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=13.525948056643964 stress="-2.4016363390104805 0.8162931242572768 -0.7515520479175132 0.8162931242572768 -2.0046975484124343 -0.37995666492311553 -0.7515520479175132 -0.37995666492311553 -2.0394530092800904" free_energy=13.525948056643964 pbc="T T T" Ne -0.14459490 0.11115480 -0.01275680 24.83452059 -27.07799831 -1.67629962 Ne 1.70960170 1.31143450 0.04092907 -42.54848165 25.42216279 -16.49753530 Ne 1.35333724 0.05786860 1.64041416 -2.49009129 -4.93652920 -4.50798493 Ne -0.22187219 1.51878885 1.32834452 20.20405235 6.59236473 22.68181986