{
  "title" "Crystal structure and binding potential versus applied hydrostatic pressure for CFe in AFLOW crystal prototype AB2_oP12_62_c_2c v000"
  "description" "This Test computes the crystal structure and binding potential versus applied hydrostatic pressure for CFe in AFLOW crystal prototype AB2_oP12_62_c_2c. A scan over negative and positive hydrostatic pressures is performed, with a symmetry-constrained minimization of the cell and internal degrees of freedom at each step. Binding potential energy, volume, mass density, and the cell and internal crystal structure parameters are reported at each pressure step. The negative pressure scan is stopped when the volume reaches 4 times the zero-pressure volume, and the positive pressure scan is stopped when the volume reaches 0.25 the zero-pressure volume."
  "extended-id" "CrystalStructureAndEnergyVsPressure_AB2_oP12_62_c_2c_CFe__TE_555610300564_000"
  "test-driver" "CrystalStructureAndEnergyVsPressure__TD_685283176869_000"
  "species" ["C" "Fe"]
  "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
  "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
  "executables" ["runner"]
  "domain" "openkim.org"
  "matching-models" ["standard-models"]
  "disclaimer" "Computer generated"
  "kim-api-version" "2.4"
  "publication-year" "2025"
}