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:forces:R:3 energy=-40.04909428539029 stress="-254.22290411507555 8.445396066921967 -19.406888416886062 8.445396066921967 -104.93317505887734 6.082226965969589 -19.406888416886062 6.082226965969589 -118.5945628204801" pbc="F F F" C 0.05575126 -0.01297463 0.07768676 -1.47987711 -0.93325058 -1.34372569 Fe 1.40411058 1.45742157 0.01475887 11.22448242 -13.58066924 2.17132239 C 1.44013294 0.17314653 1.85880561 -3.22539322 -8.95051440 -9.45401968 C 0.27115182 1.75930999 1.72700531 4.86046408 8.32525626 3.42735912 Fe 2.96427615 0.29211916 -0.05652452 4.02470722 -2.89261664 2.03512538 Fe 4.67781589 1.64618898 -0.02087008 2.78691016 -2.51538351 0.51907618 C 4.58470852 0.03310309 1.31305510 0.48185499 1.09464712 -1.14341572 C 2.95696570 1.33181794 1.68651663 -1.87488082 -1.07040769 -0.33497058 C 0.23956773 2.72557373 -0.04337473 -15.12698498 17.26208708 3.25505635 Fe 1.64408857 4.40590837 0.20902946 -24.78532917 -4.44167528 -14.30660271 C 1.29590009 2.89074885 1.45874788 -5.39540117 -1.35376716 0.25202276 C 0.04052745 4.23417086 1.44170993 0.84809199 -0.87622371 1.06505657 Fe 3.18168807 3.14109445 -0.07812117 -16.69285283 -14.51900950 -3.85929773 Fe 4.45376057 4.22340307 0.11951579 14.50027639 23.03697985 -8.68495543 Fe 4.45122842 3.24432693 1.56717778 4.91487288 -4.86228549 15.54244104 C 2.94125040 4.68062425 1.27927999 24.85871495 2.85944772 15.31047849 C 0.27544140 -0.24837367 3.28148913 -25.09238547 6.23449351 -25.83490991 Fe 1.55210001 1.21132049 3.26147517 -4.91906995 33.75270491 -13.37916692 Fe 1.57466007 -0.16886999 4.23594820 -1.20716604 -17.06745244 62.87195018 C 0.17858111 1.35680962 4.34376228 -14.41939891 -3.12292029 9.99063647 C 2.76820562 -0.04796265 3.26111147 45.42688881 -10.58727362 -27.12938196 Fe 4.42873806 1.47927008 2.98914746 3.10195431 -2.11697212 -4.83835661 Fe 4.40980164 -0.28147819 4.59641320 -1.33391917 0.53910764 -1.40147082 Fe 2.99965461 1.77820060 4.53576569 -23.31182766 -32.36180326 5.46800782 C 0.17621204 3.13215382 2.71035018 5.58053845 -4.73667939 -15.92630310 C 1.53922890 4.37689326 2.89733491 1.88068528 -6.84400256 -3.97413523 Fe 1.77680686 3.09967038 4.49640474 4.54364689 3.43220716 4.56925969 Fe 0.33877801 4.07927994 4.27273873 -13.96955623 8.71973948 5.68963676 Fe 2.92041999 3.29422506 2.73944939 -10.25550435 4.96107805 -1.29543335 C 4.62004806 4.15684800 3.25797342 -0.11553872 -3.54168441 -2.87496669 Fe 4.23395044 2.71647147 4.57493195 33.29173725 27.74086507 3.66073416 C 3.14074321 4.55673171 4.36424701 0.87925971 -1.58402254 -0.04705124