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=-5.4618302704603545 stress="0.00013285457663304425 -4.387492171469248e-06 2.451136942003448e-05 -4.387492171469248e-06 0.000131382830364612 4.429548867912494e-05 2.451136942003448e-05 4.429548867912494e-05 0.0001588554485124313" free_energy=-5.4618302704603545 pbc="F F F" N 20.77942751 21.15077664 21.09713756 1.08628931 0.95027169 0.80885238 N 22.28219307 22.48243153 22.26716069 -2.22885492 0.05385761 -1.61817858 N 24.19410236 20.83096497 20.88201197 0.81007424 0.86066181 0.90611059 N 25.43300593 22.22002482 22.40664645 -1.65673935 -0.67551800 0.04245295 N 20.91661558 23.96512192 21.22586561 0.88260938 -1.04845061 0.81122577 N 22.79391194 25.44595057 22.52103145 0.63258993 -1.37322296 -1.18245003 N 23.77761356 24.18220204 20.89362841 -0.85354865 1.21190527 1.39984373 N 25.69034800 25.60052108 22.47527873 -0.19169389 -0.13869851 0.35224401 N 20.70296332 20.84887301 24.22083292 0.43534423 0.44417601 0.39647865 N 22.28984966 22.48735431 25.42299150 -0.46420248 -0.30309897 -1.30878235 N 23.90698366 21.18107110 23.95786521 0.07658728 0.46183925 0.04371883 N 25.50528338 22.75715656 25.52685602 -0.60255956 0.45146741 -0.75410659 N 21.01193751 24.13734349 23.96431997 0.99096592 -0.14431517 0.35969578 N 22.54396501 25.55509833 25.70379337 -0.08369945 -0.16092428 -0.23272694 N 24.23854596 23.76922180 23.78229695 1.36049167 -0.30862291 0.40141785 N 25.38096702 25.65756468 25.22236070 -0.19365367 -0.28132766 -0.42579607