108 Lattice="10.256142107053604 0.0 0.0 0.0 10.256142107053604 0.0 0.0 0.0 10.256142107053604" Properties=species:S:1:pos:R:3:forces:R:3 energy=-264.20541777604114 stress="-55.60119975765673 -109.80319070871403 10.793376929875663 -109.80319070871403 -43.34588329826105 -51.198328056351244 10.793376929875663 -51.198328056351244 -172.60897445800828" free_energy=-264.20541777604114 pbc="F F F" Ni 0.02818989 0.03660117 0.01365839 0.21096117 0.37166501 0.31572854 Ni 1.71823113 1.71657784 0.04398544 0.20593802 -0.24622772 -1.31980654 Ni 1.71239755 0.00741358 1.72142436 -1591.32638578 2760.65192951 -4275.10527674 Ni 0.05695808 1.76616666 1.71806603 -1.51178339 -0.68860706 -0.03604621 Ni 3.43357030 0.01008844 0.04357036 -0.11191072 -0.05094573 -0.26237590 Ni 5.12094137 1.72417577 0.01636633 0.12841062 -0.11065078 -1.00722619 Ni 5.09412768 0.05642444 1.73337284 0.37349358 -1.39312059 -0.41152658 Ni 3.44120391 1.73904214 1.72507385 3642.89977411 -3610.65276925 22.51060890 Ni 6.79741752 0.00874555 0.02578750 -0.17150111 0.01606070 0.06723363 Ni 8.49171154 1.67152635 0.01219121 -0.01140482 0.24632564 -0.11552610 Ni 8.48992060 0.04785797 1.70903601 0.19882418 -0.21708739 0.02683666 Ni 6.81361300 1.73217213 1.73956597 37.74323518 -5142.55588781 -5142.86891610 Ni 0.00637994 3.37238517 0.00562728 -0.04281702 0.29288132 -0.23089859 Ni 1.69110107 5.15859560 0.00427256 -73.93722932 -84.94418193 9.04439246 Ni 1.71804564 3.37915133 1.68996652 521.38721714 7.78614019 519.64999107 Ni 0.00601417 5.14341183 1.70402340 -3644.41014576 3610.26937351 -22.27816740 Ni 3.40800132 3.40099005 0.01399313 -0.07461094 0.28250435 -1.04460983 Ni 5.13826944 5.11186220 0.02591480 -2954.10611565 27.63255090 2924.39933126 Ni 5.12759550 3.43342613 1.71405711 -2752.37965705 -2737.84805855 -2.24029198 Ni 3.42943280 5.10633748 1.73956457 -3613.28940615 3705.09123402 -21.89198363 Ni 6.80910333 3.41049705 0.03823988 0.10713649 -0.25716026 -1.31636749 Ni 8.49244380 5.09487289 0.03581507 0.33712353 0.72281402 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1.71444921 1513.72965372 240.65024247 -1763.47581830 Ni 0.01719091 0.00860251 3.40507968 -0.07256372 -0.31097797 -0.32800912 Ni 1.67428044 1.76877820 3.42909678 0.75104054 -0.77996166 -0.15938845 Ni 1.72455272 0.06124641 5.13929011 -0.32023871 -1.11538786 -0.61224727 Ni 0.03027694 1.67699935 5.15970848 -9.93863102 -4663.95419420 -4535.57696096 Ni 3.40713807 0.00699738 3.39815854 -4629.75788592 -31.03379691 -4268.93084113 Ni 5.16172665 1.69084819 3.39793404 2948.66088865 44.57251897 3006.01541642 Ni 5.15942764 0.00222478 5.11395679 8876.87907731 -65.78148953 -161.41875600 Ni 3.42889779 1.72477715 5.10679726 -0.02177715 0.11719203 0.20148655 Ni 6.81883768 0.00018925 3.39714694 970.50816283 -1652.04248965 691.56987159 Ni 8.57450705 1.66752769 3.43609495 0.64999397 -0.18531976 0.30857833 Ni 8.48422943 0.01024376 5.11613690 -10.51017587 -730.47787639 -539.86990344 Ni 6.78990384 1.75405303 5.08815391 0.80670197 -0.27140033 0.32274263 Ni 0.03926609 3.43073847 3.40520885 20.41644639 -5239.29483663 -5225.34973346 Ni 1.70127727 5.14349791 3.43000552 2954.46489257 -27.15767461 -2926.04534170 Ni 1.68079636 3.39012412 5.13769977 -4663.54668106 -37.79960412 -4578.22307938 Ni 0.04421687 5.08721705 5.10011550 -1.18875694 0.55332156 0.41861910 Ni 3.40147393 3.41954989 3.42930645 -6451.45671852 6538.38871985 13.46925897 Ni 5.13518309 5.10891849 3.39184101 -4219.20319498 -4313.16432435 -50.63917445 Ni 5.14409387 3.42356232 5.10556807 -521.42023926 -6.53354961 -519.46556032 Ni 3.36507800 5.12238338 5.16022201 -63.93298821 1348.65139279 -1389.46739656 Ni 6.88565422 3.41195994 3.40879565 97.66251214 -6613.65970729 -3939.09728921 Ni 8.57023469 5.17609615 3.38042104 0.57004118 -0.27542595 0.23828892 Ni 8.54528379 3.42283696 5.10268393 3069.60569047 -3116.67831957 26.76760451 Ni 6.78863580 5.15202830 5.15957145 -43.02885289 4913.40162910 5427.72736996 Ni 0.01239303 6.86924743 3.42775791 4792.60066776 -4879.67406337 2.04206467 Ni 1.72016531 8.52278060 3.45940965 179.76015140 0.65516840 177.17309848 Ni 1.69840435 6.86753078 5.13877071 -5095.68765154 62.12302106 5090.86999373 Ni 0.03186395 8.54632186 5.15319703 -0.25431518 0.43360639 0.00956699 Ni 3.42583180 6.82948365 3.43172369 -4100.98683953 -48.37668739 4056.92564846 Ni 5.10661469 8.52294085 3.39946576 0.31351369 1.09635719 -0.10767696 Ni 5.12097224 6.84184779 5.13158958 -5010.78103293 3111.08971228 -1857.69435100 Ni 3.45062121 8.57713091 5.12861641 -1507.87240713 16.13900613 1504.31229401 Ni 6.83661260 6.85925210 3.40645308 4888.22575758 1756.79378185 -6682.05984693 Ni 8.51337651 8.57320711 3.42436856 4207.54243501 4314.42763480 40.47133625 Ni 8.56161619 6.81852638 5.11606790 1568.67481026 -2.97513471 1547.02850539 Ni 6.81756340 8.50283686 5.11218421 53.92200466 48.86544223 4.42544294 Ni 0.02828803 0.00929147 6.85388085 -4480.47163733 -4681.37218748 -103.10142291 Ni 1.73552760 1.70228219 6.90101596 -0.00148940 0.72228970 -1.30209301 Ni 1.70170446 0.04015462 8.49542357 -4539.38681486 48.39799804 4440.66481995 Ni 0.01524675 1.68508526 8.56151925 -4497.81533074 -4462.99012717 62.44604333 Ni 3.44694687 0.03883647 6.86525467 687.71485123 -9.26768809 -707.86765963 Ni 5.15635855 1.71179205 6.81523427 -6796.60504982 6730.47762881 24.57458768 Ni 5.15340798 0.00306007 8.53837272 -7048.81260550 6902.61805315 -13.31995137 Ni 3.40335757 1.67528066 8.55339018 -6098.70383851 4900.48280775 1345.78927972 Ni 6.84582832 0.03032633 6.80249517 4472.97631614 30.23604528 4429.21990511 Ni 8.54958772 1.74111009 6.85073388 -2948.31429171 -43.99985057 -3005.95373014 Ni 8.55268632 0.00623805 8.54855218 0.16684595 -0.14813821 -0.38511772 Ni 6.81060068 1.73780150 8.53680207 0.34020705 -0.15304854 0.73429093 Ni 0.01691634 3.41693190 6.82575662 -1.00423818 0.12114995 0.45322035 Ni 1.72025226 5.11440969 6.82759664 6796.32755190 -6729.64303646 -24.31121104 Ni 1.69840800 3.38611736 8.53146554 7049.79410386 -6902.50487093 15.31330624 Ni 0.03660302 5.14585020 8.53281742 6123.05611894 -1639.31906981 4573.31857521 Ni 3.43177235 3.44574181 6.81213622 4636.59058956 4679.28520134 -56.93455469 Ni 5.09672496 5.18715107 6.79282573 0.52578129 -0.83700502 0.24512237 Ni 5.13392967 3.41809248 8.52733614 5357.84253015 -1613.90014615 4506.92053564 Ni 3.44926164 5.09333507 8.51400451 4496.85765740 4463.91225977 -60.87297430 Ni 6.84754252 3.41489466 6.80559714 -20.08288724 -1708.52945596 1712.38842509 Ni 8.49246210 5.15516868 6.80628748 0.95085832 -0.30595381 0.35314242 Ni 8.54099103 3.41092289 8.55868577 10.26435015 632.37370207 639.79507136 Ni 6.77419973 5.17712168 8.54898160 0.43661574 -0.57078638 0.45235109 Ni 0.02487762 6.85525987 6.82067878 -23.16830167 5239.03534328 5225.56043993 Ni 1.72984761 8.52237221 6.83675074 0.13055230 0.97833050 0.17952430 Ni 1.73155397 6.85191723 8.57393859 -1138.29368156 1149.83794523 14.97579682 Ni 0.01227407 8.50618457 8.57205636 0.47000530 -0.27337277 -0.39038582 Ni 3.44339179 6.84338926 6.85288583 -4869.02916043 -48.14191219 4969.83771742 Ni 5.14979405 8.53207371 6.86565195 -178.89129187 0.68733879 -177.63099954 Ni 5.14630250 6.84360698 8.50459020 -0.24597139 0.32953026 1.31296918 Ni 3.38561032 8.54471045 8.56920150 0.20651260 7.67350970 7.54769648 Ni 6.82728431 6.85066903 6.80949555 -89.60777359 5290.82857815 5232.48954090 Ni 8.52291254 8.53125767 6.83988454 -0.12422820 0.06411310 -0.34827085 Ni 8.54340070 6.85239704 8.54867223 2386.48423622 507.73563074 1888.32015047 Ni 6.83257807 8.57539936 8.56851995 -0.47826764 -26.69232132 -26.64210417