Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2021-02-07 12:19:21) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimJeonLee_2015_MgCa__MO_611309973581_000 Supported species : Ca Mg 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 -------------------------------- CaCa 10 / 10 yes CaMg 10 / 10 yes MgMg 10 / 10 yes CaCaCa 10 / 10 yes CaCaMg 10 / 10 yes CaMgMg 10 / 10 yes MgMgMg 10 / 10 yes CaCaCaCa 10 / 10 yes CaCaCaMg 10 / 10 yes CaCaMgMg 10 / 10 yes CaMgMgMg 10 / 10 yes MgMgMgMg 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 (2021-02-07 12:19:23) ===