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=10.332987667801365 stress="-1.3627719995560943 0.40236732198398145 -0.3290697748743741 0.40236732198398145 -1.794787712685719 -0.5884298138454311 -0.3290697748743741 -0.5884298138454311 -1.6855090001675561" free_energy=10.332987667801365 pbc="F T F" Ne 0.11041876 -0.03194186 0.08611608 -16.55255995 -1.93156217 -21.03360988 Ne 1.53369179 1.52598936 0.29874826 10.10999412 -11.69351553 -16.53307720 Ne 1.27290972 -0.11909813 1.36136659 18.72372665 5.34230156 28.29994096 Ne 0.05835534 1.24645637 1.48193431 -12.28116082 8.28277613 9.26674612