{
  "title" "Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_oC8_63_g v003"
  "extended-id" "EquilibriumCrystalStructure_A_oC8_63_g_Ga__TE_394300641788_003"
  "test-driver" "EquilibriumCrystalStructure__TD_457028483760_003"
  "species" ["Ga"]
  "developer" ["4ad03136-ed7f-4316-b586-1e94ccceb311"
               "360c0aed-48ce-45f6-ba13-337f12a531e8"
               "4d62befd-21c4-42b8-a472-86132e6591f3"
               "c4d2afd1-647e-4347-ae94-5e4772c16883"]
  "description" "Computes the equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_oC8_63_g at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guess for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation is used:\na (angstrom): 7.7917, b/a: 0.59708408, c/a: 0.58838251, x1: 0.83822815, y1: 0.82662815, obtained from OpenKIM Reference Data item RD_062690891627_000"
  "disclaimer" "Computer generated"
  "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
  "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
  "kim-api-version" "2.3"
  "publication-year" "2025"
  "executables" ["runner"]
  "domain" "openkim.org"
  "matching-models" ["standard-models"]
}