!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000 Supported species : B C N 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 -------------------------------- BB 10 / 10 yes BC 10 / 10 yes BN 10 / 10 yes CC 10 / 10 yes CN 10 / 10 yes NN 10 / 10 yes BBB 10 / 10 yes BBC 10 / 10 yes BBN 10 / 10 yes BCC 10 / 10 yes BCN 10 / 10 yes BNN 10 / 10 yes CCC 10 / 10 yes CCN 10 / 10 yes CNN 10 / 10 yes NNN 10 / 10 yes BBBB 10 / 10 yes BBBC 10 / 10 yes BBBN 10 / 10 yes BBCC 10 / 10 yes BBCN 10 / 10 yes BBNN 10 / 10 yes BCCC 10 / 10 yes BCCN 10 / 10 yes BCNN 10 / 10 yes BNNN 10 / 10 yes CCCC 10 / 10 yes CCCN 10 / 10 yes CCNN 10 / 10 yes CNNN 10 / 10 yes NNNN 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.