4
Lattice="9.305250773355016 0.0 0.0 0.0 9.221543885112323 0.0 0.0 0.0 12.405266643017299" Properties=species:S:1:pos:R:3:forces:R:3 energy=-22.6721601502 dipole="-0.03549089603770545 0.03861842001415582 -0.018500897399541128" pbc="F F F"
C       4.80525077       4.70835154       6.85528816      -0.50276691      -0.59239795      -3.87168526 
C       4.64288321       4.50000000       5.63619829       0.01066291       1.28035588      -0.01740793 
H       4.50000000       4.72154389       4.50000000       0.34797652      -0.67243656       2.09114200 
H       4.75856977       4.68180403       7.90526664       0.12144154      -0.02497197       1.79094945 
