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=-4.401238247093221 stress="0.2727753248823977 -0.1736384700982227 -0.04359648341458093 -0.1736384700982227 0.522293208639486 0.13779569710465023 -0.04359648341458093 0.13779569710465023 0.27203019325951466" free_energy=-4.401238247093221 pbc="F T F"
H       0.03922890       2.87689326       0.11719846       1.70381300       0.54253646       2.38667372 
C       1.77680686       1.59967038       0.06224969      -1.87493810       1.78597945       3.32065612 
O       1.34915582       2.98058377       1.26986142      -3.38843635       1.48080198      -3.33766269 
C       0.13236414       1.23944939       1.51619234       3.55956146      -3.80931789      -2.36966715