{ "title" "Elastic constants for CHNO in AFLOW crystal prototype A2B7C7D6_aP44_2_2i_7i_7i_6i at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CHNO in AFLOW crystal prototype A2B7C7D6_aP44_2_2i_7i_7i_6i, 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_A2B7C7D6_aP44_2_2i_7i_7i_6i_CHNO__TE_735012844223_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" }