16
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.0877974807676067 stress="8.639219312835316e-05 9.410095903501792e-07 2.523220130036408e-05 9.410095903501792e-07 0.00014038468583847874 -4.233418852584735e-05 2.523220130036408e-05 -4.233418852584735e-05 6.507978830428625e-05" free_energy=-3.0877974807676067 pbc="F F F"
C      20.78997399      20.92894569      20.89496842       0.05185064       0.30502517       0.04955333 
H      22.46247704      23.00458118      22.16821141      -0.71624908       0.17350378      -0.38205823 
N      23.87107487      21.19784412      20.87212138       0.23431582       0.37966679       0.10716913 
O      25.49214527      22.50795817      22.26680101      -1.38104919       1.02166289      -1.42498210 
O      20.98845449      23.73108817      20.97631855       0.55769412      -0.63370375       0.43292296 
H      22.57588112      25.60710183      22.21669357      -0.03495908       0.07267208       0.01723513 
C      24.16523617      23.88290997      20.87846166       1.27354118      -1.43094487       1.08541030 
H      25.27146897      25.58068137      22.53857777       0.05257031       0.07148146       0.03015305 
N      20.95061547      20.86975542      24.14592855       0.64152792       0.50353381       0.26337920 
C      22.32706660      22.70359985      25.25068542       1.18646785       0.59315451      -1.51558986 
N      23.72822113      20.77163296      24.15154029      -0.49863736       0.25034001       0.19066048 
C      25.28973682      22.79811016      25.57473240      -0.22792693       1.72935713      -0.59511237 
H      21.03420846      23.95517109      23.83317489      -0.16611595       0.05409069      -0.13438198 
O      22.17369573      25.56216683      25.31954805       0.08287674      -0.25126452      -0.00146715 
N      23.78209294      23.98656723      23.98688953      -0.86666296      -1.53288917       1.85225217 
O      25.70470050      25.27493780      25.56636242      -0.18924403      -1.30568600       0.02485593