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=-1.7320023909096223 stress="-0.2748895974740082 0.04041842475052613 -0.18953500394941258 0.04041842475052613 -0.7071440625442343 -0.059193654449733075 -0.18953500394941258 -0.059193654449733075 -0.8378313227033406" free_energy=-1.7320023909096223 pbc="T T T"
N       2.71221026       0.16227498       0.27526149      -1.59116805      -0.51140627       1.41490787 
C       1.53605731       1.56337422       0.24684207       1.60851711      -5.55555375       5.91502635 
O       1.91324272       0.23886447       1.59730317      -3.96271281       2.63892719      -2.47687526 
H       0.45958839       1.27665686       1.39806491       3.94536375       3.42803282      -4.85305896