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=144.0325202664461 stress="-8.06338064728937 -2.4323653993177308 -0.13878871412387692 -2.4323653993177308 -10.444230237764176 0.7363618989335883 -0.13878871412387692 0.7363618989335883 -5.3583352012525545" free_energy=144.0325202664461 pbc="F T F" C 0.04852473 0.35348325 0.13661615 -121.73602286 -47.36953848 -60.68299697 C 1.40480033 1.15010476 0.11041876 103.87922543 64.03397076 -55.29949334 C 1.26735611 2.83533445 1.24148635 64.46714655 -17.39477379 62.97510176 C 0.08611608 1.53369179 1.52598936 -46.61034912 0.73034151 53.00738855