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=-16.5578302793 stress="-0.8000368163722696 -0.42995534642960037 1.1062565885812183 -0.42995534642960037 2.0369894988410664 -0.21282616018255018 1.1062565885812183 -0.21282616018255018 1.5480823207990477" pbc="F F F" C -0.08147842 -0.04210664 -0.11174318 0.16387441 2.94110099 3.58255618 C 1.27041603 1.69178619 0.17895518 4.53824773 -4.11246546 1.85482651 C 1.79140871 0.11455359 1.53253581 -0.55756841 4.55016032 -4.38567608 C 0.11508687 1.28091226 1.41207319 -4.14455373 -3.37879585 -1.05170662