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=22.61769038976434 stress="-0.0004980898277828048 5.213246359771866e-05 -9.9851757236364e-05 5.213246359771866e-05 -0.0004178395862923271 -5.502097533586866e-05 -9.9851757236364e-05 -5.502097533586866e-05 -0.00043129522212613237" free_energy=22.61769038976434 pbc="F F F" N 20.94809454 21.32264612 21.23171545 -1.38729699 0.50602868 -1.51620754 N 22.68190327 22.32183498 22.71219253 -1.48840277 -4.16889490 0.33041725 N 23.80278740 21.12990665 20.78220450 0.28360220 -1.91293715 -0.97442277 N 25.78278197 22.56210000 22.63362859 3.96232178 1.20736282 1.49585404 N 20.82702941 24.07034430 21.04852473 -3.53036689 0.96812069 -1.97143054 N 22.55473499 25.41561068 22.63661615 -0.43455632 1.30740827 0.18020175 N 23.90480033 23.87719504 20.79869006 2.39621340 2.08104404 -2.62915886 N 25.61041876 24.98639997 22.33533445 0.21660934 -1.35567557 -1.55877003 N 20.74231237 21.08611608 24.03369179 -0.68812044 -3.16305930 1.43513985 N 22.77223033 22.36632051 25.46375436 -0.19851361 1.53887985 2.10776211 N 23.90583543 20.75559716 23.70178472 -0.28837184 -2.75553555 -2.10728336 N 25.79874826 22.27290972 25.38090187 3.52149701 -1.09000764 1.34729471 N 20.86136659 24.05835534 23.74645637 -0.86807130 3.06307328 -0.60263567 N 22.33692324 25.42001865 25.70070203 0.11912673 1.20915613 1.58551579 N 23.70342959 23.90085166 23.99793547 -1.56550455 1.27958909 1.50543109 N 25.78187239 25.51001192 25.48453339 -0.05016574 1.28544725 1.37229218