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=-30.54796647407079 stress="0.7196701717148846 0.21743032008720872 -0.011500028303786812 0.21743032008720872 1.6290834668049075 0.11213847657426257 -0.011500028303786812 0.11213847657426257 1.8993649254876839" pbc="F T T" B 0.18272242 0.10538698 -0.25700868 8.63193993 3.45470126 0.51736478 B 1.22614561 1.76441608 0.06478571 -6.83239449 -4.49244515 0.80950861 B 1.54880032 0.31117497 1.42947427 -8.75927409 -0.80103875 -0.42297648 B 0.13442096 1.27259738 1.45638147 6.95972865 1.83878264 -0.90389690