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=-36.53127490906059 stress="0.00041110854462236206 8.733472943369936e-05 0.00014062901952737223 8.733472943369936e-05 0.00032563982586879264 5.6216787225845924e-05 0.00014062901952737223 5.6216787225845924e-05 0.00030255566724049016" free_energy=-36.53127490906059 pbc="F F F" B 20.85540510 21.11115480 21.11044915 2.78020377 3.07919945 2.39116032 B 22.70960170 22.31143450 22.33833517 -4.52687137 -5.30537585 -3.23241743 B 23.78829595 20.83509776 21.14041416 -1.35608308 1.33582827 0.46558679 B 25.13011487 22.49446427 22.39164379 1.12166178 0.28936705 -0.27947619 B 20.87679405 23.95894820 21.20259391 2.09670591 -1.17967808 1.95915141 B 22.56504129 25.20865944 22.36550211 -1.06795482 -1.04625089 -0.64065896 B 23.78802619 24.16022526 21.18035805 1.21308829 0.59575596 -0.06734224 B 25.68362810 25.69581920 22.64685009 -1.89577249 -1.69569107 1.39966870 B 21.26959405 21.17626233 23.85402479 1.77061099 2.07113240 -0.99668637 B 22.55123160 22.33347829 25.65300231 -0.17653480 0.05494819 -2.67507214 B 23.85516453 20.95774659 23.91852158 0.84411411 1.69372705 2.67396145 B 25.45789336 22.30812077 25.27041603 -3.07193186 0.09425468 -2.08747766 B 21.19178619 23.92292065 24.29140871 1.61115409 0.02254880 1.31689180 B 22.61455359 25.53253581 25.64904689 1.38398274 -1.82152320 -1.29366228 B 23.78091226 24.10609294 23.96603997 2.67319530 3.19085823 4.24953938 B 25.30598025 25.32157598 25.51361598 -3.39956857 -1.37910098 -3.18316659