108 Lattice="10.316758695853657 0.0 0.0 0.0 10.316758695853657 0.0 0.0 0.0 10.316758695853657" Properties=species:S:1:pos:R:3:forces:R:3 energy=-285.542663888589 stress="-12.616036426958102 9.377265786037919 60.062399805258885 9.377265786037919 -25.2482094648543 8.471555220860292 60.062399805258885 8.471555220860292 -49.77891839992458" pbc="F F F" Ni 0.01352989 0.00235348 0.04311216 0.53177705 0.53524778 0.57268786 Ni 1.74067315 1.77571509 0.01790090 5499.04228767 5356.48020478 15.53472113 Ni 1.74135013 0.02949497 1.77690420 -0.38727156 -0.56368590 -0.44306079 Ni 0.00352403 1.74355597 1.71755554 -0.74977805 -0.40115395 -0.08881812 Ni 3.46437378 0.01209074 0.02445313 7647.49242197 -4437.09913696 778.57717517 Ni 5.17349995 1.74066350 0.02335099 -7149.49823777 -2112.68805741 -4949.77236990 Ni 5.17078730 0.04782382 1.72875642 -12.72321522 750.11934021 759.47889347 Ni 3.41877539 1.74548886 1.72503774 0.20745476 0.42729875 0.55696045 Ni 6.89969900 0.04400201 0.03152072 -0.09773491 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3.45639596 1.73936860 0.61706244 0.06703343 -0.36004860 Ni 6.90230372 5.16717810 1.69391250 -0.07602859 -0.09430738 0.47199117 Ni 0.00773468 6.89639689 0.04520751 0.00923827 0.04030698 -0.13181336 Ni 1.71642489 8.60168256 0.04043668 0.26698630 -0.31771272 0.14282628 Ni 1.66664328 6.85440615 1.74160064 24.40637063 -2857.87487603 2815.20510569 Ni 0.03037666 8.59090779 1.72397190 0.03079461 -0.03031288 0.25560908 Ni 3.45575938 6.84510380 0.04382999 -0.22652667 0.52390156 -0.68333716 Ni 5.17951812 8.57276797 0.00085443 -2662.03939176 -1612.93581645 -994.49956660 Ni 5.15589692 6.84891433 1.74133926 12599.69055753 -51.97723221 1949.08974028 Ni 3.41349774 8.57191883 1.72767494 40.38700308 -1894.84179822 1934.04618361 Ni 6.88017491 6.88127971 0.02343928 -39.05723222 3883.24790594 -3825.50476141 Ni 8.61470208 8.59669335 0.04423200 -0.54472810 -0.57509662 0.59416806 Ni 8.54024689 6.86176653 1.69570817 -1281.98319480 0.39227066 1319.74014339 Ni 6.85760264 8.58250905 1.72885048 0.04362112 0.54934656 0.08847716 Ni 0.05173784 0.03811235 3.45240410 -1210.63565386 8.89732742 1215.65121930 Ni 1.67493897 1.76935648 3.40411373 1.15680205 -0.35292205 0.31537961 Ni 1.74826014 0.03755959 5.18925198 -0.09409786 -0.51175272 -0.08796035 Ni 0.01289042 1.75273865 5.13211327 7282.12744648 691.18408729 6593.40195689 Ni 3.43439235 0.01502031 3.42552259 -25.00479446 -4233.14180673 4186.77776336 Ni 5.15481785 1.75634464 3.41770000 -0.00465077 0.09463225 0.26449199 Ni 5.13238846 0.02689707 5.15235066 -0.02017166 -0.96288152 0.25631305 Ni 3.46641562 1.73638455 5.13587067 1454.11849576 1462.98689503 16.50205249 Ni 6.86253251 0.01256364 3.46721315 2505.68935427 -4602.09238121 -2016.37297158 Ni 8.62998048 1.75939154 3.40916747 5066.51923468 26.95174801 4962.53019904 Ni 8.61313950 0.00536911 5.18143633 -0.20152979 0.18828075 -0.05812591 Ni 6.83737260 1.70391724 5.18170709 -1019.77894588 1060.93683286 -0.74491531 Ni 0.04770087 3.40921217 3.40837554 -4.88005178 -347.47029718 360.22754233 Ni 1.72154547 5.19384431 3.45690659 0.57639387 -0.46803169 0.15103972 Ni 1.69460456 3.40874429 5.13482974 -21.54820760 4314.88956523 -4292.85362953 Ni 0.01576699 5.18580030 5.18952065 -1.10596605 -0.54331886 -0.14854910 Ni 3.48884726 3.48074026 3.48240732 -5464.56428985 5560.48846530 2.38914185 Ni 5.16087496 5.16402377 3.42922310 5304.73218981 -941.47149551 -4417.42088724 Ni 5.11235138 3.45024086 5.16766303 13.80719193 -751.33388665 -759.43676151 Ni 3.48544189 5.18828603 5.18063932 1065.95523088 5403.47376501 -6403.82626970 Ni 6.91492123 3.43387038 3.41897950 38.41732070 -3882.93062601 3825.09600388 Ni 8.55749474 5.18256943 3.45655799 -45.11100152 -3536.96432126 -3575.96133118 Ni 8.58686741 3.44955498 5.15702857 -138.64922023 -4923.28872193 -5175.10889480 Ni 6.87805950 5.16632834 5.17489620 -1455.04160888 -4236.89045036 2693.65255236 Ni 0.01753556 6.85248404 3.42256976 987.16936039 -956.00917207 20.64660336 Ni 1.70509646 8.61968185 3.48076794 -5215.30827495 20.39412507 -5094.78081435 Ni 1.70004616 6.92133602 5.12728788 -5398.03257722 112.52311203 5289.48879058 Ni 0.04865241 8.62313868 5.13721789 4.40729690 -1331.21724734 -1321.69064176 Ni 3.48284362 6.86526911 3.42892092 -0.65970018 0.16738701 -0.00332160 Ni 5.17221510 8.59774264 3.46626570 0.07177750 0.56871339 -0.24049943 Ni 5.16651161 6.86231057 5.16575605 1324.35704569 -2823.99718868 -4176.77931803 Ni 3.43245911 8.59745657 5.17409750 2110.28430952 -16.46097836 -2118.23060624 Ni 6.87824548 6.87964212 3.43852541 -0.23907818 0.09213959 -0.06769404 Ni 8.59089290 8.59512151 3.41833356 0.27395969 -0.16482152 0.15981570 Ni 8.56637694 6.87761335 5.16945992 -7199.81252261 -60.33963626 -7238.40345442 Ni 6.93679180 8.61465678 5.15991143 -0.43177924 0.47321668 0.00362364 Ni 0.01205908 0.04487050 6.88700409 3.84337754 348.44462462 -360.30012709 Ni 1.73340579 1.71243862 6.91219791 437.24317492 436.19430619 -5.15735030 Ni 1.69278087 0.01653992 8.57924512 -0.70509003 -1455.70297252 1478.11255941 Ni 0.03931465 1.74043991 8.59104439 0.01543568 0.19482017 -0.06952122 Ni 3.40587005 0.02712972 6.91721540 0.30275434 -0.85707862 -0.33548673 Ni 5.14612807 1.72343252 6.82244471 -0.37964227 -114.31065312 113.54647729 Ni 5.14254003 0.03602721 8.60320681 0.25506990 0.10052976 -0.24096700 Ni 3.41965188 1.73009636 8.56395093 -7359.66291596 -4520.86730913 -2854.94536671 Ni 6.86787760 0.02138063 6.86285390 -0.07665391 -0.71975076 0.23611843 Ni 8.58244430 1.71114466 6.89339761 -6660.41815074 6637.44167693 -32.16995110 Ni 8.61844911 0.03905519 8.62315823 -0.65538008 0.42851593 -0.53265450 Ni 6.87881366 1.70806632 8.55397575 -0.44428949 2774.05126545 -2709.53232796 Ni 0.02780670 3.40040507 6.82372065 -0.57116395 0.42658642 0.63836090 Ni 1.74538803 5.19166750 6.85368954 -5551.80273155 -199.07997300 5322.72217072 Ni 1.74175752 3.45304115 8.58370462 -0.44125358 0.13710469 0.64793002 Ni 0.00587465 5.12054349 8.61188153 0.31165429 0.15825783 -0.53059752 Ni 3.40533977 3.42377819 6.89814521 0.05441022 0.16100073 -0.77053331 Ni 5.15687126 5.12435991 6.87687763 6224.35838752 -7072.83650703 36.73328169 Ni 5.14324686 3.42955180 8.60613905 -4938.10366965 -4901.26050336 -6.81057431 Ni 3.48731945 5.10603410 8.58592682 -0.61994674 0.81975620 0.70688269 Ni 6.88060206 3.43433699 6.84690066 -0.08915376 0.06726509 0.48056529 Ni 8.58573193 5.21226832 6.88512480 0.61689752 -0.57285226 -0.03466637 Ni 8.62238087 3.45593030 8.59240216 -0.33980372 -0.11270907 -0.20596313 Ni 6.90305574 5.15542003 8.61189003 -0.47853496 -0.15690550 0.27087790 Ni 0.00936840 6.90496281 6.87289446 -0.28937722 -0.25419558 0.00917454 Ni 1.70160526 8.61561460 6.84000822 0.17745787 0.36235161 0.27660687 Ni 1.71740554 6.89201115 8.58896030 0.03004952 -0.52755022 0.28201697 Ni 0.01953707 8.62626825 8.60060362 -2109.55438185 17.63982517 2117.95687404 Ni 3.39916142 6.87770580 6.86594788 0.28659710 0.00263700 0.20346700 Ni 5.16663085 8.60660916 6.86163890 5457.97491756 222.80497397 5094.81889076 Ni 5.14136214 6.87067116 8.56181405 0.21435811 -0.01590073 0.47891381 Ni 3.39802873 8.54445283 8.60123008 0.08989920 0.06170578 -0.17851385 Ni 6.91586714 6.91061149 6.89838162 -0.88400465 -0.32857136 -0.16678287 Ni 8.60194956 8.58557906 6.89646753 46.16503632 3537.21879619 3575.48288736 Ni 8.57775567 6.83776335 8.61137864 4925.87461750 9843.42591245 5046.70761526 Ni 6.89125466 8.58803618 8.60384688 -0.27937661 -0.14606139 -0.15649509