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=-6.2839199915308415 stress="0.07908592868511354 0.1878039166081186 -0.06096833742148945 0.1878039166081186 0.12128814246674546 -0.018277246627943517 -0.06096833742148945 -0.018277246627943517 0.3668676822172457" free_energy=-6.2839199915308415 pbc="T T F"
C       0.12593290       2.84000708       0.23212867      -2.62920973       3.10411747       7.25278127 
H       1.25294705       1.26067717       0.42210752       1.62672214      -2.48118520       0.98278427 
C       1.69104769       2.96850990       1.45283623       1.49754746       6.91171745      -8.40553556 
O       2.78353165       1.20072959       1.22385723      -0.49505987      -7.53464972       0.16997002