{
  "title" "Crystal structure and binding potential versus applied hydrostatic pressure for {{stoichiometric_species|join("")}} in AFLOW crystal prototype {{prototype_label}} v{{version}}"
  "description" "This Test computes the crystal structure and binding potential versus applied hydrostatic pressure for {{stoichiometric_species|join("")}} in AFLOW crystal prototype {{prototype_label}}. 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 {{crystal_genome_test_args.max_fractional_volume if crystal_genome_test_args is defined and crystal_genome_test_args.max_fractional_volume is defined else 4}} times the zero-pressure volume, and the positive pressure scan is stopped when the volume reaches {{crystal_genome_test_args.min_fractional_volume if crystal_genome_test_args is defined and crystal_genome_test_args.min_fractional_volume is defined else 1/4}} the zero-pressure volume."
  "extended-id" "{{TEST_DRIVER_NAME.split('_')[:-4]|join('_')}}_{{prototype_label}}_{{stoichiometric_species|join("")}}{{("_min_vol_frac_"+crystal_genome_test_args.min_fractional_volume|string if crystal_genome_test_args is defined and crystal_genome_test_args.min_fractional_volume is defined else "")|replace('.','_')}}{{("_max_vol_frac_"+crystal_genome_test_args.max_fractional_volume|string if crystal_genome_test_args is defined and crystal_genome_test_args.max_fractional_volume is defined else "")|replace('.','_')}}__TE_{{kimnum}}_{{version}}"
  "test-driver" "{{TEST_DRIVER_NAME}}"
  "species" ["{{stoichiometric_species|join('" "')}}"]
  "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" "2024"
}{# FILENAME = kimspec.edn #}