..
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BTO_221_99_polarization
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POT_GGA_PAW_PBE
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POT_GGA_PAW_PBE_52
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POT_GGA_PAW_PBE_54
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POT_LDA_PAW
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Zr_Vasprun
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abinit
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absorption
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bader
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boltztrap
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boltztrap2
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chargemol
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chemenv
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chgden
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cohp
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correction_calculator
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cp2k
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critic2
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defect
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fe_monomer
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feff_dist_test
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feff_reci_dos
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fragmenter_files
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functional_groups
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grain_boundary
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graphs
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grid_data_files
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gruneisen
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ion_placer_files
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lammps
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magnetic_orderings
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mcsqs
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modified_potcars_data
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modified_potcars_header
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molecules
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neb_analysis
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nmr
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nwchem
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packmol
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path_finder
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phonopy
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piezo_sensitivity
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qchem
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relaxation
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reproduce_eps
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res
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scan_relaxation
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shengbte
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site_symmetries
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space_group_structs
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spectrum_test
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static_silicon
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struct_predictor
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surface_tests
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thermal_displacement_matrices
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wrong_potcars
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xtb
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.pytest-split-durations
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ATOMS
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AgO_kpath_test.cif
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Al3F9.json
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Al3F9_distorted.json
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C26H16BeN2O2S2.cif
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CHGCAR.Fe3O4
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CHGCAR.Fe3O4_ref
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CHGCAR.NiO_SOC.gz
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CHGCAR.nospin
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CHGCAR.spin
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CONTCAR.Li2O
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CONTCAR.MD
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CON_vesta.xyz
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C_48_bandstructure.json
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CaMoO2_batt.json
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CaO_2605_bandstructure.json
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CaO_2605_structure.json
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Co8.cif
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CoO19128.cif
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Cod_2100513.cif
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Cod_4115344.cif
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CsI3Pb.cif
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CsSnI3.cif
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Cu2O_361_bandstructure.json
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Cu2O_361_bandstructure_continuous.json.gz
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Cu7Te5.cif
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CuCl.cif
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Cu_30_bandstructure.json
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DOSCAR.lobster.nonspin
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DOSCAR.lobster.nonspinzip.gz
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DOSCAR.lobster.spin
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DYNMAT
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EDI.cssr
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EDI.xr
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EDI_oxistate_decorated.cssr
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EDI_voro.xyz
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EIGENVAL.gz
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EIGENVAL.ispin2.gz
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EIGENVAL_separate_spins.gz
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ELFCAR.gz
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EnumerateTest.json
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Fe.cif
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Fe2O3_exp.json
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Fe310.json.gz
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Fe3O4.cif
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FeF3_batt.json
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FePO4a.cif
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Graphite.cif
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H6PbCI3N_mp-977013_symmetrized.cif
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HEADER
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IBZKPT.lobster
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ICSD59959.cif
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INCAR
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INCAR.2
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INCAR.3
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INCAR.C2.gz
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INCAR.lobster
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INCAR.lobster2
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INCAR.lobster3
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InN_22205_bandstructure.json
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KPOINTS
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KPOINTS.auto
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KPOINTS.band
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KPOINTS.cartesian
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KPOINTS.explicit
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KPOINTS.explicit_tet
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KPOINTS.forcehybridlikecalc
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KPOINTS_Si_bands
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KPOINTS_band.lobster
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LOCPOT
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La2CoO4.cif
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La4Fe4O12.cif
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LaMnO3_magnetic.mcif
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Li-Fe-P-O_entries.json
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Li.cif
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Li10GeP2S12.cif
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Li2O.cif
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Li3GaPCO7.json
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Li4Fe3Mn1(PO4)4.cif
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Li4Fe3Mn1(PO4)4.json
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Li8Fe2NiCoO8.cif
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LiCoO2_batt.json
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LiFePO4.cif
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LiFePO4.vasp
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LiMn2O4.json
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LiTiO2_batt.json
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Li_no_projected.xml
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LobsterCompleteDos_MnO.json
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LobsterCompleteDos_MnO_nonspin.json
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LobsterCompleteDos_nonspin.json
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LobsterCompleteDos_spin.json
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MP2020Compatibility_alternate.yaml
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MgNiF6.cif
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MgVO_batt.json
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Mg_batt.json
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Mn-O_entries.json
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Mn3Ge_IR2.mcif
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MnO2_batt.json
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MultiStructure.cif
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N2_12103_bandstructure.json
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Na2Fe2PAsO4S4.json
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Na2Fe2PNO4Se4.json
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NaCl_complete_ph_dos.json
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NaCl_ph_dos.json
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NaCl_phonon_bandstructure.json
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NiO_19009_bandstructure.json
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OSZICAR
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OUTCAR
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OUTCAR.Al
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OUTCAR.BaTiO3.polar
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OUTCAR.CL
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OUTCAR.LOPTICS
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OUTCAR.LOPTICS.vasp544
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OUTCAR.LaSnNO2.polar
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OUTCAR.LinearResponseU.gz
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OUTCAR.NiO_SOC.gz
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OUTCAR.bad_core_poten.gz
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OUTCAR.dielectric
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OUTCAR.electrostaticerror.gz
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OUTCAR.etest1.gz
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OUTCAR.etest2.gz
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OUTCAR.etest3.gz
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OUTCAR.etest4.gz
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OUTCAR.gz
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OUTCAR.icorelevel
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OUTCAR.lepsilon
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OUTCAR.lepsilon.gz
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OUTCAR.lepsilon_old_born
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OUTCAR.lepsilon_old_born.gz
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OUTCAR.serial.gz
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OUTCAR.stopped
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OUTCAR.total_tensor.Li2O.gz
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OUTCAR.vasp.6.2.0
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OUTCAR.vasp.6.2.1.mpi
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OUTCAR_fc
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OUTCAR_merged_numbers
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OUTCAR_merged_numbers2
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OneLineSymmP1.cif
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P24Ru4H252C296S24N16.cif
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PARAMETERS
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PARAMETERS.2
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PF_sd_1002871.cif
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PF_sd_1011081.cif
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PF_sd_1500382.cif
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PF_sd_1601634.cif
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PF_sd_1615854.cif
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PF_sd_1622133.cif
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PF_sd_1704003.cif
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PF_sd_1811457.cif
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PF_sd_1908491.cif
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PF_sd_1928405.cif
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PH7CN3O3F.json.gz
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POSCAR
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POSCAR.Al12O18
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POSCAR.C2.gz
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POSCAR.CdS_HSE
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POSCAR.Fe3O4
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POSCAR.Li2O
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POSCAR.LiFePO4
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POSCAR.MnO
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POSCAR.O2
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POSCAR.lobster.nonspin_DOS
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POSCAR.lobster.nonspin_DOSzip.gz
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POSCAR.lobster.spin_DOS
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POSCAR.symbols_natoms_multilines
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POSCAR.tricky_symmetry
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POSCAR_bcc
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POSCAR_fcc
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POSCAR_hcp
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POSCAR_overlap
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POTCAR
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POTCAR.C2.gz
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POTCAR.Fe3O4
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POTCAR.LiFePO4.gz
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POTCAR.spec
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POTCAR.split.charged.gz
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POTCAR2.LiFePO4.gz
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POTENTIALS
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PROCAR
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PROCAR.new_format_5.4.4
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PROCAR.phase
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PROCAR.simple
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Senegalite_implicit_hydrogen.cif
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Si.cssr
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Si.pwscf.out
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Si_phonon_bandstructure.json
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Sn_def_stress.json
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SrBa2Sn2O7.json
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SrTiO3_phonon_bandstructure.json
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TiO2_entries.json
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TiO2_super.json
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Traj_Combine_Test_XDATCAR_1
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Traj_Combine_Test_XDATCAR_2
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Traj_Combine_Test_XDATCAR_Full
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Traj_XDATCAR
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UNK.H2.ncl
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UNK.N2.std
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UNK.ncl
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UNK.std
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V2O3.cif
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VBr2_971787_bandstructure.json
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WAVECAR.H2.ncl
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WAVECAR.H2_low_symm
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WAVECAR.H2_low_symm.gamma
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WAVECAR.N2
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WAVECAR.N2.45210
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WAVECAR.N2.malformed
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WAVECAR.N2.spin
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WAVECAR.frac_encut
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WAVEDER
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WAVEDER.Si
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WAVEDERF.Si
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WSWQ.gz
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XDATCAR.MD
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XDATCAR_4
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XDATCAR_5
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XDATCAR_6
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acetylene.xyz
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assimilated.json
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bad-unicode-gh-2947.mcif
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bad_occu.cif
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bad_vasprun.xml
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bcc_1927.cif
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benzene.xyz
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bs_ZnS_old.json
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btet_1915.cif
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cif_finite_precision_frac_coord_error.cif
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cif_implicit_hydrogens_cod_1011130.cif
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complete_cohp_lobster.json
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complete_dos.json
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complete_dos_limits.json
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costdb_1.csv
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costdb_2.csv
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cube-gh-2817.xyz
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dos_spin_polarization_mp-865805.json
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entries_thermo_type_GGA_GGA_U_R2SCAN.json
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example21.gout
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feff.inp
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feff_eels_powder.inp
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feff_eels_x.inp
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feff_radial_shell.xyz
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fit_symm_s1.vasp
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fit_symm_s2.vasp
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garnet.cif
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hex_1170.cif
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ieee_conversion_data.json
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input_exciting1.xml
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input_exciting2.xml
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ir_spectra_mp-991652_DDB.json
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ldos00.dat
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ldos01.dat
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ldos02.dat
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lifepo4.xml
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log_fiesta
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magnetic.disordered.example.CuMnO2.mcif
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magnetic.example.NiO.mcif
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magnetic.incommensurate.example.Cr.mcif
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magnetic.ncl.example.GdB4.mcif
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magnetic_deformation.json
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monoc_1028.cif
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mp-554015.json.gz
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mp1048_defect_formation_energies.json
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mp1048_raw_defect_energies.json
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mp1487_raw_defect_energies.json
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multicomp_pbx.json
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multiple_frame_xyz.xyz
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nosymm.cif
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orac_632475.cif
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orcc_1003.cif
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orci_1010.cif
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outcar_vasp_6.3.gz
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pdag3_complete_dos.json.gz
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pourbaix_test_data.json
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rhomb_1170.cif
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rhomb_3478.cif
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rhomb_3478_conv.cif
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sio2.pw.in
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site_type_symbol_test.cif
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srycoo.cif
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structure_CO2.json
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structure_KF.json
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structure_MnO.json
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template_input_file.txt
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test_toec_data.json
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transformations.json
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tric_684654.json
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vasprun.BSE.xml.gz
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vasprun.GW0.xml
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vasprun.bad_random_seed.xml
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vasprun.charged.xml
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vasprun.lvel.Si2H.xml
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vasprun.split.charged.xml
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vasprun.xml
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vasprun.xml.Al
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vasprun.xml.C2.gz
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vasprun.xml.LiF
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vasprun.xml.LiH_bad_efermi
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vasprun.xml.bad_fermi.gz
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vasprun.xml.chi.gz
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vasprun.xml.dfpt
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vasprun.xml.dfpt.ionic
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vasprun.xml.dfpt.phonon
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vasprun.xml.dfpt.unconverged
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vasprun.xml.dielectric
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vasprun.xml.dielectric_5.4.4
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vasprun.xml.dielectric_6.0.8
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vasprun.xml.dielectric_bad
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vasprun.xml.etest1.gz
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vasprun.xml.etest2.gz
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vasprun.xml.etest3.gz
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vasprun.xml.etest4.gz
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vasprun.xml.forcehybridlikecalc
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vasprun.xml.hse06
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vasprun.xml.indirect.gz
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vasprun.xml.int_Te_SOC.gz
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vasprun.xml.lobster.nonspin
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vasprun.xml.lobster.spin
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vasprun.xml.magmom_ldau
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vasprun.xml.ml_md
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vasprun.xml.nonlm
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vasprun.xml.opticaltransitions
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vasprun.xml.pbesol
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vasprun.xml.pbesol_vdw
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vasprun.xml.r2scan
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vasprun.xml.random
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vasprun.xml.rscan
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vasprun.xml.sc_overflow
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vasprun.xml.scan
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vasprun.xml.scan_rvv10
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vasprun.xml.unconverged
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vasprun.xml.uniform
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vasprun.xml.unknown
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vasprun.xml.vdw
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vasprun.xml.wrong_sp
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vasprun.xml.xe
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vasprun_Si_bands.xml
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vasprun_eig_separate_spins.xml.gz
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xmu.dat
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