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=-4.318579497960253 stress="0.10153280413464513 -0.11512058163329687 0.14644632520079515 -0.11512058163329687 0.1099124924235755 0.0038225576754587604 0.14644632520079515 0.0038225576754587604 0.3015304389728343" free_energy=-4.318579497960253 pbc="T F T"
C        0.02184289       0.15019543       0.13350600       0.30092897       1.13651496       3.43670903
C        1.64618898       1.73454065       0.03480345       6.39199773      -2.46339651       2.24190845
H        1.32900318       0.40222181       1.22557373      -2.25180066       0.82645142      -3.82622911
O       -0.09022051       1.60283645       1.47537525      -4.44112604       0.50043013      -1.85238836