256 Lattice="13.970176060646239 0.0 0.0 0.0 13.970176060646239 0.0 0.0 0.0 13.970176060646239" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1007.7974813007987 stress="-0.00811136146957675 8.980271021354049e-05 0.00033266989200575936 8.980271021354049e-05 -0.008467523099983975 -0.0003190436314503956 0.00033266989200575936 -0.0003190436314503956 -0.00821101197849061" free_energy=-1007.7974813007987 pbc="F F F" Ni 0.01353141 0.01749855 0.00606142 0.57303518 0.59466310 0.54633027 Ni 1.77385729 1.76903840 0.03417603 -0.36870241 -0.42599218 -0.72054887 Ni 1.76909270 0.01501091 1.71514057 -0.33967035 -0.40725922 0.32231841 Ni 0.01702021 1.73741042 1.76648183 -0.47236973 -0.22513212 -0.25284249 Ni 3.51702122 0.02928899 0.01569974 -0.17125157 -0.10012609 -0.05643989 Ni 5.21792337 1.71578310 0.00031919 0.26832280 0.44771511 -0.16558665 Ni 5.20291398 0.02512442 1.77772117 0.33295798 -0.53917610 -0.23337656 Ni 3.47213226 1.71651316 1.76609817 0.28516618 0.53136014 0.10350262 Ni 6.97341028 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6.97805563 0.00515992 0.37212001 0.09862783 -0.44421665 Ni 5.26027793 8.74989834 0.02659410 -0.30198709 -0.10487990 -0.58722901 Ni 5.25841361 7.01462166 1.73339204 -0.41978228 -0.24899433 0.25587952 Ni 3.52128750 8.71738890 1.73365576 -0.40039045 0.40167199 0.24261364 Ni 6.95944797 6.98914727 0.03344775 0.21583781 -0.07661381 -0.53177203 Ni 8.70414798 8.71260393 0.00256428 0.31916616 0.18573668 -0.31243596 Ni 8.71279919 6.99485741 1.75159701 0.31639413 -0.07383803 -0.09014372 Ni 7.01001523 8.73942733 1.75275329 -0.32073277 0.20951550 0.18088796 Ni 10.47986580 6.96188848 0.00788744 -0.16465856 0.23374763 -0.31911215 Ni 12.15803254 8.70421696 0.00845369 0.10677279 0.10691995 0.13359529 Ni 12.24827988 6.95662750 1.72585904 0.25366493 0.32335858 0.21638700 Ni 10.47675514 8.71867119 1.75931015 -0.14171204 -0.02070839 -0.29063755 Ni 0.01956049 10.49307616 0.01480551 0.08146288 0.04569621 0.30672523 Ni 1.73243080 12.22988617 0.01510520 0.04257923 -0.19529351 0.30506813 Ni 1.72224535 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0.00471966 0.01322758 3.50174555 0.26758413 0.17811833 -0.06440269 Ni 1.71123207 1.78518260 3.50973639 0.44825458 -0.51178403 -0.29356747 Ni 1.75890047 0.01539397 5.21416456 -0.06811190 -0.34531310 0.21072567 Ni 0.03388170 1.75269136 5.25967738 -0.65001201 0.03247722 -0.10165321 Ni 3.49906896 0.00879192 3.50116552 -0.37893467 -0.51691108 -0.12382650 Ni 5.21834585 1.72429603 3.52050341 0.40849361 0.75484813 -0.40384140 Ni 5.24843464 0.03134976 5.21418690 0.02590853 -0.71708128 0.41108293 Ni 3.50553712 1.71508567 5.20722868 -0.36178669 0.62226015 0.58347510 Ni 6.96529440 0.01448315 3.49752894 0.27719216 -0.53204802 -0.22004098 Ni 8.71183367 1.74027144 3.52601699 0.39445755 0.13302425 -0.56722580 Ni 8.71720107 0.02263699 5.26925406 0.36398790 -0.49369218 -0.22367606 Ni 7.01714502 1.73040526 5.21090817 -0.60595528 0.65243909 0.42260870 Ni 10.47525125 0.03413842 3.45978709 -0.17923023 -0.58963332 0.20829142 Ni 12.19985847 1.71756984 3.47663888 0.51796615 0.38694555 -0.07786050 Ni 12.23761283 0.03917651 5.22930874 -0.10803172 -0.15405366 -0.14418671 Ni 10.49860971 1.72850916 5.20927351 -0.27810537 0.29998654 0.36078213 Ni 0.00539669 3.50675332 3.46287457 -0.53130376 -0.20452766 0.30048503 Ni 1.73308088 5.21463942 3.49677841 0.61245369 0.17008255 -0.09869310 Ni 1.74103615 3.46214570 5.23059154 0.37087686 0.47706303 0.37526729 Ni 0.00437800 5.23788579 5.22260122 -0.16896128 -0.04086595 0.04635593 Ni 3.51314259 3.46056762 3.48362223 -0.23451591 0.42906664 -0.02744729 Ni 5.21969536 5.29268565 3.45808868 0.11544428 -0.28638786 0.43050400 Ni 5.21872419 3.52098636 5.24105605 0.42523612 -0.49064730 -0.36970075 Ni 3.50264698 5.22899984 5.25681949 -0.32649168 0.15290141 -0.35691365 Ni 7.00069162 3.49525700 3.46681288 -0.64234645 0.13554494 0.64304767 Ni 8.72452747 5.26705791 3.46083451 0.26367504 -0.16493509 0.43637993 Ni 8.76510563 3.48799200 5.23095457 -0.33543366 0.22644634 -0.05920458 Ni 6.98860365 5.25336405 5.25818470 -0.04484368 -0.20547385 -0.66215633 Ni 10.51036022 3.50392709 3.52485223 -0.56574160 -0.24410171 -0.49334178 Ni 12.20572073 5.21932442 3.46142709 0.47425247 0.34651617 0.21017406 Ni 12.23730009 3.52184280 5.24313359 0.30310043 -0.36804561 0.07189563 Ni 10.49451886 5.22881283 5.23379840 -0.37201678 0.45384369 0.13820718 Ni 0.01986482 6.99358662 3.47149065 -0.27612080 -0.21420680 0.17268915 Ni 1.73636556 8.71208312 3.45779190 0.52614676 0.58258490 0.34036169 Ni 1.78232665 7.00717231 5.22920045 -0.41790678 -0.36088709 0.12347919 Ni 0.02430922 8.76033676 5.21562435 -0.40134952 -0.23995800 0.20850949 Ni 3.45917258 7.01744664 3.50928811 0.34430408 -0.53985301 -0.40287384 Ni 5.24346382 8.70748888 3.50211025 0.14939370 0.42059343 -0.01057335 Ni 5.22950033 7.01698238 5.24982027 0.17260833 -0.71158923 -0.31820897 Ni 3.51394023 8.70489621 5.25251182 -0.39657072 0.73793678 -0.18537875 Ni 7.01586877 6.99119060 3.44764282 -0.46019632 -0.02956437 0.56171193 Ni 8.72642738 8.75004606 3.48263332 0.07146908 -0.24532903 0.28007731 Ni 8.71280746 6.98062019 5.22400688 0.52052694 0.11426828 0.21804710 Ni 6.98413875 8.71740103 5.27078462 0.08083242 0.18716650 -0.37521324 Ni 10.50397173 7.00919464 3.47000059 -0.41860262 -0.35539722 0.22390082 Ni 12.20496034 8.73382738 3.49150622 0.63085205 0.01325426 -0.18751872 Ni 12.24837479 7.01819534 5.21336912 0.14730922 -0.27834980 0.09174548 Ni 10.49982456 8.74390776 5.22353088 -0.39944483 -0.08665137 0.31172621 Ni 0.02352017 10.48845871 3.52529416 -0.38900004 -0.02692282 -0.44391263 Ni 1.74201467 12.22566480 3.45566082 -0.05494106 0.37795490 0.37774100 Ni 1.74105464 10.48761150 5.26841816 0.32273040 -0.20785717 -0.37785597 Ni 0.00749764 12.18318790 5.21968816 0.22436465 0.09344592 0.22963742 Ni 3.49946759 10.50585880 3.50823224 -0.19181005 -0.78204114 -0.17366828 Ni 5.22115023 12.23450713 3.50910540 0.33331625 0.25677520 -0.23092792 Ni 5.24379695 10.49700666 5.25570556 -0.13791829 -0.46685923 -0.09186677 Ni 3.47289973 12.20000472 5.22102093 0.04759194 0.55944090 0.24102394 Ni 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5.21184781 0.03050391 8.69685336 0.31998842 -0.49202640 0.33347419 Ni 3.50683386 1.75645650 8.74279234 -0.07013327 0.05886119 -0.28826951 Ni 7.00970408 0.00678407 6.97515988 -0.31294245 -0.21448974 0.19572683 Ni 8.70679543 1.77859438 6.99466528 0.23627445 -0.16246722 -0.16201982 Ni 8.74821627 0.02362690 8.71167114 -0.04285763 -0.34868984 -0.00262560 Ni 6.98398506 1.75675402 8.75657589 -0.11192112 0.22196887 -0.42013895 Ni 10.50239080 0.02420127 6.96978638 -0.13981289 -0.40666117 0.06127113 Ni 12.22887212 1.71650264 6.95793935 0.42086744 0.35614101 0.12489749 Ni 12.23573350 0.05001503 8.77595619 -0.16119462 -0.08768838 -0.19922814 Ni 10.49556128 1.73787981 8.69629573 -0.09388645 0.07299539 0.27096875 Ni 0.00302448 3.50667459 7.01455124 -0.28419261 -0.21894740 -0.24320081 Ni 1.71771827 5.24916701 7.01133035 0.51648735 -0.24063535 -0.60204817 Ni 1.79783458 3.50054742 8.71099528 -0.46260180 -0.12287278 0.32226974 Ni 0.01143450 5.21468788 8.71095169 -0.22815033 0.26225998 0.52080267 Ni 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10.45348638 0.02649539 10.47615471 0.04765193 -0.32028972 0.22182876 Ni 12.22179189 1.72335394 10.48686046 0.41947100 0.22489550 -0.07886053 Ni 12.22010874 0.00886424 12.20068138 -0.48343942 0.41482821 -0.48035546 Ni 10.52532831 1.76488673 12.21951735 -0.35040006 -0.24731822 0.30034884 Ni 0.00292601 3.48576688 10.49115224 0.01165722 -0.24262769 -0.17676245 Ni 1.77608023 5.21745370 10.50604454 -0.27179186 0.19989430 -0.68046741 Ni 1.77282454 3.49069087 12.21896183 -0.21410968 -0.26603890 0.17529201 Ni 0.02698486 5.23136483 12.21887132 0.22916582 0.11116943 -0.22453307 Ni 3.51552086 3.46165601 10.42751686 -0.25915465 0.34466604 0.42033626 Ni 5.22239796 5.25856708 10.49030148 0.19185888 -0.13881613 -0.31149102 Ni 5.22483853 3.47129838 12.19434033 0.08312149 0.41549273 0.44996165 Ni 3.47423220 5.22822152 12.19067012 0.31848517 0.08602738 0.45310815 Ni 7.01564183 3.53229687 10.50261557 -0.42358514 -0.23613522 -0.51275059 Ni 8.71140751 5.23616001 10.47187952 0.66695387 -0.07932269 -0.05404073 Ni 8.73460640 3.46449066 12.21179274 0.25995934 0.13148945 0.31263338 Ni 6.99515938 5.23785654 12.21781281 -0.16385292 -0.10477655 0.48932214 Ni 10.51686970 3.46783388 10.45703391 -0.40300923 0.17916223 0.10492105 Ni 12.24120737 5.21648921 10.50163797 0.28361221 0.25236040 -0.37086550 Ni 12.25087695 3.48977229 12.19160933 -0.05373308 -0.08567359 0.00016761 Ni 10.50787089 5.20974411 12.20421591 -0.36665191 0.08753279 0.22662869 Ni 0.03241784 6.99466129 10.45624137 -0.27589588 -0.35352304 0.10044807 Ni 1.71878860 8.70772883 10.48544338 0.31129483 0.43787246 -0.01423199 Ni 1.77061730 6.99818115 12.23412443 -0.30053873 -0.19859019 0.27670303 Ni 0.00692647 8.71985652 12.22426384 0.20437108 0.09058371 -0.21975378 Ni 3.46750162 7.00385725 10.45092215 0.18225684 -0.20022539 0.15154636 Ni 5.27355391 8.69755623 10.46301315 -0.25864961 0.57422887 0.19573137 Ni 5.25695142 6.98228162 12.21886193 -0.26756696 -0.12352398 0.29008062 Ni 3.49236074 8.69761625 12.20385556 0.29960143 0.39292276 0.18388759 Ni 6.99876440 6.97476764 10.48594483 -0.32471980 -0.17394403 -0.18858554 Ni 8.71679593 8.70617911 10.46480712 0.33074179 0.25793660 0.10209609 Ni 8.70113575 6.97861880 12.20412270 0.41221480 -0.10545666 0.39686708 Ni 6.96778027 8.71148720 12.23599807 0.21729362 0.33983392 0.16050476 Ni 10.51732825 7.00498844 10.48963627 -0.36206395 -0.40518919 -0.35191304 Ni 12.23081115 8.75965172 10.44353946 0.28627133 -0.05925044 0.43171099 Ni 12.21498853 6.95692611 12.23820458 -0.14961385 0.22835043 -0.28527197 Ni 10.45070564 8.70980906 12.18911764 0.36889711 0.18347339 0.35890764 Ni 0.02296502 10.48522665 10.47238903 -0.19614769 0.12887877 0.25216813 Ni 1.75495742 12.22702477 10.45828937 -0.06681703 0.03691770 0.22292108 Ni 1.77884996 10.45449798 12.24715876 -0.26131405 0.27431515 -0.04403484 Ni 0.00619883 12.22708162 12.22356711 0.73038980 -0.69870720 -0.65685029 Ni 3.51180364 10.49568116 10.46547959 -0.40291851 -0.35694684 0.42840831 Ni 5.22718939 12.21038567 10.47364687 0.21156331 0.48396975 0.07303329 Ni 5.26732817 10.50048300 12.21651610 -0.14753905 -0.26642682 0.12596920 Ni 3.50390081 12.22401907 12.22006193 -0.09577027 -0.22972557 -0.22208018 Ni 7.01886619 10.48449074 10.45462865 -0.31630258 -0.09144723 0.39370926 Ni 8.73932981 12.22299769 10.46472778 -0.00330633 0.28016110 0.30367370 Ni 8.76500285 10.46462666 12.25068375 -0.24651252 0.24981613 -0.09598296 Ni 6.96562870 12.25417939 12.21642822 0.22189081 -0.39411156 -0.36064953 Ni 10.48468361 10.48877240 10.44962875 0.13347145 -0.05518741 0.49875911 Ni 12.24860279 12.24429009 10.47411298 -0.49222985 -0.54174243 0.04941945 Ni 12.22580962 10.46113008 12.23305450 -0.50909358 0.06791987 -0.51186516 Ni 10.51194660 12.23560626 12.23070334 -0.04850285 -0.49853731 -0.52975581