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=0.8822495478171353 stress="-7.000949474839803 -1.3259259610951935 1.4234200813653053 -1.3259259610951935 -8.732827748506624 -2.1641321901032464 1.4234200813653053 -2.1641321901032464 -7.374132811173234" pbc="F F F" H 0.28278197 0.06210000 0.13362859 -2.16291707 -5.46933057 -3.69090151 H 1.32702941 1.57034430 0.04852473 3.59703804 3.18072819 -1.99798770 H 1.55473499 0.02602945 1.63661615 1.63805294 -0.68517357 1.70507912 H -0.09519967 1.37719504 1.29869006 -3.07217391 2.97377595 3.98381009