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=-15.274251429676726 stress="1.6152210468072428 0.04400230232248866 0.010572980468534682 0.04400230232248866 1.858841249853953 0.015229141241165504 0.010572980468534682 0.015229141241165504 1.7941157250564317" free_energy=-15.274251429676726 pbc="T T T" C -0.18564671 0.11115480 0.11044915 -1.18311316 4.70067108 1.96064441 C 1.70960170 1.31143450 -0.16166483 7.65396878 -4.42187307 -2.75147872 C 1.28829595 -0.16490224 1.64041416 -1.97418342 -1.34648646 2.37637238 C -0.22187219 1.51878885 1.32834452 -4.49667220 1.06768844 -1.58553806