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=13.562119158072097 stress="-1.4992679427500941 0.266049475910181 -0.6932879953713361 0.266049475910181 -0.18371533779051344 -0.5992170437428609 -0.6932879953713361 -0.5992170437428609 -2.4661079444094733" free_energy=13.562119158072097 pbc="T F T"
C       2.94871555       0.23811607       0.13390390      -7.31667083      -1.02251028       1.67866254 
C       1.28907838       1.29312023       0.19449984     -10.90595705       4.31717226      14.73979138 
F       1.78380155       0.29600682       1.20116975      14.48328674      -3.97718158     -18.22519652 
H       0.37913408       1.16984308       1.66838664       3.73934114       0.68251959       1.80674260