2048 Lattice="27.90039305459826 0.0 0.0 0.0 27.90039305459826 0.0 0.0 0.0 27.90039305459826" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6490.089947186838 stress="-0.013490891447272047 -0.000132941180687356 -0.0005404803680975076 -0.000132941180687356 -0.021108106784812872 0.00016647565593709768 -0.0005404803680975076 0.00016647565593709768 -0.015131610263895166" pbc="F F F" Fe 0.00130459 0.03278613 0.02263396 0.56372445 -0.66476349 -0.06108238 C 1.71638314 1.75880142 0.00892359 3.10635679 -0.31788156 0.17910617 Fe 1.76817491 0.01280200 1.74791164 -0.07671135 0.78056086 0.35844795 C 0.02420625 1.73309430 1.72642475 -0.64238482 1.36923777 1.05478198 Fe 3.49343956 0.00508489 0.03344250 -1.10665096 0.30409993 -0.08067695 C 5.20505531 1.71987917 0.00826425 -0.76691863 1.72996652 -0.86283101 Fe 5.22580235 0.03075662 1.71773434 -0.08990820 -0.61860502 1.11802466 Fe 3.50401392 1.76502169 1.73365895 -1.49155649 -0.83127242 0.90564878 Fe 6.95270440 0.01797642 0.04541835 0.72532916 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24.39500133 26.10303896 -0.51910870 0.62121454 0.81824846 Fe 0.01281289 26.12634623 26.16868978 0.41200497 -0.64386496 -0.10764562 C 3.46898839 24.39090532 24.39244848 2.44413023 0.68895195 -0.34942622 Fe 5.21015906 26.11726130 24.43461829 1.91883481 -0.41367552 -0.49728290 Fe 5.20274269 24.39724730 26.13650790 1.97115102 0.46904851 -1.40607475 C 3.52290188 26.17315877 26.17679200 -0.31057561 0.09409905 1.27514136 C 6.99861185 24.42199733 24.38478392 -1.25288777 -0.63065960 0.31153871 Fe 8.74574481 26.13916662 24.40048705 -0.70088339 -0.22750741 0.23704662 C 8.68451445 24.42023204 26.14981067 1.15441465 -1.48305233 0.38923403 C 6.99767658 26.13947344 26.16978240 -1.28663341 0.52181468 -0.45381067 C 10.48973919 24.43710917 24.38747420 -0.59057177 -2.67301273 0.81164750 C 12.22421936 26.14561080 24.35933243 -0.77927096 0.99728162 0.48578552 Fe 12.19084824 24.38037169 26.14628063 0.58747165 1.41313050 -0.70067722 C 10.46731060 26.14044022 26.17470255 -0.03991209 0.79708968 0.73331684 C 13.93176220 24.42149413 24.43038205 0.77105692 -1.47262054 0.93561259 C 15.71380721 26.17991842 24.38939871 -0.12037707 0.67390077 0.56817072 Fe 15.68407671 24.44483929 26.17518922 1.03338896 -1.66406699 -2.37838739 C 13.95882475 26.14912100 26.17629392 -0.96683280 0.13117349 1.56474611 C 17.41916579 24.40315137 24.37680252 0.64360466 -0.27127156 1.22606495 C 19.16119152 26.17649602 24.40039134 1.37972343 -0.11001610 1.22591626 Fe 19.18858215 24.38880313 26.13514562 -1.74321946 1.71478376 -1.00467803 C 17.40320389 26.18263346 26.17664355 0.93009994 -0.32805826 1.53950196 C 20.94690090 24.38802340 24.46415109 -1.39241565 1.61126170 -0.89729652 Fe 22.64846691 26.15695558 24.43877142 0.78702501 -0.80074118 -1.73993119 Fe 22.65254861 24.43959980 26.12279781 1.41980762 -1.48332962 0.85284026 Fe 20.95220672 26.17559139 26.17094344 -1.08591272 -0.82005628 -1.08451462 Fe 24.40267690 24.39026756 24.41058466 0.56011445 1.36137327 -0.87475953 C 26.17220301 26.12553717 24.39442314 -0.53862838 0.74833654 1.10160992 C 26.16954151 24.40897030 26.14650312 -0.26743436 1.02065031 0.78032193 Fe 24.41438424 26.16837617 26.18929551 0.78711901 -0.71199758 -1.01163688