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=40.87669231350537 stress="-0.0009380035821285724 -4.011773755195489e-05 -5.069016692800004e-05 -4.011773755195489e-05 -0.0008512594120720097 -7.56748582792333e-05 -5.069016692800004e-05 -7.56748582792333e-05 -0.0009006155734577815" free_energy=40.87669231350537 pbc="F F F" Na 20.85540510 21.11115480 21.11044915 -2.71510198 -1.98059907 -2.29175876 Na 22.70960170 22.16342156 22.33833517 -1.57413132 0.18820250 -0.91686383 Na 23.78829595 20.83509776 21.14041416 1.67402048 -3.85251818 -3.98147435 Na 25.27812781 22.49446427 22.32834452 5.23220858 -0.37937015 -1.51863909 Na 20.87679405 23.95894820 21.20259391 -3.37846384 0.98186975 -2.44315548 Na 22.56504129 25.20865944 22.42880138 -2.11751373 5.56293632 -0.75661531 Na 23.78802619 24.22277084 21.18584377 2.10277813 0.94693673 -5.58289001 Na 25.68362810 25.69581920 22.64685009 2.56163749 2.23592303 -0.97567141 Na 21.26959405 21.17626233 23.85402479 -3.62904619 -2.82535110 1.95987421 Na 22.70996341 22.49207130 25.65300231 -1.17258099 -1.41451055 4.62572457 Na 24.03848316 20.95774659 23.91852158 1.41308585 -4.93710463 1.73355585 Na 25.45789336 22.38825682 25.27041603 3.49988574 -0.89703328 2.66461924 Na 21.19178619 24.17895518 24.29140871 -4.99722330 0.59785741 1.01468197 Na 22.61455359 25.53253581 25.64904689 -1.11883015 3.27153984 3.16820603 Na 23.78091226 24.10609294 23.96603997 1.66326625 0.62607520 0.98182247 Na 25.30598025 25.32157598 25.51361598 2.55600899 1.87514619 2.31858390