Tosi-Fumi=coulomb LiCl molten salts integrator velocity verlet temperature 973.00 ensemble nve steps 140000 equilibration 4000 multiple step 1 scale 10 print 50 stack 100 stats 10 rdf 1 traj 1 100 0 timestep 0.002 cutoff 11.50 delr width 0.5000 ewald precision 1d-6 shake tolerance 1.0E-5 quaternion tolerance 1.0E-5 print rdf job time 14000.00 close time 500.00 finish