{ "title" "Elastic constants for FeP in AFLOW crystal prototype A4B_tP5_123_ace_b at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of FeP in AFLOW crystal prototype A4B_tP5_123_ace_b, 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_A4B_tP5_123_ace_b_FeP__TE_649578035642_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Fe" "P"] "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" }