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=-5.5389020903814385 stress="-0.23448480836917576 0.023804329116909557 -0.05053054175511754 0.023804329116909557 -0.17439934498144727 0.1489996372697068 -0.05053054175511754 0.1489996372697068 -0.008833960396919263" free_energy=-5.5389020903814385 pbc="T T F"
O        0.16685013      -0.06461286       0.16288981       4.61493312      -0.57159125      -3.69860115
C        1.20389870       1.65854856       0.12784281      -5.24092757       4.05003178       3.94242866
H        1.68363428      -0.18877266       1.21221026      -0.99136518      -2.76498538      -2.19703498
N        0.16227498       1.55191835       1.53605731       1.61735964      -0.71345515       1.95320747