!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_000 Supported species : Cu N Ti 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 -------------------------------- CuCu 10 / 10 yes CuN 10 / 10 yes CuTi 10 / 10 yes NN 10 / 10 yes NTi 10 / 10 yes TiTi 10 / 10 yes CuCuCu 10 / 10 yes CuCuN 10 / 10 yes CuCuTi 10 / 10 yes CuNN 10 / 10 yes CuNTi 10 / 10 yes CuTiTi 10 / 10 yes NNN 10 / 10 yes NNTi 10 / 10 yes NTiTi 10 / 10 yes TiTiTi 10 / 10 yes CuCuCuCu 10 / 10 yes CuCuCuN 10 / 10 yes CuCuCuTi 10 / 10 yes CuCuNN 10 / 10 yes CuCuNTi 10 / 10 yes CuCuTiTi 10 / 10 yes CuNNN 10 / 10 yes CuNNTi 10 / 10 yes CuNTiTi 10 / 10 yes CuTiTiTi 10 / 10 yes NNNN 10 / 10 yes NNNTi 10 / 10 yes NNTiTi 10 / 10 yes NTiTiTi 10 / 10 yes TiTiTiTi 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.