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=-3.3612599458711285 stress="-0.5026516092844096 0.10244548920573995 -0.04100523378923498 0.10244548920573995 -0.5149431135505834 -0.07662898457636505 -0.04100523378923498 -0.07662898457636505 0.22070562582930361" free_energy=-3.3612599458711285 pbc="T T F"
C       0.07146234       0.09856702       0.23939028      -0.69200488      -2.29617484       4.21293506 
H       1.44781314       1.44858313       0.22762461      -0.33014948       0.36683868       0.74717970 
O       1.48047546       0.12876381       1.47993658      -1.14459175      -2.28036713      -2.29080906 
N       0.12986364       1.77479266       1.40389038       2.16674611       4.20970330      -2.66930569