{ "title" "Elastic constants for CuTi in AFLOW crystal prototype A4B3_tI14_139_2e_ae at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CuTi in AFLOW crystal prototype A4B3_tI14_139_2e_ae, 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_A4B3_tI14_139_2e_ae_CuTi__TE_271977217418_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cu" "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" }