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=-10.37944304015879 stress="0.6139885824009428 0.21259896298211192 -0.05844428983892272 0.21259896298211192 1.2192338928792008 -0.06438094766648043 -0.05844428983892272 -0.06438094766648043 1.0006334716799263" pbc="T T T" C -0.14459490 0.11115480 0.11044915 1.48718444 -4.20142229 5.30640116 C 1.58639575 1.31143450 -0.16166483 2.35242831 -1.69589543 -11.05006007 C 1.28829595 -0.16490224 1.64041416 -3.70374640 -3.51204583 8.89145415 C -0.22187219 1.51878885 1.32834452 -0.13586635 9.40936354 -3.14779524