Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2021-02-15 12:49:48) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ShimKoKim_2013_NiVH__MO_612225165948_000 Supported species : H Ni 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 -------------------------------- HH 10 / 10 yes HNi 10 / 10 yes HV 10 / 10 yes NiNi 10 / 10 yes NiV 10 / 10 yes VV 10 / 10 yes HHH 10 / 10 yes HHNi 10 / 10 yes HHV 10 / 10 yes HNiNi 10 / 10 yes HNiV 10 / 10 yes HVV 10 / 10 yes NiNiNi 10 / 10 yes NiNiV 10 / 10 yes NiVV 10 / 10 yes VVV 10 / 10 yes HHHH 10 / 10 yes HHHNi 10 / 10 yes HHHV 10 / 10 yes HHNiNi 10 / 10 yes HHNiV 10 / 10 yes HHVV 10 / 10 yes HNiNiNi 10 / 10 yes HNiNiV 10 / 10 yes HNiVV 10 / 10 yes HVVV 10 / 10 yes NiNiNiNi 10 / 10 yes NiNiNiV 10 / 10 yes NiNiVV 10 / 10 yes NiVVV 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. === Verification check vc-species-supported-as-stated end (2021-02-15 12:49:55) ===