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=10.353189331505735 stress="-3.145949364874791 -0.23325101562394446 0.299744186651849 -0.23325101562394446 -3.3076425510338745 0.03973419841914181 0.299744186651849 0.03973419841914181 -3.047821490374072" free_energy=10.353189331505735 pbc="T T T" V -0.24705295 -0.23932283 0.09609556 18.32807964 17.51930102 12.24350410 V 1.69104769 1.46850990 -0.04716377 -28.39234014 -20.18159912 21.51327029 V 1.28353165 -0.29927041 1.66323315 -7.37221013 12.45166160 -13.32455818 V -0.15371586 1.29061752 1.74339277 17.43647063 -9.78936350 -20.43221620