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=-2.75579700654 stress="-2.7949204602771682 1.0739497055633933 -1.5259131244669693 1.0739497055633933 -2.288920616471465 -1.5377353223009544 -1.5259131244669693 -1.5377353223009544 -0.33935959351866557" pbc="F F F" C 0.18584377 0.18362810 0.38760539 -5.20197237 -3.35369701 -4.00830652 C 1.64685009 1.76959405 0.17626233 -0.38516244 -0.57081228 2.39998458 C 1.35402479 0.20996341 1.27298355 7.69546520 -1.91655634 0.98667098 C 0.15300231 1.53848316 1.45774659 -2.10833039 5.84106563 0.62165097