Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2023-05-09 13:05:56) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002 Supported species : Al N 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 AlN 10 / 10 yes AlTi 10 / 10 yes NN 10 / 10 yes NTi 10 / 10 yes TiTi 10 / 10 yes AlAlAl 10 / 10 yes AlAlN 10 / 10 yes AlAlTi 10 / 10 yes AlNN 10 / 10 yes AlNTi 10 / 10 yes AlTiTi 10 / 10 yes NNN 10 / 10 yes NNTi 10 / 10 yes NTiTi 10 / 10 yes TiTiTi 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlN 10 / 10 yes AlAlAlTi 10 / 10 yes AlAlNN 10 / 10 yes AlAlNTi 10 / 10 yes AlAlTiTi 10 / 10 yes AlNNN 10 / 10 yes AlNNTi 10 / 10 yes AlNTiTi 10 / 10 yes AlTiTiTi 10 / 10 yes NNNN 10 / 10 yes NNNTi 10 / 10 yes NNTiTi 10 / 10 yes NTiTiTi 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. === Verification check vc-species-supported-as-stated end (2023-05-09 13:06:07) ===