!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000 Supported species : Al Ca 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 -------------------------------- AlAl 10 / 10 yes AlCa 10 / 10 yes AlO 10 / 10 yes AlSi 10 / 10 yes CaCa 10 / 10 yes CaO 10 / 10 yes CaSi 10 / 10 yes OO 10 / 10 yes OSi 10 / 10 yes SiSi 10 / 10 yes AlAlAl 10 / 10 yes AlAlCa 10 / 10 yes AlAlO 10 / 10 yes AlAlSi 10 / 10 yes AlCaCa 10 / 10 yes AlCaO 10 / 10 yes AlCaSi 10 / 10 yes AlOO 10 / 10 yes AlOSi 10 / 10 yes AlSiSi 10 / 10 yes CaCaCa 10 / 10 yes CaCaO 10 / 10 yes CaCaSi 10 / 10 yes CaOO 10 / 10 yes CaOSi 10 / 10 yes CaSiSi 10 / 10 yes OOO 10 / 10 yes OOSi 10 / 10 yes OSiSi 10 / 10 yes SiSiSi 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlCa 10 / 10 yes AlAlAlO 10 / 10 yes AlAlAlSi 10 / 10 yes AlAlCaCa 10 / 10 yes AlAlCaO 10 / 10 yes AlAlCaSi 10 / 10 yes AlAlOO 10 / 10 yes AlAlOSi 10 / 10 yes AlAlSiSi 10 / 10 yes AlCaCaCa 10 / 10 yes AlCaCaO 10 / 10 yes AlCaCaSi 10 / 10 yes AlCaOO 10 / 10 yes AlCaOSi 10 / 10 yes AlCaSiSi 10 / 10 yes AlOOO 10 / 10 yes AlOOSi 10 / 10 yes AlOSiSi 10 / 10 yes AlSiSiSi 10 / 10 yes CaCaCaCa 10 / 10 yes CaCaCaO 10 / 10 yes CaCaCaSi 10 / 10 yes CaCaOO 10 / 10 yes CaCaOSi 10 / 10 yes CaCaSiSi 10 / 10 yes CaOOO 10 / 10 yes CaOOSi 10 / 10 yes CaOSiSi 10 / 10 yes CaSiSiSi 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.