!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000 Supported species : Co Cr Fe Mn 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 -------------------------------- CoCo 10 / 10 yes CoCr 10 / 10 yes CoFe 10 / 10 yes CoMn 10 / 10 yes CoNi 10 / 10 yes CrCr 10 / 10 yes CrFe 10 / 10 yes CrMn 10 / 10 yes CrNi 10 / 10 yes FeFe 10 / 10 yes FeMn 10 / 10 yes FeNi 10 / 10 yes MnMn 10 / 10 yes MnNi 10 / 10 yes NiNi 10 / 10 yes CoCoCo 10 / 10 yes CoCoCr 10 / 10 yes CoCoFe 10 / 10 yes CoCoMn 10 / 10 yes CoCoNi 10 / 10 yes CoCrCr 10 / 10 yes CoCrFe 10 / 10 yes CoCrMn 10 / 10 yes CoCrNi 10 / 10 yes CoFeFe 10 / 10 yes CoFeMn 10 / 10 yes CoFeNi 10 / 10 yes CoMnMn 10 / 10 yes CoMnNi 10 / 10 yes CoNiNi 10 / 10 yes CrCrCr 10 / 10 yes CrCrFe 10 / 10 yes CrCrMn 10 / 10 yes CrCrNi 10 / 10 yes CrFeFe 10 / 10 yes CrFeMn 10 / 10 yes CrFeNi 10 / 10 yes CrMnMn 10 / 10 yes CrMnNi 10 / 10 yes CrNiNi 10 / 10 yes FeFeFe 10 / 10 yes FeFeMn 10 / 10 yes FeFeNi 10 / 10 yes FeMnMn 10 / 10 yes FeMnNi 10 / 10 yes FeNiNi 10 / 10 yes MnMnMn 10 / 10 yes MnMnNi 10 / 10 yes MnNiNi 10 / 10 yes NiNiNi 10 / 10 yes CoCoCoCo 10 / 10 yes CoCoCoCr 10 / 10 yes CoCoCoFe 10 / 10 yes CoCoCoMn 10 / 10 yes CoCoCoNi 10 / 10 yes CoCoCrCr 10 / 10 yes CoCoCrFe 10 / 10 yes CoCoCrMn 10 / 10 yes CoCoCrNi 10 / 10 yes CoCoFeFe 10 / 10 yes CoCoFeMn 10 / 10 yes CoCoFeNi 10 / 10 yes CoCoMnMn 10 / 10 yes CoCoMnNi 10 / 10 yes CoCoNiNi 10 / 10 yes CoCrCrCr 10 / 10 yes CoCrCrFe 10 / 10 yes CoCrCrMn 10 / 10 yes CoCrCrNi 10 / 10 yes CoCrFeFe 10 / 10 yes CoCrFeMn 10 / 10 yes CoCrFeNi 10 / 10 yes CoCrMnMn 10 / 10 yes CoCrMnNi 10 / 10 yes CoCrNiNi 10 / 10 yes CoFeFeFe 10 / 10 yes CoFeFeMn 10 / 10 yes CoFeFeNi 10 / 10 yes CoFeMnMn 10 / 10 yes CoFeMnNi 10 / 10 yes CoFeNiNi 10 / 10 yes CoMnMnMn 10 / 10 yes CoMnMnNi 10 / 10 yes CoMnNiNi 10 / 10 yes CoNiNiNi 10 / 10 yes CrCrCrCr 10 / 10 yes CrCrCrFe 10 / 10 yes CrCrCrMn 10 / 10 yes CrCrCrNi 10 / 10 yes CrCrFeFe 10 / 10 yes CrCrFeMn 10 / 10 yes CrCrFeNi 10 / 10 yes CrCrMnMn 10 / 10 yes CrCrMnNi 10 / 10 yes CrCrNiNi 10 / 10 yes CrFeFeFe 10 / 10 yes CrFeFeMn 10 / 10 yes CrFeFeNi 10 / 10 yes CrFeMnMn 10 / 10 yes CrFeMnNi 10 / 10 yes CrFeNiNi 10 / 10 yes CrMnMnMn 10 / 10 yes CrMnMnNi 10 / 10 yes CrMnNiNi 10 / 10 yes CrNiNiNi 10 / 10 yes FeFeFeFe 10 / 10 yes FeFeFeMn 10 / 10 yes FeFeFeNi 10 / 10 yes FeFeMnMn 10 / 10 yes FeFeMnNi 10 / 10 yes FeFeNiNi 10 / 10 yes FeMnMnMn 10 / 10 yes FeMnMnNi 10 / 10 yes FeMnNiNi 10 / 10 yes FeNiNiNi 10 / 10 yes MnMnMnMn 10 / 10 yes MnMnMnNi 10 / 10 yes MnMnNiNi 10 / 10 yes MnNiNiNi 10 / 10 yes NiNiNiNi 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.