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=-8.63066916004 stress="-4.897540311384808 -2.2490771761708923 -0.746370530671641 -2.2490771761708923 -4.782671504183686 -0.04339048149361193 -0.746370530671641 -0.04339048149361193 -4.128367983063072" pbc="F F F" U 0.16431082 -0.18574270 -0.01155935 -16.91664332 -15.67698531 -10.23282319 U 1.53277713 1.39971974 -0.12633864 14.27926856 13.65130779 -5.37377508 U 1.46097674 -0.21780693 1.71813893 7.10270118 -2.27856916 10.74718187 U -0.23283931 1.69410236 1.33096497 -4.46532641 4.30424668 4.85941640