{ "title" "Elastic constants for Mn in AFLOW crystal prototype A_cI58_217_ac2g at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of Mn in AFLOW crystal prototype A_cI58_217_ac2g, 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_A_cI58_217_ac2g_Mn__TE_456283163169_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Mn"] "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" }