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=-4.5667079984 stress="2.118581004467887 1.1311540156963853 -0.41534390171149216 1.1311540156963853 0.6961504356687467 0.4597170142833243 -0.41534390171149216 0.4597170142833243 0.36427667623730803" pbc="F F F"
C       0.48566920       0.08343331      -0.14204597       4.42968717       3.89977657       0.97773699 
C       1.44809454       1.54797433       0.23171545      -8.07054681      -3.57347538       0.51671818 
C       1.59751396      -0.04154888       1.61699286      -0.37115974      -1.38256947       0.42409140 
C      -0.07514625       1.62990665       1.28220450       4.01201938       1.05626828      -1.91854657