32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-23.646880581340707 stress="-0.11616465131892266 0.03907628806795653 -0.07079233225227136 0.03907628806795653 -0.18171092519311735 -0.04836195586182389 -0.07079233225227136 -0.04836195586182389 -0.1418558898325862" free_energy=-23.646880581340707 pbc="F F F"
H       0.28475322       0.10989136       0.11944817       4.06599078       4.92716113      -0.52884460 
N       1.32607419       1.27328590       0.11438203      -7.41200691      -9.91044347       1.61440852 
H       1.58419759       0.26767637       1.21243667      -0.43584331       4.15833282      -5.21674260 
H       0.12760265       1.64553500       1.64594781       0.21222320       1.97590355      -2.49666019 
N       2.95785282       0.10305315       0.27652831      -2.46503522      -1.82225307      -2.88685341 
H       4.23012412       1.29215497       0.15055857       7.84770053     -13.33997377       3.15654388 
H       4.46820122       0.29332129       1.05888563      -0.12915530       4.43230558      -7.06264629 
O       3.22006661       1.50905275       1.32377323      -6.95332175       5.16351131      -4.61783805 
C       0.29338723       2.73348799       0.23598149       5.09294772      -1.80999981       8.29878200 
N       1.69843311       4.65367552       0.07855587      -2.77955465      -0.29035049       2.19886033 
H       1.20693653       2.94598298       1.31428451      -3.47473877      -0.59924177      -3.40276178 
C       0.26838441       4.60424443       1.39528353       4.48852168      -1.60709821      -1.27663530 
C       3.41542012       2.84500492       0.22491354      -1.94627394       8.55137870       1.43500601 
N       4.74471977       4.27542907       0.03607761      -0.25465448       0.32617553      -2.15260124 
O       4.23867883       2.95426446       1.58968929       3.18430821       8.05249417      -5.02550461 
H       3.21863911       4.29851263       1.73624620       1.63708080      -0.40156630       0.35178082 
C       0.16008231       0.17976107       2.77434801       0.30509119      -0.25294453       1.81325360 
O       1.60878037       1.77852494       2.98026295      -9.94424660       5.97544153      -6.62065111 
N       1.45300620       0.11434322       4.45553303      -3.62142406      -2.58464969       1.38176390 
O       0.20457492       1.41186948       4.57435642       2.91593278       1.84368832      -0.33519491 
N       3.07026468       0.07529174       2.91339901       3.04295387      -6.87814045       5.36725909 
N       4.54781467       1.44893536       3.00992760      10.80403337     -15.82928980       6.54927281 
C       4.62001261       0.48456197       4.74413043      -2.03229220      -0.79122621      -1.14908625 
N       3.18767146       1.71628421       4.26227175      11.92729654       3.32867835       2.95655922 
H       0.13107567       2.77460958       3.20876017      -1.55653120      -2.59207001      -3.47943966 
O       1.43759557       4.49350828       3.01200566      -4.76977233       2.03560979       1.58015428 
C       1.32347155       3.10162560       4.71736712      -2.12617039       1.20160720       4.68110999 
O       0.20270815       4.77898347       4.42478403       4.35702407      -3.19555707      -2.84834931 
O       2.87238155       2.90229474       3.19925199     -10.75732510       1.96506448      -0.75777849 
C       4.35744396       4.30952440       3.10450860      -3.77459075       3.15538121       2.96637460 
O       4.25190098       2.78818294       4.33922355       2.21221703       2.23321826       8.69790421 
C       3.09078618       4.75742332       4.35528985       2.33961520       2.57885273      -3.19144548