500 Lattice="17.44591703842876 0.0 0.0 0.0 17.44591703842876 0.0 0.0 0.0 17.44591703842876" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1996.6649701332574 stress="-0.01010064600810396 -0.00041612781715926465 -0.0010670871286827149 -0.00041612781715926465 -0.010104351326914443 0.0008338840335275167 -0.0010670871286827149 0.0008338840335275167 -0.010077644545017967" free_energy=-1996.6649701332574 pbc="F F F" Ni 0.01209277 0.00201494 0.01322121 0.35291803 0.49360266 0.37435615 Ni 1.77809488 1.74105754 0.02811049 -0.36943255 0.13779224 -0.32507994 Ni 1.72889713 0.02611750 1.75132668 0.07637763 -0.34029360 0.03967478 Ni 0.01007513 1.77412761 1.75573956 -0.06643475 -0.04258594 -0.05838889 Ni 3.51053898 0.01527708 0.00370006 -0.11171507 0.04437238 0.16189259 Ni 5.26257082 1.75037814 0.02119733 -0.38751840 0.13478497 -0.27369401 Ni 5.24914839 0.02796343 1.75304726 -0.26647744 -0.29625362 0.26619082 Ni 3.45533500 1.72683532 1.77010926 0.37807986 0.31923178 0.04410090 Ni 6.96646412 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3.50648117 0.02089028 -0.07136672 -0.52707782 -0.12439857 Ni 15.68689452 5.24451281 0.03087275 0.24813441 -0.11989940 -0.16592301 Ni 15.73292385 3.51686205 1.74996332 -0.15320631 -0.38808522 0.12259810 Ni 13.94212324 5.22924596 1.73143495 0.13626939 0.10302849 0.55157424 Ni 0.04568886 6.99211882 0.00235456 -0.05200283 0.03185839 -0.04077295 Ni 1.80229744 8.74341031 0.00017407 -0.34072246 -0.30510502 -0.19357945 Ni 1.73545422 6.97990976 1.72674398 0.32957064 0.06819870 0.54202396 Ni 0.01250931 8.73900782 1.73955487 -0.28560075 -0.23837239 0.10140351 Ni 3.46685697 6.94755141 0.03005527 0.51465903 0.47822792 -0.18989089 Ni 5.26640319 8.74884806 0.02032775 -0.22694685 -0.39746877 -0.41781931 Ni 5.25432736 7.00345113 1.76458635 -0.23616605 -0.22832316 -0.07265718 Ni 3.52154702 8.73404449 1.73240403 -0.49315485 -0.37020085 0.45847098 Ni 6.97402413 6.95410182 0.01904542 0.11356238 0.27194882 -0.19207580 Ni 8.69615273 8.71568016 0.00139311 0.20494865 -0.26979682 -0.16096554 Ni 8.69632561 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10.44832728 0.03398280 -0.06353587 0.41123623 -0.40748032 Ni 5.23317618 12.18026742 0.02361901 0.04680254 0.28526683 -0.28899481 Ni 5.20252665 10.44626257 1.74819644 0.50061611 0.40642264 0.13259752 Ni 3.51057127 12.23897512 1.73735590 -0.49512162 -0.13755221 0.28789848 Ni 7.00552089 10.46706000 0.00889652 -0.20992413 0.17151357 -0.40587752 Ni 8.71600820 12.22945928 0.03426739 0.11926087 -0.46647460 -0.34955468 Ni 8.70279743 10.46165686 1.74151978 0.43068386 0.21591228 0.24533607 Ni 6.96383154 12.17921021 1.72736257 0.05090893 0.41579836 0.30453399 Ni 10.43965345 10.43306750 0.01666719 0.20546670 0.36154499 -0.03298720 Ni 12.24086519 12.21680260 0.01087333 -0.12013350 -0.14172821 -0.17900745 Ni 12.22969411 10.50204838 1.76466881 -0.27462790 -0.49983210 -0.15420654 Ni 10.50219727 12.22659074 1.75573469 -0.25830481 -0.26784421 -0.16796980 Ni 13.98542250 10.43916652 0.01813685 -0.31773650 0.30310390 -0.42822805 Ni 15.70867163 12.17529512 0.02970989 0.04061587 0.15222944 -0.06692612 Ni 15.68948727 10.43822929 1.73404874 0.27397913 0.19985197 0.69651357 Ni 13.94818164 12.17901637 1.73956395 0.36023129 0.33599506 0.27676926 Ni 0.00785535 13.94869826 0.01814402 -0.01481405 -0.21377564 -0.00518823 Ni 1.74759627 15.68654901 0.01143107 0.23486621 0.10096443 -0.00336539 Ni 1.74108070 13.98188163 1.71471653 0.42684489 -0.44033809 0.52216899 Ni 0.00071909 15.69490287 1.76517636 0.06889971 0.05858883 0.08031766 Ni 3.51698565 13.96919863 0.00786444 -0.13464620 -0.15586319 -0.21184342 Ni 5.25924687 15.73430363 0.04813544 0.00074308 -0.15698487 -0.12167278 Ni 5.21385758 13.97630828 1.76611999 0.29992671 -0.22896714 -0.24453813 Ni 3.51171633 15.69254783 1.75908975 -0.45313405 0.25670316 0.16994313 Ni 7.00515121 13.94189717 0.03229896 -0.56763495 0.14705533 -0.29863655 Ni 8.73008737 15.72341017 0.00330566 -0.10976049 -0.25590860 0.17859764 Ni 8.70476721 13.94852203 1.71976495 0.18583619 0.11677918 0.43605584 Ni 6.95927702 15.69109135 1.77705513 0.01556892 0.26037830 -0.15399171 Ni 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5.22002681 5.18921732 13.94208928 0.22983035 0.46590486 0.17394687 Ni 5.22304083 3.46496735 15.69972863 0.03439057 0.28946337 0.15788682 Ni 3.48688899 5.20644283 15.72630125 -0.18259557 0.14454352 0.02669687 Ni 6.95550866 3.45639558 13.93757561 0.37196698 0.59356912 0.05320791 Ni 8.75190291 5.22240142 13.96502139 -0.32717577 -0.10497680 -0.23808791 Ni 8.73429779 3.50620561 15.69646558 -0.40183388 -0.35999239 0.23483763 Ni 7.00364304 5.25661494 15.67089677 -0.33070064 -0.52953386 0.23609792 Ni 10.45395977 3.50911474 13.98524635 0.39457111 -0.48604897 -0.49668211 Ni 12.23349854 5.19944059 13.98736357 -0.07898861 0.03448062 -0.37714538 Ni 12.24513867 3.45634935 15.72793802 -0.06987111 0.16505458 -0.03217591 Ni 10.43770444 5.20602102 15.72180247 0.50138412 0.27236003 0.18498320 Ni 13.99037080 3.45938809 13.93213336 -0.58444363 0.31532614 0.16433574 Ni 15.67395957 5.24097706 13.94061634 0.35604465 -0.05301640 -0.13723531 Ni 15.71137038 3.48690053 15.67169923 -0.06626692 0.01859310 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-0.31019091 0.22230116 0.23583786 Ni 3.47857043 12.19821736 15.66674224 0.46492450 0.54268589 0.29285602 Ni 6.94253892 10.50052233 13.97811996 0.19170868 -0.32612739 -0.22890620 Ni 8.68744945 12.18586910 13.93977563 0.19823479 0.31074816 0.21602054 Ni 8.74917300 10.47029024 15.70584445 -0.31564544 0.13151601 0.09078469 Ni 6.91484019 12.25993273 15.69384494 0.28565111 -0.35948192 0.17354413 Ni 10.46868350 10.49637515 13.91705867 -0.16526049 -0.38201108 0.51350113 Ni 12.20731148 12.21088487 13.92212889 0.17383031 0.25360421 0.34771256 Ni 12.22531672 10.45114544 15.67020314 -0.39084557 0.50890101 0.22495443 Ni 10.45580132 12.24299749 15.67435734 0.29253831 -0.13857613 0.07849144 Ni 13.93913963 10.43411724 13.96674881 0.30596671 0.53636842 -0.39037836 Ni 15.72598063 12.22586898 13.93933430 -0.09118449 -0.41679630 0.21146746 Ni 15.67900808 10.46070993 15.71230669 -0.03855946 0.14074779 -0.16654774 Ni 13.97478239 12.24233830 15.66766889 -0.27498852 -0.30864438 0.11461878 Ni 0.01971565 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