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=185.9738836204762 stress="-16.295121478319405 -1.0278217333310644 1.6530993726189955 -1.0278217333310644 -18.01517051630674 -1.5423137469245398 1.6530993726189955 -1.5423137469245398 -20.103616006686945" free_energy=185.9738836204762 pbc="T F T" U 0.03848316 0.19178619 0.17895518 127.69083753 -170.02466699 -114.25632707 U 1.79140871 1.61455359 0.03253581 -134.26925313 151.11517130 -39.17630888 U 1.64904689 0.10609294 1.46603997 -173.88385679 -205.71586527 62.49809657 U 2.80598025 1.32157598 1.51361598 180.46227239 224.62536096 90.93453938