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=0.5235109330010115 stress="-0.026984255023319217 0.0001666892560840518 -0.00043703317091545695 0.0001666892560840518 -0.039422131026372105 0.0010141785063066814 -0.00043703317091545695 0.0010141785063066814 -0.02520092499919753" pbc="F T F" H 0.28187239 0.01001192 0.10170120 -0.27046685 -0.04200238 -0.24519694 H 1.37793365 1.21904386 0.00082602 0.24157870 0.05909751 -0.27550922 H 1.74624097 0.14302402 1.35498893 0.28655029 -0.04414074 0.24638933 H 0.11042859 1.62281007 1.35512851 -0.25766215 0.02704560 0.27431683