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=-4.123891454662202 stress="-0.03648194807915269 -0.02623953971176857 0.1727755248332978 -0.02623953971176857 -0.1413277743054126 -0.04606542677881227 0.1727755248332978 -0.04606542677881227 0.16200057632762416" free_energy=-4.123891454662202 pbc="T T T"
C       -0.03149010      -0.04716377      -0.21646835       8.86510799      -4.02719986       1.26483432
O        1.20072959       1.51229390      -0.15371586      -4.96970925      -2.91673241      -0.50641892
C        1.29061752       0.24339277       1.21156333      -4.93546653       4.43679205      -4.99007457
H        0.06265016       1.65093924       1.64803915       1.04006779       2.50714023       4.23165916