!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 Supported species : Ni Ti V 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 -------------------------------- NiNi 10 / 10 yes NiTi 10 / 10 yes NiV 10 / 10 yes TiTi 10 / 10 yes TiV 10 / 10 yes VV 10 / 10 yes NiNiNi 10 / 10 yes NiNiTi 10 / 10 yes NiNiV 10 / 10 yes NiTiTi 10 / 10 yes NiTiV 10 / 10 yes NiVV 10 / 10 yes TiTiTi 10 / 10 yes TiTiV 10 / 10 yes TiVV 10 / 10 yes VVV 10 / 10 yes NiNiNiNi 10 / 10 yes NiNiNiTi 10 / 10 yes NiNiNiV 10 / 10 yes NiNiTiTi 10 / 10 yes NiNiTiV 10 / 10 yes NiNiVV 10 / 10 yes NiTiTiTi 10 / 10 yes NiTiTiV 10 / 10 yes NiTiVV 10 / 10 yes NiVVV 10 / 10 yes TiTiTiTi 10 / 10 yes TiTiTiV 10 / 10 yes TiTiVV 10 / 10 yes TiVVV 10 / 10 yes VVVV 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.