0.0016651400000000, 0.0000358800000000 ] - [ -0.0002968400000000, -0.0001636300000000, -0.0000124300000000 ] - [ -0.0003345400000000, 0.0000811500000000, 0.0000567600000000 ] - [ -0.0002596200000000, 0.0000817200000000, -0.0000814800000000 ] - [ 0.0003176800000000, -0.0001415000000000, 0.0001373200000000 ] - [ 0.0002969100000000, 0.0003111300000000, 0.0000134100000000 ] - [ 0.0002759100000000, -0.0001401700000000, -0.0001114100000000 ] - [ -0.0019001500000000, 0.0012028700000000, -0.0024132400000000 ] - [ 0.0002964700000000, 0.0005265700000000, 0.0000117100000000 ] - [ 0.0024723800000000, 0.0011996900000000, 0.0024182100000000 ] - [ -0.0009323100000000, -0.0002921800000000, -0.0001691300000000 ] - [ -0.0002973800000000, 0.0004465000000000, -0.0000130500000000 ] - [ 0.0003324900000000, -0.0002871700000000, 0.0001411900000000 ] - [ -0.0003363000000000, -0.0000838700000000, 0.0000516000000000 ] - [ -0.0002969600000000, 0.0001734700000000, -0.0000123600000000 ] - [ -0.0002576300000000, -0.0000831400000000, -0.0000763400000000 ] - [ 0.0002966300000000, -0.0003895000000000, 0.0000125900000000 ] - [ 0.0003937600000000, 0.0002367900000000, 0.0002103400000000 ] - [ 0.0002001100000000, 0.0002372300000000, -0.0001839600000000 ] - [ 0.0002857600000000, -0.0014363700000000, 0.0000199800000000 ] - [ 0.0005108500000000, 0.0002753900000000, -0.0002006700000000 ] - [ 0.0000838800000000, 0.0002764600000000, 0.0002251000000000 ]- atom: 61 displacement: [ -0.0014015352162634, 0.0000000000000000, 0.0099012978461196 ] forces: - [ -0.0020523700000000, 0.0012393000000000, 0.0035548900000000 ] - [ 0.0000426800000000, 0.0000000000000000, 0.0007925800000000 ] - [ -0.0020523700000000, -0.0012393000000000, 0.0035548900000000 ] - [ 0.0000326600000000, 0.0004078300000000, -0.0010626400000000 ] - [ 0.0001551200000000, 0.0000000000000000, -0.0003694800000000 ] - [ 0.0000326600000000, -0.0004078300000000, -0.0010626400000000 ] - [ 0.0005614300000000, 0.0000000000000000, -0.0031945400000000 ] - [ 0.0000879300000000, -0.0006651600000000, -0.0008472700000000 ] - [ 0.0000879300000000, 0.0006651600000000, -0.0008472700000000 ] - [ -0.0008415600000000, 0.0000000000000000, 0.0106703200000000 ] - [ 0.0000307700000000, 0.0010389600000000, -0.0000147300000000 ] - [ 0.0000307700000000, -0.0010389600000000, -0.0000147300000000 ] - [ 0.0010348500000000, 0.0000000000000000, 0.0033514300000000 ] - [ 0.0000105800000000, -0.0003998700000000, 0.0010850300000000 ] - [ 0.0000105800000000, 0.0003998700000000, 0.0010850300000000 ] - [ 0.0001298600000000, 0.0000000000000000, -0.0012058900000000 ] - [ 0.0001764500000000, 0.0002991400000000, -0.0005609900000000 ] - [ 0.0001764500000000, -0.0002991400000000, -0.0005609900000000 ] - [ -0.0004002100000000, -0.0003642000000000, -0.0010394700000000 ] - [ -0.0001237900000000, 0.0000000000000000, -0.0004712900000000 ] - [ -0.0004002100000000, 0.0003642000000000, -0.0010394700000000 ] - [ -0.0001068400000000, 0.0009775400000000, 0.0000449700000000 ] - [ -0.0001358000000000, 0.0000000000000000, 0.0000920400000000 ] - [ -0.0001068400000000, -0.0009775400000000, 0.0000449700000000 ] - [ 0.0014296200000000, 0.0000000000000000, -0.0001445900000000 ] - [ 0.0006655000000000, 0.0001478800000000, -0.0001548900000000 ] - [ 0.0006655000000000, -0.0001478800000000, -0.0001548900000000 ] - [ -0.0009609000000000, 0.0000000000000000, 0.0006275800000000 ] - [ 0.0002176000000000, -0.0000184200000000, -0.0000965400000000 ] - [ 0.0002176000000000, 0.0000184200000000, -0.0000965400000000 ] - [ -0.0020107700000000, 0.0007156600000000, 0.0015210000000000 ] - [ -0.0001447900000000, 0.0000000000000000, 0.0000516300000000 ] - [ -0.0020107700000000, -0.0007156600000000, 0.0015210000000000 ] - [ 0.0017539500000000, -0.0001792200000000, -0.0005307000000000 ] - [ 0.0002197900000000, 0.0000000000000000, -0.0000651500000000 ] - [ 0.0017539500000000, 0.0001792200000000, -0.0005307000000000 ] - [ -0.0021057800000000, 0.0000000000000000, 0.0012169200000000 ] - [ 0.0007661700000000, 0.0007676600000000, 0.0000017100000000 ] - [ 0.0007661700000000, -0.0007676600000000, 0.0000017100000000 ] - [ 0.0026147400000000, 0.0000000000000000, 0.0010279200000000 ] - [ 0.0010674000000000, -0.0001832700000000, -0.0000773500000000 ] - [ 0.0010674000000000, 0.0001832700000000, -0.0000773500000000 ] - [ 0.0003211000000000, 0.0022671300000000, 0.0019027700000000 ] - [ -0.0010859500000000, 0.0000000000000000, 0.0002322700000000 ] - [ 0.0003211000000000, -0.0022671300000000, 0.0019027700000000 ] - [ -0.0021967100000000, -0.0013586300000000, 0.0015085900000000 ] - [ -0.0012949000000000, 0.0000000000000000, 0.0005331900000000 ] - [ -0.0021967100000000, 0.0013586300000000, 0.0015085900000000 ] - [ 0.0022172100000000, 0.0006725300000000, -0.0004714600000000 ] - [ 0.0012521100000000, 0.0000000000000000, -0.0004808800000000 ] - [ 0.0022172100000000, -0.0006725300000000, -0.0004714600000000 ] - [ 0.0000645800000000, -0.0001200600000000, 0.0003553000000000 ] - [ 0.0010431000000000, 0.0000000000000000, -0.0002092200000000 ] - [ 0.0000645800000000, 0.0001200600000000, 0.0003553000000000 ] - [ -0.0028506500000000, 0.0000000000000000, 0.0008996700000000 ] - [ -0.0015612800000000, 0.0000933500000000, 0.0004377000000000 ] - [ -0.0015612800000000, -0.0000933500000000, 0.0004377000000000 ] - [ -0.0005238100000000, 0.0000000000000000, 0.0003889500000000 ] - [ -0.0012248400000000, -0.0003082100000000, 0.0006355300000000 ] - [ -0.0012248400000000, 0.0003082100000000, 0.0006355300000000 ] - [ 0.0061379000000000, 0.0000000000000000, -0.0302432800000000 ] - [ -0.0001823000000000, 0.0000483800000000, -0.0006989500000000 ] - [ -0.0001823000000000, -0.0000483800000000, -0.0006989500000000 ] - [ -0.0003266900000000, 0.0000000000000000, 0.0006948500000000 ] - [ -0.0003127300000000, -0.0000731700000000, 0.0004143600000000 ] - [ -0.0003127300000000, 0.0000731700000000, 0.0004143600000000 ] - [ 0.0002053800000000, 0.0001201200000000, 0.0005375500000000 ] - [ 0.0002158700000000, 0.0000000000000000, 0.0003306500000000 ] - [ 0.0002053800000000, -0.0001201200000000, 0.0005375500000000 ] - [ 0.0023683100000000, -0.0020799100000000, 0.0005249700000000 ] - [ 0.0003149600000000, 0.0000000000000000, -0.0002669100000000 ] - [ 0.0023683100000000, 0.0020799100000000, 0.0005249700000000 ] - [ -0.0004837000000000, 0.0000640000000000, -0.0009204300000000 ] - [ -0.0002693800000000, 0.0000000000000000, -0.0003600100000000 ] - [ -0.0004837000000000, -0.0000640000000000, -0.0009204300000000 ] - [ -0.0002793900000000, -0.0000682500000000, 0.0005103900000000 ] - [ -0.0002966000000000, 0.0000000000000000, 0.0003206800000000 ] - [ -0.0002793900000000, 0.0000682500000000, 0.0005103900000000 ] - [ 0.0004394200000000, 0.0000000000000000, 0.0007165000000000 ] - [ 0.0003696500000000, 0.0001819100000000, 0.0004639200000000 ] - [ 0.0003696500000000, -0.0001819100000000, 0.0004639200000000 ] - [ -0.0042128800000000, 0.0000000000000000, 0.0016877600000000 ] - [ 0.0002469200000000, -0.0002403700000000, -0.0003351100000000 ] - [ 0.0002469200000000, 0.0002403700000000, -0.0003351100000000 ]- atom: 61 displacement: [ 0.0014015352162634, 0.0000000000000000, -0.0099012978461196 ] forces: - [ 0.0022482700000000, -0.0011804600000000, -0.0032398200000000 ] - [ 0.0001984100000000, 0.0000000000000000, -0.0004753600000000 ] - [ 0.0022482700000000, 0.0011804600000000, -0.0032398200000000 ] - [ 0.0002120400000000, -0.0004143000000000, 0.0013863800000000 ] - [ 0.0000879400000000, 0.0000000000000000, 0.0006861000000000 ] - [ 0.0002120400000000, 0.0004143000000000, 0.0013863800000000 ] - [ -0.0007996800000000, 0.0000000000000000, 0.0028726100000000 ] - [ -0.0003296500000000, 0.0006639300000000, 0.0005331700000000 ] - [ -0.0003296500000000, -0.0006639300000000, 0.0005331700000000 ] - [ 0.0005803300000000, 0.0000000000000000, -0.0116963000000000 ] - [ -0.0002716700000000, -0.0010434700000000, -0.0003081600000000 ] - [ -0.0002716700000000, 0.0010434700000000, -0.0003081600000000 ] - [ -0.0008034300000000, 0.0000000000000000, -0.0030487500000000 ] - [ 0.0002343700000000, 0.0004044700000000, -0.0007687500000000 ] - [ 0.0002343700000000, -0.0004044700000000, -0.0007687500000000 ] - [ 0.0001125300000000, 0.0000000000000000, 0.0015293200000000 ] - [ 0.0000660700000000, -0.0003021000000000, 0.0008812700000000 ] - [ 0.0000660700000000, 0.0003021000000000, 0.0008812700000000 ] - [ 0.0001579600000000, 0.0003642000000000, 0.0007280800000000 ] - [ -0.0001204900000000, 0.0000000000000000, 0.0001562800000000 ] - [ 0.0001579600000000, -0.0003642000000000, 0.0007280800000000 ] - [ -0.0001381100000000, -0.0009826700000000, -0.0003688300000000 ] - [ -0.0001071200000000, 0.0000000000000000, -0.0004129300000000 ] - [ -0.0001381100000000, 0.0009826700000000, -0.0003688300000000 ] - [ -0.0014363400000000, 0.0000000000000000, 0.0001444400000000 ] - [ -0.0006726400000000, -0.0001491300000000, 0.0001567500000000 ] - [ -0.0006726400000000, 0.0001491300000000, 0.0001567500000000 ] - [ 0.0009779700000000, 0.0000000000000000, -0.0006379000000000 ] - [ -0.0002144100000000, 0.0000187400000000, 0.0000956800000000 ] - [ -0.0002144100000000, -0.0000187400000000, 0.0000956800000000 ] - [ 0.0019910000000000, -0.0006909800000000, -0.0014886800000000 ] - [ 0.0001407400000000, 0.0000000000000000, -0.0000504900000000 ] - [ 0.0019910000000000, 0.0006909800000000, -0.0014886800000000 ] - [ -0.0017703600000000, 0.0001814100000000, 0.0005359300000000 ] - [ -0.0002193500000000, 0.0000000000000000, 0.0000650300000000 ] - [ -0.0017703600000000, -0.0001814100000000, 0.0005359300000000 ] - [ 0.0044073600000000, 0.0000000000000000, -0.0019182900000000 ] - [ 0.0015745000000000, -0.0007732500000000, -0.0007178000000000 ] - [ 0.0015745000000000, 0.0007732500000000, -0.0007178000000000 ] - [ -0.0003050500000000, 0.0000000000000000, -0.0017521500000000 ] - [ 0.0012635000000000, 0.0001845100000000, -0.0006319700000000 ] - [ 0.0012635000000000, -0.0001845100000000, -0.0006319700000000 ] - [ -0.0026378200000000, -0.0022339400000000, -0.0011766200000000 ] - [ -0.0012479600000000, 0.0000000000000000, 0.0004768300000000 ] - [ -0.0026378200000000, 0.0022339400000000, -0.0011766200000000 ] - [ -0.0001290800000000, 0.0013739900000000, -0.0008030900000000 ] - [ -0.0010407200000000, 0.0000000000000000, 0.0001789900000000 ] - [ -0.0001290800000000, -0.0013739900000000, -0.0008030900000000 ] - [ 0.0001176500000000, -0.0006792800000000, -0.0002504200000000 ] - [ 0.0010865900000000, 0.0000000000000000, -0.0002330400000000 ] - [ 0.0001176500000000, 0.0006792800000000, -0.0002504200000000 ] - [ 0.0022820400000000, 0.0001204700000000, -0.0010702000000000 ] - [ 0.0012922100000000, 0.0000000000000000, -0.0005015200000000 ] - [ 0.0022820400000000, -0.0001204700000000, -0.0010702000000000 ] - [ 0.0005108900000000, 0.0000000000000000, -0.0001960900000000 ] - [ -0.0007695700000000, -0.0000931700000000, 0.0002711500000000 ] - [ -0.0007695700000000, 0.0000931700000000, 0.0002711500000000 ] - [ -0.0018218500000000, 0.0000000000000000, 0.0003283800000000 ] - [ -0.0011116900000000, 0.0003094700000000, 0.0000769000000000 ] - [ -0.0011116900000000, -0.0003094700000000, 0.0000769000000000 ] - [ -0.0065983100000000, 0.0000000000000000, 0.0309139900000000 ] - [ -0.0004118000000000, -0.0000534400000000, 0.0006764700000000 ] - [ -0.0004118000000000, 0.0000534400000000, 0.0006764700000000 ] - [ -0.0002670200000000, 0.0000000000000000, -0.0007227100000000 ] - [ -0.0002812400000000, 0.0000742400000000, -0.0004405200000000 ] - [ -0.0002812400000000, -0.0000742400000000, -0.0004405200000000 ] - [ 0.0003877400000000, -0.0001201200000000, -0.0005160100000000 ] - [ 0.0003774000000000, 0.0000000000000000, -0.0003078400000000 ] - [ 0.0003877400000000, 0.0001201200000000, -0.0005160100000000 ] - [ -0.0017867900000000, 0.0020908600000000, -0.0004960000000000 ] - [ 0.0002794100000000, 0.0000000000000000, 0.0002934700000000 ] - [ -0.0017867900000000, -0.0020908600000000, -0.0004960000000000 ] - [ -0.0001101900000000, -0.0000661500000000, 0.0008999500000000 ] - [ -0.0003242700000000, 0.0000000000000000, 0.0003370300000000 ] - [ -0.0001101900000000, 0.0000661500000000, 0.0008999500000000 ] - [ -0.0003144900000000, 0.0000692900000000, -0.0005372600000000 ] - [ -0.0002965500000000, 0.0000000000000000, -0.0003463700000000 ] - [ -0.0003144900000000, -0.0000692900000000, -0.0005372600000000 ] - [ 0.0001554600000000, 0.0000000000000000, -0.0006948900000000 ] - [ 0.0002250800000000, -0.0001815300000000, -0.0004409800000000 ] - [ 0.0002250800000000, 0.0001815300000000, -0.0004409800000000 ] - [ 0.0048663900000000, 0.0000000000000000, -0.0016860700000000 ] - [ 0.0003465300000000, 0.0002410300000000, 0.0003624900000000 ] - [ 0.0003465300000000, -0.0002410300000000, 0.0003624900000000 ]