Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2022-08-05 18:20:42) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 Supported species : C Si 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 -------------------------------- CC 10 / 10 yes CSi 10 / 10 yes CTi 10 / 10 yes SiSi 10 / 10 yes SiTi 10 / 10 yes TiTi 10 / 10 yes CCC 10 / 10 yes CCSi 10 / 10 yes CCTi 10 / 10 yes CSiSi 10 / 10 yes CSiTi 10 / 10 yes CTiTi 10 / 10 yes SiSiSi 10 / 10 yes SiSiTi 10 / 10 yes SiTiTi 10 / 10 yes TiTiTi 10 / 10 yes CCCC 10 / 10 yes CCCSi 10 / 10 yes CCCTi 10 / 10 yes CCSiSi 10 / 10 yes CCSiTi 10 / 10 yes CCTiTi 10 / 10 yes CSiSiSi 10 / 10 yes CSiSiTi 10 / 10 yes CSiTiTi 10 / 10 yes CTiTiTi 10 / 10 yes SiSiSiSi 10 / 10 yes SiSiSiTi 10 / 10 yes SiSiTiTi 10 / 10 yes SiTiTiTi 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 (2022-08-05 18:20:56) ===