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=-4.55810871852538 stress="0.2695468329277177 -0.10836878511530826 0.053768627755481684 -0.10836878511530826 0.2839823477565724 -0.1184138757434859 0.053768627755481684 -0.1184138757434859 0.15603923865253164" free_energy=-4.55810871852538 pbc="T F F"
H        0.03314083       0.22428872       0.10404311      -2.29817039       2.18075037      -0.96452498
O        1.77027626       1.29328005       0.04430989       3.17571812      -3.93813756       3.69201818
C        1.24458927       0.04990507       1.61224544      -0.49772929       3.68200362      -1.97920686
N       -0.12888246       1.68723373       1.45042521      -0.37981844      -1.92461644      -0.74828634