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=-3.582586217699627 stress="0.00020540843203941634 -1.044463240838182e-05 1.4383669176535787e-05 -1.044463240838182e-05 0.00011938735673544046 -2.453923858829926e-05 1.4383669176535787e-05 -2.453923858829926e-05 0.0001431245660494063" free_energy=-3.582586217699627 pbc="F F F"
N      20.85281438      20.81458865      20.90488908      -0.05088986       0.04276848       0.05008880 
H      22.54620175      22.89511797      22.82146766      -0.68545860       1.46990184       1.50150936 
N      24.05395302      21.30916330      21.17784822       0.41230049       0.24727836       0.38184253 
C      25.54313966      22.66015074      22.75980354      -1.52935840       0.11952101       0.95741385 
H      20.75969067      24.00385877      20.97550715      -0.01047423      -0.01222577      -0.03604796 
C      22.60338854      25.55213267      22.73384050       0.14263712      -1.06519544       0.65823929 
H      23.88106935      23.69961036      21.03439620      -0.02774494       0.09201794      -0.10448934 
O      25.48096669      25.55653786      22.79998975      -0.21212956      -0.21537094       0.25675637 
C      21.29169807      20.96863002      23.94630638       1.77077004       0.53492512       0.67186126 
O      22.53851086      22.64982991      25.24795387      -0.74817695       1.20567620      -2.89544564 
O      23.82929456      20.78747849      23.89476746      -0.75854023       0.14900598      -0.22966320 
N      25.37993804      22.78095696      25.32464588      -1.07387645       1.00844728      -1.60540921 
C      21.26008946      23.87675974      23.82230465       3.08074063      -1.34894228      -0.36751609 
H      22.54278798      25.34466163      25.06413327       0.01656888       0.21689716       0.31962790 
N      23.77715687      23.74014891      23.93198894      -0.26177703      -2.20115075       0.72006648 
O      25.54199360      25.29546282      25.06204296      -0.06459090      -0.24355420      -0.27883440