108 Lattice="10.428450486781628 0.0 0.0 0.0 10.428450486781628 0.0 0.0 0.0 10.428450486781628" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.3609036876919 stress="-0.009195609175335488 -0.0012112190355901358 0.0008494543212505867 -0.0012112190355901358 -0.009762929627131425 -9.845656338587035e-05 0.0008494543212505867 -9.845656338587035e-05 -0.00952869543313234" free_energy=-413.3609036876919 pbc="F F F" Ni 0.02623719 0.02012918 0.03003980 0.15946881 0.22622310 0.21916585 Ni 1.71889698 1.71145882 0.00500780 0.23335991 0.26891260 -0.57732616 Ni 1.73179795 0.00598666 1.70755794 -0.11617293 -0.49132219 0.46396616 Ni 0.01962113 1.74779474 1.71802091 -0.58394337 -0.22689946 0.27715016 Ni 3.48935638 0.03019760 0.02821955 -0.09546012 -0.16882774 -0.15309078 Ni 5.21724935 1.71371252 0.01965193 -0.02096757 0.30752532 -0.54196978 Ni 5.24095714 0.03087129 1.71401664 -0.25858613 -0.72665481 0.37696193 Ni 3.45207338 1.71471404 1.74767481 0.15401238 0.48170435 0.11435130 Ni 6.93361559 0.02013388 0.00588005 0.40860210 0.19219125 0.24959125 Ni 8.67800389 1.75338780 0.03058546 -0.28536198 -0.07855767 0.34900324 Ni 8.71284148 0.00435189 1.77011883 -0.50558293 0.30819886 -0.18544584 Ni 6.94139331 1.74380947 1.76807953 0.59399616 -0.03504247 -0.52045165 Ni 0.03143591 3.47886852 0.00764372 -0.15698913 -0.10608779 -0.15561831 Ni 1.73958479 5.19112356 0.03317108 0.21814337 0.30583666 -0.54657076 Ni 1.71094765 3.46791508 1.72754300 0.66124737 -0.15035720 0.27137181 Ni 0.02530052 5.19125421 1.72983434 -0.58526693 0.46590263 -0.14929881 Ni 3.49032710 3.45757502 0.00877593 -0.25897463 -0.13031064 -0.30559650 Ni 5.18384678 5.20771203 0.00992330 0.20505714 0.09541857 -0.39331593 Ni 5.23163127 3.48215265 1.71094726 -0.17314611 -0.11506207 0.60953386 Ni 3.48930801 5.18097415 1.77158743 -0.21955701 0.39436221 -0.39579382 Ni 6.92606139 3.46284801 0.03068869 0.37271592 -0.02885308 -0.58474918 Ni 8.67754477 5.18799432 0.03273798 -0.03376246 0.11113301 -0.06559837 Ni 8.71497693 3.49528005 1.76606900 0.14418238 -0.25347553 -0.05836258 Ni 6.95810729 5.20765574 1.71516122 -0.23680117 0.06506506 0.64060611 Ni 0.00848028 6.96215961 0.00336573 0.30304068 -0.08581087 0.34273764 Ni 1.71636149 8.69741202 0.00971626 0.08082435 -0.27129215 0.19674830 Ni 1.77236167 6.96759321 1.71817145 -0.40068197 -0.10236294 0.21352470 Ni 0.00146414 8.67525790 1.75751283 0.22758378 -0.23249317 -0.09966878 Ni 3.50039540 6.93781583 0.03475198 -0.19627964 0.09164562 -0.70264022 Ni 5.22264326 8.71983841 0.01745939 0.09958529 -0.29526437 0.15087621 Ni 5.18456669 6.97216399 1.76833171 0.41209687 -0.42249328 -0.35640513 Ni 3.48103810 8.65765933 1.70911057 -0.19979227 0.79492729 0.28709587 Ni 6.92781759 6.92851778 0.03222079 0.19943864 0.36315506 -0.37648360 Ni 8.67072211 8.68174998 0.00061752 -0.62866147 -0.63174811 0.60589224 Ni 8.71310829 6.94803567 1.74450659 0.08002484 0.21583236 -0.02752585 Ni 6.95180464 8.67517137 1.75247523 0.37769298 0.25654447 -0.16829832 Ni 0.01028446 0.01567246 3.50811561 0.15588725 0.15007667 -0.21933156 Ni 1.71828110 1.74065643 3.49723227 0.15083872 0.25982103 -0.32879979 Ni 1.75990646 0.03125094 5.21364082 -0.19119122 -0.51759684 0.19149486 Ni 0.00918538 1.75781790 5.22521796 -0.35147772 -0.03037920 0.02902138 Ni 3.46110371 0.00986507 3.47966052 0.18214281 -0.33090158 -0.17419577 Ni 5.24255665 1.74586399 3.44478423 -0.69160502 0.17172732 0.25878859 Ni 5.21743874 0.03241726 5.19496953 -0.41536624 -0.47494092 0.13259393 Ni 3.46683432 1.77835091 5.19041833 0.24654397 -0.12627250 0.26299494 Ni 6.93084646 0.03384967 3.49148142 0.27120013 -0.83234127 -0.24998555 Ni 8.66646298 1.71677501 3.47965972 0.62542073 0.31779651 -0.07088209 Ni 8.69428224 0.04197606 5.18509606 -0.08321737 -0.07732705 0.26701325 Ni 6.93731221 1.72125785 5.21021411 0.18856726 0.49645436 0.26524731 Ni 0.00233800 3.50102736 3.44527904 -0.34755205 -0.11811363 0.43814409 Ni 1.73962585 5.24780897 3.45543117 0.20569957 -0.46029624 0.13069250 Ni 1.73333651 3.50968399 5.22614290 0.22968931 -0.30225345 -0.47390799 Ni 0.02392598 5.24580682 5.23565263 -0.74151434 -0.16362806 -0.40322849 Ni 3.50288014 3.49958501 3.44503406 -0.48625772 -0.39921123 0.25974901 Ni 5.18536431 5.24624642 3.49456749 0.66399948 -0.58650851 -0.26894183 Ni 5.19613322 3.49092928 5.19101878 0.18013622 -0.18124220 0.32775731 Ni 3.47421716 5.22957643 5.22024018 -0.19401836 -0.22357275 0.07966169 Ni 6.96219513 3.44693022 3.49974506 -0.22300895 0.68647783 -0.17877463 Ni 8.67476995 5.22148099 3.49736570 0.34986738 -0.08211634 -0.20914386 Ni 8.68122214 3.48341154 5.23381867 0.45534496 -0.21634241 -0.14722336 Ni 6.96412776 5.23646855 5.23316802 -0.45843162 -0.28093505 -0.12409029 Ni 0.01281747 6.92724188 3.45616882 -0.45394151 0.20936000 -0.14212247 Ni 1.71945007 8.71346884 3.48439965 0.30601718 0.07578342 -0.16745787 Ni 1.71640669 6.93810884 5.19716285 0.49932174 0.38086807 0.30367778 Ni 0.00542498 8.65719885 5.17967246 0.08683530 -0.12047549 0.30137130 Ni 3.49182222 6.94499268 3.49872595 -0.40942339 0.46139880 -0.05019786 Ni 5.22243003 8.70030733 3.44243698 -0.21962607 0.39537099 0.43363059 Ni 5.22788909 6.93867959 5.21189296 -0.28713012 0.34463194 0.42416863 Ni 3.46763391 8.71656862 5.24176846 0.06129825 -0.03647594 -0.22725486 Ni 6.91811424 6.92608557 3.48451186 0.52823364 0.27235891 -0.32265595 Ni 8.70118521 8.69307840 3.50682925 -0.30189817 -0.36827572 -0.15513025 Ni 8.68781124 6.92474697 5.21220128 0.31925352 0.47389117 0.08427879 Ni 6.95119043 8.66560571 5.19563457 -0.05307586 0.33682676 0.23502302 Ni 0.02543624 0.03491727 6.98292465 -0.02960213 -0.06820095 -0.33759709 Ni 1.74544157 1.70970982 6.97607305 -0.06348230 0.59991078 -0.35097621 Ni 1.71137831 0.02843071 8.69058008 0.27393872 -0.08929820 0.06670923 Ni 0.02533386 1.73026137 8.67667046 -0.00640035 0.38130001 -0.07055056 Ni 3.47647813 0.02317344 6.97078448 0.18715427 -0.43855594 -0.10990027 Ni 5.24736591 1.70990700 6.97698385 -0.60778087 0.61051771 -0.37901904 Ni 5.23663104 0.01420734 8.72103469 -0.08698480 0.04035617 -0.17378045 Ni 3.47681420 1.73421878 8.68645238 -0.01945804 -0.04120535 0.50012878 Ni 6.93390249 0.02103509 6.92673070 0.55788107 -0.70986864 0.27627909 Ni 8.71086288 1.74014273 6.96966131 0.17312855 -0.21887809 -0.13603956 Ni 8.70059439 0.02214524 8.71755691 -0.59516983 0.50854622 -0.65801415 Ni 6.96810711 1.70520868 8.65903137 0.15721843 0.21455270 0.56180509 Ni 0.01993318 3.50812008 6.92444301 -0.57432532 -0.39235385 0.49522080 Ni 1.70523608 5.19440117 6.94762087 0.60975823 0.45680640 0.31164629 Ni 1.74245594 3.49176096 8.68428947 -0.22273836 -0.17487816 0.45138642 Ni 0.00250329 5.22303095 8.71914321 0.13836096 -0.07016366 -0.21948321 Ni 3.44684318 3.47139115 6.96571645 0.37903194 -0.18418080 -0.29560864 Ni 5.19316958 5.18067951 6.97125172 0.25117538 0.26319624 -0.20513508 Ni 5.20634141 3.44381517 8.71419439 0.21940041 -0.07884652 0.19088448 Ni 3.49881813 5.18151119 8.68661160 -0.19125601 0.23101123 0.50678604 Ni 6.94851681 3.49253056 6.91948629 -0.07184040 -0.30257485 0.37652280 Ni 8.68970834 5.23104737 6.93603219 0.30301287 -0.14692581 0.44563000 Ni 8.67274118 3.44853255 8.67887168 -0.18962532 0.21568575 -0.17416049 Ni 6.92225718 5.19497338 8.69784596 0.22753282 0.09247660 0.22986676 Ni 0.02851435 6.94697349 6.97844492 -0.48685584 0.35463047 0.12909529 Ni 1.75865380 8.67257262 6.97640249 -0.42996351 0.28289843 -0.21825942 Ni 1.75092555 6.92667641 8.69252791 -0.11510631 0.15287658 0.42543718 Ni 0.02610348 8.71608212 8.69338008 0.63036087 -0.66853281 -0.55708641 Ni 3.48124851 6.91914586 6.96904180 -0.10240750 0.21548739 -0.24349807 Ni 5.17921267 8.70495030 6.97568502 0.35476576 0.16858879 -0.10470873 Ni 5.19687544 6.98264718 8.71819713 0.08934721 -0.10019335 0.23616728 Ni 3.44475414 8.70071765 8.66631266 0.05608809 -0.11780618 0.11896976 Ni 6.92730392 6.95301175 6.98376759 0.12465806 0.18222539 -0.01466339 Ni 8.68051384 8.69176729 6.92856294 -0.35467982 -0.42501215 0.12243816 Ni 8.69338989 6.92844983 8.67826525 -0.39674987 0.17222762 -0.29382049 Ni 6.96494892 8.70713496 8.70256844 0.03896612 -0.41111947 -0.41902297