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8.812539999999998 6.609404999999999\n4.406269999999999 8.812539999999998 11.015674999999998\n8.812539999999998 0.0 2.203135\n8.812539999999998 0.0 6.609404999999999\n8.812539999999998 0.0 11.015674999999998\n4.406269999999999 4.406269999999999 11.015674999999998\n11.015674999999998 8.812539999999998 8.812539999999998\n"</poscar_conv><contcar>"MnO\n1.0\n2.6982807003848452 -2.19567473e-08 1.5578526489639946\n0.8994275300301254 2.5439629290889387 1.5578526489639963\n-1.39116568e-08 -9.837023e-09 3.115704346119377\nMn O\n1 1\nCartesian\n0.0 0.0 0.0\n1.798855 1.27198 3.1157\n"</contcar><cif>"CIF file written using JARVIS-Tools package.\ndata_MnO\n_symmetry_space_group_name_H-M  'Fm-3m'\n_cell_length_a       3.1157\n_cell_length_b       3.1157\n_cell_length_c       3.1157\n_cell_angle_alpha    60\n_cell_angle_beta     60\n_cell_angle_gamma    60\n\n_symmetry_Int_Tables_number  225\n_chemical_formula_structural  MnO\n_chemical_formula_sum  MnO\n_cell_volume  21.387210726345117\n_cell_formula_units_Z  1\nloop_\n  _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_fract_occupancy\n Mn  Mn1  1  -0.00000  0.00000  0.00000  1\n O  O1  1  0.50000  0.50000  0.50000  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<main_boltz><boltztrap_info><pseeb>'16.98,16.98,16.98'</pseeb><pcond>'3794382.52,3794375.85,3794372.13'</pcond><ppf>'1094.53,1094.53,1094.53'</ppf><pkappa>'5511358563158072.0,5511348822076393.0,5511343414765534.0'</pkappa><nseeb>'17.13,17.13,17.13'</nseeb><ncond>'3775735.0,3775728.35,3775724.65'</ncond><npf>'1107.42,1107.42,1107.42'</npf><nkappa>'5490617083617843.0,5490607408941625.0,5490602007440538.0'</nkappa></boltztrap_info></main_boltz>
<main_lepsilon_info></main_lepsilon_info>
<main_spillage_info></main_spillage_info>
<efg_raw_tensor>'Mn,a,-0.0,0.0,-0.0,0.0,-0.0,0.0,-0.0,0.0,-0.0;O,b,-0.0,0.0,-0.0,0.0,-0.0,-0.0,-0.0,-0.0,-0.0;'</efg_raw_tensor><max_efg>'0.0'</max_efg><max_efg_eta>''</max_efg_eta>
<main_stm_pos>''</main_stm_pos><main_stm_neg>''</main_stm_neg></basic_info>
