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=-5.23056507958094 stress="0.00020706201933237253 -1.3622777387189016e-05 1.0140488741741884e-05 -1.3622777387189016e-05 0.00012842388598560312 -1.8727316248182534e-05 1.0140488741741884e-05 -1.8727316248182534e-05 0.00012701036939314817" free_energy=-5.23056507958094 pbc="F F F"
N       20.85281438      20.81458865      20.90488908      -0.02087382       0.03100345      -0.00828082
H       22.54620175      22.89511797      22.82146766      -0.70452533       1.42951712       1.61678249
N       24.05395302      21.30916330      21.17784822       0.35856059       0.19649068       0.31319207
C       25.54313966      22.66015074      22.75980354      -1.43200988       0.12975845       0.89754706
H       20.75969067      24.00385877      20.97550715      -0.03269061      -0.00830632      -0.04294839
C       22.60338854      25.55213267      22.73384050       0.05764856      -1.03892263       0.66116352
H       23.88106935      23.69961036      21.03439620       0.02487534       0.13978587      -0.09872604
O       25.48096669      25.55653786      22.67061300      -0.27025483      -0.19976535      -0.32585654
C       21.29169807      20.96863002      23.94630638       1.80076920       0.55059231       0.76507510
O       22.53851086      22.64982991      25.24795387      -0.80818517       1.24802811      -2.97403419
O       23.82929456      20.78747849      23.89476746      -0.78178553       0.18640132      -0.29360384
N       25.37993804      22.78095696      25.32464588      -1.13925056       1.03518453      -1.58033481
C       21.26008946      23.87675974      23.82230465       3.03558266      -1.29154081      -0.39492323
H       22.91398387      25.01164603      25.06413327       0.36766207      -0.21245110      -0.02654367
N       23.77715687      23.74014891      23.93198894      -0.39149322      -1.89465372       1.20595855
O       25.54199360      25.29546282      25.06204296      -0.06402948      -0.30112190       0.28553272