{ "title" "Elastic constants for OTa in AFLOW crystal prototype A5B2_mC28_15_e2f_f at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of OTa in AFLOW crystal prototype A5B2_mC28_15_e2f_f, 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_A5B2_mC28_15_e2f_f_OTa__TE_395403146269_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["O" "Ta"] "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" }