{ "title" "Elastic constants for ClHNaO in AFLOW crystal prototype AB2CD5_mC72_15_f_2f_ae_5f at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of ClHNaO in AFLOW crystal prototype AB2CD5_mC72_15_f_2f_ae_5f, 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_AB2CD5_mC72_15_f_2f_ae_5f_ClHNaO__TE_305309229302_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" }