Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2022-08-03 16:33:46) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-species-supported-as-stated !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: This verification check ensures that a model supports all of the species that it claims to. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of the species listed by the model. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful calculation, i.e. the model does not abort during the 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. Note that this definition of 'support' does not imply that the model has non- trivial energy and/or force interactions for any of the species. Author: Ellad Tadmor -------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000 Supported species : Cr Fe Ni 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 -------------------------------- CrCr 10 / 10 yes CrFe 10 / 10 yes CrNi 10 / 10 yes FeFe 10 / 10 yes FeNi 10 / 10 yes NiNi 10 / 10 yes CrCrCr 7 / 10 yes CrCrFe 10 / 10 yes CrCrNi 8 / 10 yes CrFeFe 9 / 10 yes CrFeNi 7 / 10 yes CrNiNi 6 / 10 yes FeFeFe 8 / 10 yes FeFeNi 7 / 10 yes FeNiNi 9 / 10 yes NiNiNi 9 / 10 yes CrCrCrCr 2 / 10 yes CrCrCrFe 4 / 10 yes CrCrCrNi 6 / 10 yes CrCrFeFe 4 / 10 yes CrCrFeNi 5 / 10 yes CrCrNiNi 2 / 10 yes CrFeFeFe 4 / 10 yes CrFeFeNi 3 / 10 yes CrFeNiNi 6 / 10 yes CrNiNiNi 4 / 10 yes FeFeFeFe 6 / 10 yes FeFeFeNi 6 / 10 yes FeFeNiNi 3 / 10 yes FeNiNiNi 5 / 10 yes NiNiNiNi 6 / 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 configurations. === Verification check vc-species-supported-as-stated end (2022-08-03 16:34:27) ===