Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2023-05-10 03:19:27) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_002 Supported species : Hf Nb Ta Ti 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 -------------------------------- HfHf 10 / 10 yes HfNb 10 / 10 yes HfTa 10 / 10 yes HfTi 10 / 10 yes HfZr 10 / 10 yes NbNb 10 / 10 yes NbTa 10 / 10 yes NbTi 10 / 10 yes NbZr 10 / 10 yes TaTa 10 / 10 yes TaTi 10 / 10 yes TaZr 10 / 10 yes TiTi 10 / 10 yes TiZr 10 / 10 yes ZrZr 10 / 10 yes HfHfHf 10 / 10 yes HfHfNb 10 / 10 yes HfHfTa 10 / 10 yes HfHfTi 10 / 10 yes HfHfZr 10 / 10 yes HfNbNb 10 / 10 yes HfNbTa 10 / 10 yes HfNbTi 10 / 10 yes HfNbZr 10 / 10 yes HfTaTa 10 / 10 yes HfTaTi 10 / 10 yes HfTaZr 10 / 10 yes HfTiTi 10 / 10 yes HfTiZr 10 / 10 yes HfZrZr 10 / 10 yes NbNbNb 10 / 10 yes NbNbTa 10 / 10 yes NbNbTi 10 / 10 yes NbNbZr 10 / 10 yes NbTaTa 10 / 10 yes NbTaTi 10 / 10 yes NbTaZr 10 / 10 yes NbTiTi 10 / 10 yes NbTiZr 10 / 10 yes NbZrZr 10 / 10 yes TaTaTa 10 / 10 yes TaTaTi 10 / 10 yes TaTaZr 10 / 10 yes TaTiTi 10 / 10 yes TaTiZr 10 / 10 yes TaZrZr 10 / 10 yes TiTiTi 10 / 10 yes TiTiZr 10 / 10 yes TiZrZr 10 / 10 yes ZrZrZr 10 / 10 yes HfHfHfHf 10 / 10 yes HfHfHfNb 10 / 10 yes HfHfHfTa 10 / 10 yes HfHfHfTi 10 / 10 yes HfHfHfZr 10 / 10 yes HfHfNbNb 10 / 10 yes HfHfNbTa 10 / 10 yes HfHfNbTi 10 / 10 yes HfHfNbZr 10 / 10 yes HfHfTaTa 10 / 10 yes HfHfTaTi 10 / 10 yes HfHfTaZr 10 / 10 yes HfHfTiTi 10 / 10 yes HfHfTiZr 10 / 10 yes HfHfZrZr 10 / 10 yes HfNbNbNb 10 / 10 yes HfNbNbTa 10 / 10 yes HfNbNbTi 10 / 10 yes HfNbNbZr 10 / 10 yes HfNbTaTa 10 / 10 yes HfNbTaTi 10 / 10 yes HfNbTaZr 10 / 10 yes HfNbTiTi 10 / 10 yes HfNbTiZr 10 / 10 yes HfNbZrZr 10 / 10 yes HfTaTaTa 10 / 10 yes HfTaTaTi 10 / 10 yes HfTaTaZr 10 / 10 yes HfTaTiTi 10 / 10 yes HfTaTiZr 10 / 10 yes HfTaZrZr 10 / 10 yes HfTiTiTi 10 / 10 yes HfTiTiZr 10 / 10 yes HfTiZrZr 10 / 10 yes HfZrZrZr 10 / 10 yes NbNbNbNb 10 / 10 yes NbNbNbTa 10 / 10 yes NbNbNbTi 10 / 10 yes NbNbNbZr 10 / 10 yes NbNbTaTa 10 / 10 yes NbNbTaTi 10 / 10 yes NbNbTaZr 10 / 10 yes NbNbTiTi 10 / 10 yes NbNbTiZr 10 / 10 yes NbNbZrZr 10 / 10 yes NbTaTaTa 10 / 10 yes NbTaTaTi 10 / 10 yes NbTaTaZr 10 / 10 yes NbTaTiTi 10 / 10 yes NbTaTiZr 10 / 10 yes NbTaZrZr 10 / 10 yes NbTiTiTi 10 / 10 yes NbTiTiZr 10 / 10 yes NbTiZrZr 10 / 10 yes NbZrZrZr 10 / 10 yes TaTaTaTa 10 / 10 yes TaTaTaTi 10 / 10 yes TaTaTaZr 10 / 10 yes TaTaTiTi 10 / 10 yes TaTaTiZr 10 / 10 yes TaTaZrZr 10 / 10 yes TaTiTiTi 10 / 10 yes TaTiTiZr 10 / 10 yes TaTiZrZr 10 / 10 yes TaZrZrZr 10 / 10 yes TiTiTiTi 10 / 10 yes TiTiTiZr 10 / 10 yes TiTiZrZr 10 / 10 yes TiZrZrZr 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 configurations. === Verification check vc-species-supported-as-stated end (2023-05-10 03:34:52) ===