{
  "title" "Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP12_186_a2b_a2b v003"
  "extended-id" "EquilibriumCrystalStructure_AB_hP12_186_a2b_a2b_CSi__TE_659751161955_003"
  "test-driver" "EquilibriumCrystalStructure__TD_457028483760_003"
  "species" ["C" "Si"]
  "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 CSi in AFLOW crystal prototype AB_hP12_186_a2b_a2b 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): 3.0946, c/a: 4.9075486, z1: 0.12540823, z2: 6.1691626e-05, z3: 0.79179857, z4: 0.45829706, z5: 0.66680468, z6: 0.33328977, obtained from OpenKIM Reference Data item RD_091901798837_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"]
}