{ "title" "Elastic constants for MoS in AFLOW crystal prototype AB2_hR3_160_a_2a at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of MoS in AFLOW crystal prototype AB2_hR3_160_a_2a, 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_AB2_hR3_160_a_2a_MoS__TE_574611310205_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Mo" "S"] "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" }