108 Lattice="7.675560028345647 0.0 0.0 0.0 7.675560028345647 0.0 0.0 0.0 7.675560028345647" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3414.8805709433045 stress="-3.639277412409383 -0.12893835639632367 0.16921399099476553 -0.12893835639632367 -3.4919812869318028 0.035922333169505945 0.16921399099476553 0.035922333169505945 -4.021220862925093" free_energy=-3414.8805709433045 pbc="F F F" Ni 0.02679851 0.02514867 0.01351031 24.32392910 26.59352459 23.05317681 Ni 1.30183537 1.29501202 0.02413360 89.17846964 97.22343634 -95.55586686 Ni 1.27246494 0.01228729 1.28702162 93.28009833 -114.06409916 90.97770969 Ni 0.01673036 1.29334006 1.29854743 -102.82555844 90.58539369 85.67262934 Ni 2.57750179 0.01198098 0.00798145 15.86960134 -40.01249668 -40.14129101 Ni 3.81506481 1.29767905 0.01545516 25.12740068 78.18209153 -70.65254412 Ni 3.86889921 0.00104249 1.27531478 1.98705684 -70.40963974 97.22886211 Ni 2.56631825 1.27395007 1.29068723 -24.81937584 22.08204965 3.81605383 Ni 5.12146285 0.01351810 0.00853992 -75.84870057 -17.87976412 -27.97457283 Ni 6.37012341 1.26604503 0.01758850 11.54512889 82.57148025 -22.18668194 Ni 6.35160793 0.02641053 1.29962016 37.49484222 -37.45840181 69.84683479 Ni 5.13624629 1.27381034 1.29427087 -77.95139215 60.25711363 28.15413257 Ni 0.00788487 2.57536597 0.01797340 -39.96782732 17.19990475 -40.38750018 Ni 1.27455154 3.84777485 0.02408472 116.38355832 7.72825935 -79.29299486 Ni 1.29595482 2.57526295 1.26331373 30.69154872 -63.12298561 72.41158430 Ni 0.01841343 3.84110470 1.27715899 -79.85189308 8.73966252 116.11319944 Ni 2.56999633 2.55757712 0.01557080 -36.50872792 -10.64612404 -127.47346318 Ni 3.83167726 3.83509671 0.01057009 7.72672432 30.56894599 -106.43032599 Ni 3.85469195 2.52590062 1.25619827 57.20735401 52.36756049 86.82470019 Ni 2.55971499 3.84898536 1.26206638 -67.66535550 70.82753986 24.12962674 Ni 5.09351764 2.59311079 0.01636886 -78.56205771 -37.38096972 -77.29921108 Ni 6.38667833 3.83221408 0.01933590 44.16993911 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6.39388301 1.26925089 -92.02081171 103.57772948 81.02392424 Ni 0.01309223 0.02200301 2.57467224 -41.82735182 -40.92028640 21.69874475 Ni 1.27305609 1.26966927 2.54019140 85.81716075 69.75913137 1.06270820 Ni 1.28526590 0.01938593 3.84288836 97.10558348 -64.07016121 6.67840800 Ni 0.01913836 1.27141954 3.82863169 -71.54638216 105.07273586 15.17468427 Ni 2.58423436 0.02259359 2.58311018 -49.56699722 -117.81283322 -60.58291118 Ni 3.85889693 1.26947596 2.55379680 66.08387316 15.55393168 -93.99615444 Ni 3.82741597 0.02420782 3.80469272 49.30714976 -110.29210212 56.15720439 Ni 2.57832738 1.29471048 3.82136372 -146.02407123 -86.36017047 150.43280948 Ni 5.11698479 0.01679529 2.54301059 -85.58095781 -79.17110720 -1.32961114 Ni 6.41943302 1.25725543 2.52914890 82.86488221 118.30282907 15.94369118 Ni 6.37950895 0.01332341 3.85910815 35.47580595 -41.00251725 -26.50544287 Ni 5.13170925 1.31216496 3.81880573 -70.73318270 -24.01954015 73.88372821 Ni 0.02023192 2.55054955 2.57742584 -96.72086188 -3.17399058 -39.51976854 Ni 1.29161063 3.86073577 2.55786080 -35.49053683 40.71747991 -94.88310827 Ni 1.27225705 2.57309973 3.83257314 83.76971178 -115.72196439 71.20420445 Ni 0.01560253 3.83092120 3.83861988 -107.96510406 32.59072146 9.15656310 Ni 2.57539257 2.54387700 2.55173049 -223.00297482 -100.49822128 -224.41784545 Ni 3.85066876 3.84369095 2.54346874 156.52863404 151.41832006 -84.36172014 Ni 3.84315540 2.52259442 3.82863213 216.10660203 74.89393370 230.40811102 Ni 2.58309590 3.85503555 3.81623791 -342.65384594 71.85584626 297.73345356 Ni 5.12320797 2.57617428 2.57191368 34.00393462 -187.89419424 -164.86780033 Ni 6.40222608 3.81829555 2.56600047 110.78592489 52.89596637 -14.30015176 Ni 6.41779405 2.58858422 3.81615438 102.54010378 -29.78353830 44.28846376 Ni 5.13089978 3.84268289 3.85415452 -70.03021336 41.29283391 19.79046210 Ni 0.02350320 5.12075064 2.57175465 -67.98926385 -106.59388599 -13.96412786 Ni 1.27390871 6.40875433 2.57649339 108.63925510 67.68581729 -25.25200610 Ni 1.26099988 5.12409642 3.82021566 129.93348528 -56.89899598 39.92194216 Ni 0.02054934 6.39732409 3.82015266 -39.31533932 32.29343320 -12.70798477 Ni 2.55035849 5.13710827 2.56347533 -47.08175905 -37.82688210 -144.54490694 Ni 3.86490678 6.40588518 2.58246278 11.03593705 87.54864764 -37.47232837 Ni 3.82081742 5.09342880 3.84282864 188.80525460 115.98864806 58.23625110 Ni 2.57407564 6.38145714 3.81428079 -38.42225427 89.14053946 46.56892569 Ni 5.12897781 5.11564677 2.54674789 -59.31974408 -38.85408473 2.09084189 Ni 6.40599405 6.40759104 2.52512549 28.31560298 19.89230411 23.25601390 Ni 6.38387493 5.10868744 3.85529042 45.28601970 -81.77986103 4.64479440 Ni 5.12038322 6.41422972 3.84300459 -89.52240686 64.93295648 -2.92215070 Ni 0.02718012 0.00659851 5.12459886 -16.41565858 -13.97346146 -74.21536854 Ni 1.26372337 1.27058669 5.09158542 80.10491751 74.61581630 -39.42545417 Ni 1.27222494 0.00828762 6.41975199 69.98461329 -7.34167493 7.76244550 Ni 0.02018004 1.26604003 6.40500932 -8.60095363 76.17862283 8.38291126 Ni 2.54185061 0.00305110 5.12188468 -11.42150185 -71.02797193 -95.05972336 Ni 3.83199892 1.26724886 5.11375313 48.51736242 91.96439126 -49.85309429 Ni 3.83544382 0.01381669 6.39702763 -20.78416279 -31.94203873 26.77945488 Ni 2.57645478 1.26002788 6.39388221 -8.62502381 98.74888699 56.65925238 Ni 5.11680551 0.01455023 5.12110085 -95.76673740 -102.79563296 -86.46582876 Ni 6.41664179 1.26722815 5.09558685 98.82986727 101.19544519 -71.74152171 Ni 6.39299487 0.01695574 6.39017395 -24.32738637 25.18731468 -25.08553796 Ni 5.12074445 1.26028382 6.42099845 -78.32431872 88.48653808 98.93127996 Ni 0.01648595 2.55470343 5.09987346 -81.20626244 -14.99240884 -83.68742851 Ni 1.28203125 3.83311140 5.07032503 79.15943527 67.72006753 27.33032228 Ni 1.30456751 2.54870156 6.38023193 93.51884251 -2.59371865 56.29828202 Ni 0.01878594 3.87881363 6.38126494 -33.71446049 -25.83161411 28.05074228 Ni 2.58120051 2.55880818 5.12063800 -129.40303071 -83.61006567 -80.46445866 Ni 3.82300908 3.83651582 5.09958864 140.62524311 53.57806589 76.73131167 Ni 3.84286461 2.57784289 6.39489582 26.51256040 -45.69226733 81.14554705 Ni 2.55787386 3.83933155 6.39775589 -29.60912794 16.66248824 88.18337832 Ni 5.11643906 2.55169781 5.11682511 -47.98710578 -16.29765823 -68.02775689 Ni 6.40518599 3.80752111 5.09957887 57.94797104 21.45544676 -66.49286025 Ni 6.39999149 2.60803328 6.39518974 20.85174687 17.53194907 18.59419583 Ni 5.10875866 3.84696533 6.41719425 -93.43110438 9.95015598 63.38210624 Ni 0.00894731 5.11076191 5.12330321 -103.78808837 -83.51070590 -103.27333378 Ni 1.29765486 6.40110403 5.09608404 95.79884068 85.79453443 -79.85483334 Ni 1.25590698 5.13209621 6.38902397 102.68963729 -83.95437368 99.37148136 Ni 0.03118062 6.41134075 6.37515289 25.59236232 -25.15359869 -27.35628012 Ni 2.57133741 5.10868924 5.12432736 -60.65243521 -42.22458393 -112.73147419 Ni 3.87431147 6.38626254 5.12167256 -4.04938685 52.16525177 -89.64882096 Ni 3.82903842 5.09152065 6.38912036 5.83872431 -84.72901915 58.08848201 Ni 2.57164528 6.40908468 6.39012143 18.49043110 19.48985999 20.91167118 Ni 5.09838446 5.12875921 5.12149209 -39.95729189 -82.98171584 -62.71431402 Ni 6.40261839 6.35947730 5.11250981 17.26861170 13.10032854 -67.10124119 Ni 6.41936704 5.14041395 6.38868581 -5.55248572 -78.39030987 -0.97984373 Ni 5.10962381 6.40649329 6.39654975 -72.97178740 4.30266333 10.49803402