4000 Lattice="34.89034517187668 0.0 0.0 0.0 34.89034517187668 0.0 0.0 0.0 34.89034517187668" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12746.407277153558 stress="-0.01314261401377987 0.0015328411354175152 0.0007815363250097593 0.0015328411354175152 -0.01079713911406302 0.0006222819334975548 0.0007815363250097593 0.0006222819334975548 -0.014312236187307141" pbc="F F F" Fe 0.03216424 0.01065396 0.01650118 -0.38489035 -0.27870868 -0.32894741 C 1.74269083 1.73765754 0.02421277 1.50851758 0.96335141 -1.77616373 C 1.71853376 0.02830535 1.76746753 1.81664046 -0.98395382 1.16659771 C 0.01372991 1.77817419 1.69369316 -1.04056544 -0.48471503 1.03253323 C 3.49502255 0.00104415 0.01992344 -0.05612348 -0.70895051 -0.63831269 C 5.25877387 1.73751856 0.00594699 -1.71635960 1.71723598 -0.91133108 C 5.25987564 0.00672677 1.76930067 -1.86559237 -0.45782630 0.93927509 Fe 3.47314414 1.77802988 1.74562633 0.81214070 -2.03906074 -1.31315063 C 6.99569605 0.02760370 0.00745066 -0.03699815 -1.67050479 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26.13523078 31.40885393 0.28393213 0.77376395 1.80725024 C 8.68947778 24.42587305 33.17553396 0.52922050 0.66813450 -0.55742352 C 6.94954151 26.14268830 33.16241932 1.84817861 1.24196914 -0.75995692 Fe 10.48911100 24.40263451 31.42104226 -0.76075579 0.59002928 -0.63850392 C 12.20043858 26.15278129 31.42042007 0.13786588 -0.99086361 -1.66171330 C 12.22238101 24.41488503 33.17261980 0.32721483 -0.69160682 -0.41312522 C 10.45670712 26.14588898 33.15469193 -1.45297378 0.12711970 0.65626251 Fe 13.94615054 24.45652292 31.37009580 -0.47614066 -1.03088862 2.17480988 Fe 15.66790311 26.14074271 31.43186237 1.67339115 1.60335458 -1.91479607 Fe 15.73462683 24.38792425 33.16194808 -0.81616384 0.37075244 -0.75014602 C 13.93897367 26.18341644 33.16634547 2.56635256 -1.96393478 0.56962267 C 17.47246357 24.45399552 31.40500251 -1.80113284 0.16256812 2.73050328 C 19.19002367 26.15386966 31.43647041 1.66204662 2.84728674 -1.35103781 Fe 19.17967091 24.43194392 33.10737040 0.39038788 -0.57090399 1.93943001 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33.12679714 31.40392167 2.40112695 0.86295755 -1.83470088 C 22.68545859 31.43001085 33.17224601 -0.55910129 -0.81584600 -0.88627367 Fe 20.94250855 33.12954685 33.11416137 -0.58703328 0.17538213 0.49903212 Fe 24.40245104 31.37925015 31.38487415 0.22796262 1.69034894 1.52956718 Fe 26.19670142 33.17541949 31.40408507 -1.46448172 -1.06516348 0.02323674 C 26.15373398 31.43481547 33.15562680 1.27365391 -1.52893263 -1.81019439 C 24.41037861 33.12338933 33.16893206 1.18819608 0.64634446 -0.75111747 Fe 27.94481724 31.39125294 31.42267414 -0.79737973 0.45714907 -1.22626305 C 29.66044039 33.17445549 31.38879809 -0.85839219 0.22180819 1.09891443 Fe 29.68453359 31.38405030 33.11495021 -0.17331257 1.19305077 -1.71564640 C 27.89796226 33.13284351 33.11661635 1.15984825 0.13534456 1.30932274 C 31.45106798 31.41180507 31.34070928 -0.91768148 -1.45550775 0.58661219 C 33.12310981 33.11657041 31.35996251 1.79689476 1.47625222 -0.11963326 C 33.16304805 31.35574449 33.13508100 1.59780870 0.06090539 1.61065641 C 31.42441504 33.14795827 33.11598816 -0.89561645 0.66693428 1.64547772