Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2021-02-07 12:29:42) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000 Supported species : C Fe Nb 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 -------------------------------- CC 10 / 10 yes CFe 10 / 10 yes CNb 10 / 10 yes FeFe 10 / 10 yes FeNb 10 / 10 yes NbNb 10 / 10 yes CCC 10 / 10 yes CCFe 10 / 10 yes CCNb 10 / 10 yes CFeFe 10 / 10 yes CFeNb 10 / 10 yes CNbNb 10 / 10 yes FeFeFe 10 / 10 yes FeFeNb 10 / 10 yes FeNbNb 10 / 10 yes NbNbNb 10 / 10 yes CCCC 10 / 10 yes CCCFe 10 / 10 yes CCCNb 10 / 10 yes CCFeFe 10 / 10 yes CCFeNb 10 / 10 yes CCNbNb 10 / 10 yes CFeFeFe 10 / 10 yes CFeFeNb 10 / 10 yes CFeNbNb 10 / 10 yes CNbNbNb 10 / 10 yes FeFeFeFe 10 / 10 yes FeFeFeNb 10 / 10 yes FeFeNbNb 10 / 10 yes FeNbNbNb 10 / 10 yes NbNbNbNb 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 configurations. === Verification check vc-species-supported-as-stated end (2021-02-07 12:29:52) ===