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Data_non_vdW_2D_H2O_passivation_RODARE_v2
- ternaries
  - 001_facet_Ag1Bi1O3_ICSD_91777_PBE_U_ICSD_relax_ions_cell_shape_Ag_term
  - 001_facet_Cd1O3Ti1_ICSD_15989_PBE_U_ICSD_relax_ions_cell_shape_Cd_term
    - passivation_H2O_full
      - AECCAR0.bands.xz 16.7 MB
      - AECCAR0.static.xz 16.7 MB
      - AECCAR1.bands.xz 13.8 MB
      - AECCAR1.static.xz 13.8 MB
      - AECCAR2.bands.xz 8.9 MB
      - AECCAR2.static.xz 8.9 MB
      - CHG.static.xz 4.7 MB
      - CHGCAR.static.xz 12.2 MB
      - CONTCAR.bands.xz 708 Bytes
      - CONTCAR.relax1.xz 712 Bytes
      - CONTCAR.relax2.xz 704 Bytes
      - CONTCAR.relax3.xz 704 Bytes
      - CONTCAR.relax4.xz 712 Bytes
      - CONTCAR.relax5.xz 708 Bytes
      - CONTCAR.relax6.xz 712 Bytes
      - CONTCAR.static.xz 708 Bytes
      - DOSCAR.bands.xz 6.5 kB
      - DOSCAR.relax1.xz 9.3 kB
      - DOSCAR.relax2.xz 9.6 kB
      - DOSCAR.relax3.xz 8.1 kB
      - DOSCAR.relax4.xz 7.9 kB
      - DOSCAR.relax5.xz 8.0 kB
      - DOSCAR.relax6.xz 8.0 kB
      - DOSCAR.static.xz 70.3 kB
      - EIGENVAL.bands.xz 94.0 kB
      - EIGENVAL.relax1.xz 3.9 kB
      - EIGENVAL.relax2.xz 4.1 kB
      - EIGENVAL.relax3.xz 3.5 kB
      - EIGENVAL.relax4.xz 3.5 kB
      - EIGENVAL.relax5.xz 3.5 kB
      - EIGENVAL.relax6.xz 3.5 kB
      - EIGENVAL.static.xz 10.1 kB
      - IBZKPT.relax1.xz 156 Bytes
      - IBZKPT.relax2.xz 156 Bytes
      - IBZKPT.relax3.xz 156 Bytes
      - IBZKPT.relax4.xz 156 Bytes
      - IBZKPT.relax5.xz 156 Bytes
      - IBZKPT.relax6.xz 156 Bytes
      - IBZKPT.static.xz 376 Bytes
      - INCAR.bands.xz 1.9 kB
      - INCAR.orig.xz 208 Bytes
      - INCAR.relax1.xz 1.2 kB
      - INCAR.relax2.xz 1.2 kB
      - INCAR.relax3.xz 1.3 kB
      - INCAR.relax4.xz 1.3 kB
      - INCAR.relax5.xz 1.3 kB
      - INCAR.relax6.xz 1.3 kB
      - INCAR.static.xz 1.7 kB
      - KPOINTS.bands.xz 232 Bytes
      - KPOINTS.relax1.xz 180 Bytes
      - KPOINTS.relax2.xz 180 Bytes
      - KPOINTS.relax3.xz 180 Bytes
      - KPOINTS.relax4.xz 180 Bytes
      - KPOINTS.relax5.xz 180 Bytes
      - KPOINTS.relax6.xz 180 Bytes
      - KPOINTS.static.xz 180 Bytes
      - LOCK 90.8 kB
      - LOCK.3.2.14+2D_KPPRA 90.8 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.1 kB
        
        DOSCAR.xz 70.1 kB
        
        EIGENVAL.xz 1.8 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 776 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 1.1 MB
        
        OUTCAR.xz 68.8 MB
        
        PCDAT.xz 4.0 kB
        
        POSCAR.xz 896 Bytes
        
        PROCAR.xz 52.2 kB
        
        REPORT.xz 198.8 kB
        
        XDATCAR.xz 9.1 MB
        
        vasp.out.xz 1.1 MB
        
        vaspout.h5.xz 64.2 MB
        
        vasprun.xml.xz 29.4 MB
      - OSZICAR.bands.xz 384 Bytes
      - OSZICAR.relax1.xz 13.6 kB
      - OSZICAR.relax2.xz 3.3 kB
      - OSZICAR.relax3.xz 888 Bytes
      - OSZICAR.relax4.xz 888 Bytes
      - OSZICAR.relax5.xz 888 Bytes
      - OSZICAR.relax6.xz 900 Bytes
      - OSZICAR.static.xz 780 Bytes
      - OUTCAR.bands.xz 67.3 kB
      - OUTCAR.relax1.xz 307.9 kB
      - OUTCAR.relax2.xz 109.9 kB
      - OUTCAR.relax3.xz 23.1 kB
      - OUTCAR.relax4.xz 23.4 kB
      - OUTCAR.relax5.xz 23.2 kB
      - OUTCAR.relax6.xz 23.4 kB
      - OUTCAR.static.xz 22.2 kB
      - PCDAT.bands.xz 184 Bytes
      - PCDAT.relax1.xz 180 Bytes
      - PCDAT.relax2.xz 184 Bytes
      - PCDAT.relax3.xz 180 Bytes
      - PCDAT.relax4.xz 180 Bytes
      - PCDAT.relax5.xz 184 Bytes
      - PCDAT.relax6.xz 184 Bytes
      - PCDAT.static.xz 184 Bytes
      - POSCAR.bands.xz 708 Bytes
      - POSCAR.orig.xz 464 Bytes
      - POSCAR.relax1.xz 556 Bytes
      - POSCAR.relax2.xz 712 Bytes
      - POSCAR.relax3.xz 704 Bytes
      - POSCAR.relax4.xz 704 Bytes
      - POSCAR.relax5.xz 712 Bytes
      - POSCAR.relax6.xz 708 Bytes
      - POSCAR.static.xz 692 Bytes
      - PROCAR.bands.xz 1.1 MB
      - PROCAR.relax1.xz 45.8 kB
      - PROCAR.relax2.xz 46.7 kB
      - PROCAR.relax3.xz 43.9 kB
      - PROCAR.relax4.xz 43.8 kB
      - PROCAR.relax5.xz 43.9 kB
      - PROCAR.relax6.xz 43.9 kB
      - PROCAR.static.xz 153.9 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 444 Bytes
      - XDATCAR.relax1.xz 9.0 kB
      - XDATCAR.relax2.xz 4.1 kB
      - XDATCAR.relax3.xz 756 Bytes
      - XDATCAR.relax4.xz 768 Bytes
      - XDATCAR.relax5.xz 756 Bytes
      - XDATCAR.relax6.xz 732 Bytes
      - XDATCAR.static.xz 444 Bytes
      - aflow.agroup.out.xz 2.0 kB
      - aflow.end.out 216 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 740 Bytes
      - aflow.in 36.6 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 1.2 kB
      - aflow.pgroupk_Patterson.out.xz 1.1 kB
      - aflow.pgroupk_xtal.out.xz 1.1 kB
      - aflow.pseudopotential_auid.out.xz 192 Bytes
      - aflow.qmvasp.out.xz 4.6 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 16.0 kB
      - vasp.out.relax2.xz 4.9 kB
      - vasp.out.relax3.xz 1.8 kB
      - vasp.out.relax4.xz 1.8 kB
      - vasp.out.relax5.xz 1.8 kB
      - vasp.out.relax6.xz 1.8 kB
      - vasp.out.static.xz 1.5 kB
      - vasprun.xml.bands.xz 1.3 MB
      - vasprun.xml.relax1.xz 89.3 kB
      - vasprun.xml.relax2.xz 66.2 kB
      - vasprun.xml.relax3.xz 52.9 kB
      - vasprun.xml.relax4.xz 52.7 kB
      - vasprun.xml.relax5.xz 52.9 kB
      - vasprun.xml.relax6.xz 52.8 kB
      - vasprun.xml.static.xz 222.0 kB
  - 001_facet_Ge1Mn1O3_ICSD_69591_PBE_U_ICSD_relax_ions_cell_shape_Mn_term_water_solvation
    - AECCAR0.bands.xz 15.1 MB
    - AECCAR0.static.xz 15.1 MB
    - AECCAR1.bands.xz 14.6 MB
    - AECCAR1.static.xz 14.6 MB
    - AECCAR2.bands.xz 13.1 MB
    - AECCAR2.static.xz 12.5 MB
    - BANDS_DOS
      - CHG.static.xz 10.4 MB
      - CHGCAR.static.xz 25.5 MB
      - CONTCAR.bands.xz 404 Bytes
      - CONTCAR.static.xz 404 Bytes
      - DOSCAR.bands.xz 8.4 kB
      - DOSCAR.static.xz 74.2 kB
      - EIGENVAL.bands.xz 67.8 kB
      - EIGENVAL.static.xz 18.3 kB
      - IBZKPT.static.xz 928 Bytes
      - INCAR.bands.xz 1.9 kB
      - INCAR.orig.xz 204 Bytes
      - INCAR.static.xz 1.7 kB
      - KPOINTS.bands.xz 228 Bytes
      - KPOINTS.static.xz 96 Bytes
      - LOCK 51.6 kB
      - LOCK.4.0.5-61708c8 51.6 kB
      - OSZICAR.bands.xz 384 Bytes
      - OSZICAR.static.xz 904 Bytes
      - OUTCAR.bands.xz 42.8 kB
      - OUTCAR.static.xz 24.5 kB
      - PCDAT.bands.xz 172 Bytes
      - PCDAT.static.xz 172 Bytes
      - POSCAR.bands.xz 404 Bytes
      - POSCAR.orig.xz 396 Bytes
      - POSCAR.static.xz 464 Bytes
      - PROCAR.bands.xz 667.0 kB
      - PROCAR.static.xz 235.6 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 256 Bytes
      - XDATCAR.static.xz 256 Bytes
      - aflow.agroup.out.xz 1.3 kB
      - aflow.end.out 213 Bytes
      - aflow.fgroup.out.xz 1.3 kB
      - aflow.iatoms.out.xz 556 Bytes
      - aflow.in 22.4 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 1.1 kB
      - aflow.pgroupk_Patterson.out.xz 1.1 kB
      - aflow.pgroupk_xtal.out.xz 1.1 kB
      - aflow.pseudopotential_auid.out.xz 164 Bytes
      - aflow.qmvasp.out.xz 960 Bytes
      - vasp.out.bands.xz 4.6 kB
      - vasp.out.static.xz 13.0 kB
      - vasprun.xml.bands.xz 660.1 kB
      - vasprun.xml.static.xz 248.8 kB
    - CHG.static.xz 10.4 MB
    - CHGCAR.static.xz 25.4 MB
    - CONTCAR.bands.xz 408 Bytes
    - CONTCAR.relax1.xz 420 Bytes
    - CONTCAR.relax2.xz 420 Bytes
    - CONTCAR.static.xz 408 Bytes
    - DOSCAR.bands.xz 8.4 kB
    - DOSCAR.relax1.xz 9.6 kB
    - DOSCAR.relax2.xz 12.5 kB
    - DOSCAR.static.xz 71.6 kB
    - EIGENVAL.bands.xz 66.8 kB
    - EIGENVAL.relax1.xz 5.3 kB
    - EIGENVAL.relax2.xz 5.7 kB
    - EIGENVAL.static.xz 20.4 kB
    - IBZKPT.relax1.xz 180 Bytes
    - IBZKPT.relax2.xz 180 Bytes
    - IBZKPT.static.xz 2.1 kB
    - INCAR.bands.xz 1.8 kB
    - INCAR.orig.xz 204 Bytes
    - INCAR.relax1.xz 1.2 kB
    - INCAR.relax2.xz 1.2 kB
    - INCAR.static.xz 1.7 kB
    - KPOINTS.bands.xz 228 Bytes
    - KPOINTS.relax1.xz 168 Bytes
    - KPOINTS.relax2.xz 168 Bytes
    - KPOINTS.static.xz 172 Bytes
    - LOCK 67.3 kB
    - LOCK.4.0.5-61708c8 67.3 kB
    - OSZICAR.bands.xz 384 Bytes
    - OSZICAR.relax1.xz 5.2 kB
    - OSZICAR.relax2.xz 1.8 kB
    - OSZICAR.static.xz 900 Bytes
    - OUTCAR.bands.xz 43.0 kB
    - OUTCAR.relax1.xz 88.4 kB
    - OUTCAR.relax2.xz 38.9 kB
    - OUTCAR.static.xz 24.9 kB
    - PCDAT.bands.xz 172 Bytes
    - PCDAT.relax1.xz 172 Bytes
    - PCDAT.relax2.xz 172 Bytes
    - PCDAT.static.xz 172 Bytes
    - POSCAR.bands.xz 408 Bytes
    - POSCAR.orig.xz 440 Bytes
    - POSCAR.relax1.xz 472 Bytes
    - POSCAR.relax2.xz 420 Bytes
    - POSCAR.static.xz 432 Bytes
    - PROCAR.bands.xz 666.6 kB
    - PROCAR.relax1.xz 55.6 kB
    - PROCAR.relax2.xz 59.7 kB
    - PROCAR.static.xz 241.3 kB
    - REPORT.xz 32 Bytes
    - XDATCAR.bands.xz 256 Bytes
    - XDATCAR.relax1.xz 984 Bytes
    - XDATCAR.relax2.xz 536 Bytes
    - XDATCAR.static.xz 256 Bytes
    - aflow.agroup.out.xz 1.3 kB
    - aflow.end.out 213 Bytes
    - aflow.fgroup.out.xz 1.3 kB
    - aflow.iatoms.out.xz 560 Bytes
    - aflow.in 22.6 kB
    - aflow.pgroup.out.xz 1.5 kB
    - aflow.pgroup_xtal.out.xz 1.1 kB
    - aflow.pgroupk_Patterson.out.xz 1.1 kB
    - aflow.pgroupk_xtal.out.xz 1.1 kB
    - aflow.pseudopotential_auid.out.xz 164 Bytes
    - aflow.qmvasp.out.xz 1.4 kB
    - passivation_H2O_full_water_solvation
      - AECCAR0.bands.xz 16.7 MB
      - AECCAR0.static.xz 16.7 MB
      - AECCAR1.bands.xz 13.7 MB
      - AECCAR1.static.xz 13.7 MB
      - AECCAR2.bands.xz 11.5 MB
      - AECCAR2.static.xz 11.4 MB
      - CHG.static.xz 10.9 MB
      - CHGCAR.static.xz 28.8 MB
      - CONTCAR.bands.xz 760 Bytes
      - CONTCAR.relax1.xz 756 Bytes
      - CONTCAR.relax2.xz 760 Bytes
      - CONTCAR.static.xz 760 Bytes
      - DOSCAR.bands.xz 14.7 kB
      - DOSCAR.relax1.xz 10.5 kB
      - DOSCAR.relax2.xz 14.1 kB
      - DOSCAR.static.xz 151.8 kB
      - EIGENVAL.bands.xz 136.7 kB
      - EIGENVAL.relax1.xz 6.2 kB
      - EIGENVAL.relax2.xz 6.2 kB
      - EIGENVAL.static.xz 13.1 kB
      - IBZKPT.relax1.xz 148 Bytes
      - IBZKPT.relax2.xz 148 Bytes
      - IBZKPT.static.xz 372 Bytes
      - INCAR.bands.xz 1.9 kB
      - INCAR.orig.xz 204 Bytes
      - INCAR.relax1.xz 1.2 kB
      - INCAR.relax2.xz 1.2 kB
      - INCAR.static.xz 1.7 kB
      - KPOINTS.bands.xz 228 Bytes
      - KPOINTS.relax1.xz 168 Bytes
      - KPOINTS.relax2.xz 168 Bytes
      - KPOINTS.static.xz 168 Bytes
      - LOCK 69.4 kB
      - LOCK.4.0.5-61708c8 69.4 kB
      - OSZICAR.bands.xz 384 Bytes
      - OSZICAR.relax1.xz 8.3 kB
      - OSZICAR.relax2.xz 5.6 kB
      - OSZICAR.static.xz 932 Bytes
      - OUTCAR.bands.xz 76.3 kB
      - OUTCAR.relax1.xz 231.9 kB
      - OUTCAR.relax2.xz 158.7 kB
      - OUTCAR.static.xz 25.5 kB
      - PCDAT.bands.xz 176 Bytes
      - PCDAT.relax1.xz 176 Bytes
      - PCDAT.relax2.xz 172 Bytes
      - PCDAT.static.xz 176 Bytes
      - POSCAR.bands.xz 760 Bytes
      - POSCAR.orig.xz 724 Bytes
      - POSCAR.relax1.xz 756 Bytes
      - POSCAR.relax2.xz 756 Bytes
      - POSCAR.static.xz 720 Bytes
      - PROCAR.bands.xz 2.4 MB
      - PROCAR.relax1.xz 117.5 kB
      - PROCAR.relax2.xz 118.2 kB
      - PROCAR.static.xz 315.2 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 452 Bytes
      - XDATCAR.relax1.xz 5.8 kB
      - XDATCAR.relax2.xz 4.1 kB
      - XDATCAR.static.xz 452 Bytes
      - aflow.agroup.out.xz 1.9 kB
      - aflow.end.out 213 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 940 Bytes
      - aflow.in 26.3 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 1.2 kB
      - aflow.pgroupk_Patterson.out.xz 1.1 kB
      - aflow.pgroupk_xtal.out.xz 1.1 kB
      - aflow.pseudopotential_auid.out.xz 184 Bytes
      - aflow.qmvasp.out.xz 2.6 kB
      - vasp.out.bands.xz 5.1 kB
      - vasp.out.relax1.xz 251.8 kB
      - vasp.out.relax2.xz 138.2 kB
      - vasp.out.static.xz 13.8 kB
      - vasprun.xml.bands.xz 2.9 MB
      - vasprun.xml.relax1.xz 143.8 kB
      - vasprun.xml.relax2.xz 136.9 kB
      - vasprun.xml.static.xz 396.9 kB
    - vasp.out.bands.xz 4.8 kB
    - vasp.out.relax1.xz 166.6 kB
    - vasp.out.relax2.xz 36.7 kB
    - vasp.out.static.xz 13.1 kB
    - vasprun.xml.bands.xz 658.4 kB
    - vasprun.xml.relax1.xz 64.4 kB
    - vasprun.xml.relax2.xz 64.8 kB
    - vasprun.xml.static.xz 254.3 kB
  - 001_facet_Na1O3Sb1_ICSD_78416_PBE_relax_ions_cell_shape_Na_term
    - passivation_H2O_full
      - AECCAR0.bands.xz 46.1 MB
      - AECCAR0.static.xz 46.1 MB
      - AECCAR1.bands.xz 40.6 MB
      - AECCAR1.static.xz 40.6 MB
      - AECCAR2.bands.xz 30.1 MB
      - AECCAR2.static.xz 29.9 MB
      - CHG.static.xz 11.1 MB
      - CHGCAR.static.xz 33.6 MB
      - CONTCAR.bands.xz 760 Bytes
      - CONTCAR.relax1.xz 768 Bytes
      - CONTCAR.relax2.xz 772 Bytes
      - CONTCAR.relax3.xz 772 Bytes
      - CONTCAR.relax4.xz 768 Bytes
      - CONTCAR.relax5.xz 772 Bytes
      - CONTCAR.relax6.xz 776 Bytes
      - CONTCAR.static.xz 760 Bytes
      - DOSCAR.bands.xz 7.1 kB
      - DOSCAR.relax1.xz 13.5 kB
      - DOSCAR.relax2.xz 13.5 kB
      - DOSCAR.relax3.xz 8.2 kB
      - DOSCAR.relax4.xz 8.1 kB
      - DOSCAR.relax5.xz 8.2 kB
      - DOSCAR.relax6.xz 8.1 kB
      - DOSCAR.static.xz 69.0 kB
      - EIGENVAL.bands.xz 85.0 kB
      - EIGENVAL.relax1.xz 5.3 kB
      - EIGENVAL.relax2.xz 5.1 kB
      - EIGENVAL.relax3.xz 3.4 kB
      - EIGENVAL.relax4.xz 3.4 kB
      - EIGENVAL.relax5.xz 3.4 kB
      - EIGENVAL.relax6.xz 3.3 kB
      - EIGENVAL.static.xz 9.8 kB
      - IBZKPT.relax1.xz 156 Bytes
      - IBZKPT.relax2.xz 156 Bytes
      - IBZKPT.relax3.xz 156 Bytes
      - IBZKPT.relax4.xz 156 Bytes
      - IBZKPT.relax5.xz 156 Bytes
      - IBZKPT.relax6.xz 156 Bytes
      - IBZKPT.static.xz 376 Bytes
      - INCAR.bands.xz 1.9 kB
      - INCAR.orig.xz 208 Bytes
      - INCAR.relax1.xz 1.3 kB
      - INCAR.relax2.xz 1.3 kB
      - INCAR.relax3.xz 1.3 kB
      - INCAR.relax4.xz 1.3 kB
      - INCAR.relax5.xz 1.3 kB
      - INCAR.relax6.xz 1.3 kB
      - INCAR.static.xz 1.8 kB
      - KPOINTS.bands.xz 232 Bytes
      - KPOINTS.relax1.xz 180 Bytes
      - KPOINTS.relax2.xz 180 Bytes
      - KPOINTS.relax3.xz 180 Bytes
      - KPOINTS.relax4.xz 180 Bytes
      - KPOINTS.relax5.xz 180 Bytes
      - KPOINTS.relax6.xz 180 Bytes
      - KPOINTS.static.xz 180 Bytes
      - LOCK 94.3 kB
      - LOCK.3.2.14+2D_KPPRA 94.3 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.1 kB
        
        DOSCAR.xz 77.0 kB
        
        EIGENVAL.xz 1.6 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 764 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 1.0 MB
        
        OUTCAR.xz 64.1 MB
        
        PCDAT.xz 4.1 kB
        
        POSCAR.xz 948 Bytes
        
        PROCAR.xz 41.6 kB
        
        REPORT.xz 196.9 kB
        
        XDATCAR.xz 9.1 MB
        
        vasp.out.xz 1.0 MB
        
        vaspout.h5.xz 63.4 MB
        
        vasprun.xml.xz 29.4 MB
      - OSZICAR.bands.xz 360 Bytes
      - OSZICAR.relax1.xz 15.5 kB
      - OSZICAR.relax2.xz 3.6 kB
      - OSZICAR.relax3.xz 904 Bytes
      - OSZICAR.relax4.xz 840 Bytes
      - OSZICAR.relax5.xz 900 Bytes
      - OSZICAR.relax6.xz 832 Bytes
      - OSZICAR.static.xz 736 Bytes
      - OUTCAR.bands.xz 64.8 kB
      - OUTCAR.relax1.xz 352.4 kB
      - OUTCAR.relax2.xz 127.2 kB
      - OUTCAR.relax3.xz 22.1 kB
      - OUTCAR.relax4.xz 21.5 kB
      - OUTCAR.relax5.xz 22.2 kB
      - OUTCAR.relax6.xz 21.5 kB
      - OUTCAR.static.xz 21.4 kB
      - PCDAT.bands.xz 184 Bytes
      - PCDAT.relax1.xz 184 Bytes
      - PCDAT.relax2.xz 184 Bytes
      - PCDAT.relax3.xz 180 Bytes
      - PCDAT.relax4.xz 184 Bytes
      - PCDAT.relax5.xz 184 Bytes
      - PCDAT.relax6.xz 184 Bytes
      - PCDAT.static.xz 184 Bytes
      - POSCAR.bands.xz 760 Bytes
      - POSCAR.orig.xz 476 Bytes
      - POSCAR.relax1.xz 560 Bytes
      - POSCAR.relax2.xz 768 Bytes
      - POSCAR.relax3.xz 772 Bytes
      - POSCAR.relax4.xz 772 Bytes
      - POSCAR.relax5.xz 768 Bytes
      - POSCAR.relax6.xz 772 Bytes
      - POSCAR.static.xz 728 Bytes
      - PROCAR.bands.xz 1.0 MB
      - PROCAR.relax1.xz 64.7 kB
      - PROCAR.relax2.xz 56.5 kB
      - PROCAR.relax3.xz 39.4 kB
      - PROCAR.relax4.xz 39.3 kB
      - PROCAR.relax5.xz 39.2 kB
      - PROCAR.relax6.xz 39.4 kB
      - PROCAR.static.xz 137.4 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 452 Bytes
      - XDATCAR.relax1.xz 10.3 kB
      - XDATCAR.relax2.xz 4.2 kB
      - XDATCAR.relax3.xz 736 Bytes
      - XDATCAR.relax4.xz 724 Bytes
      - XDATCAR.relax5.xz 752 Bytes
      - XDATCAR.relax6.xz 708 Bytes
      - XDATCAR.static.xz 452 Bytes
      - aflow.agroup.out.xz 1.9 kB
      - aflow.end.out 215 Bytes
      - aflow.error.out.xz 280 Bytes
      - aflow.error.rmm_diis.xz 20.2 kB
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 744 Bytes
      - aflow.in 36.8 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 1.2 kB
      - aflow.pgroupk_Patterson.out.xz 1.1 kB
      - aflow.pgroupk_xtal.out.xz 1.1 kB
      - aflow.pseudopotential_auid.out.xz 192 Bytes
      - aflow.qmvasp.out.xz 4.8 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 17.9 kB
      - vasp.out.relax2.xz 5.2 kB
      - vasp.out.relax3.xz 1.8 kB
      - vasp.out.relax4.xz 1.7 kB
      - vasp.out.relax5.xz 1.8 kB
      - vasp.out.relax6.xz 1.7 kB
      - vasp.out.static.xz 1.4 kB
      - vasprun.xml.bands.xz 1.3 MB
      - vasprun.xml.relax1.xz 125.9 kB
      - vasprun.xml.relax2.xz 89.5 kB
      - vasprun.xml.relax3.xz 49.5 kB
      - vasprun.xml.relax4.xz 49.3 kB
      - vasprun.xml.relax5.xz 49.4 kB
      - vasprun.xml.relax6.xz 49.2 kB
      - vasprun.xml.static.xz 204.6 kB
  - 001_facet_Ni1O3Ti1_ICSD_33855_PBE_U_ICSD_relax_ions_cell_shape_Ni_term
    - passivation_H2O_full
      - AECCAR0.bands.xz 14.3 MB
      - AECCAR0.static.xz 14.3 MB
      - AECCAR1.bands.xz 13.2 MB
      - AECCAR1.static.xz 13.2 MB
      - AECCAR2.bands.xz 11.6 MB
      - AECCAR2.static.xz 11.3 MB
      - CHG.static.xz 10.3 MB
      - CHGCAR.static.xz 24.2 MB
      - CONTCAR.bands.xz 780 Bytes
      - CONTCAR.relax1.xz 792 Bytes
      - CONTCAR.relax2.xz 792 Bytes
      - CONTCAR.relax3.xz 800 Bytes
      - CONTCAR.relax4.xz 796 Bytes
      - CONTCAR.relax5.xz 792 Bytes
      - CONTCAR.relax6.xz 792 Bytes
      - CONTCAR.static.xz 780 Bytes
      - DOSCAR.bands.xz 12.4 kB
      - DOSCAR.relax1.xz 15.5 kB
      - DOSCAR.relax2.xz 15.4 kB
      - DOSCAR.relax3.xz 15.4 kB
      - DOSCAR.relax4.xz 15.3 kB
      - DOSCAR.relax5.xz 15.3 kB
      - DOSCAR.relax6.xz 15.3 kB
      - DOSCAR.static.xz 152.3 kB
      - EIGENVAL.bands.xz 136.8 kB
      - EIGENVAL.relax1.xz 4.2 kB
      - EIGENVAL.relax2.xz 4.2 kB
      - EIGENVAL.relax3.xz 4.6 kB
      - EIGENVAL.relax4.xz 4.3 kB
      - EIGENVAL.relax5.xz 4.5 kB
      - EIGENVAL.relax6.xz 4.2 kB
      - EIGENVAL.static.xz 15.4 kB
      - IBZKPT.relax1.xz 156 Bytes
      - IBZKPT.relax2.xz 156 Bytes
      - IBZKPT.relax3.xz 156 Bytes
      - IBZKPT.relax4.xz 160 Bytes
      - IBZKPT.relax5.xz 160 Bytes
      - IBZKPT.relax6.xz 160 Bytes
      - IBZKPT.static.xz 492 Bytes
      - INCAR.bands.xz 1.8 kB
      - INCAR.orig.xz 236 Bytes
      - INCAR.relax1.xz 1.2 kB
      - INCAR.relax2.xz 1.2 kB
      - INCAR.relax3.xz 1.2 kB
      - INCAR.relax4.xz 1.2 kB
      - INCAR.relax5.xz 1.2 kB
      - INCAR.relax6.xz 1.2 kB
      - INCAR.static.xz 1.7 kB
      - KPOINTS.bands.xz 232 Bytes
      - KPOINTS.relax1.xz 180 Bytes
      - KPOINTS.relax2.xz 180 Bytes
      - KPOINTS.relax3.xz 180 Bytes
      - KPOINTS.relax4.xz 180 Bytes
      - KPOINTS.relax5.xz 180 Bytes
      - KPOINTS.relax6.xz 180 Bytes
      - KPOINTS.static.xz 180 Bytes
      - LOCK 92.0 kB
      - LOCK.3.2.14+2D_KPPRA 92.0 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.1 kB
        
        DOSCAR.xz 149.4 kB
        
        EIGENVAL.xz 2.5 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 740 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 1.2 MB
        
        OUTCAR.xz 74.0 MB
        
        PCDAT.xz 4.0 kB
        
        POSCAR.xz 944 Bytes
        
        PROCAR.xz 103.2 kB
        
        REPORT.xz 196.8 kB
        
        XDATCAR.xz 9.2 MB
        
        vasp.out.xz 1.2 MB
        
        vaspout.h5.xz 79.7 MB
        
        vasprun.xml.xz 30.1 MB
      - OSZICAR.bands.xz 396 Bytes
      - OSZICAR.relax1.xz 1.0 kB
      - OSZICAR.relax2.xz 1.0 kB
      - OSZICAR.relax3.xz 1.0 kB
      - OSZICAR.relax4.xz 1.0 kB
      - OSZICAR.relax5.xz 1.0 kB
      - OSZICAR.relax6.xz 1.0 kB
      - OSZICAR.static.xz 832 Bytes
      - OUTCAR.bands.xz 76.5 kB
      - OUTCAR.relax1.xz 24.9 kB
      - OUTCAR.relax2.xz 25.3 kB
      - OUTCAR.relax3.xz 25.2 kB
      - OUTCAR.relax4.xz 25.0 kB
      - OUTCAR.relax5.xz 25.0 kB
      - OUTCAR.relax6.xz 24.9 kB
      - OUTCAR.static.xz 24.3 kB
      - PCDAT.bands.xz 180 Bytes
      - PCDAT.relax1.xz 180 Bytes
      - PCDAT.relax2.xz 180 Bytes
      - PCDAT.relax3.xz 180 Bytes
      - PCDAT.relax4.xz 180 Bytes
      - PCDAT.relax5.xz 180 Bytes
      - PCDAT.relax6.xz 180 Bytes
      - PCDAT.static.xz 180 Bytes
      - POSCAR.bands.xz 780 Bytes
      - POSCAR.orig.xz 740 Bytes
      - POSCAR.relax1.xz 792 Bytes
      - POSCAR.relax2.xz 792 Bytes
      - POSCAR.relax3.xz 792 Bytes
      - POSCAR.relax4.xz 800 Bytes
      - POSCAR.relax5.xz 796 Bytes
      - POSCAR.relax6.xz 792 Bytes
      - POSCAR.static.xz 748 Bytes
      - PROCAR.bands.xz 2.4 MB
      - PROCAR.relax1.xz 88.8 kB
      - PROCAR.relax2.xz 88.5 kB
      - PROCAR.relax3.xz 88.7 kB
      - PROCAR.relax4.xz 88.3 kB
      - PROCAR.relax5.xz 88.6 kB
      - PROCAR.relax6.xz 88.4 kB
      - PROCAR.static.xz 388.4 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 492 Bytes
      - XDATCAR.relax1.xz 828 Bytes
      - XDATCAR.relax2.xz 844 Bytes
      - XDATCAR.relax3.xz 832 Bytes
      - XDATCAR.relax4.xz 824 Bytes
      - XDATCAR.relax5.xz 832 Bytes
      - XDATCAR.relax6.xz 836 Bytes
      - XDATCAR.static.xz 492 Bytes
      - aflow.agroup.out.xz 2.0 kB
      - aflow.end.out 222 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 968 Bytes
      - aflow.in 25.1 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 1.2 kB
      - aflow.pgroupk_Patterson.out.xz 1.1 kB
      - aflow.pgroupk_xtal.out.xz 1.1 kB
      - aflow.pseudopotential_auid.out.xz 192 Bytes
      - aflow.qmvasp.out.xz 5.2 kB
      - vasp.out.bands.xz 1.2 kB
      - vasp.out.relax1.xz 1.9 kB
      - vasp.out.relax2.xz 1.9 kB
      - vasp.out.relax3.xz 1.9 kB
      - vasp.out.relax4.xz 1.9 kB
      - vasp.out.relax5.xz 1.9 kB
      - vasp.out.relax6.xz 1.9 kB
      - vasp.out.static.xz 1.6 kB
      - vasprun.xml.bands.xz 3.2 MB
      - vasprun.xml.relax1.xz 109.4 kB
      - vasprun.xml.relax2.xz 109.4 kB
      - vasprun.xml.relax3.xz 109.5 kB
      - vasprun.xml.relax4.xz 109.1 kB
      - vasprun.xml.relax5.xz 109.2 kB
      - vasprun.xml.relax6.xz 109.3 kB
      - vasprun.xml.static.xz 555.4 kB
  - 001_facet_O3Sb1Tl1_ICSD_77329_PBE_relax_ions_cell_shape_Tl_term
    - passivation_H2O_full
      - AECCAR0.bands.xz 29.0 MB
      - AECCAR0.static.xz 29.0 MB
      - AECCAR1.bands.xz 25.5 MB
      - AECCAR1.static.xz 25.5 MB
      - AECCAR2.bands.xz 24.1 MB
      - AECCAR2.static.xz 23.8 MB
      - CHG.static.xz 10.4 MB
      - CHGCAR.static.xz 23.1 MB
      - CONTCAR.bands.xz 804 Bytes
      - CONTCAR.relax1.xz 816 Bytes
      - CONTCAR.relax2.xz 824 Bytes
      - CONTCAR.relax3.xz 816 Bytes
      - CONTCAR.relax4.xz 812 Bytes
      - CONTCAR.relax5.xz 816 Bytes
      - CONTCAR.relax6.xz 816 Bytes
      - CONTCAR.static.xz 804 Bytes
      - DOSCAR.bands.xz 9.8 kB
      - DOSCAR.relax1.xz 14.7 kB
      - DOSCAR.relax2.xz 14.3 kB
      - DOSCAR.relax3.xz 11.8 kB
      - DOSCAR.relax4.xz 11.5 kB
      - DOSCAR.relax5.xz 11.9 kB
      - DOSCAR.relax6.xz 11.6 kB
      - DOSCAR.static.xz 58.3 kB
      - EIGENVAL.bands.xz 86.8 kB
      - EIGENVAL.relax1.xz 4.3 kB
      - EIGENVAL.relax2.xz 4.0 kB
      - EIGENVAL.relax3.xz 3.4 kB
      - EIGENVAL.relax4.xz 3.4 kB
      - EIGENVAL.relax5.xz 3.4 kB
      - EIGENVAL.relax6.xz 3.4 kB
      - EIGENVAL.static.xz 11.9 kB
      - IBZKPT.relax1.xz 156 Bytes
      - IBZKPT.relax2.xz 156 Bytes
      - IBZKPT.relax3.xz 160 Bytes
      - IBZKPT.relax4.xz 160 Bytes
      - IBZKPT.relax5.xz 156 Bytes
      - IBZKPT.relax6.xz 164 Bytes
      - IBZKPT.static.xz 492 Bytes
      - INCAR.bands.xz 1.8 kB
      - INCAR.orig.xz 208 Bytes
      - INCAR.relax1.xz 1.2 kB
      - INCAR.relax2.xz 1.2 kB
      - INCAR.relax3.xz 1.2 kB
      - INCAR.relax4.xz 1.2 kB
      - INCAR.relax5.xz 1.2 kB
      - INCAR.relax6.xz 1.2 kB
      - INCAR.static.xz 1.7 kB
      - KPOINTS.bands.xz 232 Bytes
      - KPOINTS.relax1.xz 180 Bytes
      - KPOINTS.relax2.xz 180 Bytes
      - KPOINTS.relax3.xz 180 Bytes
      - KPOINTS.relax4.xz 180 Bytes
      - KPOINTS.relax5.xz 180 Bytes
      - KPOINTS.relax6.xz 180 Bytes
      - KPOINTS.static.xz 180 Bytes
      - LOCK 91.1 kB
      - LOCK.3.2.14+2D_KPPRA 91.1 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.2 kB
        
        DOSCAR.xz 154.3 kB
        
        EIGENVAL.xz 1.6 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 764 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 966.0 kB
        
        OUTCAR.xz 64.1 MB
        
        PCDAT.xz 4.1 kB
        
        POSCAR.xz 936 Bytes
        
        PROCAR.xz 49.9 kB
        
        REPORT.xz 195.6 kB
        
        XDATCAR.xz 9.0 MB
        
        vasp.out.xz 977.0 kB
        
        vaspout.h5.xz 63.9 MB
        
        vasprun.xml.xz 29.3 MB
      - OSZICAR.bands.xz 356 Bytes
      - OSZICAR.relax1.xz 13.7 kB
      - OSZICAR.relax2.xz 9.5 kB
      - OSZICAR.relax3.xz 10.3 kB
      - OSZICAR.relax4.xz 10.1 kB
      - OSZICAR.relax5.xz 7.3 kB
      - OSZICAR.relax6.xz 3.4 kB
      - OSZICAR.static.xz 728 Bytes
      - OUTCAR.bands.xz 62.1 kB
      - OUTCAR.relax1.xz 291.4 kB
      - OUTCAR.relax2.xz 238.2 kB
      - OUTCAR.relax3.xz 225.1 kB
      - OUTCAR.relax4.xz 222.7 kB
      - OUTCAR.relax5.xz 187.3 kB
      - OUTCAR.relax6.xz 100.0 kB
      - OUTCAR.static.xz 23.2 kB
      - PCDAT.bands.xz 184 Bytes
      - PCDAT.relax1.xz 180 Bytes
      - PCDAT.relax2.xz 184 Bytes
      - PCDAT.relax3.xz 180 Bytes
      - PCDAT.relax4.xz 184 Bytes
      - PCDAT.relax5.xz 184 Bytes
      - PCDAT.relax6.xz 184 Bytes
      - PCDAT.static.xz 184 Bytes
      - POSCAR.bands.xz 804 Bytes
      - POSCAR.orig.xz 460 Bytes
      - POSCAR.relax1.xz 556 Bytes
      - POSCAR.relax2.xz 816 Bytes
      - POSCAR.relax3.xz 824 Bytes
      - POSCAR.relax4.xz 816 Bytes
      - POSCAR.relax5.xz 812 Bytes
      - POSCAR.relax6.xz 816 Bytes
      - POSCAR.static.xz 776 Bytes
      - PROCAR.bands.xz 1.2 MB
      - PROCAR.relax1.xz 50.5 kB
      - PROCAR.relax2.xz 51.2 kB
      - PROCAR.relax3.xz 45.9 kB
      - PROCAR.relax4.xz 46.3 kB
      - PROCAR.relax5.xz 46.2 kB
      - PROCAR.relax6.xz 46.0 kB
      - PROCAR.static.xz 200.1 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 520 Bytes
      - XDATCAR.relax1.xz 10.6 kB
      - XDATCAR.relax2.xz 10.9 kB
      - XDATCAR.relax3.xz 11.2 kB
      - XDATCAR.relax4.xz 10.9 kB
      - XDATCAR.relax5.xz 10.7 kB
      - XDATCAR.relax6.xz 5.9 kB
      - XDATCAR.static.xz 520 Bytes
      - aflow.agroup.out.xz 1.9 kB
      - aflow.end.out 216 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 744 Bytes
      - aflow.in 36.6 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 1.2 kB
      - aflow.pgroupk_Patterson.out.xz 1.1 kB
      - aflow.pgroupk_xtal.out.xz 1.1 kB
      - aflow.pseudopotential_auid.out.xz 192 Bytes
      - aflow.qmvasp.out.xz 6.5 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 16.0 kB
      - vasp.out.relax2.xz 11.7 kB
      - vasp.out.relax3.xz 12.4 kB
      - vasp.out.relax4.xz 12.3 kB
      - vasp.out.relax5.xz 9.5 kB
      - vasp.out.relax6.xz 5.0 kB
      - vasp.out.static.xz 1.4 kB
      - vasprun.xml.bands.xz 1.4 MB
      - vasprun.xml.relax1.xz 99.9 kB
      - vasprun.xml.relax2.xz 96.4 kB
      - vasprun.xml.relax3.xz 92.9 kB
      - vasprun.xml.relax4.xz 92.2 kB
      - vasprun.xml.relax5.xz 89.0 kB
      - vasprun.xml.relax6.xz 72.7 kB
      - vasprun.xml.static.xz 253.0 kB
  - 001_facet_O3Si1Zn1_ICSD_167186_PBE_U_ICSD_relax_ions_cell_shape_Zn_term
    - passivation_H2O_full
      - AECCAR0.bands.xz 14.0 MB
      - AECCAR0.static.xz 14.0 MB
      - AECCAR1.bands.xz 13.2 MB
      - AECCAR1.static.xz 13.2 MB
      - AECCAR2.bands.xz 9.2 MB
      - AECCAR2.static.xz 9.2 MB
      - CHG.static.xz 5.0 MB
      - CHGCAR.static.xz 11.7 MB
      - CONTCAR.bands.xz 760 Bytes
      - CONTCAR.relax1.xz 784 Bytes
      - CONTCAR.relax2.xz 780 Bytes
      - CONTCAR.relax3.xz 776 Bytes
      - CONTCAR.relax4.xz 776 Bytes
      - CONTCAR.relax5.xz 776 Bytes
      - CONTCAR.relax6.xz 776 Bytes
      - CONTCAR.static.xz 760 Bytes
      - DOSCAR.bands.xz 10.0 kB
      - DOSCAR.relax1.xz 13.8 kB
      - DOSCAR.relax2.xz 13.7 kB
      - DOSCAR.relax3.xz 11.1 kB
      - DOSCAR.relax4.xz 11.1 kB
      - DOSCAR.relax5.xz 11.1 kB
      - DOSCAR.relax6.xz 11.2 kB
      - DOSCAR.static.xz 83.1 kB
      - EIGENVAL.bands.xz 92.5 kB
      - EIGENVAL.relax1.xz 4.2 kB
      - EIGENVAL.relax2.xz 4.0 kB
      - EIGENVAL.relax3.xz 3.7 kB
      - EIGENVAL.relax4.xz 3.6 kB
      - EIGENVAL.relax5.xz 3.5 kB
      - EIGENVAL.relax6.xz 3.6 kB
      - EIGENVAL.static.xz 11.2 kB
      - IBZKPT.relax1.xz 156 Bytes
      - IBZKPT.relax2.xz 156 Bytes
      - IBZKPT.relax3.xz 160 Bytes
      - IBZKPT.relax4.xz 156 Bytes
      - IBZKPT.relax5.xz 156 Bytes
      - IBZKPT.relax6.xz 160 Bytes
      - IBZKPT.static.xz 492 Bytes
      - INCAR.bands.xz 1.9 kB
      - INCAR.orig.xz 208 Bytes
      - INCAR.relax1.xz 1.2 kB
      - INCAR.relax2.xz 1.2 kB
      - INCAR.relax3.xz 1.2 kB
      - INCAR.relax4.xz 1.2 kB
      - INCAR.relax5.xz 1.2 kB
      - INCAR.relax6.xz 1.2 kB
      - INCAR.static.xz 1.7 kB
      - KPOINTS.bands.xz 232 Bytes
      - KPOINTS.relax1.xz 180 Bytes
      - KPOINTS.relax2.xz 180 Bytes
      - KPOINTS.relax3.xz 180 Bytes
      - KPOINTS.relax4.xz 180 Bytes
      - KPOINTS.relax5.xz 180 Bytes
      - KPOINTS.relax6.xz 180 Bytes
      - KPOINTS.static.xz 180 Bytes
      - LOCK 90.5 kB
      - LOCK.3.2.14+2D_KPPRA 90.5 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.1 kB
        
        DOSCAR.xz 134.1 kB
        
        EIGENVAL.xz 1.6 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 772 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 995.2 kB
        
        OUTCAR.xz 64.6 MB
        
        PCDAT.xz 3.8 kB
        
        POSCAR.xz 952 Bytes
        
        PROCAR.xz 55.4 kB
        
        REPORT.xz 200.3 kB
        
        XDATCAR.xz 9.2 MB
        
        vasp.out.xz 1.0 MB
        
        vaspout.h5.xz 63.7 MB
        
        vasprun.xml.xz 29.6 MB
      - OSZICAR.bands.xz 360 Bytes
      - OSZICAR.relax1.xz 11.4 kB
      - OSZICAR.relax2.xz 2.9 kB
      - OSZICAR.relax3.xz 840 Bytes
      - OSZICAR.relax4.xz 828 Bytes
      - OSZICAR.relax5.xz 848 Bytes
      - OSZICAR.relax6.xz 824 Bytes
      - OSZICAR.static.xz 736 Bytes
      - OUTCAR.bands.xz 68.4 kB
      - OUTCAR.relax1.xz 284.7 kB
      - OUTCAR.relax2.xz 95.6 kB
      - OUTCAR.relax3.xz 22.7 kB
      - OUTCAR.relax4.xz 22.3 kB
      - OUTCAR.relax5.xz 22.5 kB
      - OUTCAR.relax6.xz 22.1 kB
      - OUTCAR.static.xz 22.0 kB
      - PCDAT.bands.xz 184 Bytes
      - PCDAT.relax1.xz 180 Bytes
      - PCDAT.relax2.xz 184 Bytes
      - PCDAT.relax3.xz 180 Bytes
      - PCDAT.relax4.xz 184 Bytes
      - PCDAT.relax5.xz 180 Bytes
      - PCDAT.relax6.xz 184 Bytes
      - PCDAT.static.xz 184 Bytes
      - POSCAR.bands.xz 760 Bytes
      - POSCAR.orig.xz 472 Bytes
      - POSCAR.relax1.xz 564 Bytes
      - POSCAR.relax2.xz 784 Bytes
      - POSCAR.relax3.xz 780 Bytes
      - POSCAR.relax4.xz 776 Bytes
      - POSCAR.relax5.xz 776 Bytes
      - POSCAR.relax6.xz 776 Bytes
      - POSCAR.static.xz 740 Bytes
      - PROCAR.bands.xz 1.1 MB
      - PROCAR.relax1.xz 48.1 kB
      - PROCAR.relax2.xz 48.5 kB
      - PROCAR.relax3.xz 45.8 kB
      - PROCAR.relax4.xz 45.7 kB
      - PROCAR.relax5.xz 45.6 kB
      - PROCAR.relax6.xz 45.5 kB
      - PROCAR.static.xz 190.0 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 468 Bytes
      - XDATCAR.relax1.xz 11.0 kB
      - XDATCAR.relax2.xz 4.5 kB
      - XDATCAR.relax3.xz 796 Bytes
      - XDATCAR.relax4.xz 788 Bytes
      - XDATCAR.relax5.xz 788 Bytes
      - XDATCAR.relax6.xz 788 Bytes
      - XDATCAR.static.xz 468 Bytes
      - aflow.agroup.out.xz 1.8 kB
      - aflow.end.out 215 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 748 Bytes
      - aflow.in 36.6 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 1.2 kB
      - aflow.pgroupk_Patterson.out.xz 1.1 kB
      - aflow.pgroupk_xtal.out.xz 1.1 kB
      - aflow.pseudopotential_auid.out.xz 192 Bytes
      - aflow.qmvasp.out.xz 5.3 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 13.9 kB
      - vasp.out.relax2.xz 4.4 kB
      - vasp.out.relax3.xz 1.7 kB
      - vasp.out.relax4.xz 1.7 kB
      - vasp.out.relax5.xz 1.7 kB
      - vasp.out.relax6.xz 1.7 kB
      - vasp.out.static.xz 1.4 kB
      - vasprun.xml.bands.xz 1.3 MB
      - vasprun.xml.relax1.xz 93.2 kB
      - vasprun.xml.relax2.xz 68.7 kB
      - vasprun.xml.relax3.xz 56.2 kB
      - vasprun.xml.relax4.xz 56.3 kB
      - vasprun.xml.relax5.xz 56.0 kB
      - vasprun.xml.relax6.xz 56.3 kB
      - vasprun.xml.static.xz 257.4 kB