!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 Supported species : Al Mn Pd 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 -------------------------------- AlAl 10 / 10 yes AlMn 10 / 10 yes AlPd 10 / 10 yes MnMn 10 / 10 yes MnPd 10 / 10 yes PdPd 10 / 10 yes AlAlAl 10 / 10 yes AlAlMn 10 / 10 yes AlAlPd 10 / 10 yes AlMnMn 10 / 10 yes AlMnPd 10 / 10 yes AlPdPd 10 / 10 yes MnMnMn 10 / 10 yes MnMnPd 10 / 10 yes MnPdPd 10 / 10 yes PdPdPd 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlMn 10 / 10 yes AlAlAlPd 10 / 10 yes AlAlMnMn 10 / 10 yes AlAlMnPd 10 / 10 yes AlAlPdPd 10 / 10 yes AlMnMnMn 10 / 10 yes AlMnMnPd 10 / 10 yes AlMnPdPd 10 / 10 yes AlPdPdPd 10 / 10 yes MnMnMnMn 10 / 10 yes MnMnMnPd 10 / 10 yes MnMnPdPd 10 / 10 yes MnPdPdPd 10 / 10 yes PdPdPdPd 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.