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:Z:I:1:forces:R:3 energy=84830.56247846634 pbc="F T F" Y -0.08073473 -0.15103285 0.23551592 39 -243274.05076418 253689.01342618 -54483.38751860 Y 1.21186762 1.76795892 -0.04586624 39 255718.70495914 -174266.89469687 -126323.82606829 Y 1.68962968 -0.00511871 1.68610721 39 39494.40559348 21973.06103533 17295.44237056 Y 0.22424447 1.63330016 1.54734385 39 -51939.05978843 -101395.17976464 163511.77121633