!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 Supported species : Al Cu Fe Mg Si 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 -------------------------------- AlAl 10 / 10 yes AlCu 10 / 10 yes AlFe 10 / 10 yes AlMg 10 / 10 yes AlSi 10 / 10 yes CuCu 10 / 10 yes CuFe 10 / 10 yes CuMg 10 / 10 yes CuSi 10 / 10 yes FeFe 10 / 10 yes FeMg 10 / 10 yes FeSi 10 / 10 yes MgMg 10 / 10 yes MgSi 10 / 10 yes SiSi 10 / 10 yes AlAlAl 10 / 10 yes AlAlCu 10 / 10 yes AlAlFe 10 / 10 yes AlAlMg 10 / 10 yes AlAlSi 10 / 10 yes AlCuCu 10 / 10 yes AlCuFe 10 / 10 yes AlCuMg 10 / 10 yes AlCuSi 10 / 10 yes AlFeFe 10 / 10 yes AlFeMg 10 / 10 yes AlFeSi 10 / 10 yes AlMgMg 10 / 10 yes AlMgSi 10 / 10 yes AlSiSi 10 / 10 yes CuCuCu 10 / 10 yes CuCuFe 10 / 10 yes CuCuMg 10 / 10 yes CuCuSi 10 / 10 yes CuFeFe 10 / 10 yes CuFeMg 10 / 10 yes CuFeSi 10 / 10 yes CuMgMg 10 / 10 yes CuMgSi 10 / 10 yes CuSiSi 10 / 10 yes FeFeFe 10 / 10 yes FeFeMg 10 / 10 yes FeFeSi 10 / 10 yes FeMgMg 10 / 10 yes FeMgSi 10 / 10 yes FeSiSi 10 / 10 yes MgMgMg 10 / 10 yes MgMgSi 10 / 10 yes MgSiSi 10 / 10 yes SiSiSi 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlCu 10 / 10 yes AlAlAlFe 10 / 10 yes AlAlAlMg 10 / 10 yes AlAlAlSi 10 / 10 yes AlAlCuCu 10 / 10 yes AlAlCuFe 10 / 10 yes AlAlCuMg 10 / 10 yes AlAlCuSi 10 / 10 yes AlAlFeFe 10 / 10 yes AlAlFeMg 10 / 10 yes AlAlFeSi 10 / 10 yes AlAlMgMg 10 / 10 yes AlAlMgSi 10 / 10 yes AlAlSiSi 10 / 10 yes AlCuCuCu 10 / 10 yes AlCuCuFe 10 / 10 yes AlCuCuMg 10 / 10 yes AlCuCuSi 10 / 10 yes AlCuFeFe 10 / 10 yes AlCuFeMg 10 / 10 yes AlCuFeSi 10 / 10 yes AlCuMgMg 10 / 10 yes AlCuMgSi 10 / 10 yes AlCuSiSi 10 / 10 yes AlFeFeFe 10 / 10 yes AlFeFeMg 10 / 10 yes AlFeFeSi 10 / 10 yes AlFeMgMg 10 / 10 yes AlFeMgSi 10 / 10 yes AlFeSiSi 10 / 10 yes AlMgMgMg 10 / 10 yes AlMgMgSi 10 / 10 yes AlMgSiSi 10 / 10 yes AlSiSiSi 10 / 10 yes CuCuCuCu 10 / 10 yes CuCuCuFe 10 / 10 yes CuCuCuMg 10 / 10 yes CuCuCuSi 10 / 10 yes CuCuFeFe 10 / 10 yes CuCuFeMg 10 / 10 yes CuCuFeSi 10 / 10 yes CuCuMgMg 10 / 10 yes CuCuMgSi 10 / 10 yes CuCuSiSi 10 / 10 yes CuFeFeFe 10 / 10 yes CuFeFeMg 10 / 10 yes CuFeFeSi 10 / 10 yes CuFeMgMg 10 / 10 yes CuFeMgSi 10 / 10 yes CuFeSiSi 10 / 10 yes CuMgMgMg 10 / 10 yes CuMgMgSi 10 / 10 yes CuMgSiSi 10 / 10 yes CuSiSiSi 10 / 10 yes FeFeFeFe 10 / 10 yes FeFeFeMg 10 / 10 yes FeFeFeSi 10 / 10 yes FeFeMgMg 10 / 10 yes FeFeMgSi 10 / 10 yes FeFeSiSi 10 / 10 yes FeMgMgMg 10 / 10 yes FeMgMgSi 10 / 10 yes FeMgSiSi 10 / 10 yes FeSiSiSi 10 / 10 yes MgMgMgMg 10 / 10 yes MgMgMgSi 10 / 10 yes MgMgSiSi 10 / 10 yes MgSiSiSi 10 / 10 yes SiSiSiSi 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.