Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2019-02-28 20:13:20) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-species-supported-as-stated !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: This verfication check ensures that a model supports all of the species that it claims. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of supported elements. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful 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. Author: Ellad Tadmor -------------------------------------------------------------------------------- Results for KIM Model : Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 Supported species : C Fe 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 CFe 10 / 10 yes CTi 10 / 10 yes FeFe 10 / 10 yes FeTi 10 / 10 yes TiTi 10 / 10 yes CCC 10 / 10 yes CCFe 10 / 10 yes CCTi 10 / 10 yes CFeFe 10 / 10 yes CFeTi 10 / 10 yes CTiTi 10 / 10 yes FeFeFe 10 / 10 yes FeFeTi 10 / 10 yes FeTiTi 10 / 10 yes TiTiTi 10 / 10 yes CCCC 10 / 10 yes CCCFe 10 / 10 yes CCCTi 10 / 10 yes CCFeFe 10 / 10 yes CCFeTi 10 / 10 yes CCTiTi 10 / 10 yes CFeFeFe 10 / 10 yes CFeFeTi 10 / 10 yes CFeTiTi 10 / 10 yes CTiTiTi 10 / 10 yes FeFeFeFe 10 / 10 yes FeFeFeTi 10 / 10 yes FeFeTiTi 10 / 10 yes FeTiTiTi 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 configrations. === Verification check vc-species-supported-as-stated end (2019-02-28 20:21:36) ===