64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-70.1324238520405 stress="-0.0007072912329888217 -0.0006917816141216377 3.955212907767232e-05 -0.0006917816141216377 -0.0010763813022199244 0.0004858992565952598 3.955212907767232e-05 0.0004858992565952598 -0.001154353283360509" free_energy=-70.1324238520405 pbc="F F F" Fe 34.58290937 35.20439626 35.40750899 1.37327955 1.43582956 0.79452616 C 36.36437037 36.44042133 36.13156336 -7.83206801 -4.61545393 6.84746032 Fe 37.40014778 37.10640568 35.07375088 6.34422628 4.63551608 -6.02636213 C 39.05277427 38.95820117 36.19004464 -1.24234710 -2.68017082 2.82612216 C 37.19462019 35.08426106 38.10102716 0.45861757 1.20495256 0.46673228 C 39.21070628 36.50238673 38.58193849 -75.39233915 -176.30872128 138.67692659 Fe 35.05057471 37.91769224 37.13816422 1.34666010 -1.09115924 -0.24575911 C 36.17421834 38.61538702 38.50176527 -7.40506496 -4.44271813 11.81454042 Fe 39.35095818 34.88322828 35.04313629 -2.64759223 -1.09237539 -1.02061004 Fe 41.05294439 35.94446113 35.82676928 2.94017158 1.88032301 1.35941427 Fe 43.34825697 36.53224249 34.91317581 -0.49737064 -0.06794768 0.75443156 Fe 44.18217490 39.57234367 36.25592154 6.09075555 0.48433727 -8.37718457 Fe 42.68490217 35.16317185 37.37766367 0.09668037 0.88290200 -0.51162258 Fe 44.00650911 36.64183871 39.14320157 -1.16858412 0.93119971 -0.22086779 C 39.59921688 37.38898356 37.87832058 74.99080026 175.85696933 -140.16329245 Fe 42.15755443 38.88388136 38.92088799 -99.87214333 -12.84857454 60.51957678 C 35.85803004 39.73831628 34.69711560 0.31577567 3.58207453 3.13858256 C 35.76905729 41.46626817 35.88927407 -3.74029990 1.52234121 0.50879777 C 37.98649047 42.53340000 35.64628719 -10.41432532 -16.13896452 -19.49727027 C 38.52482775 43.43274308 36.75750647 10.36890580 15.50520919 20.22437299 C 36.96417481 39.30256871 37.31490567 7.62008349 5.60648150 -10.98901161 Fe 38.44754846 40.81110962 38.88012937 -3.06968948 -0.99777524 2.70142020 C 34.68578160 42.90148936 36.82872913 4.41671013 -5.35238533 -3.37020762 Fe 37.16555775 43.71461891 39.57696018 0.87430797 -1.79259599 0.45297936 Fe 39.92044084 39.92856435 35.01227979 0.41797647 0.61157170 -0.80908451 Fe 41.51047484 41.30629635 35.98173075 -9.35927852 -6.52034788 8.83565830 Fe 42.87627767 42.17702886 34.91808631 11.95274218 8.05512867 -6.76168965 C 44.03012021 43.70745718 35.75338144 -1.39568751 -1.82353010 -0.96633322 Fe 42.91262762 39.50770145 37.79505773 57.05620004 30.48950637 -112.70235374 Fe 43.30971323 41.04950888 38.65689478 6.15538290 26.59328872 15.01840269 Fe 39.66812304 41.99916772 37.58575492 2.36440472 3.15379449 -2.35815665 C 41.00554468 43.55739770 38.88787414 1.03219899 -1.31488086 0.01338994 Fe 34.96756783 35.49135582 40.34836566 -119.36884709 -114.99046536 -70.89882465 Fe 35.89981165 36.38412559 40.89634390 119.98717678 115.31129749 71.02019824 C 37.79623574 38.28688522 40.31180959 -0.76461235 -0.49526362 -0.49013365 C 38.64541442 38.67128391 41.77005365 -3.60914731 7.91697067 -6.12124157 Fe 37.51068003 35.07338231 42.51270000 -17.58915798 -9.00668882 -21.33775470 Fe 38.61415287 35.66754482 43.83132863 17.41355799 8.52851952 21.97969336 C 35.24973235 37.12682516 42.49395964 0.86128039 0.92637268 0.28873499 Fe 36.04668369 38.80394815 43.82522016 1.03857383 -0.05813718 -1.59156136 C 40.07361216 34.98532721 40.26246388 -7.19549742 -7.33962667 -16.78474625 C 40.55236254 35.68721596 41.58045724 7.21643051 8.51995611 17.22629111 C 42.72034998 38.01810984 39.78612526 29.62494836 -45.76997466 44.20566628 C 43.68507323 38.17512137 41.23481416 0.30491657 0.25477112 0.55420243 Fe 42.23993696 35.36666592 42.66239367 -0.51209976 1.38054464 0.02111946 C 44.15144321 36.24539372 43.80917833 -1.37726735 -0.62904458 -0.82977718 Fe 39.29405715 37.55279624 42.77900237 4.07226027 -6.30932120 4.45202303 Fe 41.07726541 37.99276502 44.18192409 0.38434400 -0.34387992 0.16219182 C 35.63213369 39.56981857 40.20138772 -0.42151265 3.85213318 1.07198712 C 35.35743677 41.17164093 41.06100763 0.41234849 -3.51590414 0.42009144 C 38.04609768 42.16669707 40.22953608 0.59027484 0.47708276 -0.85455738 C 38.74278689 43.87969087 41.65151126 0.76528548 -1.62193977 0.58099367 C 37.34024073 40.10235280 43.10755313 2.05877808 0.99570504 1.94086964 C 38.75194044 41.15414925 43.64686475 -2.88855545 -1.85697348 -1.97175210 C 35.12420131 41.97456865 42.59944552 1.14255717 -0.85765297 -2.61489646 Fe 36.60961810 43.57317081 43.76589407 -0.01764348 -0.84729838 -1.06275671 Fe 39.65903457 39.97927762 40.66991262 0.70811759 -0.63316754 1.20074809 C 41.63283006 41.31614708 41.34407382 -22.54109067 20.85513876 -21.51578359 Fe 43.04499323 43.18334555 39.86701283 -0.33473514 0.28500777 1.41243903 C 44.19895410 43.22094245 41.59959078 -1.81765227 -0.39829757 -1.53476159 C 42.49994456 40.47895464 42.23356637 21.25832627 -20.48910819 21.87675611 Fe 43.41503741 42.09285089 44.20406396 -0.38185192 0.43523938 -0.89067974 Fe 39.92384622 42.27125558 41.90583295 -3.09623694 -1.58478298 -3.18600411 Fe 40.86396698 43.62181822 43.28129364 1.89764182 1.66496298 2.33769681