AtomicScaleSample(id='sample:e2d008f0-b915-4784-969a-026377e077cc', label=None, pid='http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample', material=Material(id=None, label=None, pid=None, element_ratio={'Fe': 1.0}, crystal_structure=CrystalStructure(id=None, label=None, pid=None, name=None, spacegroup_symbol='Im-3m', spacegroup_number=229, unit_cell=UnitCell(id=None, label=None, pid=None, bravais_lattice='https://www.wikidata.org/wiki/Q851536', lattice_parameter=[2.87, 2.87, 2.87], angle=[90.0, 90.0, 90.0]))), simulation_cell=SimulationCell(id=None, label=None, pid=None, volume=DataProperty[float](id=None, label=None, value=23.64, pid=None, unit=None, basename=None), number_of_atoms=2, length=[2.87, 2.87, 2.87], vector=[[2.87, 0.0, 0.0], [0.0, 2.87, 0.0], [0.0, 0.0, 2.87]], angle=[90.0, 90.0, 90.0], repetitions=[1, 1, 1], grain_size=None, number_of_grains=None), atom_attribute=AtomAttribute(id=None, label=None, pid='http://purls.helmholtz-metadaten.de/cmso/AtomAttribute', position=[[0.0, 0.0, 0.0], [1.435, 1.435, 1.435]], species=['Fe', 'Fe']), point_defect=None, vacancy=None, substitutional=None, interstitial=None, dislocation=None, edge_dislocation=None, screw_dislocation=None, mixed_dislocation=None, stacking_fault=None, grain_boundary=None, tilt_grain_boundary=None, twist_grain_boundary=None, symmetric_tilt_grain_boundary=None, mixed_grain_boundary=None, calculated_property=[CalculatedProperty(id='property:calculatedproperty_6560d1df-72a1-4a29-baf9-c91595f9266d', label=None, value=None, pid=None, unit=None, basename='CalculatedProperty', graph=None, associate_to_sample=None)], defect_complex=None)
