{ "title" "Force Numerical Derivative Check using Richardson Extrapolation" "extended-id" "ForcesNumerDeriv__VC_710586816390_001" "simulator-name" "ase" "properties" [ "tag:tadmor@noreply.openkim.org,2017-02-01:property/verification-check" ] "creator" "Ellad Tadmor" "description" "Comparison of the analytical forces obtained from the model with forces computed by numerical differentiation using Richardson extrapolation for a randomly distorted non-periodic structure based off the equilibrium face-centered cubic (fcc) structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files." "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "publication-year" "2017" "kim-api-version" "1.9.0" "domain" "openkim.org" }