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=-11.552289257174483 stress="-1.7343086153803136 0.61495141848104 -0.07232984816915154 0.61495141848104 -1.5467204330558064 -0.023862632514779204 -0.07232984816915154 -0.023862632514779204 -1.4330100855249939" free_energy=-11.552289257174483 pbc="F F T" C 0.08611608 0.03369179 0.02598936 -10.54501685 -13.01630664 -5.75637657 C 1.22329650 1.46375436 2.90583543 6.93853145 11.51329677 -4.09365937 C 1.25559716 0.29874826 1.27290972 32.60501962 -24.76914869 5.74786104 C 0.05835534 1.24645637 1.48193431 -28.99853422 26.27215856 4.10217490