32 Lattice="6.8855107517642 0.0 0.0 0.0 6.8855107517642 0.0 0.0 0.0 6.8855107517642" Properties=species:S:1:pos:R:3:forces:R:3 energy=-104.06554835065509 stress="-0.013356727828108534 0.0024534946515577137 6.702376723322759e-05 0.0024534946515577137 -0.013885313510021062 -0.002244136490604645 6.702376723322759e-05 -0.002244136490604645 -0.011337753672122496" pbc="F F F" Fe 0.00158437 0.01076059 0.00145021 0.79433369 0.92663787 0.80231841 Fe 1.75362249 1.74341868 0.02376263 -0.59441932 -0.39730630 -1.21371126 Fe 1.66068671 0.02395639 1.71341403 0.36974716 -1.20118358 -0.34316729 Fe 0.02370166 1.73243884 1.75221640 -1.56911081 -0.14026413 -0.66889866 Fe 3.42511883 0.02225265 0.02767249 -0.04255896 -0.20130154 -0.01604977 Fe 5.13916941 1.69968890 0.02884164 0.01214697 0.25175971 -0.21171897 Fe 5.16563710 0.03889041 1.70146292 -0.07962525 -0.12569716 0.20808298 Fe 3.43872563 1.74870811 1.70437956 0.10270593 -0.45309338 0.44716633 Fe 0.02368496 3.43442468 0.03302271 0.07396294 0.09519648 -0.08701556 Fe 1.72976357 5.19142464 0.01448535 -0.09548583 -0.30366835 0.41687473 Fe 1.69935975 3.41894920 1.74702352 0.36035138 0.72838089 -0.33393193 Fe 0.00479343 5.12868731 1.74240226 -0.00570991 0.12982313 -0.18203045 Fe 3.43266373 3.47675308 0.01468808 0.29335601 0.33533939 -1.06118611 Fe 5.17046421 5.17925439 0.01687921 -0.81581369 -0.72869412 0.87605218 Fe 5.14116149 3.45258472 1.72400034 1.27231515 0.25771962 -0.30283388 Fe 3.45837709 5.15799299 1.73971132 0.19902516 1.07609814 -0.42670193 Fe 0.00331435 0.01798071 3.41777808 -0.23140087 -0.27375690 0.28378775 Fe 1.68835390 1.70314414 3.42444866 0.66778989 0.17959472 0.56039705 Fe 1.71001852 0.02991115 5.16752509 -0.19184238 -0.13727107 0.00424859 Fe 0.02659186 1.73908508 5.12982162 -0.30877593 -0.09440407 0.14041550 Fe 3.43584060 0.01959104 3.47620585 0.32799451 -1.06856593 -0.27743232 Fe 5.17151383 1.71546512 3.43678970 0.87807595 -0.15911230 0.39832082 Fe 5.19277473 0.01351827 5.17584740 -0.73204071 0.88191977 -0.77199176 Fe 3.44513102 1.67359898 5.17115223 0.31161505 0.42142431 0.89570283 Fe 0.01480741 3.46694200 3.45451583 -1.15048303 0.22811761 0.22461921 Fe 1.74903277 5.18801679 3.41044171 -0.49706979 0.90149062 0.41612002 Fe 1.68969225 3.44975922 5.16808277 0.33231045 0.15201266 0.75481574 Fe 0.02986890 5.14605260 5.15446892 0.72988083 -0.54443222 -0.71617691 Fe 3.46363343 3.46592244 3.44856109 0.11616587 -0.25466910 0.59482988 Fe 5.18977418 5.19846837 3.42271096 -0.32099555 -0.44177301 0.25821108 Fe 5.19533215 3.40917113 5.19508181 -0.53896202 0.13440634 -0.57628652 Fe 3.41302954 5.16931747 5.12560552 0.33251713 -0.17472809 -0.09282979