108 Lattice="11.203462783442607 0.0 0.0 0.0 11.203462783442607 0.0 0.0 0.0 11.203462783442607" Properties=species:S:1:pos:R:3:forces:R:3 energy=-351.41543804223556 stress="-0.005164881305719834 -0.001031076863804735 -0.0005611454883739998 -0.001031076863804735 -0.003838512534701311 -0.0013601109940577286 -0.0005611454883739998 -0.0013601109940577286 -0.0047163901880384095" free_energy=-351.41543804223556 pbc="F F F" Fe 0.05165988 0.00831885 0.00922089 -0.13692978 -0.17906685 -0.04945844 Ni 1.89561194 1.86255300 0.02727705 0.15898927 0.53546905 -0.11537597 Fe 1.83648064 0.02270273 1.85211249 0.38213629 -0.49995936 0.52432524 Ni 0.00432166 1.83192662 1.89701585 -0.32985727 0.87930177 -0.25984093 Ni 3.74385287 0.00401123 0.01994305 -0.30470016 0.06660117 -0.17959995 Fe 5.60887989 1.87535373 0.01421751 0.23867891 -0.10537662 -0.46907803 Fe 5.58111267 0.00741700 1.86937888 0.23244459 -0.42300160 0.03761050 Cr 3.76031693 1.87755074 1.88519591 -0.68760059 0.28278780 0.08011280 Fe 7.48170519 0.01710261 0.01989113 -0.24119692 -0.08260233 0.00154848 Cr 9.34488194 1.86259916 0.01320818 0.46300043 0.09951840 -0.29373020 Cr 9.33187023 0.00981227 1.92377746 0.34285010 -0.45978024 -0.08652563 Fe 7.47562538 1.88277626 1.85911668 -0.38624400 -0.01181676 0.37490338 Ni 0.03423666 3.76642744 0.01932467 0.15996350 -0.16931558 0.19229887 Cr 1.83626490 5.63223122 0.00484927 0.36481263 -0.41766587 -0.43888403 Cr 1.86428975 3.75813273 1.87327259 0.15017694 -0.14384366 0.27475342 Ni 0.02471511 5.60666561 1.84293436 0.14172996 -0.11712974 0.71926561 Ni 3.76716114 3.71356220 0.00117403 -0.64498349 0.20302767 0.16333428 Fe 5.58130165 5.56961102 0.02495215 0.41772323 0.18808863 -0.50843238 Cr 5.60638081 3.72520364 1.84145392 -0.27877933 0.35362488 0.82406570 Ni 3.72311442 5.61968165 1.87561138 -0.39943926 -0.43503082 0.32349592 Fe 7.47277644 3.68702240 0.03019679 -0.11100508 0.43132175 -0.59192189 Fe 9.36416362 5.58008246 0.01290765 -0.17544470 0.08405930 -0.18859712 Ni 9.34665294 3.72594291 1.85003803 0.17469480 0.23810413 0.43991104 Fe 7.46587173 5.60777204 1.83307896 -0.47759395 -0.25044725 0.44691579 Fe 0.01064224 7.46895342 0.03018339 -0.28673691 0.23641043 -0.40575659 Fe 1.87798611 9.35049921 0.02384328 -0.20238392 0.22627518 -0.16199956 Cr 1.88421442 7.46884118 1.90234180 -0.23539078 -0.30864797 0.32462584 Ni 0.00692106 9.32878753 1.85498723 -0.12126981 -0.06087180 0.35799012 Cr 3.67858560 7.49181706 0.03658993 0.31543524 -0.37525783 -0.70104074 Ni 5.56712858 9.35116220 0.02576183 -0.02316860 -0.12767500 -0.15507720 Cr 5.55438185 7.47828185 1.84211233 0.47479584 -0.55383309 0.53739502 Cr 3.75917325 9.36201843 1.85696544 -0.23027699 0.63669230 0.26872729 Cr 7.43441574 7.47025497 0.03565220 0.20736544 -0.18195285 -0.78834114 Cr 9.29997760 9.35828589 0.03329907 0.17170604 0.03002061 -0.10359951 Cr 9.36820206 7.44854757 1.89537084 0.25496665 -0.09294960 0.05096278 Fe 7.44069059 9.33122421 1.88563810 0.18109305 0.45174995 0.20097219 Fe 0.00140356 0.02575243 3.75852343 -0.05262113 -0.26979412 -0.11008488 Fe 1.83611844 1.91824004 3.71301349 0.79095810 -0.39169106 0.53265279 Cr 1.84582075 0.03647870 5.63494562 0.64145243 -0.25944570 -0.29793804 Fe 0.00549508 1.86980272 5.60876913 -0.27066412 0.29395611 -0.10246728 Fe 3.71602684 0.00094751 3.74650291 -0.36724477 -0.29119683 -0.19631517 Cr 5.57261118 1.85440880 3.71992144 0.15092755 0.82922476 0.50817043 Ni 5.61275860 0.01850089 5.57387770 -0.14162142 0.11605709 0.49227724 Ni 3.76291069 1.88515417 5.58619513 -0.47425227 0.61133147 0.32495523 Fe 7.45192457 0.03660313 3.73429619 0.08717075 -0.45948546 -0.29515713 Fe 9.35265818 1.87379743 3.71285754 0.13499943 0.22372206 0.12658362 Ni 9.35459423 0.04275976 5.57055853 -0.13068067 -0.01054619 0.37788689 Cr 7.45815814 1.85895919 5.60600786 -0.23701529 0.50642031 -0.25138413 Ni 0.00446668 3.73133605 3.76407958 -0.21847922 0.44763354 -0.41256713 Ni 1.88417225 5.59969900 3.76348085 0.03327063 -0.03722098 -0.23180574 Fe 1.84753229 3.76510335 5.56781879 0.71672063 -0.38581555 0.62889995 Ni 0.01669470 5.60822342 5.61589570 -0.11580478 0.16642481 -0.24555295 Ni 3.69611223 3.74578784 3.74678099 0.35039445 0.21838758 -0.13957608 Fe 5.58119921 5.59688720 3.74682633 0.30337838 0.23679325 -0.24931457 Ni 5.63832645 3.76231519 5.61635002 -0.76047566 -0.50050583 -0.54270767 Cr 3.74797209 5.61637074 5.56619897 -0.25555359 -0.37811925 0.22535745 Cr 7.45905639 3.75841971 3.72138855 -0.06217085 -0.18221762 0.29287183 Ni 9.30304379 5.58931081 3.69953294 0.17624490 -0.24015853 0.10164833 Ni 9.35267065 3.70123129 5.62560584 -0.37994960 0.42099752 -0.35892672 Fe 7.46479261 5.61514417 5.59231269 -0.14630976 -0.24795650 0.16381936 Ni 0.01509255 7.48613235 3.77797895 -0.06298882 -0.53574190 -0.32833092 Fe 1.88295288 9.31895917 3.70682247 0.00610039 0.44541774 0.24751223 Fe 1.86303545 7.46960422 5.63684848 0.56217742 -0.33473019 -0.62966802 Cr 0.00385821 9.32482306 5.59997272 -0.25118937 0.17658301 0.06625397 Fe 3.72919441 7.49670061 3.71537756 0.08930857 -0.36332226 0.35070867 Fe 5.63757864 9.35300219 3.71496325 -0.22730340 0.20705658 0.21929097 Cr 5.57756298 7.49674282 5.63195429 0.32692283 -0.53589825 -0.62226314 Ni 3.73110742 9.31284584 5.58000905 0.15476466 0.24463482 0.44062340 Ni 7.47375258 7.44898419 3.70130031 -0.40454654 -0.18785962 0.23824247 Fe 9.34736363 9.36513739 3.70277779 -0.24904155 -0.11884484 0.34212019 Fe 9.33930781 7.43437365 5.57965433 0.31749686 0.40153112 -0.19670969 Fe 7.44166057 9.33363700 5.58688948 0.53000276 0.23140948 -0.62030537 Cr 0.00096186 0.01575422 7.45896347 -0.43554328 -0.36414736 0.32988821 Cr 1.84559041 1.88280373 7.48455745 0.71195820 0.59844852 -0.36502343 Ni 1.91305970 0.00891389 9.29896826 -0.07158604 0.07394373 0.00377611 Ni 0.00686224 1.87363810 9.32976220 0.28386210 0.16195404 -0.14320793 Ni 3.71463402 0.02148284 7.47862404 0.23263352 0.25718551 -0.18652776 Fe 5.63126375 1.89699661 7.45507729 -0.57342566 0.01867014 0.14632882 Ni 5.58264266 0.00191897 9.36676210 -0.13275350 0.40261448 -0.47919314 Cr 3.70716929 1.85782715 9.33575007 0.35850979 0.38735501 0.14702460 Cr 7.43889973 0.02750436 7.49539069 -0.11086019 -0.59594744 -0.38654865 Cr 9.32290908 1.89814329 7.46127997 0.62051801 -0.10354134 -0.10721281 Cr 9.30721802 0.01049628 9.32378274 0.17455200 -0.09612879 0.13090865 Cr 7.45948930 1.89091541 9.35526403 -0.25505472 0.16781013 0.58465861 Cr 0.01041091 3.79416512 7.43787550 -0.34987200 -0.21204969 0.08445613 Fe 1.89327421 5.62553053 7.47416457 0.42623504 -0.49645566 -0.55334868 Ni 1.84918813 3.73117674 9.35695454 0.23392426 -0.21067446 -0.31263030 Cr 0.03236081 5.58798454 9.34760160 -0.24896105 0.24729933 0.31492650 Ni 3.76473741 3.76721296 7.44415754 -0.32988205 -0.62972786 -0.45661166 Fe 5.60023338 5.57791846 7.48960956 0.21130056 0.32807804 -0.66533743 Ni 5.62197497 3.76702152 9.33007598 -0.40108001 -0.64024633 0.11348762 Cr 3.75061950 5.53175182 9.31544172 -0.32030080 0.31990814 0.44395011 Fe 7.46639322 3.73754776 7.46955494 -0.31529881 0.20459794 -0.41619345 Cr 9.34110088 5.60656936 7.48113178 0.49482545 -0.27707147 -0.28679747 Ni 9.30235552 3.75672885 9.30193982 0.17535050 -0.16153493 0.14019125 Fe 7.43264387 5.60902361 9.29901099 0.17346092 0.12219103 0.36969468 Ni 0.01821381 7.45976762 7.47235679 -0.28573186 0.11246191 0.11181097 Cr 1.89724312 9.34768827 7.46564279 -0.09745626 0.42061345 0.14911671 Ni 1.84559319 7.46311551 9.30343800 0.34699305 0.23316956 0.14824614 Ni 0.00040978 9.32672890 9.31705284 0.37120521 -0.37749690 -0.26499791 Cr 3.76111470 7.48281597 7.44906902 -0.36140930 -0.19544105 0.15191851 Ni 5.62937653 9.35854844 7.43615219 -0.31097987 -0.14530071 0.45900728 Fe 5.57044493 7.43723362 9.36016300 0.35161911 0.24942832 0.00229010 Ni 3.75112108 9.34001251 9.34628718 -0.33778749 -0.18123621 -0.30700756 Cr 7.50431102 7.47005710 7.42810726 -0.79139995 -0.40666449 0.05742115 Cr 9.31422574 9.31715491 7.47720221 0.68328418 0.61343537 -0.40909093 Fe 9.31923427 7.47938883 9.30268520 0.26306107 -0.27786728 0.43477751 Cr 7.48832130 9.30858780 9.31136876 -0.50784942 0.45850853 0.52109413