4000 Lattice="36.64539173516619 0.0 0.0 0.0 36.64539173516619 0.0 0.0 0.0 36.64539173516619" Properties=species:S:1:pos:R:3:forces:R:3 energy=-16175.282619309246 stress="2.8154161851574884 6.34747506881601 -3.0259646317789475 6.34747506881601 -1.3742176305388512 3.383968424105092 -3.0259646317789475 3.383968424105092 3.847617869798711" pbc="F F F" Fe 0.02448151 0.00028912 0.03111735 0.27685455 0.31724247 0.25864661 Fe 1.79576670 1.84842087 0.00135663 0.21256746 -0.18175725 0.08154410 Fe 1.84093825 -0.00463080 1.79979335 -0.12888927 0.20306828 0.14522286 Fe 0.04952094 1.84353330 1.80107142 -0.08061977 -0.20321933 0.21628768 Fe 3.68736945 0.03533446 -0.02435928 -0.16878410 0.23030067 0.37564918 Fe 5.47309047 1.80965331 -0.01448427 0.18034993 0.10659684 0.21072728 Fe 5.50328566 0.03657996 1.85540496 0.25222591 -0.10895319 -0.39921965 Fe 3.69171765 1.79981260 1.85184242 -0.45499759 0.20205390 -0.53548298 Fe 7.35729484 0.02807493 0.01425942 -0.10482421 0.33164244 0.24452466 Fe 9.21689226 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32.98312823 33.00855247 32.97407927 0.03271830 -0.11863521 0.37778394 Fe 34.79342773 34.79020325 32.99448800 -0.35890385 -0.29737225 0.07732078 Fe 34.83592039 33.03842609 34.84847987 -0.64401012 -0.07618069 -0.46589378 Fe 32.95488215 34.83821966 34.83814677 0.25968319 -0.42816750 -0.43941083