!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimKimJung_2017_NiAlTi__MO_478967255435_001 Supported species : Al Ni 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 -------------------------------- AlAl 10 / 10 yes AlNi 10 / 10 yes AlTi 10 / 10 yes NiNi 10 / 10 yes NiTi 10 / 10 yes TiTi 10 / 10 yes AlAlAl 10 / 10 yes AlAlNi 10 / 10 yes AlAlTi 10 / 10 yes AlNiNi 10 / 10 yes AlNiTi 10 / 10 yes AlTiTi 10 / 10 yes NiNiNi 10 / 10 yes NiNiTi 10 / 10 yes NiTiTi 10 / 10 yes TiTiTi 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlNi 10 / 10 yes AlAlAlTi 10 / 10 yes AlAlNiNi 10 / 10 yes AlAlNiTi 10 / 10 yes AlAlTiTi 10 / 10 yes AlNiNiNi 10 / 10 yes AlNiNiTi 10 / 10 yes AlNiTiTi 10 / 10 yes AlTiTiTi 10 / 10 yes NiNiNiNi 10 / 10 yes NiNiNiTi 10 / 10 yes NiNiTiTi 10 / 10 yes NiTiTiTi 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.