4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-5.737805769057262 stress="-2.556087842513542 -0.6443230919160305 -0.45273960805167107 -0.6443230919160305 -2.8164802788787595 0.7755978719194141 -0.45273960805167107 0.7755978719194141 -2.243048302495085" free_energy=-5.737805769057262 pbc="T T F" N 2.86550211 2.78802619 0.22277084 23.52982750 30.97642800 -26.15460590 N 1.68584377 1.68362810 0.19581920 -33.52879746 -15.14651568 -19.78114441 N 1.79985240 0.26959405 1.67626233 -7.44543658 -6.82146386 9.35390622 N 2.85402479 1.70996341 1.49207130 17.44440654 -9.00844847 36.58184408