!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimJungLee_2015_NiAlCo__MO_876687166519_000 Supported species : Al Co 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 -------------------------------- AlAl 10 / 10 yes AlCo 10 / 10 yes AlNi 10 / 10 yes CoCo 10 / 10 yes CoNi 10 / 10 yes NiNi 10 / 10 yes AlAlAl 10 / 10 yes AlAlCo 10 / 10 yes AlAlNi 10 / 10 yes AlCoCo 10 / 10 yes AlCoNi 10 / 10 yes AlNiNi 10 / 10 yes CoCoCo 10 / 10 yes CoCoNi 10 / 10 yes CoNiNi 10 / 10 yes NiNiNi 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlCo 10 / 10 yes AlAlAlNi 10 / 10 yes AlAlCoCo 10 / 10 yes AlAlCoNi 10 / 10 yes AlAlNiNi 10 / 10 yes AlCoCoCo 10 / 10 yes AlCoCoNi 10 / 10 yes AlCoNiNi 10 / 10 yes AlNiNiNi 10 / 10 yes CoCoCoCo 10 / 10 yes CoCoCoNi 10 / 10 yes CoCoNiNi 10 / 10 yes CoNiNiNi 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.