32
Lattice="45.35797258232776 0.0 0.0 0.0 45.35797258232776 0.0 0.0 0.0 45.35797258232776" Properties=species:S:1:pos:R:3:forces:R:3 energy=-25.499812499370158 stress="0.0003525780313773645 -4.624478301742949e-06 3.220828050929401e-05 -4.624478301742949e-06 0.00038015705832674225 1.5032431533842452e-05 3.220828050929401e-05 1.5032431533842452e-05 0.0004428276135425718" free_energy=-25.499812499370158 pbc="F F F"
H       22.83692543      22.61100310      23.09521393      -0.04999010       0.81966857       0.58506043
H       24.42663075      24.61384420      22.57923129      -0.10105149       0.06928683      -0.12861581
H       24.46754874      22.43976254      24.37156068       0.14783490      -0.26162562      -0.22152851
N       22.92072449      24.05790076      24.24878231       0.58117584      -1.08991102       0.97388120
H       25.62630090      22.54311017      22.48484665      -0.00418932      -0.05980533      -0.02460286
N       27.30292703      24.47163004      22.45778347      -2.69778488       2.97159227      -0.47171814
H       27.63014710      22.56030864      24.66630154       0.26926227       0.29370268       0.07470802
O       26.05417694      24.54489699      24.42207186       2.84654658       4.21222649       1.91184137
O       22.67197674      25.95465994      22.71664639       1.53061275       3.76028610       1.20583087
C       24.04926674      27.54455372      22.43801860      -2.44681731      -2.24884723       0.79902261
O       24.35819821      25.94535571      24.53032173       1.70631884       3.73354466       3.10560796
C       22.46871468      27.49201568      24.25350889       1.66168644      -1.73309929      -1.23943338
C       26.11658877      25.70996037      22.53368099       5.37906129      -1.99757964       1.28114062
N       27.45925095      27.34807937      22.50623267      -2.08244183      -1.64868651       0.71404082
O       27.48284452      25.73810769      24.17081720      -3.04450804      -1.10381178      -0.55555052
C       26.04105723      27.62300498      24.45683943      -0.11236994      -1.77209376       3.53723488
N       22.72357764      22.43666092      25.93696411       0.24716440      -0.46686601       1.52750760
N       24.19988893      24.08777297      25.98834011      -1.35649937      -1.45241678      -0.28221694
N       24.14763065      22.46676334      27.31243620      -1.18968278       0.16342418      -2.45394200
H       22.69306914      24.16641518      27.58252242      -0.32644189       0.17174360       0.32221285
N       25.98948473      22.66764003      26.01365189       1.58214684      -0.07682553       1.51899613
O       27.47336827      24.21525005      25.90436775      -0.52228189      -0.32632643       1.91198285
O       27.61322996      22.69251361      27.30778591      -1.82317666       1.57061722      -1.59033497
C       25.81476331      24.44074997      27.69240359       2.74467678       0.80184155      -1.46563722
H       22.63424322      25.66343822      26.08864381      -0.31293014       0.10872215       0.00780573
C       24.25994828      27.47369407      25.75209207       1.07685249      -2.40247255      -3.40159408
H       24.33860247      25.87141521      27.39682180       0.00506981      -0.08442254       0.04663229
O       22.57862558      27.60912614      27.52876923       0.91034918      -0.13874988      -0.99192660
O       25.68033724      25.82603252      25.75328511      -1.41039728       0.77587371      -3.23655659
C       27.41193265      27.42945624      26.25724024      -2.40447265      -4.40126271       2.84258746
C       27.58569233      25.86848270      27.54840907      -3.55453551       2.51191475      -4.21092862
N       25.81218107      27.29594084      27.74682780       2.75081268      -0.69964214      -2.09150744