!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_BOP_WardZhouWong_2012_CdZnTe__SM_409035133405_000 Supported species : Cd Te Zn 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 -------------------------------- CdCd 10 / 10 yes CdTe 10 / 10 yes CdZn 10 / 10 yes TeTe 10 / 10 yes TeZn 10 / 10 yes ZnZn 10 / 10 yes CdCdCd 10 / 10 yes CdCdTe 10 / 10 yes CdCdZn 10 / 10 yes CdTeTe 10 / 10 yes CdTeZn 10 / 10 yes CdZnZn 10 / 10 yes TeTeTe 10 / 10 yes TeTeZn 10 / 10 yes TeZnZn 10 / 10 yes ZnZnZn 10 / 10 yes CdCdCdCd 10 / 10 yes CdCdCdTe 10 / 10 yes CdCdCdZn 10 / 10 yes CdCdTeTe 10 / 10 yes CdCdTeZn 10 / 10 yes CdCdZnZn 10 / 10 yes CdTeTeTe 10 / 10 yes CdTeTeZn 10 / 10 yes CdTeZnZn 10 / 10 yes CdZnZnZn 10 / 10 yes TeTeTeTe 10 / 10 yes TeTeTeZn 10 / 10 yes TeTeZnZn 10 / 10 yes TeZnZnZn 10 / 10 yes ZnZnZnZn 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.