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=30.158913377027567 stress="-2.593066549898901 -0.5746664315641998 0.04665122383207375 -0.5746664315641998 -4.676050004140691 0.16883908801254446 0.04665122383207375 0.16883908801254446 -2.5406369708229937" free_energy=30.158913377027567 pbc="T T T"
C       2.84472026       2.96070040       2.99928290      -6.77408201      -7.37596438       2.96239505 
H       1.78009518       1.22557373       2.64395035       1.73123526      -9.61798244      -2.26095833 
C       1.64408857       2.97537525       1.70902946      22.01110317      -0.78559015       9.29797389 
F       2.79590009       1.66265408       1.45874788     -16.96825643      17.77953698      -9.99941060