!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 Supported species : Ce Cl H Na O Si 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 -------------------------------- CeCe 10 / 10 yes CeCl 10 / 10 yes CeH 10 / 10 yes CeNa 10 / 10 yes CeO 10 / 10 yes CeSi 10 / 10 yes ClCl 10 / 10 yes ClH 10 / 10 yes ClNa 10 / 10 yes ClO 10 / 10 yes ClSi 10 / 10 yes HH 10 / 10 yes HNa 10 / 10 yes HO 10 / 10 yes HSi 10 / 10 yes NaNa 10 / 10 yes NaO 10 / 10 yes NaSi 10 / 10 yes OO 10 / 10 yes OSi 10 / 10 yes SiSi 10 / 10 yes CeCeCe 10 / 10 yes CeCeCl 10 / 10 yes CeCeH 10 / 10 yes CeCeNa 10 / 10 yes CeCeO 10 / 10 yes CeCeSi 10 / 10 yes CeClCl 10 / 10 yes CeClH 10 / 10 yes CeClNa 10 / 10 yes CeClO 10 / 10 yes CeClSi 10 / 10 yes CeHH 10 / 10 yes CeHNa 10 / 10 yes CeHO 10 / 10 yes CeHSi 10 / 10 yes CeNaNa 10 / 10 yes CeNaO 10 / 10 yes CeNaSi 10 / 10 yes CeOO 10 / 10 yes CeOSi 10 / 10 yes CeSiSi 10 / 10 yes ClClCl 10 / 10 yes ClClH 10 / 10 yes ClClNa 10 / 10 yes ClClO 10 / 10 yes ClClSi 10 / 10 yes ClHH 10 / 10 yes ClHNa 10 / 10 yes ClHO 10 / 10 yes ClHSi 10 / 10 yes ClNaNa 10 / 10 yes ClNaO 10 / 10 yes ClNaSi 10 / 10 yes ClOO 10 / 10 yes ClOSi 10 / 10 yes ClSiSi 10 / 10 yes HHH 10 / 10 yes HHNa 10 / 10 yes HHO 10 / 10 yes HHSi 10 / 10 yes HNaNa 10 / 10 yes HNaO 10 / 10 yes HNaSi 10 / 10 yes HOO 10 / 10 yes HOSi 10 / 10 yes HSiSi 10 / 10 yes NaNaNa 10 / 10 yes NaNaO 10 / 10 yes NaNaSi 10 / 10 yes NaOO 10 / 10 yes NaOSi 10 / 10 yes NaSiSi 10 / 10 yes OOO 10 / 10 yes OOSi 10 / 10 yes OSiSi 10 / 10 yes SiSiSi 10 / 10 yes CeCeCeCe 10 / 10 yes CeCeCeCl 10 / 10 yes CeCeCeH 10 / 10 yes CeCeCeNa 10 / 10 yes CeCeCeO 10 / 10 yes CeCeCeSi 10 / 10 yes CeCeClCl 10 / 10 yes CeCeClH 10 / 10 yes CeCeClNa 10 / 10 yes CeCeClO 10 / 10 yes CeCeClSi 10 / 10 yes CeCeHH 10 / 10 yes CeCeHNa 10 / 10 yes CeCeHO 10 / 10 yes CeCeHSi 10 / 10 yes CeCeNaNa 10 / 10 yes CeCeNaO 10 / 10 yes CeCeNaSi 10 / 10 yes CeCeOO 10 / 10 yes CeCeOSi 10 / 10 yes CeCeSiSi 10 / 10 yes CeClClCl 10 / 10 yes CeClClH 10 / 10 yes CeClClNa 10 / 10 yes CeClClO 10 / 10 yes CeClClSi 10 / 10 yes CeClHH 10 / 10 yes CeClHNa 10 / 10 yes CeClHO 10 / 10 yes CeClHSi 10 / 10 yes CeClNaNa 10 / 10 yes CeClNaO 10 / 10 yes CeClNaSi 10 / 10 yes CeClOO 10 / 10 yes CeClOSi 10 / 10 yes CeClSiSi 10 / 10 yes CeHHH 10 / 10 yes CeHHNa 10 / 10 yes CeHHO 10 / 10 yes CeHHSi 10 / 10 yes CeHNaNa 10 / 10 yes CeHNaO 10 / 10 yes CeHNaSi 10 / 10 yes CeHOO 10 / 10 yes CeHOSi 10 / 10 yes CeHSiSi 10 / 10 yes CeNaNaNa 10 / 10 yes CeNaNaO 10 / 10 yes CeNaNaSi 10 / 10 yes CeNaOO 10 / 10 yes CeNaOSi 10 / 10 yes CeNaSiSi 10 / 10 yes CeOOO 10 / 10 yes CeOOSi 10 / 10 yes CeOSiSi 10 / 10 yes CeSiSiSi 10 / 10 yes ClClClCl 10 / 10 yes ClClClH 10 / 10 yes ClClClNa 10 / 10 yes ClClClO 10 / 10 yes ClClClSi 10 / 10 yes ClClHH 10 / 10 yes ClClHNa 10 / 10 yes ClClHO 10 / 10 yes ClClHSi 10 / 10 yes ClClNaNa 10 / 10 yes ClClNaO 10 / 10 yes ClClNaSi 10 / 10 yes ClClOO 10 / 10 yes ClClOSi 10 / 10 yes ClClSiSi 10 / 10 yes ClHHH 10 / 10 yes ClHHNa 10 / 10 yes ClHHO 10 / 10 yes ClHHSi 10 / 10 yes ClHNaNa 10 / 10 yes ClHNaO 10 / 10 yes ClHNaSi 10 / 10 yes ClHOO 10 / 10 yes ClHOSi 10 / 10 yes ClHSiSi 10 / 10 yes ClNaNaNa 10 / 10 yes ClNaNaO 10 / 10 yes ClNaNaSi 10 / 10 yes ClNaOO 10 / 10 yes ClNaOSi 10 / 10 yes ClNaSiSi 10 / 10 yes ClOOO 10 / 10 yes ClOOSi 10 / 10 yes ClOSiSi 10 / 10 yes ClSiSiSi 10 / 10 yes HHHH 10 / 10 yes HHHNa 10 / 10 yes HHHO 10 / 10 yes HHHSi 10 / 10 yes HHNaNa 10 / 10 yes HHNaO 10 / 10 yes HHNaSi 10 / 10 yes HHOO 10 / 10 yes HHOSi 10 / 10 yes HHSiSi 10 / 10 yes HNaNaNa 10 / 10 yes HNaNaO 10 / 10 yes HNaNaSi 10 / 10 yes HNaOO 10 / 10 yes HNaOSi 10 / 10 yes HNaSiSi 10 / 10 yes HOOO 10 / 10 yes HOOSi 10 / 10 yes HOSiSi 10 / 10 yes HSiSiSi 10 / 10 yes NaNaNaNa 10 / 10 yes NaNaNaO 10 / 10 yes NaNaNaSi 10 / 10 yes NaNaOO 10 / 10 yes NaNaOSi 10 / 10 yes NaNaSiSi 10 / 10 yes NaOOO 10 / 10 yes NaOOSi 10 / 10 yes NaOSiSi 10 / 10 yes NaSiSiSi 10 / 10 yes OOOO 10 / 10 yes OOOSi 10 / 10 yes OOSiSi 10 / 10 yes OSiSiSi 10 / 10 yes SiSiSiSi 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.