108 Lattice="10.316757336205377 0.0 0.0 0.0 10.316757336205377 0.0 0.0 0.0 10.316757336205377" Properties=species:S:1:pos:R:3:forces:R:3 energy=-315.40934834956715 stress="117.48928432893325 -13.287872900004729 26.659673616432286 -13.287872900004729 37.79651681507273 -28.75774100839192 26.659673616432286 -28.75774100839192 106.04190684678849" pbc="F F F" Ni 0.02678685 0.00106591 0.03389195 -5.01184724 -3506.44273804 -3505.32500635 Ni 1.71430359 1.69474775 0.02163796 0.55580739 0.43128110 -0.58199593 Ni 1.71160221 0.01867695 1.68666461 2.38016305 1.44351494 0.54618685 Ni 0.01918213 1.77012640 1.68841060 -0.68731978 -0.47177034 0.49849843 Ni 3.46672809 0.04170522 0.02305168 -1302.98416580 11.13252689 -1321.03630763 Ni 5.18083891 1.74246874 0.03061737 -0.29535333 -0.16399944 -0.85087851 Ni 5.13554835 0.04984735 1.76650397 0.37813105 -0.88214225 -0.21326731 Ni 3.44512718 1.71724193 1.73881756 -0.15215590 -0.05685904 -0.31560563 Ni 6.88527728 0.01575237 0.02614216 -0.34758964 -0.09229977 0.23541926 Ni 8.59079401 1.73346287 0.01754953 -1752.22483245 1759.97583868 -5.48685307 Ni 8.62539111 0.02823075 1.72522148 -0.47556260 0.15544339 0.47642665 Ni 6.85690257 1.72695464 1.66694817 -0.09550028 -0.30974962 1.19294726 Ni 0.00749924 3.43965771 0.02268541 5953.15937885 -81.42572545 5899.51826118 Ni 1.75863438 5.17203730 0.04870842 0.18365315 0.09490125 -0.82316337 Ni 1.76513708 3.42190671 1.75842668 -0.23838816 0.22662060 -0.47951685 Ni 0.03723958 5.17388285 1.72153190 -0.74209459 -0.13512549 0.20635336 Ni 3.47045514 3.45220830 0.02376997 -0.43197682 -0.37711323 -0.79976911 Ni 5.17823199 5.16014845 0.00826672 9029.77689950 -1859.54108462 7345.69555663 Ni 5.12552980 3.43456962 1.73352466 -1.63095978 -2.08818307 0.11229457 Ni 3.41636933 5.13280613 1.75165717 -12809.66647275 7191.96324603 5712.94696472 Ni 6.91760612 3.40750845 0.01686980 38.36799870 2343.77726893 -2380.92034787 Ni 8.60187304 5.16691191 0.02081122 -0.26156671 -0.01598283 0.16990888 Ni 8.58937112 3.37665304 1.73688317 0.74158004 0.64329632 -0.05610461 Ni 6.81246996 5.13557198 1.67489745 0.64865670 0.35360771 0.65593809 Ni 0.03207911 6.87638507 0.02862089 2808.09855643 21.13676009 2804.47418247 Ni 1.70445689 8.59504085 0.03130931 0.40975196 -0.04002954 -0.07807885 Ni 1.68520961 6.89429322 1.71398426 0.94681355 -0.28679394 0.53760492 Ni 0.01716013 8.57173425 1.70106824 7065.81048102 -7148.47337132 105.43112659 Ni 3.41753960 6.86113255 0.02492676 7.63738842 7.70804972 -0.43011475 Ni 5.19488240 8.56490569 0.02240700 -0.65678267 -0.23326610 -0.14078149 Ni 5.16305951 6.90751059 1.73709074 -0.26608602 -0.50949035 0.02241370 Ni 3.42480807 8.60840172 1.69635685 -269.33883553 -1.02487338 270.33236165 Ni 6.86624174 6.90580288 0.02080551 -3148.23376080 -3.49423017 3161.90234190 Ni 8.59615362 8.61789422 0.05399013 -0.51385892 -0.46978440 0.41030496 Ni 8.57382985 6.87080998 1.67127897 0.29905174 -0.07676223 0.41752234 Ni 6.83596127 8.61650352 1.69291085 7.76595499 0.60009997 -7.18552588 Ni 0.03129985 0.00545886 3.46210392 0.01525023 0.16568521 -0.40568390 Ni 1.70358139 1.72553621 3.37986020 0.27369798 -0.41453159 0.48795023 Ni 1.70153582 0.02185267 5.15047116 11.30347110 -0.41820934 10.85000369 Ni 0.02680348 1.71002637 5.17056566 -0.70071916 -6.12841305 -6.08309583 Ni 3.43712396 0.02259253 3.45227901 0.12205336 -0.93618918 0.17277036 Ni 5.14504894 1.74341097 3.46127839 -5.15405041 0.02929324 -6.18918668 Ni 5.12343777 0.02185367 5.17454444 2937.31147786 -2901.55785749 31.64372214 Ni 3.44551107 1.68204931 5.12300956 -0.53794073 0.76595294 0.73275855 Ni 6.86142668 0.01282115 3.46503162 1264.23858416 -2352.47851459 3702.94956949 Ni 8.56343982 1.72997058 3.44139210 0.41076630 -0.30779149 0.08857005 Ni 8.55685408 0.03085155 5.16360823 0.40128449 -0.30083746 0.02007961 Ni 6.84448141 1.69875280 5.19826784 -3.21598549 -401.08824070 -399.39788404 Ni 0.03116470 3.42307328 3.45431410 -28.65128724 -2922.92410209 9974.64427772 Ni 1.66278948 5.15930683 3.47233373 1.20390660 0.13207709 -0.42022568 Ni 1.68101057 3.42138588 5.13764671 -2935.89217453 2900.20827568 -31.04205927 Ni 0.01939367 5.15784991 5.19252027 4404.98752659 4896.51601270 -12022.53896302 Ni 3.44429312 3.39691794 3.42445009 -5961.37544183 55.86704873 -5880.29605547 Ni 5.12752053 5.15463930 3.49969134 134.58707661 -7368.05673581 7419.75094304 Ni 5.14304654 3.44603414 5.17614141 -5.91698235 1516.20529949 1518.00052638 Ni 3.48436124 5.11743574 5.14613058 -4184.60495881 -4221.24414915 34.46818624 Ni 6.89145304 3.44802358 3.38989717 -0.63543526 -0.29311975 0.39915920 Ni 8.58200012 5.11360912 3.44244072 -7276.09610477 99.98624983 -7342.53649519 Ni 8.59950044 3.42054111 5.16043470 0.41544161 -0.16464299 -0.01099539 Ni 6.87166517 5.16212692 5.11547726 -0.15755020 -0.07329010 0.65188632 Ni 0.03754430 6.88002779 3.46812528 -1.04838969 -0.02512021 -0.24283797 Ni 1.67215350 8.60299733 3.39766953 0.68631513 0.49682963 0.31602751 Ni 1.71521164 6.84798889 5.15644127 2.50052275 -1.64882743 0.10950994 Ni 0.01127804 8.59058018 5.11798422 269.69575254 1.26427390 -269.55734958 Ni 3.45483111 6.90238358 3.44721846 339.65168283 -18.45978736 -5967.50396958 Ni 5.19786252 8.58871805 3.43961196 2203.81038080 -21.11768893 2222.99529204 Ni 5.15187515 6.90747606 5.17059870 3398.44876259 -39.95196741 3413.00317603 Ni 3.47714593 8.57420500 5.16414027 -1458.88105697 22.71274145 1430.01867382 Ni 6.89054107 6.88732034 3.39970340 -0.09693749 -0.48795289 -0.22173718 Ni 8.60848302 8.56606426 3.42616920 -0.10538995 -0.15387419 -0.30953975 Ni 8.56203707 6.84115275 5.15774802 0.74760192 0.00618788 0.14167933 Ni 6.88996123 8.55413573 5.11832443 4183.72930688 4222.96509856 -33.67497713 Ni 0.01437091 0.01447829 6.88446693 31.30728620 6428.96779526 -6470.28387561 Ni 1.71345965 1.74098249 6.91419609 6158.56479059 6033.49191328 -48.45244861 Ni 1.68068950 0.05922695 8.59398874 96.44996110 92.37627532 0.30850780 Ni 0.02780201 1.72299682 8.59775631 11.70077044 -4933.46043017 4891.82712513 Ni 3.40000587 0.03424186 6.89307491 0.25476128 18.05258927 -19.40612509 Ni 5.18952209 1.74772153 6.93087395 -134.62198508 7368.15640894 -7421.71062846 Ni 5.15387601 0.06001557 8.53227333 -10.86969706 -0.60070654 -10.47314703 Ni 3.44983142 1.71102899 8.61573156 1370.30264129 1368.87756971 -3.76070809 Ni 6.86005871 0.01481665 6.85854843 0.18782588 -0.86642142 0.08585077 Ni 8.55838109 1.74064653 6.87904356 6.85525107 -0.08427089 5.87089192 Ni 8.61994974 0.04520167 8.57256829 -43.78001503 42.53943715 -0.18842811 Ni 6.87734753 1.71186354 8.53762806 0.39327385 0.13628365 1.22051085 Ni 0.00257354 3.46013817 6.85552291 -0.63990174 -0.39365976 0.37261879 Ni 1.67476183 5.14958727 6.85826296 1.24534532 -0.02511770 0.26690741 Ni 1.75851412 3.48553857 8.60993243 -0.10235993 -0.15336747 0.26585372 Ni 0.00991363 5.16395566 8.54778054 -1230.97995955 -1226.81353877 -13.82943598 Ni 3.49442247 3.43524150 6.84696060 -1.11343996 -0.19625581 0.20845199 Ni 5.16776019 5.12513388 6.88733866 -6158.04845200 -6032.30982717 47.73246283 Ni 5.15775362 3.41710408 8.59988079 -52.64008068 -134.60755307 0.42916033 Ni 3.45320642 5.14622114 8.59570902 1324.79606148 -4.13489258 1313.35275841 Ni 6.89741999 3.42413391 6.88345124 -0.23425637 -1.74619015 -2.38447347 Ni 8.58868586 5.10918639 6.88464317 0.40636941 0.40587048 -0.35459586 Ni 8.62466948 3.47716536 8.60648509 -0.14378969 -0.48457414 -0.09143045 Ni 6.87283633 5.12897878 8.60415338 -1367.50310897 -966.74293119 404.31306375 Ni 0.01394534 6.84869073 6.89077536 -0.42147223 0.50661425 -0.21194572 Ni 1.74947849 8.58417416 6.92056775 -0.23993927 0.41090292 -0.59209615 Ni 1.71761395 6.85679314 8.61723460 0.24617371 -0.18643576 0.29167650 Ni 0.02335802 8.62537252 8.55146100 1450.88997070 -21.90365706 -1423.07065899 Ni 3.37995840 6.90061655 6.84729062 0.45476867 -0.91197461 0.55273229 Ni 5.11699141 8.58629239 6.85927557 0.48858342 0.58273552 0.62827294 Ni 5.13369391 6.86384127 8.60296469 4.13276513 -1514.09101352 -1518.09029940 Ni 3.42532791 8.58483639 8.60348881 1231.04185846 1232.67429770 20.01733095 Ni 6.84147786 6.88872995 6.88760917 -0.11605950 -0.28310027 -0.26295887 Ni 8.60178203 8.55494357 6.87323209 -2204.41360530 21.77465407 -2223.60824230 Ni 8.56392202 6.86813230 8.59746850 -3397.65503153 39.07603346 -3412.58776663 Ni 6.90077543 8.59635197 8.62029301 -0.57091831 -0.15372706 -0.45791479