{ "title" "Elastic constants for FeHO in AFLOW crystal prototype A5BC8_hP28_186_2bc_a_ab2c at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of FeHO in AFLOW crystal prototype A5BC8_hP28_186_2bc_a_ab2c, 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_A5BC8_hP28_186_2bc_a_ab2c_FeHO__TE_722628888372_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Fe" "H" "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" }