run with nan

Works for me if I choose two different seeds for the create_atoms command.

Setting up run ...
Memory usage per processor = 10.4453 Mbytes
Step Temp E_pair E_mol TotEng Press
     100 1073 -814.16842 0 -784.90354 605.85354
Loop time of 9.53674e-07 on 1 procs for 0 steps with 212 atoms