108 Lattice="10.411276379549285 0.0 0.0 0.0 10.411276379549285 0.0 0.0 0.0 10.411276379549285" Properties=species:S:1:pos:R:3:forces:R:3 energy=-415.4617477337977 stress="-0.008906938227833568 0.0011362559838381258 -0.0016452761640442532 0.0011362559838381258 -0.008560354520695633 -0.0002441453980142427 -0.0016452761640442532 -0.0002441453980142427 -0.009201515865577528" pbc="F F F" Ni 0.01438847 0.02089631 0.01577587 0.38161361 0.45078567 0.26837568 Ni 1.74445321 1.76557140 0.02858683 0.08459246 -0.37949859 -0.60131969 Ni 1.71762937 0.00582911 1.68420099 0.14366727 -0.40524943 0.26961897 Ni 0.00251637 1.73341216 1.70295073 -0.45354901 0.01114880 0.22987206 Ni 3.49571776 0.00032813 0.01024023 -0.10267670 0.33930712 0.18284133 Ni 5.23734897 1.73041832 0.01149980 -0.41054128 -0.03712214 -0.20189925 Ni 5.17445254 0.01286053 1.76043103 0.23575603 -0.34253183 -0.15581592 Ni 3.45712799 1.75430678 1.76534845 0.23978342 -0.25315146 -0.32331909 Ni 6.93472932 0.00747634 0.00833105 0.14938863 0.37072278 0.42801919 Ni 8.70740144 1.76319356 0.00844843 -0.47165314 -0.23752731 0.33655075 Ni 8.66845806 0.01996249 1.74738465 -0.33449184 0.27194959 -0.11922564 Ni 6.94375961 1.74376524 1.75056674 0.15834640 -0.41737391 -0.12780602 Ni 0.03171541 3.44952368 0.01614739 -0.05997467 0.14596069 0.00059107 Ni 1.73087488 5.18339174 0.02561481 0.06334749 0.47925474 -0.30596605 Ni 1.76271858 3.47974553 1.74278606 -0.47042000 -0.04386453 0.14988883 Ni 0.00687157 5.17950997 1.74886340 -0.37188543 0.34500611 -0.16833455 Ni 3.46640591 3.48559132 0.03219585 0.26390304 -0.31686825 -0.56079279 Ni 5.20013756 5.18189300 0.03061271 0.16886331 0.12746490 -0.67098357 Ni 5.21894567 3.46566076 1.77801308 -0.20499087 -0.17184029 -0.15432935 Ni 3.50242322 5.18251805 1.73868095 -0.23122527 0.60226656 0.28989170 Ni 6.92572941 3.44272466 0.01693452 0.26615371 0.22752566 -0.51925670 Ni 8.70491236 5.21635675 0.00594654 -0.22188772 -0.09162153 0.21732994 Ni 8.65675764 3.48868494 1.70630106 0.57753599 -0.17253746 0.25241536 Ni 6.93115354 5.18532316 1.72518202 0.39404984 0.30320282 0.29458317 Ni 0.00618972 6.93049994 0.00763900 0.48783081 0.13096674 0.47178941 Ni 1.75929983 8.70625479 0.00472566 -0.25500274 -0.44060438 0.27629261 Ni 1.75082570 6.98001684 1.75543015 -0.40327684 -0.43630525 -0.50461007 Ni 0.01201808 8.68254125 1.74571644 0.25646319 -0.34395286 -0.18347954 Ni 3.50210945 6.96999095 0.01312687 -0.34354162 -0.36116101 -0.45482966 Ni 5.21663264 8.67093035 0.00244565 0.10753790 -0.18681174 0.13566621 Ni 5.22950786 6.91945278 1.71752881 -0.13795624 0.15763560 0.48707886 Ni 3.45235194 8.64139762 1.72138164 0.43639257 0.74118995 0.23388358 Ni 6.99797464 6.91091429 0.03390231 -0.23617705 0.21470257 -0.58863466 Ni 8.67118522 8.66496152 0.03141583 -0.42207373 -0.42691611 0.41182140 Ni 8.70467147 6.96863943 1.75113487 0.19289546 -0.33203515 -0.01937253 Ni 6.92947158 8.65386895 1.71172046 0.29233595 0.36607009 0.12579869 Ni 0.02579414 0.03883205 3.49882719 -0.15180336 -0.07865721 -0.31397940 Ni 1.70075260 1.72591115 3.43973588 0.31522290 0.18787723 0.30863000 Ni 1.70658878 0.00637013 5.19961789 0.20608710 -0.27566744 0.11513213 Ni 0.00126773 1.75312566 5.21864956 -0.46567734 0.00627318 0.09949376 Ni 3.44046771 0.02921008 3.49550425 -0.01865219 -0.53093696 -0.14419835 Ni 5.19694016 1.71953802 3.48618929 0.21117022 0.40576409 0.12565803 Ni 5.21240855 0.00382627 5.22580609 -0.20193660 -0.38407078 -0.01545916 Ni 3.49595171 1.74089074 5.21665600 -0.43975311 0.22687759 -0.16477887 Ni 6.92662904 0.00322058 3.49727401 0.13617071 -0.43271121 -0.20074055 Ni 8.66146540 1.70147751 3.50300123 0.45364690 0.27650139 -0.31565589 Ni 8.68805306 0.00992970 5.21306972 -0.12838114 -0.15061701 0.07918190 Ni 6.96793520 1.70826819 5.23805969 -0.42337269 0.47987268 -0.29531291 Ni 0.00720696 3.47717028 3.48458361 -0.50611159 -0.22625839 -0.43555239 Ni 1.72731927 5.23790045 3.44236270 0.33493927 -0.15225129 0.09685537 Ni 1.70273509 3.48053978 5.17275381 0.55940961 -0.20531719 0.45468133 Ni 0.03204349 5.18202842 5.17968403 -0.66116753 0.27268606 0.27408628 Ni 3.43829417 3.48576668 3.47170905 0.37189503 -0.15825812 0.35235009 Ni 5.22894469 5.18684909 3.52200661 -0.45101753 0.29488541 -0.42201229 Ni 5.23621860 3.48107263 5.22955390 -0.31445287 -0.38391011 -0.31095696 Ni 3.44750957 5.18726117 5.23792456 0.17245819 0.08512832 -0.22576553 Ni 6.96242957 3.47241202 3.44851331 -0.09853293 -0.30864648 0.36411257 Ni 8.69866974 5.19737205 3.50206115 0.33026759 0.13972898 -0.43453455 Ni 8.66590109 3.47262310 5.19835638 0.42592507 -0.20281026 0.17914961 Ni 6.95377322 5.17336707 5.18639372 -0.08154167 0.35704276 0.42131340 Ni 0.01212451 6.95065121 3.49930451 -0.42965237 0.16216537 -0.16308401 Ni 1.71228508 8.69717144 3.47283849 0.11426736 0.29975465 0.19769447 Ni 1.74913202 6.91185209 5.21575900 -0.09546402 0.50761021 -0.17747355 Ni 0.02528611 8.70006109 5.23770533 0.05063210 -0.19023597 -0.19151319 Ni 3.46530907 6.96581801 3.47975749 0.30582672 -0.41729105 -0.13040806 Ni 5.25453595 8.68883256 3.46665230 -0.26418407 0.19310348 -0.22012216 Ni 5.19615891 6.96286948 5.20563618 0.12707126 -0.35292280 0.17526300 Ni 3.49893255 8.66447654 5.18800121 -0.25496795 0.61522709 0.16670095 Ni 6.95245922 6.91588072 3.50235614 -0.09380066 0.16528538 -0.44020470 Ni 8.66354921 8.64421008 3.47171547 -0.21361356 0.10638523 0.00080093 Ni 8.66772718 6.95830283 5.19874005 0.38848030 -0.00970259 0.24455507 Ni 6.92460673 8.68914283 5.22541981 0.16343272 0.29462330 -0.07679870 Ni 0.02010923 0.01260104 6.92714278 0.13915340 0.20286395 0.12914575 Ni 1.73923458 1.74328926 6.92374077 -0.20542363 0.06804632 0.25743298 Ni 1.71102350 0.02856375 8.68303439 0.17528029 0.10747244 -0.28531715 Ni 0.03464294 1.71460952 8.68410363 0.16242418 0.24789165 -0.33786571 Ni 3.43963966 0.00669247 6.92902107 0.03245413 -0.43311210 0.01113191 Ni 5.19521750 1.76541758 6.95834899 0.18721892 -0.36658723 -0.39664848 Ni 5.18910315 0.03321979 8.63199903 0.20908369 -0.16727417 0.10260619 Ni 3.49645130 1.70616986 8.65355572 -0.51168279 0.21243181 0.60868346 Ni 6.90923717 0.02098527 6.93414987 0.47756761 -0.40206927 0.32742826 Ni 8.70125108 1.72270833 6.90912974 0.19979947 0.11905128 0.53576831 Ni 8.64895350 0.03162300 8.65587940 -0.50071569 0.49205045 -0.54160554 Ni 6.95111374 1.75987610 8.68538314 0.27056055 -0.31246906 0.20320879 Ni 0.00474822 3.50376125 6.97336997 -0.29112314 -0.42623857 -0.14247362 Ni 1.71317158 5.22314712 6.96517488 0.40868547 -0.38218544 -0.43009001 Ni 1.75522049 3.49496171 8.69176377 -0.14674656 -0.49254186 0.34465687 Ni 0.03554976 5.19957810 8.65787360 -0.21158117 0.25375852 0.23855162 Ni 3.45700142 3.44831107 6.96314575 -0.06996493 0.39524210 -0.28902285 Ni 5.20308080 5.19635512 6.93537279 -0.25503243 0.19832164 -0.01537623 Ni 5.22461763 3.44731013 8.66036004 -0.42815792 0.27952995 0.68418743 Ni 3.44178455 5.21231095 8.68584789 0.38806243 -0.07666073 0.20095447 Ni 6.92112727 3.46613544 6.95942914 0.64411011 -0.09585061 -0.22564067 Ni 8.66071001 5.21042847 6.92173206 0.37787454 -0.07033781 0.24348785 Ni 8.68829508 3.47772268 8.68197520 -0.24664056 -0.05494911 -0.38092253 Ni 6.91627317 5.17461468 8.65820112 0.35966998 0.34841468 0.47997126 Ni 0.01801551 6.94301193 6.90734667 -0.53320774 0.12873267 0.27782810 Ni 1.71166245 8.69638380 6.93031659 0.15357858 0.27473456 0.16850062 Ni 1.74758584 6.92725000 8.64317904 -0.33969427 0.54159853 0.56662445 Ni 0.00107242 8.66687106 8.65402306 0.59744399 -0.61520366 -0.58562916 Ni 3.44987610 6.97095423 6.92968825 0.35372176 -0.13978270 0.13253173 Ni 5.22685479 8.70897079 6.97199491 -0.14751970 0.07157644 0.06238951 Ni 5.17480522 6.92250853 8.67499304 0.19660092 0.30629854 0.18874576 Ni 3.43825059 8.67995891 8.66921351 0.07135552 -0.16872475 -0.19351174 Ni 6.93183267 6.91714280 6.92702774 0.08597394 0.36372879 0.28381304 Ni 8.64783023 8.70434189 6.91550537 -0.28141872 -0.43507851 0.21665286 Ni 8.67789224 6.94063096 8.66507752 -0.45386608 0.01620829 -0.45213625 Ni 6.95840864 8.67675328 8.68001347 -0.00979688 -0.49360169 -0.36750271