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=-7.937591454792394 stress="0.8232471555463475 -0.02757332349982376 -0.3407495854796888 -0.02757332349982376 0.5556286803878924 -0.17800356958107139 -0.3407495854796888 -0.17800356958107139 0.49615112320932114" free_energy=-7.937591454792394 pbc="T T F" C 2.81297298 0.20259391 0.06504129 -1.77675338 5.59816609 3.08479434 C 1.20865944 1.36550211 0.22277084 -4.30604060 -9.53789816 5.72646621 C 1.68584377 0.18362810 1.69581920 4.02436096 -1.90592709 -5.23734983 C 0.14685009 1.76959405 1.67626233 2.05843301 5.84565916 -3.57391072