108 Lattice="10.428451460681634 0.0 0.0 0.0 10.428451460681634 0.0 0.0 0.0 10.428451460681634" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.3570081633374 stress="-0.010155865751454147 -0.0005899671822802976 -0.000395658737460399 -0.0005899671822802976 -0.010854742216872063 -0.00018532952511247897 -0.000395658737460399 -0.00018532952511247897 -0.010154391103688891" free_energy=-413.3570081633374 pbc="F F F" Ni 0.02480134 0.00732849 0.01430088 0.51780535 0.54746853 0.48004760 Ni 1.77120610 1.73889077 0.03432121 -0.56205146 -0.10085893 -0.87895556 Ni 1.74513247 0.01414990 1.73333866 -0.18450660 -0.58479102 0.18512478 Ni 0.03065526 1.72696571 1.75212296 -0.57127378 -0.04183695 -0.22987161 Ni 3.46462593 0.03124306 0.02756435 0.06548602 -0.33001780 -0.26431447 Ni 5.18073286 1.75515935 0.02458785 0.58182360 -0.14357421 -0.61059503 Ni 5.23236066 0.00846624 1.70087607 -0.12178866 -0.48135762 0.34316076 Ni 3.46370169 1.73415942 1.70904475 0.41292771 0.18525896 0.93775498 Ni 6.98535383 0.01766672 0.03039888 -0.18280307 0.19870036 -0.00067898 Ni 8.66758521 1.74790838 0.02378745 0.03914865 -0.17608399 0.04737377 Ni 8.68719453 0.02700559 1.73387848 -0.17459733 0.04299795 0.07118550 Ni 6.91758897 1.73130555 1.76363454 0.38148815 0.22068124 -0.29653354 Ni 0.02155725 3.45893357 0.00464019 0.19773360 0.05193841 0.12299932 Ni 1.77595416 5.24443806 0.00260852 -0.28292174 -0.56072860 -0.46313984 Ni 1.74425499 3.44443638 1.72121740 0.20633886 0.51321027 0.29321928 Ni 0.01519225 5.21106165 1.71939501 -0.39132904 -0.16572089 -0.16095287 Ni 3.50193675 3.45871563 0.00179681 -0.30636607 0.30876794 -0.44103406 Ni 5.21947548 5.18222041 0.01600092 0.14690745 0.39760889 -0.63405035 Ni 5.24346504 3.50463696 1.72620424 -0.26508251 -0.48446526 0.39912427 Ni 3.48803374 5.22809349 1.71437528 -0.19077641 -0.32783837 0.46262363 Ni 6.98992497 3.45398534 0.02284356 -0.29521681 0.20867608 -0.49259737 Ni 8.70833364 5.20910414 0.00222795 -0.36377715 0.10889421 0.20692507 Ni 8.70219811 3.46228227 1.70663596 0.23945019 0.18667931 0.45691267 Ni 6.94380932 5.21827653 1.76420667 0.40020738 -0.23593701 -0.44038066 Ni 0.02910265 6.93337763 0.03418517 -0.00574537 0.04479073 -0.16090457 Ni 1.75355042 8.66541989 0.01927266 -0.22371305 0.11086847 0.02026583 Ni 1.75955509 6.94706942 1.71180273 -0.16039787 0.18972548 0.52336917 Ni 0.00112229 8.62950859 1.73429900 0.16351297 0.12688928 -0.02092575 Ni 3.44428121 6.97526044 0.00088524 0.64858925 -0.21946817 -0.64975506 Ni 5.18291566 8.70704834 0.00917112 0.17992301 -0.20808344 -0.00603883 Ni 5.21499403 6.92552884 1.73625547 -0.21471062 0.33457528 0.00529588 Ni 3.50034630 8.66612112 1.70635661 -0.19551106 0.54488530 0.55454047 Ni 6.94636686 6.98335904 0.03300318 0.07546828 -0.21112375 -0.66025590 Ni 8.70310942 8.70928075 0.03268030 -0.55026912 -0.52966041 0.52641372 Ni 8.66019752 6.95104182 1.71642718 0.58678899 0.04853098 0.13622257 Ni 6.92914241 8.68363674 1.71802426 0.16567033 0.54196598 0.15357322 Ni 0.01673688 0.03579618 3.49933790 0.02403696 -0.12301751 -0.03896501 Ni 1.73232018 1.71888478 3.49722479 0.26701443 0.31529852 -0.26116980 Ni 1.78647701 0.00452684 5.20526269 -0.39067328 -0.47540078 0.14762727 Ni 0.01935804 1.72343534 5.24935893 -0.39224162 0.08399900 -0.09521397 Ni 3.50202302 0.00865433 3.47315961 -0.08145983 -0.33348081 -0.31138310 Ni 5.23360169 1.73628629 3.48074755 -0.28283739 0.23228683 -0.21406568 Ni 5.19925323 0.00000371 5.19478621 0.17581102 -0.32784576 0.34943042 Ni 3.48180891 1.74962532 5.19757146 0.00203118 -0.02082504 0.31304562 Ni 6.94622985 0.03383018 3.49908598 0.15181908 -0.80841657 -0.19275924 Ni 8.67024544 1.71873373 3.44462041 0.49442573 0.23579051 0.29112592 Ni 8.72303917 0.00626397 5.21929434 -0.22769424 0.10036106 -0.14619840 Ni 6.94423248 1.71374930 5.22155532 0.11248869 0.34380930 0.07828698 Ni 0.02130115 3.49259987 3.45774583 -0.48472619 -0.32383898 0.10373260 Ni 1.71223081 5.22183338 3.44248057 0.72945398 -0.32060840 0.15995373 Ni 1.72437861 3.45675482 5.21431436 0.33167944 0.09666348 -0.21660689 Ni 0.03278470 5.19237952 5.21490834 -0.60412823 0.30209928 -0.07942294 Ni 3.50927052 3.44992645 3.48523012 -0.50495531 0.36928223 -0.31911223 Ni 5.21059825 5.19469367 3.45867251 -0.20983072 0.27742972 0.41784835 Ni 5.20466785 3.46117365 5.23167407 0.07864678 0.10630752 -0.11639804 Ni 3.47980421 5.23425502 5.22366624 -0.01697977 -0.12239873 -0.50411230 Ni 6.96725761 3.48086234 3.50683661 -0.15555267 -0.33456910 -0.24994727 Ni 8.65587796 5.19428983 3.50998289 0.59400094 0.18146958 -0.14251924 Ni 8.71484108 3.43075086 5.24511741 0.27901145 0.21477795 -0.17168675 Ni 6.91952679 5.18631934 5.20874077 0.34843983 0.50797605 0.06829226 Ni 0.00483250 6.93882870 3.43107726 -0.35432362 -0.00282492 0.38988307 Ni 1.70719529 8.70065116 3.50394437 0.28933340 0.25300002 -0.61091634 Ni 1.75933905 6.92595224 5.19470018 -0.37609344 0.19703115 0.18456487 Ni 0.05000920 8.67261216 5.19978541 -0.11877827 0.03141487 0.04027893 Ni 3.44400297 6.96877445 3.47747240 0.49472234 -0.19192417 -0.13520345 Ni 5.21817559 8.69967989 3.49309363 -0.03661837 0.22348676 -0.02359026 Ni 5.24196217 6.98030396 5.21845171 -0.25089862 -0.18204493 -0.14058469 Ni 3.42710609 8.67673224 5.23200750 0.32251693 0.46022138 -0.05977939 Ni 6.93927745 6.94239408 3.44144366 0.27125662 0.33270439 0.63047255 Ni 8.71054825 8.70136480 3.43970135 -0.36413728 -0.35730476 -0.00499791 Ni 8.71673095 6.97932645 5.23532218 0.11635511 -0.34401490 -0.46176989 Ni 7.01749661 8.70614541 5.23141563 -0.25608726 0.20119466 -0.31928862 Ni 0.00048265 0.00124443 6.95454221 0.37491008 0.15920415 0.00755214 Ni 1.76083648 1.70377858 6.97645454 -0.34561188 0.40081107 -0.30253569 Ni 1.76615398 0.01650128 8.68065912 -0.15259946 -0.11512656 -0.11948857 Ni 0.01428755 1.70741301 8.69599912 0.24570624 0.12032812 -0.32182052 Ni 3.49061310 0.00282394 6.92134521 0.16622895 -0.45943544 0.28078526 Ni 5.20338146 1.76751186 6.96942452 0.19453658 -0.35415946 -0.12298162 Ni 5.19211210 0.00902487 8.71919957 0.17007754 0.27883387 -0.39746210 Ni 3.46040163 1.71773907 8.66124350 0.10113832 0.27138103 0.54243464 Ni 6.97337148 0.03056904 6.95278932 -0.25227682 -0.57061116 0.22430261 Ni 8.70193010 1.69529498 6.93290947 0.37507395 0.32222678 0.43917924 Ni 8.72269215 0.03400093 8.69918236 -0.46787353 0.38744851 -0.50673054 Ni 6.99395955 1.71629416 8.70331449 -0.19876334 0.17088496 0.12334428 Ni 0.01688849 3.48307945 6.95321290 -0.36849493 -0.24479085 0.27829356 Ni 1.73764212 5.20383954 6.93031511 -0.03181553 0.36557183 0.47377803 Ni 1.71763314 3.48438916 8.70521111 0.15028148 -0.02031052 0.20164977 Ni 0.01431786 5.24827424 8.67503584 0.17656733 0.11407291 -0.26740907 Ni 3.43554958 3.51169131 6.92478793 0.27359919 -0.41358845 0.38874689 Ni 5.18812406 5.23358619 6.92528025 0.24834474 -0.08054395 0.37248279 Ni 5.18944643 3.44621459 8.68961582 0.25281144 0.26095752 0.15692227 Ni 3.50319106 5.24079614 8.69502199 -0.30401459 -0.14505755 0.25487101 Ni 6.97332163 3.49964132 6.92568740 -0.23639516 -0.43939492 0.51626926 Ni 8.66673461 5.23809111 6.98135213 0.64000686 -0.26700508 -0.33858765 Ni 8.68231328 3.48710740 8.69749314 -0.20035206 -0.12172478 -0.31444090 Ni 6.93845822 5.22669494 8.67863955 -0.25047215 -0.18031775 0.43116256 Ni 0.02727984 7.00128100 6.91183153 -0.32167912 -0.30271358 0.40380871 Ni 1.73628054 8.72221070 6.98702632 -0.21509842 0.37956709 -0.16519373 Ni 1.74524989 6.99200567 8.68225067 -0.42568560 -0.52370910 0.40987714 Ni 0.00884977 8.66229706 8.71879281 0.43386527 -0.44395669 -0.51021685 Ni 3.44223388 6.97485885 6.96904031 0.34394746 -0.17412875 -0.32768333 Ni 5.23150317 8.70490966 6.92401817 -0.09291898 0.22123955 0.23487480 Ni 5.20285421 6.98924680 8.67718785 0.26722136 -0.09134543 0.20531351 Ni 3.44149399 8.64170123 8.70812625 0.33017549 0.36459829 -0.03606138 Ni 6.98503810 6.93530140 6.95314414 -0.40659076 0.33196439 -0.10480672 Ni 8.72233174 8.67450393 6.92417494 -0.12186061 -0.13931357 0.39757767 Ni 8.67584821 6.93844394 8.69703099 -0.03828721 0.12914962 -0.11918306 Ni 6.98591489 8.66491617 8.66328847 -0.05516197 -0.10066223 -0.26262361