That's energy ouptut from minimization with that parametries ( there is also 1 step of steep minimization before that )
integrator = l-bfgs emtol = 0.001 emstep = 0.001 ; Energy step size nsteps = 5000000000 ; Maximum number of (minimization) steps to perform ; Parameters describing how to find the neighbors of each atom and how to calculate the interactions nstlist = 1 ; Frequency to update the neighbor list and long range forces ns_type = grid ; Method to determine neighbor list (simple, grid) rlist = 1.2 ; Cut-off for making neighbor list (short range forces) coulombtype = Shift rcoulomb = 1.0 rcoulomb_switch = 0.7 vdwtype = Shift rvdw = 1.0 rvdw_switch = 0.7 Output: Low-Memory BFGS Minimizer converged to Fmax < 0.001 in 3646 steps Potential Energy = 2.28946300988746e+03 Maximum force = 8.47298141911052e-04 on atom 100 Norm of force = 3.90346504086500e-04 I'm not sure about the succses of that minimization due to the big Epot.
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