108 Lattice="10.404622005973195 0.0 0.0 0.0 10.404622005973195 0.0 0.0 0.0 10.404622005973195" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.2093830981883 stress="-0.007100245232798486 0.000714890045141169 0.00017405443412930822 0.000714890045141169 -0.006632634350237385 -0.0003321204935379947 0.00017405443412930822 -0.0003321204935379947 -0.007406317531140413" free_energy=-413.2093830981883 pbc="F F F" Ni 0.01540493 0.02881896 0.01360844 0.31264147 0.34000070 0.40898884 Ni 1.73461920 1.72803304 0.02453678 -0.06169010 0.11960490 -0.36906265 Ni 1.72310086 0.02154133 1.75846631 0.17575104 -0.39646632 -0.08675626 Ni 0.01983986 1.75965156 1.76864403 -0.36125609 -0.05610378 -0.31468435 Ni 3.47066527 0.02371816 0.02219919 -0.17249392 -0.17230854 -0.15921448 Ni 5.18041535 1.73909849 0.01835463 0.12451241 0.16294974 -0.41269640 Ni 5.18332264 0.00109818 1.70852041 0.27534905 -0.28610817 0.37014982 Ni 3.45281065 1.71082544 1.70649630 -0.15327914 0.26961438 0.38584344 Ni 6.91808650 0.01203642 0.01097226 0.02066377 0.16247954 0.13412882 Ni 8.66574332 1.74175630 0.01101892 -0.03558627 -0.03046055 0.20009501 Ni 8.67090818 0.00691927 1.77752116 -0.16417876 0.08926298 -0.14730746 Ni 6.94661738 1.73139719 1.71213172 -0.05523804 -0.00004312 0.37169767 Ni 0.02905093 3.49448537 0.02978826 -0.03833095 -0.20855668 -0.12948040 Ni 1.74350672 5.21640312 0.01603562 0.03333316 0.13494977 -0.37741713 Ni 1.73824737 3.49076063 1.72358356 0.14288522 -0.35318733 0.24564422 Ni 0.02101133 5.16774180 1.73959823 -0.37472898 0.44261217 0.15758283 Ni 3.42633487 3.49780398 0.01593575 0.19065320 -0.23071988 -0.40098165 Ni 5.17152753 5.21800571 0.02846818 0.21540179 -0.29928225 -0.39053031 Ni 5.16868069 3.43574119 1.76016103 0.32897760 0.31000948 -0.27268036 Ni 3.47066979 5.18733203 1.75571061 -0.02725045 0.16645077 0.06622307 Ni 6.96468890 3.43715160 0.03271820 -0.35632175 0.25277337 -0.37117072 Ni 8.66375563 5.21115885 0.05506121 -0.01465057 0.12288355 -0.09459968 Ni 8.67026820 3.49835286 1.74006852 0.32349766 -0.29027362 0.18349780 Ni 6.91838405 5.20776631 1.72725178 -0.10826130 0.11397020 0.13139432 Ni 0.03395959 6.93767886 0.01990518 0.02730452 -0.18041941 0.08944762 Ni 1.70327803 8.69709475 0.02736591 0.37212592 -0.17960281 0.08475798 Ni 1.75729921 6.94723600 1.71805384 -0.24509583 -0.08557300 0.37591810 Ni 0.00478201 8.67943480 1.70152940 0.14970762 -0.19978736 0.40333377 Ni 3.47899561 6.94010744 0.03049419 -0.18955951 0.15598733 -0.49498751 Ni 5.25810666 8.68000895 0.00657271 -0.14751040 -0.00094819 0.10026982 Ni 5.17168925 6.96156500 1.70434025 0.43040860 -0.20403691 0.48958872 Ni 3.47663261 8.64728540 1.76834712 -0.13200134 0.56581463 -0.18306167 Ni 6.90606464 6.92787067 0.02005135 0.30139733 0.08005544 -0.22617657 Ni 8.67856584 8.66350635 0.00806719 -0.50364593 -0.41713197 0.41670528 Ni 8.69809458 6.96234997 1.74915578 0.08642921 -0.12709785 -0.14072993 Ni 6.94762416 8.67741970 1.76760921 -0.06448486 0.17089647 -0.32529286 Ni 0.02875462 0.02102267 3.44336008 -0.18789147 -0.14909737 0.09421781 Ni 1.70489750 1.72447905 3.49502557 0.59313595 0.23806777 -0.26408220 Ni 1.75870873 0.02658840 5.18885372 -0.10619212 -0.49984074 0.24992157 Ni 0.00167035 1.73230632 5.18001090 -0.43856695 -0.08252584 0.22361935 Ni 3.48524468 0.02624031 3.48616400 -0.21939637 -0.40317394 -0.36350786 Ni 5.18834996 1.74869070 3.43794934 0.37068575 -0.12777108 0.18237345 Ni 5.17483174 0.01188200 5.16840152 0.25834711 -0.34425071 0.31390223 Ni 3.49285191 1.71683392 5.20105333 -0.17126547 0.54304879 0.22613370 Ni 6.96693750 0.03067436 3.50180440 -0.40289156 -0.34852776 -0.27945989 Ni 8.69127213 1.70643927 3.46566554 0.15948725 0.57253652 -0.08930952 Ni 8.69400142 0.05223380 5.17786600 0.07494142 -0.11196418 0.27635636 Ni 6.93808389 1.71986862 5.23223912 -0.12436539 0.26685510 -0.36980487 Ni 0.03041516 3.43436721 3.45661441 -0.54449332 0.27203356 0.13847237 Ni 1.71808492 5.17154752 3.48186569 0.10574921 0.36503022 -0.14836789 Ni 1.71422259 3.48020788 5.19483341 0.40052035 -0.27596665 0.18695240 Ni 0.01235052 5.20449998 5.23465342 -0.45489742 0.04635488 -0.26105495 Ni 3.46681336 3.44178406 3.45147775 -0.15829822 0.11271708 0.24283176 Ni 5.22592014 5.21824815 3.49692456 -0.12375471 0.11634644 -0.24828717 Ni 5.22950516 3.50261119 5.18662526 -0.26024341 -0.34511980 0.14549590 Ni 3.43374484 5.20580773 5.20640404 0.36283710 -0.16881420 -0.09549229 Ni 6.93383159 3.49885400 3.47096482 0.14718864 -0.45722631 -0.09079639 Ni 8.64160600 5.23604443 3.44891057 0.43626943 -0.19882556 0.08231828 Ni 8.65190127 3.46056685 5.23339681 0.45183628 -0.10565690 -0.38042449 Ni 6.95445139 5.19815358 5.22460841 -0.05671590 0.28720167 -0.19986804 Ni 0.01956568 6.96009854 3.49512121 -0.17806199 -0.25270102 -0.34538282 Ni 1.72805350 8.70323333 3.49327241 0.17156758 0.08502506 -0.30345241 Ni 1.76513245 6.92179505 5.22101508 -0.07242944 0.28847614 -0.21980365 Ni 0.04096804 8.64725821 5.17844170 -0.08526039 0.13013066 0.30710477 Ni 3.47519672 6.91385120 3.44718955 -0.14624879 0.12353696 0.22605533 Ni 5.22935505 8.67718836 3.45214305 -0.04402951 0.21007909 0.08506162 Ni 5.18225952 6.95332958 5.22982619 0.29482109 -0.07970972 -0.24772563 Ni 3.49812172 8.67085247 5.17717579 -0.21758393 0.31035213 0.16461121 Ni 6.96842959 6.95722029 3.48606956 -0.53580119 -0.29395298 -0.27367378 Ni 8.63878461 8.67842846 3.43810200 0.22579441 0.10288804 0.13480728 Ni 8.67086013 6.93229147 5.17436916 0.44099897 0.08886582 0.24913764 Ni 6.95253787 8.64913584 5.18675714 -0.17801679 0.45070758 0.17621154 Ni 0.00421551 0.00637767 6.96063647 0.04093975 0.11510630 -0.37401641 Ni 1.70209882 1.71852009 6.91463795 0.60665580 0.35357713 0.01950905 Ni 1.71556797 0.02295190 8.62289023 0.31434097 0.01600623 0.11069218 Ni 0.05928010 1.75934107 8.63624631 -0.14361706 0.14209392 0.12255653 Ni 3.48289225 0.03258709 6.96961281 -0.00816417 -0.28187064 -0.18873396 Ni 5.22119617 1.76769424 6.94700459 -0.12759232 -0.31318880 -0.15197376 Ni 5.19447566 0.00842942 8.69640489 0.17917311 0.09494608 -0.17288489 Ni 3.49206177 1.74488460 8.70460200 -0.25535838 0.01146340 0.08941219 Ni 6.93731966 0.01582220 6.90561230 -0.13610622 -0.32244521 0.11742855 Ni 8.67240120 1.74393343 6.95898581 0.31201512 -0.11998489 -0.14295077 Ni 8.64766061 0.02201862 8.64933458 -0.28529403 0.24844194 -0.28085867 Ni 6.93356092 1.71537616 8.67780946 -0.07333950 0.07626050 0.21689329 Ni 0.02161758 3.45062621 6.91401856 -0.31466612 0.11017318 0.18300932 Ni 1.72187527 5.22546029 6.91652064 0.02718209 -0.27829288 0.34930204 Ni 1.76536612 3.47819383 8.70315826 -0.06050186 -0.02204028 0.00383299 Ni 0.00041816 5.17901391 8.68307087 0.17473684 0.09174480 -0.26206820 Ni 3.49125455 3.49962018 6.96092073 -0.29050026 -0.25651250 -0.32980326 Ni 5.25296113 5.23033035 6.90254967 -0.29297904 -0.16415198 0.29057633 Ni 5.21981368 3.45610396 8.64029812 -0.00040103 0.23397879 0.46292320 Ni 3.44393493 5.23677352 8.64808636 0.36188684 -0.17583065 0.34976246 Ni 6.95683750 3.44149224 6.91986099 -0.24705834 0.17724297 0.20829356 Ni 8.65520923 5.18982326 6.90650727 0.33523694 0.26108481 0.35882350 Ni 8.64351798 3.45324366 8.64697008 -0.00910178 0.09445422 0.06565528 Ni 6.90997798 5.20126882 8.66853058 0.21257746 0.14944965 0.17573706 Ni 0.02626820 6.95281063 6.92021993 -0.29624675 -0.06782446 0.17420791 Ni 1.73593453 8.69189783 6.96077507 0.16383035 0.06655589 -0.24066118 Ni 1.75347203 6.91395890 8.68373923 -0.21664805 0.17976581 0.12685768 Ni 0.00602092 8.65984349 8.64802379 0.37372912 -0.37667290 -0.27443734 Ni 3.47585626 6.91828388 6.92259917 -0.07939892 0.33519833 0.15847667 Ni 5.21483550 8.69681479 6.95424040 -0.10712394 0.20144867 -0.22677309 Ni 5.18772882 6.96340641 8.66337432 0.11362563 -0.13055255 0.22076873 Ni 3.45017006 8.67167085 8.67167641 0.01705694 -0.09912792 -0.08908240 Ni 6.96016762 6.96145348 6.93429313 -0.07480470 -0.13716300 0.11502563 Ni 8.63206970 8.67694253 6.94398879 0.01103237 -0.15204002 -0.11387900 Ni 8.69096074 6.94381539 8.69680288 -0.41093667 -0.13644504 -0.36381858 Ni 6.90434581 8.70213960 8.63626838 0.09256822 -0.23218533 0.04866994