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=3.034808667861845 stress="-0.6016707018611106 -0.6047457534137185 -0.12374128693006793 -0.6047457534137185 -0.08420083917406739 -0.11013039086066992 -0.12374128693006793 -0.11013039086066992 -0.6625479194244295" free_energy=3.034808667861845 pbc="F F T"
F       0.21468373       0.22428872       0.05719733     -19.62232714      -9.14006298      -2.68891835 
C       1.77027626       1.29328005       0.09115566       6.23153838       5.84959699       2.13967412 
C       1.24458927       0.33465829       1.59566009       5.74947446       7.34305022      -0.03454109 
H       0.29712509       1.40629866       1.06113258       7.64131431      -4.05258423       0.58378533