32 Lattice="43.704240477159146 0.0 0.0 0.0 43.704240477159146 0.0 0.0 0.0 43.704240477159146" Properties=species:S:1:pos:R:3:forces:R:3 energy=-98.64965426407097 stress="0.0008521288343366063 -0.00014482564568844359 -7.72344348565572e-05 -0.00014482564568844359 0.00048708763529446583 -0.00026324005464952246 -7.72344348565572e-05 -0.00026324005464952246 0.0005897305775960228" free_energy=-98.64965426407097 pbc="F F F" C 21.96253904 21.93571317 21.85752513 1.20682415 1.28020029 0.16379297 Fe 23.29158489 23.22975023 21.96522130 2.22384606 -2.90198581 3.61316808 C 23.56619281 21.63034937 23.48383536 -0.82437630 2.69973154 2.57523659 C 21.90714847 23.28543651 23.55050058 2.44867326 1.41992164 -1.74923046 C 25.07786228 21.79267290 21.94125192 0.01921947 2.97232514 -0.03170643 Fe 26.53434972 23.44893569 21.80905510 -4.11167055 -2.48537051 2.78605349 C 26.75122038 21.82434726 23.39020185 -1.58266239 2.99537138 0.87167872 C 24.89297952 23.69258365 23.41343490 0.84072622 -0.04703129 0.68787267 Fe 21.74450374 24.91150334 21.64098293 1.26705305 0.79910495 2.96311585 C 23.40217338 26.64079543 22.00914604 4.42646322 -1.89948995 8.55593250 Fe 23.55516347 25.21693343 23.38684432 2.95758329 -3.24854617 -4.27577429 Fe 21.80737555 26.72601622 23.53784423 -1.21373235 -0.93399897 -2.83787291 C 24.73757151 24.83159717 21.67501898 0.51705866 -2.03017644 2.78434785 C 26.40772051 26.25427551 21.83685903 -0.12926910 -0.90742205 1.17952307 Fe 26.38858900 25.20083784 23.31028576 -4.96822589 1.46034498 -3.48931871 C 24.82577224 26.77189004 23.20754028 -6.67807128 -3.05980201 -3.53819525 Fe 21.86138463 21.66641763 24.75730912 -2.42826363 -0.11073813 -5.34213958 Fe 23.35631009 23.26917862 24.80340405 -0.78585784 7.78043750 -6.47436380 Fe 23.17082448 21.95123642 26.30935859 3.93138780 -5.93728284 6.73639163 Fe 21.84361560 23.44570946 26.72646780 -1.18250317 5.29897778 -1.26628919 Fe 25.05357410 21.95652842 25.07412814 3.11134126 -4.85001358 -3.92222373 Fe 26.48676244 23.58951006 24.80136691 1.43823697 -3.32367112 -5.14337962 C 26.31173397 21.91258172 26.54412769 -2.38280085 3.06638212 -3.06047405 Fe 24.98434155 23.67497158 26.37183493 -10.05467845 -3.93463318 3.53063338 C 21.95516813 24.96880819 24.93466431 2.71919961 0.56678202 -1.07216953 Fe 23.28533493 26.42550159 25.01332779 2.64120779 0.91762966 8.25934814 C 23.43997583 25.17722639 26.42480652 -4.02926271 3.92266288 -3.69197617 C 21.95993419 26.33320148 26.61071448 9.79805309 -6.56349428 -2.68441955 C 24.80419235 25.15265372 25.20646531 -1.40620669 -0.76160636 2.13883542 Fe 26.41191473 26.75380317 24.83366981 -4.22230421 -0.66281593 2.00379924 Fe 26.43741560 24.77545513 26.50547551 4.92945843 11.59484844 2.64987147 C 24.77602150 26.63690993 26.57247144 1.52355309 -3.11664167 -2.92006781