Preview

Data_non_vdW_2D_H2O_passivation_RODARE.zip

The previewer is not showing all the files

Data_non_vdW_2D_H2O_passivation_RODARE
- binaries
  - 001_facet_Al2S3_ICSD_609250_PBE_relax_ions_cell_shape
    - passivation_H2O_full
      - AECCAR0.bands.xz 24.9 MB
      - AECCAR0.static.xz 24.9 MB
      - AECCAR1.bands.xz 20.7 MB
      - AECCAR1.static.xz 20.7 MB
      - AECCAR2.bands.xz 16.7 MB
      - AECCAR2.static.xz 16.7 MB
      - CHG.static.xz 8.5 MB
      - CHGCAR.static.xz 19.2 MB
      - CONTCAR.bands.xz 788 Bytes
      - CONTCAR.relax1.xz 800 Bytes
      - CONTCAR.relax2.xz 788 Bytes
      - CONTCAR.relax3.xz 796 Bytes
      - CONTCAR.relax4.xz 796 Bytes
      - CONTCAR.relax5.xz 800 Bytes
      - CONTCAR.relax6.xz 804 Bytes
      - CONTCAR.static.xz 788 Bytes
      - DOSCAR.bands.xz 8.8 kB
      - DOSCAR.relax1.xz 13.2 kB
      - DOSCAR.relax2.xz 12.1 kB
      - DOSCAR.relax3.xz 10.1 kB
      - DOSCAR.relax4.xz 10.0 kB
      - DOSCAR.relax5.xz 10.1 kB
      - DOSCAR.relax6.xz 10.0 kB
      - DOSCAR.static.xz 55.7 kB
      - EIGENVAL.bands.xz 86.0 kB
      - EIGENVAL.relax1.xz 4.2 kB
      - EIGENVAL.relax2.xz 4.0 kB
      - EIGENVAL.relax3.xz 3.3 kB
      - EIGENVAL.relax4.xz 3.3 kB
      - EIGENVAL.relax5.xz 3.3 kB
      - EIGENVAL.relax6.xz 3.5 kB
      - EIGENVAL.static.xz 12.5 kB
      - IBZKPT.relax1.xz 156 Bytes
      - IBZKPT.relax2.xz 156 Bytes
      - IBZKPT.relax3.xz 156 Bytes
      - IBZKPT.relax4.xz 156 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 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 89.7 kB
      - LOCK.3.2.14+2D_KPPRA 89.7 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.1 kB
        
        DOSCAR.xz 150.9 kB
        
        EIGENVAL.xz 1.4 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 760 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 964.4 kB
        
        OUTCAR.xz 63.0 MB
        
        PCDAT.xz 4.1 kB
        
        POSCAR.xz 924 Bytes
        
        PROCAR.xz 41.5 kB
        
        REPORT.xz 198.1 kB
        
        WAVECAR.xz 32 Bytes
        
        XDATCAR.xz 9.0 MB
        
        vasp.out.xz 975.5 kB
        
        vasprun.xml.xz 29.2 MB
      - OSZICAR.bands.xz 360 Bytes
      - OSZICAR.relax1.xz 15.7 kB
      - OSZICAR.relax2.xz 7.4 kB
      - OSZICAR.relax3.xz 880 Bytes
      - OSZICAR.relax4.xz 868 Bytes
      - OSZICAR.relax5.xz 876 Bytes
      - OSZICAR.relax6.xz 876 Bytes
      - OSZICAR.static.xz 736 Bytes
      - OUTCAR.bands.xz 64.6 kB
      - OUTCAR.relax1.xz 323.0 kB
      - OUTCAR.relax2.xz 194.2 kB
      - OUTCAR.relax3.xz 22.6 kB
      - OUTCAR.relax4.xz 22.3 kB
      - OUTCAR.relax5.xz 22.4 kB
      - OUTCAR.relax6.xz 22.3 kB
      - OUTCAR.static.xz 22.2 kB
      - PCDAT.bands.xz 184 Bytes
      - PCDAT.relax1.xz 184 Bytes
      - PCDAT.relax2.xz 184 Bytes
      - PCDAT.relax3.xz 184 Bytes
      - PCDAT.relax4.xz 184 Bytes
      - PCDAT.relax5.xz 184 Bytes
      - PCDAT.relax6.xz 184 Bytes
      - PCDAT.static.xz 184 Bytes
      - POSCAR.bands.xz 788 Bytes
      - POSCAR.orig.xz 472 Bytes
      - POSCAR.relax1.xz 560 Bytes
      - POSCAR.relax2.xz 800 Bytes
      - POSCAR.relax3.xz 788 Bytes
      - POSCAR.relax4.xz 796 Bytes
      - POSCAR.relax5.xz 796 Bytes
      - POSCAR.relax6.xz 800 Bytes
      - POSCAR.static.xz 756 Bytes
      - PROCAR.bands.xz 1.0 MB
      - PROCAR.relax1.xz 41.9 kB
      - PROCAR.relax2.xz 42.8 kB
      - PROCAR.relax3.xz 38.6 kB
      - PROCAR.relax4.xz 38.5 kB
      - PROCAR.relax5.xz 38.5 kB
      - PROCAR.relax6.xz 38.5 kB
      - PROCAR.static.xz 169.1 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 488 Bytes
      - XDATCAR.relax1.xz 10.5 kB
      - XDATCAR.relax2.xz 8.6 kB
      - XDATCAR.relax3.xz 844 Bytes
      - XDATCAR.relax4.xz 836 Bytes
      - XDATCAR.relax5.xz 852 Bytes
      - XDATCAR.relax6.xz 832 Bytes
      - XDATCAR.static.xz 488 Bytes
      - aflow.agroup.out.xz 1.9 kB
      - aflow.end.out 212 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 736 Bytes
      - aflow.in 36.6 kB
      - aflow.pgroup.out.xz 1.6 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 5.5 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 18.1 kB
      - vasp.out.relax2.xz 9.6 kB
      - vasp.out.relax3.xz 1.8 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 94.1 kB
      - vasprun.xml.relax2.xz 81.1 kB
      - vasprun.xml.relax3.xz 50.5 kB
      - vasprun.xml.relax4.xz 50.4 kB
      - vasprun.xml.relax5.xz 50.5 kB
      - vasprun.xml.relax6.xz 50.6 kB
      - vasprun.xml.static.xz 224.6 kB
  - 001_facet_Cr2O3_ICSD_167268_PBE_U_ICSD_relax_ions_cell_shape_water_solvation
    - AECCAR0.bands.xz 13.8 MB
    - AECCAR0.static.xz 13.8 MB
    - AECCAR1.bands.xz 13.3 MB
    - AECCAR1.static.xz 13.3 MB
    - AECCAR2.bands.xz 9.9 MB
    - AECCAR2.static.xz 9.9 MB
    - BANDS_DOS
      - CHG.static.xz 9.3 MB
      - CHGCAR.static.xz 23.5 MB
      - CONTCAR.bands.xz 412 Bytes
      - CONTCAR.static.xz 412 Bytes
      - DOSCAR.bands.xz 6.9 kB
      - DOSCAR.static.xz 55.2 kB
      - EIGENVAL.bands.xz 65.8 kB
      - EIGENVAL.static.xz 16.5 kB
      - IBZKPT.static.xz 624 Bytes
      - INCAR.bands.xz 1.8 kB
      - INCAR.orig.xz 196 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 372 Bytes
      - OSZICAR.static.xz 892 Bytes
      - OUTCAR.bands.xz 51.6 kB
      - OUTCAR.static.xz 27.2 kB
      - PCDAT.bands.xz 172 Bytes
      - PCDAT.static.xz 172 Bytes
      - POSCAR.bands.xz 412 Bytes
      - POSCAR.orig.xz 384 Bytes
      - POSCAR.static.xz 472 Bytes
      - PROCAR.bands.xz 550.8 kB
      - PROCAR.static.xz 168.5 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 268 Bytes
      - XDATCAR.static.xz 268 Bytes
      - aflow.agroup.out.xz 1.6 kB
      - aflow.end.out 213 Bytes
      - aflow.fgroup.out.xz 1.3 kB
      - aflow.iatoms.out.xz 556 Bytes
      - aflow.in 22.3 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 140 Bytes
      - aflow.qmvasp.out.xz 960 Bytes
      - vasp.out.bands.xz 4.4 kB
      - vasp.out.static.xz 12.9 kB
      - vasprun.xml.bands.xz 515.5 kB
      - vasprun.xml.static.xz 210.9 kB
    - CHG.static.xz 9.6 MB
    - CHGCAR.static.xz 23.7 MB
    - CONTCAR.bands.xz 412 Bytes
    - CONTCAR.relax1.xz 412 Bytes
    - CONTCAR.relax2.xz 416 Bytes
    - CONTCAR.static.xz 412 Bytes
    - DOSCAR.bands.xz 6.9 kB
    - DOSCAR.relax1.xz 8.2 kB
    - DOSCAR.relax2.xz 8.2 kB
    - DOSCAR.static.xz 54.8 kB
    - EIGENVAL.bands.xz 66.1 kB
    - EIGENVAL.relax1.xz 5.1 kB
    - EIGENVAL.relax2.xz 5.2 kB
    - EIGENVAL.static.xz 18.0 kB
    - IBZKPT.relax1.xz 176 Bytes
    - IBZKPT.relax2.xz 176 Bytes
    - IBZKPT.static.xz 1.2 kB
    - INCAR.bands.xz 1.8 kB
    - INCAR.orig.xz 196 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 67.1 kB
    - LOCK.4.0.5-61708c8 67.1 kB
    - OSZICAR.bands.xz 372 Bytes
    - OSZICAR.relax1.xz 3.5 kB
    - OSZICAR.relax2.xz 1.3 kB
    - OSZICAR.static.xz 884 Bytes
    - OUTCAR.bands.xz 51.7 kB
    - OUTCAR.relax1.xz 68.2 kB
    - OUTCAR.relax2.xz 27.5 kB
    - OUTCAR.static.xz 27.4 kB
    - PCDAT.bands.xz 172 Bytes
    - PCDAT.relax1.xz 172 Bytes
    - PCDAT.relax2.xz 172 Bytes
    - PCDAT.static.xz 172 Bytes
    - POSCAR.bands.xz 412 Bytes
    - POSCAR.orig.xz 432 Bytes
    - POSCAR.relax1.xz 468 Bytes
    - POSCAR.relax2.xz 412 Bytes
    - POSCAR.static.xz 436 Bytes
    - PROCAR.relax1.xz 50.7 kB
    - PROCAR.relax2.xz 51.4 kB
    - PROCAR.static.xz 165.7 kB
    - REPORT.xz 32 Bytes
    - XDATCAR.bands.xz 268 Bytes
    - XDATCAR.relax1.xz 812 Bytes
    - XDATCAR.relax2.xz 396 Bytes
    - XDATCAR.static.xz 268 Bytes
    - aflow.agroup.out.xz 1.4 kB
    - aflow.end.out 212 Bytes
    - aflow.fgroup.out.xz 1.3 kB
    - aflow.iatoms.out.xz 556 Bytes
    - aflow.in 22.5 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 140 Bytes
    - aflow.qmvasp.out.xz 1.3 kB
    - passivation_H2O_full_water_solvation
      - AECCAR0.bands.xz 15.0 MB
      - AECCAR0.static.xz 15.0 MB
      - AECCAR1.bands.xz 12.7 MB
      - AECCAR1.static.xz 12.7 MB
      - AECCAR2.bands.xz 9.8 MB
      - AECCAR2.static.xz 9.8 MB
      - CHG.static.xz 11.1 MB
      - CHGCAR.static.xz 23.5 MB
      - CONTCAR.bands.xz 796 Bytes
      - CONTCAR.relax1.xz 812 Bytes
      - CONTCAR.relax2.xz 808 Bytes
      - CONTCAR.static.xz 796 Bytes
      - DOSCAR.bands.xz 15.6 kB
      - DOSCAR.relax1.xz 17.2 kB
      - DOSCAR.relax2.xz 16.9 kB
      - DOSCAR.static.xz 145.2 kB
      - EIGENVAL.bands.xz 120.3 kB
      - EIGENVAL.relax1.xz 4.4 kB
      - EIGENVAL.relax2.xz 4.8 kB
      - EIGENVAL.static.xz 14.3 kB
      - IBZKPT.relax1.xz 148 Bytes
      - IBZKPT.relax2.xz 148 Bytes
      - IBZKPT.static.xz 472 Bytes
      - 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 168 Bytes
      - LOCK 64.7 kB
      - LOCK.4.0.5-61708c8 64.7 kB
      - OSZICAR.bands.xz 368 Bytes
      - OSZICAR.relax1.xz 9.0 kB
      - OSZICAR.relax2.xz 1.8 kB
      - OSZICAR.static.xz 820 Bytes
      - OUTCAR.bands.xz 68.5 kB
      - OUTCAR.relax1.xz 237.2 kB
      - OUTCAR.relax2.xz 52.7 kB
      - OUTCAR.static.xz 25.0 kB
      - PCDAT.bands.xz 172 Bytes
      - PCDAT.relax1.xz 172 Bytes
      - PCDAT.relax2.xz 172 Bytes
      - PCDAT.static.xz 172 Bytes
      - POSCAR.bands.xz 796 Bytes
      - POSCAR.orig.xz 748 Bytes
      - POSCAR.relax1.xz 784 Bytes
      - POSCAR.relax2.xz 812 Bytes
      - POSCAR.static.xz 752 Bytes
      - PROCAR.bands.xz 2.6 MB
      - PROCAR.relax1.xz 122.3 kB
      - PROCAR.relax2.xz 122.6 kB
      - PROCAR.static.xz 440.3 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 500 Bytes
      - XDATCAR.relax1.xz 10.0 kB
      - XDATCAR.relax2.xz 2.2 kB
      - XDATCAR.static.xz 500 Bytes
      - aflow.agroup.out.xz 1.1 kB
      - aflow.end.out 213 Bytes
      - aflow.fgroup.out.xz 1.0 kB
      - aflow.iatoms.out.xz 952 Bytes
      - aflow.in 26.3 kB
      - aflow.pgroup.out.xz 1.5 kB
      - aflow.pgroup_xtal.out.xz 868 Bytes
      - aflow.pgroupk_Patterson.out.xz 792 Bytes
      - aflow.pgroupk_xtal.out.xz 796 Bytes
      - aflow.pseudopotential_auid.out.xz 164 Bytes
      - aflow.qmvasp.out.xz 2.9 kB
      - vasp.out.bands.xz 4.6 kB
      - vasp.out.relax1.xz 393.8 kB
      - vasp.out.relax2.xz 31.2 kB
      - vasp.out.static.xz 13.2 kB
      - vasprun.xml.bands.xz 2.7 MB
      - vasprun.xml.relax1.xz 157.3 kB
      - vasprun.xml.relax2.xz 128.9 kB
      - vasprun.xml.static.xz 485.9 kB
    - vasp.out.bands.xz 4.6 kB
    - vasp.out.relax1.xz 117.2 kB
    - vasp.out.relax2.xz 18.9 kB
    - vasp.out.static.xz 13.0 kB
    - vasprun.xml.bands.xz 515.8 kB
    - vasprun.xml.relax1.xz 60.7 kB
    - vasprun.xml.relax2.xz 57.9 kB
    - vasprun.xml.static.xz 203.7 kB
  - 001_facet_Ga2O3_ICSD_166199_PBE_U_ICSD_relax_ions_cell_shape
    - passivation_H2O_full
      - AECCAR0.bands.xz 15.2 MB
      - AECCAR0.static.xz 15.2 MB
      - AECCAR1.bands.xz 12.3 MB
      - AECCAR1.static.xz 12.3 MB
      - AECCAR2.bands.xz 9.5 MB
      - AECCAR2.static.xz 9.5 MB
      - CHG.static.xz 5.5 MB
      - CHGCAR.static.xz 11.6 MB
      - CONTCAR.bands.xz 780 Bytes
      - CONTCAR.relax1.xz 788 Bytes
      - CONTCAR.relax2.xz 800 Bytes
      - CONTCAR.relax3.xz 796 Bytes
      - CONTCAR.relax4.xz 788 Bytes
      - CONTCAR.relax5.xz 804 Bytes
      - CONTCAR.relax6.xz 792 Bytes
      - CONTCAR.static.xz 780 Bytes
      - DOSCAR.bands.xz 10.4 kB
      - DOSCAR.relax1.xz 19.8 kB
      - DOSCAR.relax2.xz 20.6 kB
      - DOSCAR.relax3.xz 11.7 kB
      - DOSCAR.relax4.xz 11.7 kB
      - DOSCAR.relax5.xz 11.6 kB
      - DOSCAR.relax6.xz 11.7 kB
      - DOSCAR.static.xz 79.4 kB
      - EIGENVAL.bands.xz 88.5 kB
      - EIGENVAL.relax1.xz 5.2 kB
      - EIGENVAL.relax2.xz 5.4 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 11.6 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 164 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 1.3 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 89.5 kB
      - LOCK.3.2.14+2D_KPPRA 89.5 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.2 kB
        
        DOSCAR.xz 134.8 kB
        
        EIGENVAL.xz 1.7 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 764 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 1.1 MB
        
        OUTCAR.xz 66.1 MB
        
        PCDAT.xz 2.6 kB
        
        POSCAR.xz 960 Bytes
        
        PROCAR.xz 58.5 kB
        
        REPORT.xz 197.4 kB
        
        WAVECAR.xz 32 Bytes
        
        XDATCAR.xz 9.8 MB
        
        vasp.out.xz 1.1 MB
        
        vasprun.xml.xz 29.5 MB
      - OSZICAR.bands.xz 380 Bytes
      - OSZICAR.relax1.xz 13.1 kB
      - OSZICAR.relax2.xz 3.5 kB
      - OSZICAR.relax3.xz 864 Bytes
      - OSZICAR.relax4.xz 864 Bytes
      - OSZICAR.relax5.xz 852 Bytes
      - OSZICAR.relax6.xz 860 Bytes
      - OSZICAR.static.xz 720 Bytes
      - OUTCAR.bands.xz 66.7 kB
      - OUTCAR.relax1.xz 312.6 kB
      - OUTCAR.relax2.xz 133.8 kB
      - OUTCAR.relax3.xz 22.7 kB
      - OUTCAR.relax4.xz 22.7 kB
      - OUTCAR.relax5.xz 22.8 kB
      - OUTCAR.relax6.xz 22.7 kB
      - OUTCAR.static.xz 22.6 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 460 Bytes
      - POSCAR.relax1.xz 544 Bytes
      - POSCAR.relax2.xz 788 Bytes
      - POSCAR.relax3.xz 800 Bytes
      - POSCAR.relax4.xz 796 Bytes
      - POSCAR.relax5.xz 788 Bytes
      - POSCAR.relax6.xz 804 Bytes
      - POSCAR.static.xz 744 Bytes
      - PROCAR.bands.xz 1.1 MB
      - PROCAR.relax1.xz 63.9 kB
      - PROCAR.relax2.xz 63.1 kB
      - PROCAR.relax3.xz 44.6 kB
      - PROCAR.relax4.xz 44.5 kB
      - PROCAR.relax5.xz 44.6 kB
      - PROCAR.relax6.xz 44.7 kB
      - PROCAR.static.xz 184.9 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 480 Bytes
      - XDATCAR.relax1.xz 10.9 kB
      - XDATCAR.relax2.xz 5.3 kB
      - XDATCAR.relax3.xz 844 Bytes
      - XDATCAR.relax4.xz 856 Bytes
      - XDATCAR.relax5.xz 840 Bytes
      - XDATCAR.relax6.xz 832 Bytes
      - XDATCAR.static.xz 480 Bytes
      - aflow.agroup.out.xz 1.8 kB
      - aflow.end.out 212 Bytes
      - aflow.fgroup.out.xz 1.4 kB
      - aflow.iatoms.out.xz 732 Bytes
      - aflow.in 36.5 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 172 Bytes
      - aflow.qmvasp.out.xz 5.4 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 15.5 kB
      - vasp.out.relax2.xz 5.0 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 123.7 kB
      - vasprun.xml.relax2.xz 100.1 kB
      - vasprun.xml.relax3.xz 56.4 kB
      - vasprun.xml.relax4.xz 56.6 kB
      - vasprun.xml.relax5.xz 56.6 kB
      - vasprun.xml.relax6.xz 56.4 kB
      - vasprun.xml.static.xz 262.5 kB
  - 001_facet_In2O3_ICSD_16086_PBE_U_ICSD_relax_ions_cell_shape
    - passivation_H2O_full
      - AECCAR0.bands.xz 20.8 MB
      - AECCAR0.static.xz 20.8 MB
      - AECCAR1.bands.xz 17.1 MB
      - AECCAR1.static.xz 17.1 MB
      - AECCAR2.bands.xz 13.6 MB
      - AECCAR2.static.xz 13.5 MB
      - CHG.static.xz 6.5 MB
      - CHGCAR.static.xz 15.9 MB
      - CONTCAR.bands.xz 784 Bytes
      - CONTCAR.relax1.xz 784 Bytes
      - CONTCAR.relax2.xz 796 Bytes
      - CONTCAR.relax3.xz 792 Bytes
      - CONTCAR.relax4.xz 792 Bytes
      - CONTCAR.relax5.xz 788 Bytes
      - CONTCAR.relax6.xz 792 Bytes
      - CONTCAR.static.xz 784 Bytes
      - DOSCAR.bands.xz 10.2 kB
      - DOSCAR.relax1.xz 16.8 kB
      - DOSCAR.relax2.xz 20.0 kB
      - DOSCAR.relax3.xz 11.8 kB
      - DOSCAR.relax4.xz 11.8 kB
      - DOSCAR.relax5.xz 11.7 kB
      - DOSCAR.relax6.xz 11.9 kB
      - DOSCAR.static.xz 69.8 kB
      - EIGENVAL.bands.xz 93.8 kB
      - EIGENVAL.relax1.xz 4.5 kB
      - EIGENVAL.relax2.xz 5.1 kB
      - EIGENVAL.relax3.xz 3.3 kB
      - EIGENVAL.relax4.xz 3.4 kB
      - EIGENVAL.relax5.xz 3.4 kB
      - EIGENVAL.relax6.xz 3.4 kB
      - EIGENVAL.static.xz 11.0 kB
      - IBZKPT.relax1.xz 156 Bytes
      - IBZKPT.relax2.xz 160 Bytes
      - IBZKPT.relax3.xz 160 Bytes
      - IBZKPT.relax4.xz 160 Bytes
      - IBZKPT.relax5.xz 160 Bytes
      - IBZKPT.relax6.xz 160 Bytes
      - IBZKPT.static.xz 492 Bytes
      - INCAR.bands.xz 1.9 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 89.5 kB
      - LOCK.3.2.14+2D_KPPRA 89.5 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.1 kB
        
        DOSCAR.xz 151.5 kB
        
        EIGENVAL.xz 1.7 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 768 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 1.0 MB
        
        OUTCAR.xz 65.2 MB
        
        PCDAT.xz 2.8 kB
        
        POSCAR.xz 904 Bytes
        
        PROCAR.xz 54.5 kB
        
        REPORT.xz 197.2 kB
        
        WAVECAR.xz 32 Bytes
        
        XDATCAR.xz 9.8 MB
        
        vasp.out.xz 1.0 MB
        
        vasprun.xml.xz 29.5 MB
      - OSZICAR.bands.xz 380 Bytes
      - OSZICAR.relax1.xz 14.8 kB
      - OSZICAR.relax2.xz 3.3 kB
      - OSZICAR.relax3.xz 912 Bytes
      - OSZICAR.relax4.xz 904 Bytes
      - OSZICAR.relax5.xz 888 Bytes
      - OSZICAR.relax6.xz 908 Bytes
      - OSZICAR.static.xz 740 Bytes
      - OUTCAR.bands.xz 64.5 kB
      - OUTCAR.relax1.xz 329.4 kB
      - OUTCAR.relax2.xz 125.8 kB
      - OUTCAR.relax3.xz 22.8 kB
      - OUTCAR.relax4.xz 22.6 kB
      - OUTCAR.relax5.xz 22.4 kB
      - OUTCAR.relax6.xz 22.6 kB
      - OUTCAR.static.xz 22.0 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 784 Bytes
      - POSCAR.orig.xz 464 Bytes
      - POSCAR.relax1.xz 548 Bytes
      - POSCAR.relax2.xz 784 Bytes
      - POSCAR.relax3.xz 796 Bytes
      - POSCAR.relax4.xz 792 Bytes
      - POSCAR.relax5.xz 792 Bytes
      - POSCAR.relax6.xz 788 Bytes
      - POSCAR.static.xz 744 Bytes
      - PROCAR.bands.xz 1.1 MB
      - PROCAR.relax1.xz 49.6 kB
      - PROCAR.relax2.xz 56.3 kB
      - PROCAR.relax3.xz 43.6 kB
      - PROCAR.relax4.xz 43.9 kB
      - PROCAR.relax5.xz 43.5 kB
      - PROCAR.relax6.xz 43.3 kB
      - PROCAR.static.xz 183.2 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 472 Bytes
      - XDATCAR.relax1.xz 10.6 kB
      - XDATCAR.relax2.xz 4.9 kB
      - XDATCAR.relax3.xz 824 Bytes
      - XDATCAR.relax4.xz 832 Bytes
      - XDATCAR.relax5.xz 816 Bytes
      - XDATCAR.relax6.xz 832 Bytes
      - XDATCAR.static.xz 472 Bytes
      - aflow.agroup.out.xz 1.8 kB
      - aflow.end.out 212 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 736 Bytes
      - aflow.in 36.5 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 176 Bytes
      - aflow.qmvasp.out.xz 5.4 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 17.2 kB
      - vasp.out.relax2.xz 5.0 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 1.4 kB
      - vasprun.xml.bands.xz 1.3 MB
      - vasprun.xml.relax1.xz 100.2 kB
      - vasprun.xml.relax2.xz 91.1 kB
      - vasprun.xml.relax3.xz 55.7 kB
      - vasprun.xml.relax4.xz 55.3 kB
      - vasprun.xml.relax5.xz 55.6 kB
      - vasprun.xml.relax6.xz 55.1 kB
      - vasprun.xml.static.xz 246.3 kB
  - 001_facet_In2S3_ICSD_12148_PBE_U_ICSD_relax_ions_cell_shape
    - passivation_H2O_full
      - AECCAR0.bands.xz 33.1 MB
      - AECCAR0.static.xz 33.1 MB
      - AECCAR1.bands.xz 28.8 MB
      - AECCAR1.static.xz 28.8 MB
      - AECCAR2.bands.xz 22.8 MB
      - AECCAR2.static.xz 22.7 MB
      - CHG.static.xz 12.3 MB
      - CHGCAR.static.xz 26.2 MB
      - CONTCAR.bands.xz 796 Bytes
      - CONTCAR.relax1.xz 796 Bytes
      - CONTCAR.relax2.xz 804 Bytes
      - CONTCAR.relax3.xz 808 Bytes
      - CONTCAR.relax4.xz 816 Bytes
      - CONTCAR.relax5.xz 812 Bytes
      - CONTCAR.relax6.xz 812 Bytes
      - CONTCAR.static.xz 796 Bytes
      - DOSCAR.bands.xz 10.5 kB
      - DOSCAR.relax1.xz 14.4 kB
      - DOSCAR.relax2.xz 14.1 kB
      - DOSCAR.relax3.xz 11.9 kB
      - DOSCAR.relax4.xz 11.9 kB
      - DOSCAR.relax5.xz 11.9 kB
      - DOSCAR.relax6.xz 11.9 kB
      - DOSCAR.static.xz 59.3 kB
      - EIGENVAL.bands.xz 82.6 kB
      - EIGENVAL.relax1.xz 4.0 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 12.1 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 1.3 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 93.7 kB
      - LOCK.3.2.14+2D_KPPRA 93.7 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.2 kB
        
        DOSCAR.xz 181.0 kB
        
        EIGENVAL.xz 1.8 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 772 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 1.0 MB
        
        OUTCAR.xz 63.5 MB
        
        PCDAT.xz 4.1 kB
        
        POSCAR.xz 956 Bytes
        
        PROCAR.xz 47.5 kB
        
        REPORT.xz 196.3 kB
        
        WAVECAR.xz 32 Bytes
        
        XDATCAR.xz 9.0 MB
        
        vasp.out.xz 1.1 MB
        
        vaspout.h5.xz 63.8 MB
        
        vasprun.xml.xz 29.3 MB
      - OSZICAR.bands.xz 384 Bytes
      - OSZICAR.relax1.xz 16.7 kB
      - OSZICAR.relax2.xz 10.1 kB
      - OSZICAR.relax3.xz 8.4 kB
      - OSZICAR.relax4.xz 9.5 kB
      - OSZICAR.relax5.xz 7.1 kB
      - OSZICAR.relax6.xz 6.6 kB
      - OSZICAR.static.xz 752 Bytes
      - OUTCAR.bands.xz 63.3 kB
      - OUTCAR.relax1.xz 323.8 kB
      - OUTCAR.relax2.xz 228.1 kB
      - OUTCAR.relax3.xz 193.9 kB
      - OUTCAR.relax4.xz 210.9 kB
      - OUTCAR.relax5.xz 179.8 kB
      - OUTCAR.relax6.xz 169.5 kB
      - OUTCAR.static.xz 23.3 kB
      - PCDAT.bands.xz 180 Bytes
      - PCDAT.relax1.xz 180 Bytes
      - PCDAT.relax2.xz 184 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 796 Bytes
      - POSCAR.orig.xz 468 Bytes
      - POSCAR.relax1.xz 568 Bytes
      - POSCAR.relax2.xz 796 Bytes
      - POSCAR.relax3.xz 804 Bytes
      - POSCAR.relax4.xz 808 Bytes
      - POSCAR.relax5.xz 816 Bytes
      - POSCAR.relax6.xz 812 Bytes
      - POSCAR.static.xz 768 Bytes
      - PROCAR.bands.xz 1.2 MB
      - PROCAR.relax1.xz 44.8 kB
      - PROCAR.relax2.xz 46.8 kB
      - PROCAR.relax3.xz 45.6 kB
      - PROCAR.relax4.xz 45.8 kB
      - PROCAR.relax5.xz 45.7 kB
      - PROCAR.relax6.xz 45.8 kB
      - PROCAR.static.xz 201.2 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 516 Bytes
      - XDATCAR.relax1.xz 10.7 kB
      - XDATCAR.relax2.xz 10.0 kB
      - XDATCAR.relax3.xz 10.2 kB
      - XDATCAR.relax4.xz 11.0 kB
      - XDATCAR.relax5.xz 9.9 kB
      - XDATCAR.relax6.xz 9.3 kB
      - XDATCAR.static.xz 516 Bytes
      - aflow.agroup.out.xz 1.9 kB
      - aflow.end.out 212 Bytes
      - aflow.error.csloshing.xz 33.4 kB
      - aflow.error.out.xz 280 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 748 Bytes
      - aflow.in 36.7 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 6.4 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 19.0 kB
      - vasp.out.relax2.xz 12.3 kB
      - vasp.out.relax3.xz 10.4 kB
      - vasp.out.relax4.xz 11.8 kB
      - vasp.out.relax5.xz 9.1 kB
      - vasp.out.relax6.xz 8.7 kB
      - vasp.out.static.xz 1.4 kB
      - vasprun.xml.bands.xz 1.4 MB
      - vasprun.xml.relax1.xz 100.5 kB
      - vasprun.xml.relax2.xz 94.0 kB
      - vasprun.xml.relax3.xz 89.9 kB
      - vasprun.xml.relax4.xz 92.5 kB
      - vasprun.xml.relax5.xz 88.8 kB
      - vasprun.xml.relax6.xz 87.2 kB
      - vasprun.xml.static.xz 255.7 kB
  - 001_facet_O3Rh2_ICSD_181829_PBE_U_ICSD_relax_ions_cell_shape
    - passivation_H2O_full
      - AECCAR0.bands.xz 16.0 MB
      - AECCAR0.static.xz 16.0 MB
      - AECCAR1.bands.xz 13.0 MB
      - AECCAR1.static.xz 13.0 MB
      - AECCAR2.bands.xz 7.8 MB
      - AECCAR2.static.xz 7.8 MB
      - CHG.static.xz 4.4 MB
      - CHGCAR.static.xz 11.6 MB
      - CONTCAR.bands.xz 716 Bytes
      - CONTCAR.relax1.xz 712 Bytes
      - CONTCAR.relax2.xz 720 Bytes
      - CONTCAR.relax3.xz 716 Bytes
      - CONTCAR.relax4.xz 716 Bytes
      - CONTCAR.relax5.xz 712 Bytes
      - CONTCAR.relax6.xz 716 Bytes
      - CONTCAR.static.xz 716 Bytes
      - DOSCAR.bands.xz 7.3 kB
      - DOSCAR.relax1.xz 8.3 kB
      - DOSCAR.relax2.xz 8.4 kB
      - DOSCAR.relax3.xz 8.5 kB
      - DOSCAR.relax4.xz 8.5 kB
      - DOSCAR.relax5.xz 8.3 kB
      - DOSCAR.relax6.xz 8.4 kB
      - DOSCAR.static.xz 71.2 kB
      - EIGENVAL.bands.xz 88.9 kB
      - EIGENVAL.relax1.xz 3.5 kB
      - EIGENVAL.relax2.xz 3.4 kB
      - EIGENVAL.relax3.xz 3.6 kB
      - EIGENVAL.relax4.xz 3.5 kB
      - EIGENVAL.relax5.xz 3.4 kB
      - EIGENVAL.relax6.xz 3.4 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 1.8 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 88.7 kB
      - LOCK.3.2.14+2D_KPPRA 88.7 kB
      - MD_300K_PROB_0.01
        
        CHG.xz 32 Bytes
        
        CHGCAR.xz 32 Bytes
        
        CONTCAR.xz 6.0 kB
        
        DOSCAR.xz 83.6 kB
        
        EIGENVAL.xz 1.8 kB
        
        HILLSPOT.xz 32 Bytes
        
        IBZKPT.xz 132 Bytes
        
        ICONST.xz 32 Bytes
        
        INCAR.xz 640 Bytes
        
        KPOINTS.xz 96 Bytes
        
        OSZICAR.xz 963.2 kB
        
        OUTCAR.xz 65.3 MB
        
        PCDAT.xz 3.0 kB
        
        POSCAR.xz 868 Bytes
        
        PROCAR.xz 59.5 kB
        
        REPORT.xz 198.5 kB
        
        WAVECAR.xz 32 Bytes
        
        XDATCAR.xz 10.0 MB
        
        vasp.out.xz 976.0 kB
        
        vasprun.xml.xz 29.6 MB
      - OSZICAR.bands.xz 364 Bytes
      - OSZICAR.relax1.xz 872 Bytes
      - OSZICAR.relax2.xz 852 Bytes
      - OSZICAR.relax3.xz 860 Bytes
      - OSZICAR.relax4.xz 848 Bytes
      - OSZICAR.relax5.xz 848 Bytes
      - OSZICAR.relax6.xz 852 Bytes
      - OSZICAR.static.xz 752 Bytes
      - OUTCAR.bands.xz 62.7 kB
      - OUTCAR.relax1.xz 21.8 kB
      - OUTCAR.relax2.xz 21.7 kB
      - OUTCAR.relax3.xz 21.6 kB
      - OUTCAR.relax4.xz 21.6 kB
      - OUTCAR.relax5.xz 21.5 kB
      - OUTCAR.relax6.xz 21.6 kB
      - OUTCAR.static.xz 21.3 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 716 Bytes
      - POSCAR.orig.xz 664 Bytes
      - POSCAR.relax1.xz 716 Bytes
      - POSCAR.relax2.xz 712 Bytes
      - POSCAR.relax3.xz 720 Bytes
      - POSCAR.relax4.xz 716 Bytes
      - POSCAR.relax5.xz 716 Bytes
      - POSCAR.relax6.xz 712 Bytes
      - POSCAR.static.xz 696 Bytes
      - PROCAR.bands.xz 1.0 MB
      - PROCAR.relax1.xz 42.8 kB
      - PROCAR.relax2.xz 43.1 kB
      - PROCAR.relax3.xz 42.9 kB
      - PROCAR.relax4.xz 42.9 kB
      - PROCAR.relax5.xz 42.9 kB
      - PROCAR.relax6.xz 43.0 kB
      - PROCAR.static.xz 148.9 kB
      - REPORT.xz 32 Bytes
      - XDATCAR.bands.xz 444 Bytes
      - XDATCAR.relax1.xz 752 Bytes
      - XDATCAR.relax2.xz 736 Bytes
      - XDATCAR.relax3.xz 752 Bytes
      - XDATCAR.relax4.xz 736 Bytes
      - XDATCAR.relax5.xz 740 Bytes
      - XDATCAR.relax6.xz 744 Bytes
      - XDATCAR.static.xz 444 Bytes
      - aflow.agroup.out.xz 1.9 kB
      - aflow.end.out 212 Bytes
      - aflow.error.out.xz 372 Bytes
      - aflow.fgroup.out.xz 1.5 kB
      - aflow.iatoms.out.xz 904 Bytes
      - aflow.in 47.1 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 176 Bytes
      - aflow.qmvasp.out.xz 6.4 kB
      - vasp.out.bands.xz 1.1 kB
      - vasp.out.relax1.xz 1.7 kB
      - vasp.out.relax2.xz 1.7 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 50.9 kB
      - vasprun.xml.relax2.xz 50.6 kB
      - vasprun.xml.relax3.xz 50.8 kB
      - vasprun.xml.relax4.xz 50.5 kB
      - vasprun.xml.relax5.xz 50.7 kB
      - vasprun.xml.relax6.xz 50.3 kB
      - vasprun.xml.static.xz 211.1 kB