256 Lattice="14.168401883630615 0.0 0.0 0.0 14.168401883630615 0.0 0.0 0.0 14.168401883630615" Properties=species:S:1:pos:R:3:forces:R:3 energy=-952.5624531621767 stress="-0.007294397070658211 -0.00025401769760235077 -0.0004720310302288014 -0.00025401769760235077 -0.007885751038419493 3.221117892741332e-05 -0.0004720310302288014 3.221117892741332e-05 -0.007776876769113866" free_energy=-952.5624531621767 pbc="F F F" Fe 0.02967442 0.00714267 0.00721507 0.97908485 1.06662871 1.02329199 Fe 1.80024212 1.76397826 0.01996346 -0.53905138 -0.37621704 -0.46793980 Fe 1.77050530 0.01346219 1.74612141 -0.24879011 -0.25476041 -0.14904406 Fe 0.02972697 1.76180895 1.78420107 -0.30195776 -0.29811178 -0.41663475 Fe 3.57831719 0.01836977 0.03021272 -0.13457294 0.32755240 0.30437449 Fe 5.30833152 1.76682449 0.00539465 0.16229059 -0.14409809 -0.34734174 Fe 5.29848317 0.03341066 1.76609960 0.21622985 -0.52452099 -0.25674170 Fe 3.56013452 1.79320716 1.73715853 -0.24308098 -0.17765598 0.25960607 Fe 7.09466110 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8.88847937 3.54061251 12.40894261 -0.21948219 0.03410775 0.21554045 Fe 7.07162751 5.32565669 12.41292572 0.15402166 -0.19550143 0.24527227 Fe 10.63614996 3.57116535 10.60130332 -0.07558493 -0.33108256 0.34710090 Fe 12.36299640 5.30020113 10.65493622 0.50323593 0.22314416 0.13199949 Fe 12.37939307 3.56691438 12.40545857 -0.59214296 -0.16498420 -0.54373875 Fe 10.63742216 5.29902183 12.36918301 0.25240385 0.16395107 0.58034348 Fe 0.01325422 7.05805300 10.65569314 -0.19353974 0.20182571 0.17864033 Fe 1.78712974 8.90271108 10.64804691 -0.49913305 -0.25733989 -0.10039275 Fe 1.78378763 7.09568806 12.40785445 -0.40658036 0.03481754 0.19678080 Fe 0.00721036 8.86393052 12.37701106 0.57297043 0.08525211 -0.55798315 Fe 3.52798791 7.11599473 10.61597176 0.19842675 -0.15498118 0.11905627 Fe 5.28131113 8.87172276 10.65470649 0.26245544 -0.31568384 -0.27929929 Fe 5.33003259 7.04881989 12.38351778 -0.26451367 0.14011493 0.27841527 Fe 3.54147880 8.87604063 12.37214091 -0.08479937 -0.24064088 0.71752175 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