32
Lattice="45.358015907140974 0.0 0.0 0.0 45.358015907140974 0.0 0.0 0.0 45.358015907140974" Properties=species:S:1:pos:R:3:forces:R:3 energy=-23.303771160245407 stress="0.00035978635479519893 -4.426551792807398e-06 3.137542687220189e-05 -4.426551792807398e-06 0.0003766513958230992 1.3838288856087946e-05 3.137542687220189e-05 1.3838288856087946e-05 0.0004448335646622628" free_energy=-23.303771160245407 pbc="F F F"
H      22.83694709      22.61102476      23.09523559      -0.03854392       0.83508407       0.62550376 
H      24.42665392      24.61386738      22.57925295      -0.04809189      -0.08285907      -0.23187254 
H      24.46757191      22.43978420      24.37158385       0.10908716      -0.22792703      -0.09223759 
N      22.92074615      24.05792393      24.24880548       0.58897710      -1.05869148       0.83686830 
H      25.62632558      22.54313183      22.48486831      -0.01846673      -0.06982402      -0.03158691 
N      27.30295323      24.47165322      22.45780513      -2.88551434       3.03494957      -0.37400597 
H      27.63017330      22.56033030      24.66632471       0.19417044       0.16739478      -0.02518923 
O      26.05420163      24.54492016      24.42209503       2.89977891       4.36021650       2.06777909 
O      22.67199840      25.95468463      22.71666806       1.49520403       3.83072501       1.23759865 
C      24.04928991      27.54457992      22.43804026      -2.41688267      -2.23477270       0.75854652 
O      24.35822139      25.94538040      24.53034491       1.84592321       3.73451529       3.08685037 
C      22.46873635      27.49204188      24.25353207       1.62880612      -1.72979256      -1.21038986 
C      26.11661346      25.70998506      22.53370266       5.59592597      -2.08748588       1.13342770 
N      27.45927716      27.34810558      22.50625433      -2.26364144      -1.65576633       0.82741595 
O      27.48287072      25.73813237      24.17084038      -3.07662500      -1.18172911      -0.49095019 
C      26.04108192      27.62303118      24.45686261      -0.06572713      -1.70047538       3.49374173 
N      22.72359930      22.43668258      25.93698880       0.20854013      -0.49525749       1.52439483 
N      24.19991211      24.08779615      25.98836480      -1.32245476      -1.31400500      -0.22412869 
N      24.14765383      22.46678500      27.31246240      -1.18499215       0.17055841      -2.37473567 
H      22.69309080      24.16643836      27.58254862      -0.28683680       0.11253545       0.25470193 
N      25.98950942      22.66766170      26.01367658       1.69933630      -0.08801593       1.41934644 
O      27.47339447      24.21527322      25.90439244      -0.52603681      -0.25850079       1.91042550 
O      27.61325616      22.69253527      27.30781211      -1.79052358       1.60798186      -1.59535700 
C      25.81478800      24.44077315      27.69242979       2.60564345       0.73978988      -1.50859738 
H      22.63426488      25.66346291      26.08866850      -0.31917194      -0.00651156       0.06686431 
C      24.25997145      27.47372027      25.75211676       1.09276721      -2.39805404      -3.31543813 
H      24.33862564      25.87143990      27.39684800      -0.02787858      -0.14185787       0.09990240 
O      22.57864724      27.60915234      27.52879543       0.84402431      -0.00811433      -0.95048163 
O      25.68036193      25.82605721      25.75330980      -1.33413098       0.71276358      -3.41961495 
C      27.41195885      27.42948244      26.25726493      -2.44015183      -4.34672749       2.91012380 
C      27.58571853      25.86850739      27.54843527      -3.60022201       2.58446723      -4.14070721 
N      25.81220576      27.29596704      27.74685401       2.83770822      -0.80461357      -2.26819834