{ "title" "Elastic constants for OTi in AFLOW crystal prototype A11B6_aP102_2_33i_18i at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of OTi in AFLOW crystal prototype A11B6_aP102_2_33i_18i, 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_A11B6_aP102_2_33i_18i_OTi__TE_444347551831_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["O" "Ti"] "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" }