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=-5.9927775443108136 stress="0.025130293094343642 0.10640094412044471 0.0645271686275755 0.10640094412044471 -0.035814719100185806 -0.26541841387794907 0.0645271686275755 -0.26541841387794907 -0.34647189969747194" free_energy=-5.9927775443108136 pbc="T F F"
C       2.78561866       0.07730756       0.08177926       0.42155493       1.46593328      -1.60368003 
C       1.37616772       1.28391760       0.01400128       0.79434050      -6.21468915      -4.77969913 
H       1.67230680       0.09736263       1.54311643       1.26295876      -0.70165444      -1.95490011 
F       2.51060646       1.63311255       1.50743936      -2.47885419       5.45041031       8.33827927