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..
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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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bader
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boltztrap
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chemenv
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chgden
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cohp
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critic2
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fe_monomer
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feff_dist_test
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feff_reci_dos
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grain_boundary
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graphs
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lammps
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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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path_finder
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phonopy
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qchem
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relaxation
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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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ATOMS
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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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CaO_2605_bandstructure.json
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CaO_2605_structure.json
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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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Cu2O_361_bandstructure.json
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Cu_30_bandstructure.json
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DYNMAT
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DiffusionAnalyzer.json
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DiffusionAnalyzer_NPT.json
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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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EnumerateTest.json
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Fe.cif
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Fe2O3_exp.json
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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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HEADER
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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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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_Si_bands
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LOCPOT
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La4Fe4O12.cif
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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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LiMn2O4.json
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LiTiO2_batt.json
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Li_no_projected.xml
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MgVO_batt.json
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Mg_batt.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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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.NiO_SOC.gz
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OUTCAR.dielectric
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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.stopped
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OUTCAR.total_tensor.Li2O.gz
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OUTCAR_fc
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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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POSCAR
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POSCAR.Al12O18
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POSCAR.Li2O
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POSCAR.LiFePO4
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POSCAR.symbols_natoms_multilines
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POSCAR.tricky_symmetry
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POTCAR
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POTCAR.Fe3O4
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POTCAR.LiFePO4.gz
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POTCAR2.LiFePO4.gz
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POTENTIALS
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PROCAR
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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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TiO2_entries.json
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TiO2_super.json
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V2O3.cif
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VBr2_971787_bandstructure.json
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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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XDATCAR.MD
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XDATCAR_4
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XDATCAR_5
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acetylene.xyz
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assimilated.json
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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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complete_dos.json
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costdb_1.csv
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costdb_2.csv
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dos_spin_polarization_mp-865805.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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garnet.cif
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hex_1170.cif
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ieee_conversion_data.json
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input1.xml
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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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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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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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test_toec_data.json
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transformations.json
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vasprun.BSE.xml.gz
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vasprun.GW0.xml
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vasprun.charged.xml
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vasprun.xml
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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_bad
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vasprun.xml.indirect.gz
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vasprun.xml.magmom_ldau
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vasprun.xml.nonlm
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vasprun.xml.opticaltransitions
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vasprun.xml.sc_overflow
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vasprun.xml.unconverged
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vasprun.xml.uniform
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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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xmu.dat
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