!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EMT_Asap_MetalGlass_CuMgZr__MO_655725647552_002 Supported species : Cu Mg Zr 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 -------------------------------- CuCu 10 / 10 yes CuMg 10 / 10 yes CuZr 10 / 10 yes MgMg 10 / 10 yes MgZr 10 / 10 yes ZrZr 10 / 10 yes CuCuCu 10 / 10 yes CuCuMg 10 / 10 yes CuCuZr 10 / 10 yes CuMgMg 10 / 10 yes CuMgZr 10 / 10 yes CuZrZr 10 / 10 yes MgMgMg 10 / 10 yes MgMgZr 10 / 10 yes MgZrZr 10 / 10 yes ZrZrZr 10 / 10 yes CuCuCuCu 10 / 10 yes CuCuCuMg 10 / 10 yes CuCuCuZr 10 / 10 yes CuCuMgMg 10 / 10 yes CuCuMgZr 10 / 10 yes CuCuZrZr 10 / 10 yes CuMgMgMg 10 / 10 yes CuMgMgZr 10 / 10 yes CuMgZrZr 10 / 10 yes CuZrZrZr 10 / 10 yes MgMgMgMg 10 / 10 yes MgMgMgZr 10 / 10 yes MgMgZrZr 10 / 10 yes MgZrZrZr 10 / 10 yes ZrZrZrZr 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.