16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-43.043872981 stress="0.1834085474445053 -0.02039743683343905 -0.001743938113312071 -0.02039743683343905 0.17029266321928282 -0.033008608827317085 -0.001743938113312071 -0.033008608827317085 0.2142195910813131" pbc="F F F" Fe -0.08950840 -0.27713580 -0.06141927 1.07077577 1.12456630 0.65482739 Fe 1.25205420 1.90715531 1.52420538 2.44714183 -2.51449435 -0.72241441 Fe 2.70245745 0.16431082 -0.18574270 -0.48831048 1.57568187 1.50491221 Fe 4.48844065 1.53277713 1.39971974 -2.26966080 0.62286698 0.82205983 Fe -0.12633864 2.96097674 -0.21780693 1.46594873 -0.42055692 1.65943479 Fe 1.76210393 4.26716069 1.76646378 0.23548748 -0.19979063 -0.49039862 Fe 3.03475834 2.88201197 -0.06699407 -0.79087677 -0.89744094 2.00774314 Fe 4.22002482 4.27696427 1.41661558 -0.59932964 -1.39734929 0.75565045 Fe -0.03487808 0.22586561 3.29391194 -2.33339049 -2.78594817 -4.11139554 Fe 1.22614529 1.52103145 4.27761356 4.64205297 5.07181285 1.79107482 Fe 3.18220204 -0.10637159 3.23573857 -1.21845964 1.97286731 -1.15262753 Fe 4.52724172 1.27538150 4.44150928 -0.74796512 0.59718556 -0.96840320 Fe -0.15112699 3.22083292 2.55907146 -0.28511797 0.22835183 1.64130387 Fe 1.26965126 4.42299150 4.40698366 0.67404484 -1.64638266 -1.68110629 Fe 3.18107110 2.84856357 3.13102478 -0.94424321 -0.26560851 -0.81746196 Fe 4.59995250 4.76120756 4.51193751 -0.85809751 -1.06576123 -0.89319894