{ "title" "Elastic constants for CHNO in AFLOW crystal prototype A2B12C14D_mP58_13_g_6g_7g_e at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CHNO in AFLOW crystal prototype A2B12C14D_mP58_13_g_6g_7g_e, this Test computes the corresponding elastic constants using numerical differentiation. By default, the Hessian of the energy w.r.t. strain is used, but depending on the computed uncertainty and material symmetry violation, the Jacobian of the stress w.r.t. strain may be used instead." "extended-id" "ElasticConstantsCrystal_A2B12C14D_mP58_13_g_6g_7g_e_CHNO__TE_345405577945_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["C" "H" "N" "O"] "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" "2.3" "publication-year" "2024" }