108 Lattice="10.454018806165399 0.0 0.0 0.0 10.454018806165399 0.0 0.0 0.0 10.454018806165399" Properties=species:S:1:pos:R:3:forces:R:3 energy=-417.959859331022 stress="-0.009744965959649748 0.0003190987814588566 0.0009587705314927926 0.0003190987814588566 -0.009389945486548677 -0.0004808205180526466 0.0009587705314927926 -0.0004808205180526466 -0.009698517950782836" free_energy=-417.959859331022 pbc="F F F" Ni 0.01807194 0.02972288 0.00530719 0.32239899 0.15278214 0.17128488 Ni 1.72790674 1.79393271 0.01774166 0.51818664 -0.21736889 -0.52385138 Ni 1.76413416 0.00986343 1.73452219 0.15930129 -0.33165556 0.19896679 Ni 0.03274060 1.71165536 1.71832605 -0.50410641 0.52995540 0.49068994 Ni 3.46850424 0.00043163 0.03150333 -0.00042347 0.07625940 -0.17492398 Ni 5.19039736 1.76365849 0.01905926 0.45438221 0.03847347 -0.47903372 Ni 5.21102269 0.00740146 1.75417962 0.26630980 -0.40642057 0.06961318 Ni 3.51885288 1.74316911 1.75194648 -0.48581143 0.36252428 0.22273087 Ni 6.94656630 0.02771309 0.02722685 -0.20942822 0.16276845 0.01286225 Ni 8.73867604 1.75193757 0.01006132 -0.30878116 0.15483358 0.07239372 Ni 8.68380591 0.02668686 1.74631823 0.04651700 -0.09006977 0.09335960 Ni 6.94407770 1.77299231 1.78219700 0.13021603 -0.03146423 -0.39264255 Ni 0.00919241 3.50874524 0.02805212 -0.23488859 -0.12001172 -0.14244702 Ni 1.73018804 5.23263465 0.00337854 0.41531973 0.11674945 -0.34711687 Ni 1.74297006 3.49299051 1.71703045 0.37049965 -0.06465742 0.62492234 Ni 0.02770227 5.22299116 1.75315648 -0.58176099 0.31287142 0.14345827 Ni 3.50085008 3.48440911 0.01706619 -0.17249581 0.28018961 -0.44053144 Ni 5.25420551 5.23482814 0.00614462 -0.27299831 0.08232060 -0.42513344 Ni 5.24469997 3.51239867 1.72567190 -0.18583238 -0.26566025 0.43547680 Ni 3.49110385 5.26176654 1.75853887 -0.20214972 -0.26690962 -0.21884509 Ni 6.98574430 3.50608278 0.02257822 -0.15146536 -0.29999131 -0.47751561 Ni 8.70498079 5.25103129 0.00966948 0.07290740 -0.11425489 0.07161201 Ni 8.74544839 3.44955190 1.72848748 0.18559248 0.36062680 0.36925687 Ni 6.96906997 5.20978142 1.77667019 0.24722551 0.11686503 -0.15372319 Ni 0.01637127 6.99219211 0.01327526 0.00248802 -0.39257515 -0.12016516 Ni 1.77625815 8.73418584 0.02866579 0.15602021 0.04175009 -0.18298182 Ni 1.71862743 7.00360379 1.73942249 0.45571102 -0.45451736 0.29428608 Ni 0.03127490 8.70204929 1.70828613 -0.13455659 0.16720882 0.63632205 Ni 3.46506944 6.98876004 0.02079258 0.30253783 -0.35509905 -0.39213450 Ni 5.22017675 8.73555733 0.01683305 0.10675194 -0.27760962 0.12384475 Ni 5.26154884 6.93580483 1.77343290 -0.37950233 0.35144460 -0.29389768 Ni 3.48221040 8.70439227 1.74828935 0.15225095 0.28484749 0.42190048 Ni 6.97206151 6.94684953 0.01072304 -0.17979836 0.21333343 -0.23059352 Ni 8.73284712 8.68744393 0.02169966 -0.48848106 -0.29147157 0.36364776 Ni 8.72379594 6.97601522 1.73802130 0.09589425 -0.15776691 0.53840500 Ni 6.93521176 8.70636489 1.77408518 0.39659429 0.24057488 -0.13773070 Ni 0.04889274 0.01040580 3.46436405 -0.13694952 -0.20100093 0.02059972 Ni 1.74725116 1.74019047 3.50023844 0.35256601 0.35549658 -0.30529427 Ni 1.74661619 0.01730288 5.25449091 0.49656568 -0.55916307 -0.38525648 Ni 0.03013560 1.71630179 5.20327488 -0.60412316 0.64172693 0.15724366 Ni 3.50587447 0.00086999 3.47102061 -0.29917902 -0.43308734 0.17961096 Ni 5.22870284 1.74390649 3.49863858 0.07309019 0.36465342 -0.11059499 Ni 5.20415694 0.01925684 5.24598459 0.42058818 -0.53311638 -0.14316222 Ni 3.51743977 1.74460668 5.20250707 -0.44998646 0.41876138 0.36960840 Ni 6.97407636 0.02912258 3.47387597 -0.29719610 -0.60925621 0.14903440 Ni 8.73177004 1.72181583 3.45868847 0.35523424 0.39518094 0.35507442 Ni 8.68570861 0.00749883 5.25949770 0.25609886 -0.13595302 -0.29240925 Ni 6.98402233 1.72466872 5.21286225 -0.24450575 0.31243177 0.09944703 Ni 0.00158410 3.48721756 3.46950379 -0.24525870 -0.14308434 0.09409419 Ni 1.73930274 5.24268319 3.46314970 0.16599573 -0.16771387 0.21412667 Ni 1.75652484 3.49225805 5.25025240 -0.05668859 -0.08765970 -0.17191610 Ni 0.01218385 5.23994579 5.22271680 -0.37557764 -0.08532471 0.10034276 Ni 3.50315666 3.50914708 3.50122066 -0.28776993 -0.37803908 -0.30004739 Ni 5.20958909 5.19770036 3.47260064 0.37169227 0.20398707 0.34127522 Ni 5.27117415 3.49475155 5.25544862 -0.53448299 -0.14148681 -0.24165023 Ni 3.47548380 5.21600315 5.20140250 0.11820833 0.12384268 0.45802937 Ni 6.99490886 3.49238494 3.52303686 -0.31536022 -0.18675135 -0.38473462 Ni 8.68083870 5.21467664 3.50146795 0.68907580 0.23528117 -0.19247077 Ni 8.70332440 3.51125761 5.22546813 0.53089337 -0.41202115 0.05936796 Ni 6.94555677 5.25107329 5.24919482 0.13877135 -0.14449798 -0.21276337 Ni 0.01468316 6.97521095 3.51630701 -0.50137282 -0.01123947 -0.19065651 Ni 1.74899755 8.67712639 3.51610586 0.14952161 0.61931757 -0.23292750 Ni 1.77403467 6.97259525 5.22534524 -0.22545974 -0.10964180 0.23128756 Ni 0.02145198 8.73800582 5.28276182 0.05177974 -0.07069263 -0.17841889 Ni 3.51385584 6.94662394 3.51378345 -0.27897853 0.29290619 -0.44513419 Ni 5.25208383 8.72604880 3.46347575 -0.33309348 0.38063557 0.24777675 Ni 5.23716831 6.99790741 5.20095550 -0.34027421 -0.43188537 0.31719632 Ni 3.47839198 8.69055917 5.24803724 0.16264176 0.52920992 -0.01599568 Ni 6.94997882 6.94380138 3.50508495 0.33746557 0.27993336 -0.21758816 Ni 8.73394838 8.74087583 3.50850356 -0.36118503 -0.23497558 -0.17416085 Ni 8.69786722 6.99466786 5.21743995 0.45060031 -0.41817876 0.13467982 Ni 6.94600748 8.69435158 5.25865813 0.12519163 0.64492421 -0.24726705 Ni 0.02733777 0.00721803 6.92804356 -0.19386677 -0.21261077 0.00597696 Ni 1.70976849 1.72282047 6.96150932 0.74685042 0.51047616 -0.10244230 Ni 1.72232086 0.03426763 8.74179414 0.54750460 -0.17683977 -0.25431736 Ni 0.03383991 1.71100030 8.68011032 -0.23256175 0.61085017 0.14050444 Ni 3.50796639 0.03345746 6.94757066 -0.30825257 -0.52659318 0.27621418 Ni 5.20203881 1.76893437 6.98287975 0.42892011 -0.09832450 -0.13199421 Ni 5.25322375 0.00919527 8.72102532 -0.05780992 0.04342888 -0.17392746 Ni 3.47926537 1.74134416 8.70716075 0.00614592 0.09312754 0.37646220 Ni 6.99026170 0.02144350 6.94418972 -0.60092096 -0.37009949 0.20346811 Ni 8.69790724 1.73334317 6.96509505 0.45914263 0.49022353 -0.03595097 Ni 8.69492967 0.03067449 8.70366506 -0.27136518 0.21449626 -0.23179570 Ni 6.95870969 1.74889054 8.73072732 -0.17628228 0.22271165 0.15116214 Ni 0.01288555 3.51064098 6.99610932 -0.40300526 -0.30461290 -0.48336501 Ni 1.72035794 5.25799321 6.97961430 0.16774364 -0.27323900 -0.25731578 Ni 1.78949413 3.48848074 8.68557350 -0.33630504 -0.23348319 0.54596768 Ni 0.00616943 5.19223638 8.73839953 0.08237941 0.31502608 -0.05645546 Ni 3.49731290 3.52393150 7.00125622 -0.15676039 -0.46691280 -0.72451294 Ni 5.21841136 5.25883689 6.94514730 0.18990620 -0.33593191 0.28232385 Ni 5.20966979 3.49298316 8.72547184 0.33832780 0.14712116 0.28963849 Ni 3.45141918 5.21795289 8.68666288 0.35249292 0.33075998 0.79338504 Ni 6.96917605 3.46353398 6.93743233 -0.15819140 0.21422699 0.51393412 Ni 8.68833381 5.19616430 6.96432069 0.48268184 0.33374196 -0.15277321 Ni 8.68082097 3.48653157 8.73054955 0.04758957 -0.15247793 -0.12069522 Ni 7.00337840 5.24398651 8.72752028 -0.45752446 -0.16368897 0.10709961 Ni 0.03248996 6.99834724 6.97235807 -0.51016213 -0.47285327 -0.13325038 Ni 1.75342875 8.73838516 6.99870198 0.35429105 0.18298653 -0.28656849 Ni 1.73005820 6.97966703 8.71852970 0.23679224 -0.23599748 0.46872744 Ni 0.02071326 8.69694368 8.69785693 0.12995891 -0.10728078 -0.14685674 Ni 3.46461343 6.92613071 7.00017321 0.23258829 0.43113843 -0.42634521 Ni 5.22298459 8.68012091 6.97837465 -0.12357468 0.48648908 -0.16915691 Ni 5.27031747 6.94912406 8.69928524 -0.31059644 -0.12521222 0.52886823 Ni 3.50782513 8.69783541 8.70732816 -0.05420452 -0.07664726 0.07226901 Ni 6.95256720 6.96892480 6.94452764 0.34853493 -0.07490049 0.29057564 Ni 8.74433277 8.70694121 6.96518607 -0.21316915 -0.08253335 -0.29067387 Ni 8.74448067 6.96201323 8.67847164 -0.20547739 -0.18292867 -0.10798272 Ni 6.97231584 8.72051760 8.68392885 -0.10498395 -0.16603078 -0.06830983