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=-11.9501648162 stress="1.1670971708548694 0.11349077847228235 -0.1000923672151453 0.11349077847228235 1.179699930773905 0.1723318104993834 -0.1000923672151453 0.1723318104993834 1.2101510022115909" pbc="F F F" C -0.18331863 -0.08013605 -0.25603453 2.10550173 2.53577485 2.44295491 C 1.59073906 1.77219963 -0.06618674 -2.11629670 -2.75943578 2.43822744 C 1.63132919 0.25978669 1.22592512 -2.20526134 2.24311813 -2.06294031 C -0.21495266 1.68365717 1.70288723 2.21605632 -2.01945719 -2.81824203