108 Lattice="10.952392080003484 0.0 0.0 0.0 10.952392080003484 0.0 0.0 0.0 10.952392080003484" Properties=species:S:1:pos:R:3:forces:R:3 energy=-272.9184876381451 stress="-0.006343870707932787 0.0012126341311989918 0.0011046250501860146 0.0012126341311989918 -0.006496694824734015 0.0011486685237214523 0.0011046250501860146 0.0011486685237214523 -0.006388058475180668" free_energy=-272.9184876381451 pbc="F F F" Ni 0.01187606 0.03236747 0.01219826 -0.47928855 -0.48429951 -0.46029513 Ni 1.81506135 1.79862183 0.01650509 0.65763079 0.98721926 -0.98066866 Ni 1.80650754 0.00948426 1.80666533 0.76275677 -0.73283038 1.02187897 Ni 0.02544596 1.82754625 1.79811455 -0.75173676 0.65505754 1.07819850 Ni 3.61891121 0.03005566 0.00071907 0.30023669 -0.52221468 -0.51263528 Ni 5.47981563 1.85463626 0.01456914 -0.17356641 0.44002547 -0.57637200 Ni 5.42275591 0.00456247 1.84681999 0.15577423 -0.33951795 0.39080206 Ni 3.63248795 1.83751486 1.79198537 0.11181958 0.84608752 1.25104215 Ni 7.30030793 0.01277918 0.01176585 -0.46401232 -0.34626785 -0.32539481 Ni 9.15612494 1.85696109 0.02282689 0.30938981 0.32993816 -0.49285538 Ni 9.14204876 0.03377042 1.82028518 0.37147789 -0.38864160 0.50285103 Ni 7.26658395 1.84764667 1.81515827 -0.49732097 0.51532412 0.79539940 Ni 0.03275238 3.66106812 0.02960327 -0.81292177 -0.09230039 -0.67539959 Ni 1.78910761 5.44348356 0.01459628 0.91204658 0.50226685 -0.72569730 Ni 1.80149334 3.66695955 1.78912789 1.14856419 -0.14123839 1.61793259 Ni 0.00926490 5.50220675 1.83835760 -0.59274901 -0.15068138 0.79379739 Ni 3.62846616 3.66880906 0.01966046 0.20379326 -0.01315139 -0.55343776 Ni 5.46221981 5.50130009 0.03181062 0.23170265 -0.43812879 -0.36760700 Ni 5.45594123 3.66204621 1.83980912 0.04172698 0.34859413 0.76577125 Ni 3.61947336 5.49593389 1.81378907 0.18914228 -0.49550731 1.26765529 Ni 7.31846174 3.66928025 0.00487342 -0.66458291 0.28273753 -0.31487512 Ni 9.14344945 5.50975882 0.00350262 0.44503142 -0.26509979 -0.25256003 Ni 9.13719996 3.64882782 1.83737015 0.52029301 0.24839481 0.41395944 Ni 7.33495800 5.51376715 1.85932456 -1.02113753 -0.38247231 0.43643080 Ni 0.00347044 7.27735198 0.00096566 -0.43287973 -0.23944663 -0.39845296 Ni 1.82629644 9.11646482 0.03160949 0.59326878 0.48940816 -0.57636946 Ni 1.85301222 7.32497861 1.81072151 0.25440291 -0.94847383 0.72272019 Ni 0.00589508 9.15303174 1.81745346 -0.51572512 0.31395250 0.41820952 Ni 3.66724201 7.27911508 0.03219801 -0.23346089 -0.25527875 -0.79632525 Ni 5.49672661 9.12333810 0.02621539 -0.10139840 0.31272211 -0.50207821 Ni 5.45946894 7.30388988 1.81879902 0.24789084 -0.82762186 0.98644613 Ni 3.67980845 9.12699722 1.85794113 -0.14358937 0.69543423 0.19820773 Ni 7.32509011 7.27324428 0.00631820 -0.78289127 -0.25133695 -0.50486894 Ni 9.12633517 9.10162412 0.02747564 0.17896230 0.39367581 -0.32234581 Ni 9.15015787 7.33597259 1.82454859 0.60715468 -0.78256426 0.73873428 Ni 7.27561129 9.13828075 1.85006947 -0.34841130 0.51977591 0.39289254 Ni 0.01893402 0.03526842 3.66530592 -0.50166866 -0.37165597 -0.21409677 Ni 1.85972489 1.84547390 3.67480937 0.55427540 0.75549979 -0.43543147 Ni 1.80438309 0.01791432 5.44693531 0.96382693 -0.48006776 0.35740560 Ni 0.01954567 1.83914810 5.46888543 -0.49009394 0.64821627 0.30497312 Ni 3.63996747 0.03377809 3.66422030 -0.00308222 -0.49850461 -0.18313375 Ni 5.45833256 1.85925247 3.67134325 0.06044566 0.54186989 -0.49416957 Ni 5.46175716 0.02469477 5.46744899 0.21247872 -0.63949557 -0.18864573 Ni 3.68314099 1.81130269 5.46559598 -0.41654460 0.88762054 0.44190376 Ni 7.28656842 0.02103040 3.62228364 -0.52860227 -0.49391282 0.12386184 Ni 9.10198570 1.84803192 3.65746132 0.64835504 0.30082744 0.02008021 Ni 9.10170238 0.02519792 5.50373830 0.42066811 -0.31058735 -0.31283670 Ni 7.26797990 1.84618302 5.42433410 -0.33602690 0.72958931 0.31793592 Ni 0.03529342 3.62546167 3.68332558 -0.42308021 0.23469715 -0.31411606 Ni 1.81045087 5.48019964 3.65280992 1.16428278 -0.24990008 -0.11171472 Ni 1.84700062 3.65044995 5.49676536 0.81115339 0.12758916 -0.00759629 Ni 0.02191042 5.51728314 5.42901885 -0.54574325 -0.33668843 0.25371386 Ni 3.66112780 3.63036420 3.68696959 -0.19194608 0.68360214 -0.41132318 Ni 5.47037471 5.50412124 3.64479443 -0.17624403 -0.37261179 0.18906436 Ni 5.45860933 3.62819428 5.49202699 0.19461569 0.68293588 -0.29119338 Ni 3.62166828 5.49767340 5.49498221 0.51971012 -0.17354958 -0.28372115 Ni 7.33477533 3.65024231 3.61937159 -1.56174320 0.22565231 0.10592594 Ni 9.11661768 5.47098330 3.67093305 0.62111540 0.26438904 -0.35865947 Ni 9.09810376 3.69926054 5.43785192 0.67017080 -0.59491415 0.34879431 Ni 7.30932419 5.43213408 5.45217540 -1.42783589 0.62529522 0.22847620 Ni 0.02579340 7.32636908 3.64723889 -0.57125500 -0.61802669 -0.18644741 Ni 1.81603192 9.10589789 3.63982831 0.79889948 0.68306871 0.26031606 Ni 1.81915701 7.27393200 5.50675342 0.97007854 -0.19861060 -0.28407565 Ni 0.02142313 9.11416424 5.45540554 -0.38589433 0.34226481 0.26416418 Ni 3.61162553 7.31682402 3.62594856 0.21433846 -1.14943477 0.45105495 Ni 5.45082751 9.09663447 3.65396198 0.26055914 0.55244914 0.16086780 Ni 5.45192916 7.31949250 5.44077720 0.20674993 -1.32441170 0.35380958 Ni 3.67593275 9.10827446 5.48975528 -0.32934627 0.45598840 -0.10559145 Ni 7.32147216 7.32855307 3.63939989 -0.88298494 -0.88988790 0.38284733 Ni 9.14013610 9.12629046 3.64539723 0.33967863 0.48296163 0.14659752 Ni 9.15819125 7.28950622 5.45671804 0.24432288 -0.66055138 0.14041454 Ni 7.31518689 9.13027537 5.50591758 -0.72879605 0.49825998 -0.53452030 Ni 0.02385131 0.01798776 7.27507786 -0.45990958 -0.44214168 -0.30459635 Ni 1.85564990 1.83996610 7.33298034 0.53557549 0.56498703 -1.46518249 Ni 1.82721457 0.02774117 9.12960258 0.47012960 -0.64365748 0.42907822 Ni 0.02912192 1.84739498 9.10488059 -0.62956079 0.50552142 0.41931901 Ni 3.67884602 0.00066415 7.29016567 -0.33588635 -0.42580108 -0.58667445 Ni 5.50762523 1.80966182 7.28734240 -0.33125648 0.96357743 -0.47376590 Ni 5.46641059 0.00118792 9.10138990 0.12167927 -0.22365241 0.45946837 Ni 3.62596991 1.83932984 9.12022292 0.51051646 0.32463238 0.54394573 Ni 7.30651456 0.02991613 7.27159677 -0.57791696 -0.65638682 -0.24831594 Ni 9.10941212 1.85053167 7.31525005 0.71816672 0.56162879 -0.97870121 Ni 9.13877344 0.03481569 9.13665036 0.12902599 -0.22627465 0.15183467 Ni 7.31707392 1.85963416 9.11549316 -0.73869991 0.10514199 0.77041661 Ni 0.01218142 3.70654236 7.27700334 -0.48056139 -0.22252805 -0.59994399 Ni 1.83353110 5.48787533 7.30334482 0.97841729 -0.29156297 -0.55964660 Ni 1.85313109 3.64621169 9.09931222 0.44874163 0.52394376 0.58670604 Ni 0.00084947 5.48250755 9.11061348 -0.36118067 -0.25278059 0.61221202 Ni 3.68706181 3.63600515 7.29994499 -0.18241710 0.11664175 -0.79816656 Ni 5.44663588 5.44167032 7.33069958 0.49696612 0.37377982 -1.26898502 Ni 5.47267876 3.60996885 9.15724678 0.13624528 0.25828503 0.24409154 Ni 3.70514672 5.48318434 9.12685748 -0.39259717 -0.11753661 0.42262739 Ni 7.31549361 3.63064070 7.29841663 -1.13630315 0.31924504 -0.73283510 Ni 9.09219630 5.44368265 7.30884551 0.56886036 0.25488148 -0.72924069 Ni 9.12908063 3.64061864 9.13706936 0.42477508 0.21847732 0.48973216 Ni 7.31914452 5.50817525 9.11937722 -0.81959215 -0.48226426 0.43798247 Ni 0.01671934 7.27793366 7.33590205 -0.74741128 -0.17953980 -0.82109949 Ni 1.83386749 9.12245285 7.31450690 0.43572062 0.61894705 -0.59608384 Ni 1.82114738 7.28707154 9.13658578 0.83561830 -0.44087165 0.71793420 Ni 0.03400584 9.13349456 9.15533424 -0.23947733 0.19952318 0.18465323 Ni 3.64285237 7.33506414 7.33281879 0.33707494 -1.10899347 -0.82264251 Ni 5.49508764 9.09670874 7.33141104 -0.17539425 0.70514754 -0.75072953 Ni 5.51348947 7.29870687 9.15010864 -0.22413600 -0.48668675 0.46957519 Ni 3.68795737 9.15115465 9.13181705 -0.13962741 0.25816553 0.45622206 Ni 7.27783006 7.33353605 7.28113826 -0.52275402 -1.44945257 -0.84783186 Ni 9.12814112 9.10702149 7.27019417 0.58663846 0.50648927 -0.25622970 Ni 9.12664300 7.29475757 9.09826421 0.52776949 -0.34928561 0.40976907 Ni 7.32598769 9.13153862 9.13438533 -0.36946969 0.47689485 0.44547865