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=-27.221366175039524 stress="-0.11671423551444077 0.03817252920494062 -0.07119887473193581 0.03817252920494062 -0.17832111938845846 -0.04821602170914063 -0.07119887473193581 -0.04821602170914063 -0.14203037138149122" free_energy=-27.221366175039524 pbc="F F F"
H        0.28475322       0.10989136       0.11944817       4.02925432       4.90549602      -0.52074260
N        1.32607419       1.27328590       0.11438203      -7.26678586     -10.03019471       1.38709506
H        1.58419759       0.26767637       1.21243667      -0.51703320       4.15832542      -4.90692363
H        0.12760265       1.64553500       1.64594781       0.31515596       1.96612940      -2.48844560
N        2.95785282       0.10305315       0.27652831      -2.56378288      -1.92395486      -3.10011373
H        4.23012412       1.29215497       0.15055857       7.73267299     -13.22433027       3.32596121
H        4.46820122       0.29332129       1.05888563      -0.11158769       4.53747772      -7.04725793
O        3.22006661       1.50905275       1.32377323      -6.80047156       5.01830304      -4.93513873
C        0.29338723       2.73348799       0.23598149       4.88602957      -1.66685403       8.44295577
N        1.69843311       4.65367552       0.07855587      -2.62189340      -0.19713614       2.04702935
H        1.20693653       2.94598298       1.31428451      -3.30862576      -0.62436140      -3.35776275
C        0.26838441       4.60424443       1.39528353       4.37986242      -1.63334472      -1.20848418
C        3.41542012       2.84500492       0.22491354      -1.92224686       8.38417168       1.71514489
N        4.74471977       4.27542907       0.03607761      -0.21016524       0.42909335      -2.24358121
O        4.23867883       2.95426446       1.58968929       3.25545731       8.26029121      -5.21027118
H        3.21863911       4.29851263       1.73624620       1.64642418      -0.62683630       0.50855416
C        0.16008231       0.17976107       2.77434801       0.23552667      -0.25157244       1.71186006
O        1.60878037       1.77852494       2.98026295     -10.26167065       5.97724077      -6.70229483
N        1.45300620       0.11434322       4.45553303      -3.52593302      -2.52569829       1.41326778
O        0.20457492       1.41186948       4.57435642       2.93618603       1.91745621      -0.39559254
N        3.07026468       0.07529174       2.91339901       3.08065187      -6.83554721       5.47730117
N        4.54781467       1.44893536       3.00992760      10.56199700     -15.69607882       6.53814300
C        4.62001261       0.48456197       4.74413043      -1.81560229      -0.88004302      -0.93440158
N        3.18767146       1.71628421       4.26227175      11.93337642       3.41641192       2.61496018
H        0.13107567       2.77460958       3.20876017      -1.39350644      -2.61233348      -3.27824422
O        1.43759557       4.49350828       3.01200566      -4.74269082       1.98495520       1.42443804
C        1.32347155       3.10162560       4.71736712      -2.17564083       1.27196396       4.58513017
O        0.20270815       4.77898347       4.42478403       4.32423689      -3.26621294      -2.80606822
O        2.87238155       2.90229474       3.19925199     -10.76622782       2.06278992      -0.68192663
C        4.35744396       4.30952440       3.10450860      -3.80810096       3.02829730       3.05394199
O        4.25190098       2.78818294       4.33922355       2.17684420       2.16004650       8.78244147
C        3.09078618       4.75742332       4.35528985       2.31828948       2.51604899      -3.21097476