108 Lattice="10.926749202585391 0.0 0.0 0.0 10.926749202585391 0.0 0.0 0.0 10.926749202585391" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.4085713036049 stress="-0.005348441531295894 -0.0002019581087542092 0.0002292306669791028 -0.0002019581087542092 -0.005466838003487208 -0.00024544581071051294 0.0002292306669791028 -0.00024544581071051294 -0.005564203754961077" pbc="F F F" Fe 0.01215859 0.00035073 0.03243554 0.19998631 0.22617504 0.25339161 Fe 1.78687201 1.79558819 0.01170247 0.08871607 0.03366309 -0.28707628 Fe 1.83219780 0.01887557 1.81548943 -0.14114966 -0.34289988 -0.05738919 Fe 0.00030268 1.84283248 1.82545791 -0.29337449 -0.19239425 0.05183412 Fe 3.64413407 0.03247380 0.00061034 -0.12925024 -0.00180829 0.02630327 Fe 5.43465922 1.78847208 0.00762721 0.06474606 0.15888749 -0.21313399 Fe 5.43863899 0.01281787 1.78696971 0.11578733 -0.22031907 0.20973472 Fe 3.63112974 1.83424056 1.85753791 0.15559099 0.17052696 -0.21501992 Fe 7.30482854 0.04162828 0.05623794 -0.01306179 -0.09100583 -0.04953903 Fe 9.07981384 1.81984250 0.01948851 0.06798714 -0.01406022 -0.07177354 Fe 9.11269591 0.04783708 1.86428793 -0.01416926 -0.06644307 -0.10057463 Fe 7.30530045 1.82537702 1.81788668 -0.28911506 -0.08635539 0.20468097 Fe 0.00898213 3.61740506 0.02596163 -0.08260439 0.03619905 -0.07256552 Fe 1.78755653 5.43116272 0.00519463 0.08172371 0.15202572 -0.26966866 Fe 1.79001281 3.64627017 1.79872424 0.34164007 -0.06585720 0.17769416 Fe 0.02168042 5.43637607 1.85078541 -0.38142476 0.19164308 -0.20310730 Fe 3.66176257 3.63983976 0.00179418 -0.10664883 -0.05376859 -0.08254886 Fe 5.45356092 5.43409930 0.01519805 0.01877221 0.20213657 -0.11502907 Fe 5.48147883 3.65535968 1.82673632 -0.16731416 -0.06936587 0.20839909 Fe 3.61340700 5.49306899 1.82265614 0.20260197 -0.15190466 0.08746798 Fe 7.23587154 3.60925693 0.03357272 0.11152304 0.11632219 -0.37016855 Fe 9.09812856 5.44148187 0.02119806 -0.13878232 0.05053776 0.06354467 Fe 9.07044977 3.61257476 1.79086073 0.35258918 0.17194890 0.16438076 Fe 7.31601104 5.47899571 1.85049092 -0.17992726 -0.17120750 -0.12675281 Fe 0.01009232 7.31184824 0.01752861 0.15317216 -0.02978843 0.12093946 Fe 1.84045808 9.13940542 0.01491535 -0.17604107 -0.13337238 0.04928700 Fe 1.84337694 7.25779004 1.82090088 -0.27423513 0.18170059 0.02414386 Fe 0.00206268 9.10799914 1.80068816 0.17420669 -0.16431761 0.06600580 Fe 3.62540899 7.31872561 0.03285841 0.11095680 -0.19750251 -0.40497652 Fe 5.47822039 9.11865823 0.00467354 -0.00604401 -0.09103052 0.10653826 Fe 5.48674880 7.30942028 1.83379383 -0.20361362 -0.21549101 -0.12058842 Fe 3.61419738 9.07281067 1.78736755 0.14945821 0.35956954 0.25449777 Fe 7.26115083 7.28880847 0.00466160 0.16610096 0.03276475 -0.23183377 Fe 9.10578698 9.10822391 0.03186973 -0.32105546 -0.31260194 0.30785887 Fe 9.07562809 7.28209259 1.83785050 0.40871831 0.09802787 -0.24811943 Fe 7.28253971 9.09234976 1.84648569 0.04518977 0.40163160 -0.33150833 Fe 0.01662940 0.01160857 3.65438927 0.07322065 0.07007062 -0.10303066 Fe 1.85644557 1.81337940 3.61074115 -0.18578563 0.19403603 0.21833674 Fe 1.79904631 0.03086596 5.47297429 0.12591120 -0.28673853 -0.07233731 Fe 0.00738411 1.82015375 5.43527719 -0.19305296 0.10610047 0.05957740 Fe 3.64457449 0.02280601 3.61313325 0.02425729 -0.25370225 0.18344902 Fe 5.46674968 1.82300288 3.67508378 -0.05322980 0.17748084 -0.14715654 Fe 5.47540044 0.00917278 5.41834884 -0.10760906 -0.14574315 0.16725048 Fe 3.61112231 1.87296622 5.49104611 0.28176068 -0.14387296 -0.14036315 Fe 7.29905787 0.03298024 3.67684028 -0.05836290 -0.23904301 -0.19603936 Fe 9.12423901 1.81201029 3.63691593 0.23326150 0.18416193 0.10916492 Fe 9.08070305 0.04633458 5.47029883 0.10526588 -0.13748264 -0.04121837 Fe 7.30688083 1.84038157 5.48413000 -0.15335507 0.12001494 -0.13424513 Fe 0.02946066 3.67624865 3.65649006 -0.19179998 -0.19916563 0.08475585 Fe 1.79081174 5.48575879 3.63652586 0.43194853 -0.11477969 0.12276942 Fe 1.85691616 3.63505763 5.49013659 -0.18818080 0.11548965 -0.13408379 Fe 0.03268150 5.47266200 5.47467313 -0.27264768 -0.14638032 0.08791742 Fe 3.63205216 3.67376582 3.62125498 0.04825269 -0.00940262 0.04287083 Fe 5.48825031 5.47630753 3.62722509 -0.10867357 -0.05525898 0.06381093 Fe 5.49609609 3.66737750 5.44585956 -0.19489655 -0.05445573 0.09077371 Fe 3.64446202 5.44369734 5.45880612 0.00593412 0.04816231 0.04049255 Fe 7.29652302 3.60988943 3.63337271 -0.03105128 0.15226398 0.06798003 Fe 9.11263963 5.49757225 3.67231083 0.16283689 -0.18779075 -0.07775022 Fe 9.11992065 3.66470089 5.48630656 0.21699980 -0.06284844 -0.14007512 Fe 7.28503910 5.46058650 5.46999526 -0.11350190 0.20214122 -0.09382133 Fe 0.00683244 7.25578295 3.66709334 -0.29099416 0.24198439 -0.11488914 Fe 1.81917529 9.07769042 3.64523173 -0.08243348 0.18558274 -0.06672782 Fe 1.80409078 7.27254187 5.46605815 0.18060852 -0.02363796 -0.06935316 Fe 0.01720524 9.13410030 5.49574152 0.06831112 -0.11510187 -0.09274570 Fe 3.67363653 7.29012312 3.67624720 -0.15011376 -0.16065567 -0.15305147 Fe 5.47370600 9.09595766 3.62955159 -0.08105583 0.26936527 0.10010174 Fe 5.43759879 7.30863781 5.46989235 0.24377503 -0.13334602 0.02776874 Fe 3.60754533 9.09533612 5.46392682 0.15220484 0.26944249 -0.03479027 Fe 7.27902576 7.28373468 3.60652061 -0.06371273 -0.07431200 0.44089619 Fe 9.04402699 9.10751287 3.61977158 0.18169701 -0.01340293 0.02298365 Fe 9.11771964 7.27776449 5.46725726 0.10401766 0.10770925 0.08066540 Fe 7.32564814 9.13776862 5.42751393 -0.14002408 0.07114754 0.15879188 Fe 0.01150139 0.01126947 7.30543978 -0.03011165 -0.02314791 -0.07690532 Fe 1.79949466 1.78942434 7.28684486 0.10534311 0.14507003 -0.03951272 Fe 1.79162020 0.02145913 9.11355366 0.18607996 -0.09119317 -0.06636698 Fe 0.04782409 1.78509704 9.09428945 -0.10539725 0.17215291 0.06325129 Fe 3.67659699 0.00212374 7.25278182 -0.03037149 -0.13991634 0.08763904 Fe 5.49944373 1.83251750 7.28085559 -0.15523842 0.04028090 -0.10159554 Fe 5.49119967 0.01283368 9.09891936 -0.04044400 0.13768088 -0.11707632 Fe 3.60594484 1.82661811 9.08108141 0.10628024 -0.19709989 0.22802820 Fe 7.27819635 0.01726014 7.25973287 0.02617287 -0.31124865 0.18298989 Fe 9.10605453 1.78800567 7.26772559 0.26469165 0.14107782 0.27319161 Fe 9.07059359 0.01722015 9.09805547 -0.26536138 0.23217917 -0.25317633 Fe 7.29355247 1.83514886 9.12424467 0.11211478 -0.01083906 0.12704959 Fe 0.03402981 3.64739309 7.31886585 -0.22725963 -0.02571571 -0.08181009 Fe 1.80952290 5.48886752 7.30752210 0.23980285 -0.09857994 -0.05012518 Fe 1.83044533 3.64384135 9.12232475 -0.07120066 0.05275798 0.22151546 Fe 0.02416667 5.49494625 9.10208221 -0.01017668 -0.06501999 -0.01843200 Fe 3.61077655 3.62659961 7.30485884 0.17967045 0.19383655 -0.12481805 Fe 5.44415806 5.49485144 7.29645537 0.05518440 -0.20080004 -0.15907676 Fe 5.43460927 3.59759237 9.08933822 0.16004689 0.15859228 0.14933824 Fe 3.66227114 5.45125106 9.14079994 -0.08389627 0.08253022 0.05968803 Fe 7.30940402 3.67575042 7.24934735 -0.23872880 -0.16715964 0.27856025 Fe 9.07294795 5.44815536 7.31536692 0.35049679 0.23255170 -0.07725475 Fe 9.13776653 3.66044295 9.09203579 -0.16587508 -0.10897343 -0.09242671 Fe 7.30547014 5.48280790 9.11734141 -0.11686024 -0.13786510 0.18451610 Fe 0.01978042 7.29576279 7.27478359 -0.38112565 0.12013605 0.14669543 Fe 1.83347714 9.07161957 7.26006538 -0.15284630 0.38237101 0.25690998 Fe 1.78546068 7.30583165 9.12110729 0.07617356 0.07584575 0.23276837 Fe 0.00001901 9.12621748 9.10662930 0.30628901 -0.29836779 -0.33899384 Fe 3.63030149 7.29595194 7.26690542 0.06949500 -0.13507148 0.11707926 Fe 5.49308064 9.13881140 7.27822713 -0.12016006 0.13416763 -0.00275576 Fe 5.48072968 7.26612080 9.08212301 -0.12139414 0.17066059 0.24388990 Fe 3.60888508 9.09185452 9.10419693 0.07808075 -0.11685029 -0.12671407 Fe 7.28520140 7.31792924 7.28296932 0.09972716 -0.05815132 -0.09328223 Fe 9.11564698 9.12838553 7.28633975 -0.16532368 -0.22006966 0.06330899 Fe 9.11634072 7.25525879 9.13824154 -0.13749637 0.15594350 -0.20449664 Fe 7.27252823 9.09382292 9.09361989 0.13218060 -0.09206408 -0.05560725