{ "title" "Elastic constants for ClHSi in AFLOW crystal prototype A4B8C5_tI34_82_g_2g_ag at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of ClHSi in AFLOW crystal prototype A4B8C5_tI34_82_g_2g_ag, 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_A4B8C5_tI34_82_g_2g_ag_ClHSi__TE_684946179012_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cl" "H" "Si"] "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" }