4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=5.10207742569 stress="-10.079737802751358 -0.925540480927563 0.6667040034466266 -0.925540480927563 -17.870886169571317 0.6899414857536474 0.6667040034466266 0.6899414857536474 -9.142293340872468" pbc="F T F" H 0.07360404 0.04471172 -0.02146788 -9.74134622 -1.79117290 -10.08442973 H 0.88779990 0.60660856 0.10868222 10.61930840 4.45838163 -8.37294219 H 0.64302389 0.10192066 0.64612312 6.52759641 -3.74180844 12.52111755 H -0.13392518 0.67742824 0.87775623 -7.40555859 1.07459971 5.93625437