!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000 Supported species : Mo Nb Ta W 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 -------------------------------- MoMo 10 / 10 yes MoNb 10 / 10 yes MoTa 10 / 10 yes MoW 10 / 10 yes NbNb 10 / 10 yes NbTa 10 / 10 yes NbW 10 / 10 yes TaTa 10 / 10 yes TaW 10 / 10 yes WW 10 / 10 yes MoMoMo 10 / 10 yes MoMoNb 10 / 10 yes MoMoTa 10 / 10 yes MoMoW 10 / 10 yes MoNbNb 10 / 10 yes MoNbTa 10 / 10 yes MoNbW 10 / 10 yes MoTaTa 10 / 10 yes MoTaW 10 / 10 yes MoWW 10 / 10 yes NbNbNb 10 / 10 yes NbNbTa 10 / 10 yes NbNbW 10 / 10 yes NbTaTa 10 / 10 yes NbTaW 10 / 10 yes NbWW 10 / 10 yes TaTaTa 10 / 10 yes TaTaW 10 / 10 yes TaWW 10 / 10 yes WWW 10 / 10 yes MoMoMoMo 10 / 10 yes MoMoMoNb 10 / 10 yes MoMoMoTa 10 / 10 yes MoMoMoW 10 / 10 yes MoMoNbNb 10 / 10 yes MoMoNbTa 10 / 10 yes MoMoNbW 10 / 10 yes MoMoTaTa 10 / 10 yes MoMoTaW 10 / 10 yes MoMoWW 10 / 10 yes MoNbNbNb 10 / 10 yes MoNbNbTa 10 / 10 yes MoNbNbW 10 / 10 yes MoNbTaTa 10 / 10 yes MoNbTaW 10 / 10 yes MoNbWW 10 / 10 yes MoTaTaTa 10 / 10 yes MoTaTaW 10 / 10 yes MoTaWW 10 / 10 yes MoWWW 10 / 10 yes NbNbNbNb 10 / 10 yes NbNbNbTa 10 / 10 yes NbNbNbW 10 / 10 yes NbNbTaTa 10 / 10 yes NbNbTaW 10 / 10 yes NbNbWW 10 / 10 yes NbTaTaTa 10 / 10 yes NbTaTaW 10 / 10 yes NbTaWW 10 / 10 yes NbWWW 10 / 10 yes TaTaTaTa 10 / 10 yes TaTaTaW 10 / 10 yes TaTaWW 10 / 10 yes TaWWW 10 / 10 yes WWWW 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.