Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2018-12-15 06:42:35) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005 Supported species : Ni 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 -------------------------------- NiNi 10 / 10 yes NiZr 10 / 10 yes ZrZr 10 / 10 yes NiNiNi 10 / 10 yes NiNiZr 10 / 10 yes NiZrZr 10 / 10 yes ZrZrZr 10 / 10 yes NiNiNiNi 10 / 10 yes NiNiNiZr 10 / 10 yes NiNiZrZr 10 / 10 yes NiZrZrZr 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. === Verification check vc-species-supported-as-stated end (2018-12-15 06:43:11) ===