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=-5.948102556175128 stress="0.3056380492933198 0.01601598886816025 0.05266519310837837 0.01601598886816025 0.4156608473582278 0.12032929370415643 0.05266519310837837 0.12032929370415643 0.3942132717903318" free_energy=-5.948102556175128 pbc="T T F"
C        0.17918122       0.05957798       0.16192607       8.19595178       1.24900204       5.30696764
C        1.49509235       1.53099333       0.19045800      -6.90798213       1.65646687       4.60341391
O        1.57166715      -0.07411238       1.21223271      -1.80961175      -1.90819617      -8.41698528
H        0.20700586       1.34468262       1.45742157       0.52164210      -0.99727274      -1.49339627