The Computational Materials Repository

4.1 Extracted Values from Codes 81ments, ase masses, ase momenta, ase moments of inertia, ase name, ase numberof atoms, ase pbc, ase positions, ase potential energy, ase reciprocal cell,ase scaled positions, ase tags, ase temperature, ase total energy, ase version,ase volume, energyunit, gpaw dir, history, lengthunit, nadm, natoms, nbands,nbzkpts, nfinegptsx, nfinegptsy, nfinegptsz, ngptsx, ngptsy, ngptsz, nibzkpts,norbitals, nproj, nspins, pid, pid, units, versionVASPEDIFF, EDIFFG, EMAX, EMIN, ENAUG, ENMAX, IALGO, IBRION, ICHARG,ISIF, ISMEAR, ISPIN, ISTART, LORBIT, MAGMOM, NBANDS, NELECT,NELM, NELMDL, NELMIN, NPAR, NSW, POTIM, PREC, SIGMA, SYSTEM,VOSKOWN, atomic numbers, atoms, cellf, date, divisions, e 0 energy, e fr -energy, e wo entrp, elementnames, forces, kscheme, location, mass, platform,program, pseudo, stress, subversion, types, user, valence, volf, voli