{ "title" "Elastic constants for OP in AFLOW crystal prototype A5B2_hR28_161_a3b_ab at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of OP in AFLOW crystal prototype A5B2_hR28_161_a3b_ab, 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_hR28_161_a3b_ab_OP__TE_908216313786_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["O" "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" }