Also, you should check your unit conversions, since REBO and ReaxFF
typically are used with metal and real units, respectively.
Aidan P. Thompson
01425 Advanced Device Technologies
Sandia National Laboratories
PO Box 5800, MS 1322 Phone: 505-844-9702
Albuquerque, NM 87185 Fax : 505-845-7442
E-mail:[email protected] Cell : 505-550-2614