Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2018-12-15 06:44:29) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-species-supported-as-stated !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: This verfication check ensures that a model supports all of the species that it claims. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of supported elements. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful calculation. This algorithm accounts for the fact that some models may only support species in certain combinations. For example a model supporting species A and B may be for an AB alloy and may only support A-B interactions and not A-A or B-B. The output provides full information on which interactions are supported and which are not. Author: Ellad Tadmor -------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 Supported species : Ag Au Cu Maximum cluster size considered (#atoms) = 4 Maximum number of allowed combinations = 10000 Radius of ball containing clusters: = 1.500 Minimum allowed distance between atoms: = 1.000 Number of random samples for each cluster = 10 Random number seed: = 13 -------------------------------------------------------------------------------- Cluster Success Supported -------------------------------- AgAg 10 / 10 yes AgAu 10 / 10 yes AgCu 10 / 10 yes AuAu 10 / 10 yes AuCu 10 / 10 yes CuCu 10 / 10 yes AgAgAg 10 / 10 yes AgAgAu 10 / 10 yes AgAgCu 10 / 10 yes AgAuAu 10 / 10 yes AgAuCu 10 / 10 yes AgCuCu 10 / 10 yes AuAuAu 10 / 10 yes AuAuCu 10 / 10 yes AuCuCu 10 / 10 yes CuCuCu 10 / 10 yes AgAgAgAg 10 / 10 yes AgAgAgAu 10 / 10 yes AgAgAgCu 10 / 10 yes AgAgAuAu 10 / 10 yes AgAgAuCu 10 / 10 yes AgAgCuCu 10 / 10 yes AgAuAuAu 10 / 10 yes AgAuAuCu 10 / 10 yes AgAuCuCu 10 / 10 yes AgCuCuCu 10 / 10 yes AuAuAuAu 9 / 10 yes AuAuAuCu 10 / 10 yes AuAuCuCu 10 / 10 yes AuCuCuCu 10 / 10 yes CuCuCuCu 10 / 10 yes -------------------------------- ================================================================================ To pass this verification check each model element must be supported in at least one cluster combination. Grade: P Comment: All elements claimed by model are supported in at least one of the tested configrations. === Verification check vc-species-supported-as-stated end (2018-12-15 06:45:51) ===