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=69.33794015811853 stress="-504.1335900757896 -61.37860115606254 238.95036568472685 -61.37860115606254 -169.4645063604046 34.56028542106294 238.95036568472685 34.56028542106294 -438.64966936075865" pbc="F F F" Li -0.04655451 -0.23718450 0.06744097 -58.84674394 -56.82899406 -100.83862015 Li 1.21538684 1.77901736 0.10883316 287.23025235 80.80404934 -251.57653752 Li 1.27694166 -0.10448631 1.57134481 88.60330934 -30.30184274 75.43984385 Li -0.12352843 1.43321009 1.27913272 -316.98681775 6.32678746 276.97531383