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=-5.620158047452023 stress="-0.2333072546146097 -0.002780870558439117 0.0473195862826305 -0.002780870558439117 -0.16436046450597722 -0.03735186106626029 0.0473195862826305 -0.03735186106626029 -0.1810652333016112" pbc="F F T"
C       0.16513684       0.24624097       0.17580115      -0.80100370      -2.27982843      -3.49728480 
C       1.35498893       1.61042859       0.20947124       4.32788979       1.15622779      -3.67290561 
C       1.35512851       0.27094606       1.41333883       0.92781395      -1.07406853       2.63786509 
C       0.15488783       1.55988540       1.20245745      -4.45470004       2.19766917       4.53232532