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=101.48756936962235 stress="-19.61371147952749 18.36534569316488 -0.641647841765886 18.36534569316488 6.922254457690281 -9.61401391429037 -0.641647841765886 -9.61401391429037 -29.11688844870355" free_energy=101.48756936962235 pbc="F T F"
C       0.13661615       2.76616693       0.16877411    -387.54731036     -79.15266138    -236.39686866 
C       1.26735611       1.33533445       0.08611608     331.34351810     -71.92748803    -435.59058055 
C       1.28014816       0.02598936       1.22329650     148.55764055    -447.34876233     408.51178053 
C       0.29874826       1.27290972       1.38090187     -92.35384828     598.42891174     263.47566869