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=133.6530499278583 stress="-13.617473545501607 -0.3343900124014134 0.3760588334415579 -0.3343900124014134 -11.896566056669386 -0.8378232402267068 0.3760588334415579 -0.8378232402267068 -16.18735451817836" free_energy=133.6530499278583 pbc="T F T" W 0.03848316 0.19178619 0.17895518 58.22379736 -117.86805160 -61.38934483 W 1.79140871 1.61455359 0.03253581 -83.33892650 108.21296546 -15.34457991 W 1.64904689 0.10609294 1.46603997 -81.63472353 -128.62144562 34.75178834 W -0.19401975 1.32157598 1.51361598 106.74985267 138.27653176 41.98213640