Model Extended KIM ID = === Verification check vc-species-supported-as-stated start (2019-07-11 08:12:16) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000 Supported species : O Ti 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 -------------------------------------------------------------------------------- INFO: The model provided, Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000, does not possess a non-trivial energy interaction for species Ti, i.e. the energy computed by the model for a given set of atoms of this species is always equal to the energy it computes for an isolated atom of this species multiplied by the number of atoms present. This message is strictly informational and will not affect the results of this Verification Check. INFO: The model provided, Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000, does not possess a non-trivial force interaction for species Ti i.e. the forces computed by the model for a given set of atoms of this species will always be zero. This message is strictly informational, and will not affect the results of this Verification Check. Cluster Success Supported -------------------------------- OO 10 / 10 yes OTi 10 / 10 yes TiTi 10 / 10 yes OOO 10 / 10 yes OOTi 10 / 10 yes OTiTi 10 / 10 yes TiTiTi 10 / 10 yes OOOO 10 / 10 yes OOOTi 10 / 10 yes OOTiTi 10 / 10 yes OTiTiTi 10 / 10 yes TiTiTiTi 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 (2019-07-11 08:21:13) ===