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=61.120323833407156 stress="-4.729340754012238 0.4357342122257735 -0.2855747921489287 0.4357342122257735 -4.842425213699594 -0.5516639409012742 -0.2855747921489287 -0.5516639409012742 -5.433318897653296" pbc="T T T" Ar -0.14459490 0.11115480 0.11044915 15.85892468 -33.45367712 -10.33106254 Ar 1.70960170 1.31143450 -0.16166483 -25.20523930 26.71394247 4.77784158 Ar 1.28829595 0.03769167 1.64041416 -4.35325683 -20.40105054 -7.78381328 Ar -0.22187219 1.22744829 1.32834452 13.69957144 27.14078519 13.33703424