{ "title" "Elastic constants for CHNO in AFLOW crystal prototype A5B12C2D_oP40_31_3ab_2a5b_2a_a at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CHNO in AFLOW crystal prototype A5B12C2D_oP40_31_3ab_2a5b_2a_a, 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_A5B12C2D_oP40_31_3ab_2a5b_2a_a_CHNO__TE_084792675178_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" }