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=-5.130568644477103 stress="0.014087449355510425 -0.16017449057528474 0.04724007421375044 -0.16017449057528474 0.06051611048873896 0.034785083791459684 0.04724007421375044 0.034785083791459684 -0.08602563907015262" free_energy=-5.130568644477103 pbc="T F F" C 2.93745442 0.09073906 0.27219963 -1.39210777 0.29757743 -0.75823378 C 1.43381326 1.63132919 0.25978669 2.07479606 0.79305131 -0.90565716 C 1.22592512 0.18365717 1.70288723 -1.75420304 1.38587794 1.39285658 C 0.08343331 1.29585403 1.44809454 1.07151475 -2.47650669 0.27103436