{ "title" "Elastic constants for ClHNaO in AFLOW crystal prototype AB4CD2_mP32_14_e_4e_e_2e at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of ClHNaO in AFLOW crystal prototype AB4CD2_mP32_14_e_4e_e_2e, 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_AB4CD2_mP32_14_e_4e_e_2e_ClHNaO__TE_942750851012_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cl" "H" "Na" "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" }