108 Lattice="10.454016495818058 0.0 0.0 0.0 10.454016495818058 0.0 0.0 0.0 10.454016495818058" Properties=species:S:1:pos:R:3:forces:R:3 energy=-417.95715919508916 stress="-0.009889572214750338 -2.1476273222495768e-05 0.00013037561303773536 -2.1476273222495768e-05 -0.010946489793884817 -0.0003405547285160999 0.00013037561303773536 -0.0003405547285160999 -0.010450505779399677" free_energy=-417.95715919508916 pbc="F F F" Ni 0.01057918 0.01652406 0.00496970 0.30230569 0.16418871 0.23350869 Ni 1.74713574 1.73406338 0.01245086 0.19357095 0.30473733 -0.63253308 Ni 1.77291309 0.01982758 1.73597951 -0.05640948 -0.53882842 0.34906993 Ni 0.00608673 1.73278849 1.70675598 -0.51451068 0.18321733 0.33377892 Ni 3.46949950 0.03704601 0.01859921 0.15113004 -0.22304043 -0.04979325 Ni 5.20939993 1.71573308 0.00014995 0.15622865 0.44338969 -0.23719410 Ni 5.24785246 0.00018390 1.77112840 -0.32177063 -0.37003454 -0.09959491 Ni 3.45159848 1.77876675 1.76182826 0.51699856 -0.27124682 -0.01220164 Ni 6.98626799 0.01597238 0.03271977 -0.42727644 -0.18677541 -0.20058358 Ni 8.70126877 1.73290262 0.01952093 0.05924218 0.59479958 -0.10891319 Ni 8.72663747 0.03210779 1.71749891 -0.08174310 -0.19714153 0.54070252 Ni 6.95999000 1.73494697 1.70758061 0.07175374 0.35257582 0.62111138 Ni 0.01340221 3.48024524 0.00994151 -0.23040557 -0.11716144 -0.22076419 Ni 1.72214514 5.19801069 0.01977226 0.39680137 0.29995414 -0.66515614 Ni 1.72728291 3.45639610 1.70762853 0.39696558 0.38680906 0.65812120 Ni 0.03043516 5.19257933 1.75659372 -0.55749453 0.36945886 0.15775767 Ni 3.50676799 3.49607871 0.02456057 -0.14046509 -0.19329489 -0.60139416 Ni 5.23377703 5.21710247 0.03224953 -0.11992114 0.28739262 -0.50657415 Ni 5.23656391 3.48307743 1.76590973 -0.11226628 -0.17264543 -0.09710723 Ni 3.46502764 5.22590776 1.72592875 0.10324871 -0.08838197 0.32115055 Ni 6.96515622 3.50937512 0.02414672 -0.17252874 -0.44552755 -0.46962410 Ni 8.69124852 5.19725711 0.03471605 0.19264602 0.18934500 -0.19920420 Ni 8.74346734 3.49804314 1.76780239 0.17997381 -0.24027673 0.08836799 Ni 6.95573985 5.20830151 1.74535375 0.05897225 0.34747721 0.25828773 Ni 0.02414952 6.99874114 0.00579038 -0.07499850 -0.61026905 -0.13804935 Ni 1.76851926 8.71316304 0.04048990 0.16156254 0.16169370 -0.19626678 Ni 1.72201722 6.94845674 1.70958021 0.37186670 0.01956281 0.61018749 Ni 0.01140873 8.66452473 1.72197373 -0.03657557 0.26656579 0.55380779 Ni 3.48420792 6.99860052 0.01327311 -0.09770635 -0.70913212 -0.51317165 Ni 5.19600594 8.69407126 0.00251977 0.31786175 0.08175889 -0.10001634 Ni 5.20531003 6.99515153 1.76883776 0.27289964 -0.54306713 -0.12252234 Ni 3.49829411 8.69357443 1.73215458 -0.28678626 0.51928909 0.58782577 Ni 6.97325516 6.95269651 0.03000594 -0.32960187 -0.11461802 -0.55886913 Ni 8.72419929 8.69137148 0.01126803 -0.33227790 -0.24056342 0.21497503 Ni 8.70558366 6.97119110 1.71156891 0.41752592 -0.22794022 0.61175634 Ni 6.95955927 8.67879727 1.71756397 -0.04130147 0.57192826 0.31843145 Ni 0.00695874 0.03426746 3.46773422 -0.08249748 -0.13589586 -0.04215861 Ni 1.70826558 1.75470534 3.45329206 0.50867405 0.08209207 0.51680148 Ni 1.74571256 0.00705762 5.20459947 0.19809641 -0.44577472 0.16196292 Ni 0.00563010 1.71709962 5.25941666 -0.28322769 0.59108645 -0.24505593 Ni 3.50583238 0.01829636 3.51340090 -0.22160802 -0.36653352 -0.22907548 Ni 5.22221469 1.73195226 3.45723583 0.20723432 0.23692646 0.43607914 Ni 5.23296047 0.00242196 5.25017756 -0.00173730 -0.25478614 -0.09282916 Ni 3.45717594 1.74917896 5.26153118 0.28429146 0.10018773 -0.53208580 Ni 6.94795086 0.00242801 3.50954024 0.15714468 -0.30672562 -0.22457643 Ni 8.72734023 1.71460401 3.45319338 0.15795842 0.47460451 -0.00688106 Ni 8.74360328 0.05772734 5.19418028 -0.01061293 -0.20169020 0.16692493 Ni 6.98416871 1.76092680 5.22954284 -0.14852469 -0.06548552 -0.13045515 Ni 0.01431906 3.46749342 3.46390334 -0.43466548 0.12017595 0.37561377 Ni 1.77599255 5.23619883 3.51773360 -0.33244998 -0.25129793 -0.45450542 Ni 1.76635663 3.51394211 5.23079874 -0.28859377 -0.50375877 -0.15812279 Ni 0.01129291 5.25442496 5.25466094 -0.52515820 -0.15072076 -0.33949570 Ni 3.51795302 3.47074866 3.51623058 -0.52789951 0.15392085 -0.34722293 Ni 5.22011063 5.21757956 3.45993921 0.07067501 0.18251711 0.28041560 Ni 5.25621632 3.47156277 5.20098044 -0.35636792 0.13192760 0.19558280 Ni 3.47794821 5.24819374 5.24054268 0.20110565 -0.16550796 -0.16631176 Ni 6.99166506 3.50464095 3.49009382 -0.22636537 -0.49494698 -0.21307034 Ni 8.68026017 5.24039184 3.50383836 0.73399070 0.05129891 -0.25810422 Ni 8.72689001 3.46245664 5.20781171 0.37431660 0.08017228 0.15019593 Ni 6.97616160 5.22408253 5.21823287 -0.13963916 0.02660078 0.11585639 Ni 0.00986148 6.97246177 3.48435530 -0.40320826 -0.34242904 -0.13115253 Ni 1.74799483 8.69710925 3.51846208 0.27078688 0.44010630 -0.60266581 Ni 1.71852683 7.00307681 5.22061993 0.43125272 -0.47640721 0.18095011 Ni 0.01534501 8.71304425 5.20735171 -0.16011226 0.07707838 0.27842611 Ni 3.46762799 6.93491598 3.47170828 0.16981576 0.42434477 0.15602515 Ni 5.24287787 8.72171387 3.47380915 -0.14381602 0.27430041 0.18159994 Ni 5.23368003 6.94385543 5.21672242 -0.00464424 0.33135661 0.12875651 Ni 3.49260170 8.72112704 5.23719969 0.27090516 0.15267004 -0.13777715 Ni 6.98340267 6.96855218 3.48418884 -0.33875123 -0.12462275 -0.20101598 Ni 8.68906714 8.72679189 3.50961086 0.14771199 -0.00776710 -0.51639823 Ni 8.70049839 6.99661435 5.20722733 0.56831439 -0.44778410 0.24087865 Ni 7.00284532 8.70640727 5.19445763 -0.63526329 0.36632926 0.51480716 Ni 0.01849568 0.02680936 6.97049447 0.01535128 -0.18116744 -0.16245435 Ni 1.76437925 1.72302309 6.95631958 -0.13281894 0.49534562 0.06836508 Ni 1.77521838 0.02665324 8.69981273 0.15725981 -0.28719122 0.07349883 Ni 0.06330239 1.72657853 8.72491082 -0.14479788 0.45197622 -0.09696913 Ni 3.51110660 0.02490765 6.98727319 -0.25774960 -0.64846107 -0.50143456 Ni 5.21008785 1.77058788 6.94201781 0.33319704 -0.06891090 0.13017861 Ni 5.20291700 0.05315502 8.69079093 0.51649722 -0.17657935 0.08740235 Ni 3.48256476 1.71946967 8.71177254 -0.12183713 0.74818808 0.40980896 Ni 6.99576467 0.00884426 6.93871501 -0.29663914 -0.18565227 0.10239900 Ni 8.73524950 1.73831632 6.96496751 0.19975876 0.34493770 -0.02609346 Ni 8.70799706 0.00235843 8.70491856 -0.36485368 0.37354428 -0.33185094 Ni 6.98283405 1.77207713 8.70873581 -0.25395200 -0.08157222 0.14336138 Ni 0.02834846 3.51116485 6.96749537 -0.53847583 -0.54074019 -0.24540002 Ni 1.73740500 5.20884383 6.94268092 0.27230432 0.43689644 0.23290201 Ni 1.72158395 3.51159621 8.70424602 0.64540021 -0.31070551 0.44084598 Ni 0.02292506 5.19618986 8.69449740 -0.23134169 0.34305211 0.12686046 Ni 3.46829110 3.50437871 6.98198521 0.12439767 -0.17138378 -0.18859238 Ni 5.21306226 5.20581049 6.93984724 0.19651275 0.34763293 0.16443100 Ni 5.20873771 3.48113721 8.67852138 0.13527726 -0.03672988 0.62924082 Ni 3.51515710 5.24791702 8.73660763 -0.28846234 -0.16954871 0.24823629 Ni 6.94943677 3.49313738 6.96360477 0.29272782 -0.15389072 -0.21436771 Ni 8.71491946 5.22377265 6.95726032 0.46597284 -0.03013701 -0.30423052 Ni 8.69378888 3.50835791 8.70560290 0.17053960 -0.19815951 -0.03576718 Ni 6.97920344 5.20235380 8.69112870 -0.44010619 0.22052772 0.43536579 Ni 0.01726432 6.98853599 6.99329615 -0.37117741 -0.19123852 -0.31287691 Ni 1.79408803 8.70891494 6.93712239 -0.32150588 0.43123936 0.09026437 Ni 1.74515310 6.94033794 8.69203664 0.14585987 0.07806006 0.46682083 Ni 0.03234478 8.72123210 8.69033795 0.42476181 -0.24976812 -0.29534198 Ni 3.45725070 6.94576638 6.97978330 0.49291384 0.18719728 -0.22050309 Ni 5.25319995 8.71485467 6.97954167 -0.03122530 0.06724274 -0.33124469 Ni 5.23391910 6.96699657 8.71203939 0.07785710 -0.11840236 0.16090113 Ni 3.45968621 8.73040733 8.69307410 0.14483178 -0.18963679 0.00467656 Ni 7.00400393 6.93561671 6.96643421 -0.46215477 0.30977407 -0.09231754 Ni 8.72977494 8.70888033 6.96431357 -0.19523775 -0.18299572 -0.14592409 Ni 8.71149755 6.93567659 8.72306097 -0.05250242 -0.12783572 -0.12954921 Ni 6.98298987 8.69450257 8.71997446 -0.18122894 -0.14466872 -0.16186475