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=-43.04387298104605 stress="0.0002804871480576766 -3.119385091269734e-05 -2.6670088968459696e-06 -3.119385091269734e-05 0.0002604289936704049 -5.048014762849365e-05 -2.6670088968459696e-06 -5.048014762849365e-05 0.0003276065537712198" free_energy=-43.04387298104605 pbc="F F F" Fe 20.91049160 20.72286420 20.93858073 1.07077577 1.12456630 0.65482739 Fe 22.25205420 22.90715531 22.52420538 2.44714183 -2.51449435 -0.72241441 Fe 23.70245745 21.16431082 20.81425730 -0.48831048 1.57568187 1.50491221 Fe 25.48844065 22.53277713 22.39971974 -2.26966080 0.62286698 0.82205983 Fe 20.87366136 23.96097674 20.78219307 1.46594873 -0.42055692 1.65943479 Fe 22.76210393 25.26716069 22.76646378 0.23548748 -0.19979063 -0.49039862 Fe 24.03475834 23.88201197 20.93300593 -0.79087677 -0.89744094 2.00774314 Fe 25.22002482 25.27696427 22.41661558 -0.59932964 -1.39734929 0.75565045 Fe 20.96512192 21.22586561 24.29391194 -2.33339049 -2.78594817 -4.11139554 Fe 22.22614529 22.52103145 25.27761356 4.64205297 5.07181285 1.79107482 Fe 24.18220204 20.89362841 24.23573857 -1.21845964 1.97286731 -1.15262753 Fe 25.52724172 22.27538150 25.44150928 -0.74796512 0.59718556 -0.96840320 Fe 20.84887301 24.22083292 23.55907146 -0.28511797 0.22835183 1.64130387 Fe 22.26965126 25.42299150 25.40698366 0.67404484 -1.64638266 -1.68110629 Fe 24.18107110 23.84856357 24.13102478 -0.94424321 -0.26560851 -0.81746196 Fe 25.59995250 25.76120756 25.51193751 -0.85809751 -1.06576123 -0.89319894