{ "title" "Elastic constants for CaOSi in AFLOW crystal prototype A3B7C2_oI96_46_ab2c_2b6c_abc at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CaOSi in AFLOW crystal prototype A3B7C2_oI96_46_ab2c_2b6c_abc, 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_A3B7C2_oI96_46_ab2c_2b6c_abc_CaOSi__TE_156682942586_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Ca" "O" "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" }