{
  "title" "Crystal structure and binding potential versus applied hydrostatic pressure for BDyNi in AFLOW crystal prototype A2B3C13_hP18_191_c_ae_ghi v000"
  "description" "This Test computes the crystal structure and binding potential versus applied hydrostatic pressure for BDyNi in AFLOW crystal prototype A2B3C13_hP18_191_c_ae_ghi. 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_A2B3C13_hP18_191_c_ae_ghi_BDyNi__TE_468082889108_000"
  "test-driver" "CrystalStructureAndEnergyVsPressure__TD_685283176869_000"
  "species" ["B" "Dy" "Ni"]
  "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"
}