32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-18.86491984110355 pbc="F F F" C -0.00388617 -0.18239628 -0.11979172 6 0.69346550 0.04147598 -0.90838088 Fe 1.67178696 1.16985824 0.05094580 26 -30.96767490 10.60939262 -35.97351141 C 1.67874448 0.08651986 1.65825947 6 -22.65287748 -2.67372079 25.28910751 C 0.30364631 1.31515772 1.94633629 6 125.25362713 1.66701693 135.84961891 Fe 2.69440027 -0.18600214 0.30075400 26 25.58434629 -20.06349921 -19.63267631 Fe 4.48263393 1.86625559 0.24359340 26 22.52872558 -40.16328038 -23.49179953 C 4.35857668 -0.20902023 1.60644233 6 0.59855216 -0.97442063 -3.01897770 C 2.57820825 1.29254319 1.41308344 6 25.70590237 15.60013982 32.48295953 C 0.47554923 2.92400685 0.11478489 6 2.41810510 1.06531808 3.80662849 Fe 1.64408857 4.55393112 0.20902946 26 25.17634281 0.11994630 -24.63927000 C 1.29590009 2.86959061 1.60157895 6 -17.01499633 0.33160014 3.30202058 C 0.30891186 4.51635500 1.18127853 6 -28.07558359 -4.16163306 20.77289017 Fe 3.32043840 2.98609936 0.26331057 26 -47.97289125 5.19223435 -7.74271549 Fe 4.41922075 4.22340307 -0.00373296 26 13.55651895 19.81281997 -4.46015906 Fe 4.50389138 2.87311440 1.52144223 26 13.11448605 20.61832098 32.98296630 C 2.94125040 4.49827971 1.51552619 6 5.56739503 3.65817565 -1.96583980 C 0.27544140 -0.15512361 3.28148913 6 -36.03721381 0.67697494 -26.61649765 Fe 1.49136331 1.28247110 3.26147517 26 -132.28346947 -6.72689679 -178.84380307 Fe 1.51619073 -0.22059617 4.23594820 26 2.50871767 -16.36503726 56.64436092 C 0.28736148 1.86204867 4.32402523 6 -17.89317544 15.84417016 13.22997156 C 2.76820562 -0.09495645 3.26111147 6 35.38698423 3.37228406 -22.48528714 Fe 4.66150679 1.39922544 2.66957986 26 0.68359034 -8.34962044 3.23256653 Fe 4.50440161 -0.06437055 4.62631623 26 -0.95462667 0.51764176 0.47914466 Fe 2.74044872 1.77820060 4.07574082 26 30.38992721 -21.37614750 18.67230927 C 0.38078696 3.04402331 2.90837361 6 12.05676153 -1.77106611 -3.37814479 C 1.53922890 4.37689326 3.11719846 6 207.05870317 -351.43652195 135.47851768 Fe 1.84707154 3.17496212 4.40980375 26 -59.94655016 190.94387048 -176.57423348 Fe 0.11006436 4.29809118 4.49051136 26 -0.87307264 0.43572215 -1.75799901 Fe 2.76986142 3.13236414 2.73944939 26 -170.28103263 172.75751917 43.70980147 C 4.28065945 4.13589003 3.27988916 6 -4.37807932 -149.27299170 116.28931946 Fe 4.23395044 2.71647147 4.33720370 26 16.26287931 160.28767701 -108.92599949 C 3.26276613 4.50756807 4.54396589 6 4.78621326 -0.21746471 -1.80688824