!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_XiaoShiHao_2017_PHOC__SM_424780295507_000 Supported species : C H O P 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 -------------------------------- CC 10 / 10 yes CH 10 / 10 yes CO 10 / 10 yes CP 10 / 10 yes HH 10 / 10 yes HO 10 / 10 yes HP 10 / 10 yes OO 10 / 10 yes OP 10 / 10 yes PP 10 / 10 yes CCC 10 / 10 yes CCH 10 / 10 yes CCO 10 / 10 yes CCP 10 / 10 yes CHH 10 / 10 yes CHO 10 / 10 yes CHP 10 / 10 yes COO 10 / 10 yes COP 10 / 10 yes CPP 10 / 10 yes HHH 10 / 10 yes HHO 10 / 10 yes HHP 10 / 10 yes HOO 10 / 10 yes HOP 10 / 10 yes HPP 10 / 10 yes OOO 10 / 10 yes OOP 10 / 10 yes OPP 10 / 10 yes PPP 10 / 10 yes CCCC 10 / 10 yes CCCH 10 / 10 yes CCCO 10 / 10 yes CCCP 10 / 10 yes CCHH 10 / 10 yes CCHO 10 / 10 yes CCHP 10 / 10 yes CCOO 10 / 10 yes CCOP 10 / 10 yes CCPP 10 / 10 yes CHHH 10 / 10 yes CHHO 10 / 10 yes CHHP 10 / 10 yes CHOO 10 / 10 yes CHOP 10 / 10 yes CHPP 10 / 10 yes COOO 10 / 10 yes COOP 10 / 10 yes COPP 10 / 10 yes CPPP 10 / 10 yes HHHH 10 / 10 yes HHHO 10 / 10 yes HHHP 10 / 10 yes HHOO 10 / 10 yes HHOP 10 / 10 yes HHPP 10 / 10 yes HOOO 10 / 10 yes HOOP 10 / 10 yes HOPP 10 / 10 yes HPPP 10 / 10 yes OOOO 10 / 10 yes OOOP 10 / 10 yes OOPP 10 / 10 yes OPPP 10 / 10 yes PPPP 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.