500 Lattice="18.100919194589146 0.0 0.0 0.0 18.100919194589146 0.0 0.0 0.0 18.100919194589146" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1486.5315270958474 stress="-0.005379329744433339 -0.0003563971605665927 -0.0001586621133931334 -0.0003563971605665927 -0.005159714964671412 2.5429501896045022e-05 -0.0001586621133931334 2.5429501896045022e-05 -0.004966825419685516" free_energy=-1486.5315270958474 pbc="F F F" Ni 0.02603371 0.00041369 0.00285187 -0.44162579 -0.51957791 -0.47868127 Ni 1.77451788 1.83302318 0.02563523 0.80627526 0.47922793 -1.18051217 Ni 1.83225548 0.02997477 1.78267900 0.54779768 -1.08839163 0.85379173 Ni 0.00490103 1.78721490 1.78688329 -1.02361201 0.94984297 0.83370246 Ni 3.60420618 0.03279569 0.00906726 0.32104668 -0.35284494 -0.52910311 Ni 5.45110794 1.83737286 0.02711736 -0.48741071 0.43263605 -0.86272251 Ni 5.46491392 0.01578619 1.81798335 -0.50370731 -0.70780202 0.45285108 Ni 3.58438045 1.84251854 1.84612336 0.63665243 0.49037349 0.52927361 Ni 7.22052131 0.03605074 0.01058161 0.26913959 -0.84801192 -0.72119094 Ni 9.02511184 1.82934475 0.01346838 0.23814162 0.56494884 -0.79501716 Ni 9.08417764 0.01638911 1.82628335 -0.49732806 -0.83854209 0.38674500 Ni 7.24376024 1.79877666 1.77654004 0.36037742 0.88259551 1.52163181 Ni 10.83418630 0.03176874 0.00683471 0.17660514 -0.64570037 -0.64645608 Ni 12.68526768 1.79049989 0.00091072 -0.38529431 0.78664524 -0.81817180 Ni 12.69574890 0.02186028 1.81966276 -0.40924418 -0.98661891 0.54668505 Ni 10.83352220 1.78308650 1.81587547 0.34000633 1.45413950 0.73570057 Ni 14.49815471 0.02718658 0.01661716 -0.32917618 -0.86109611 -0.83291389 Ni 16.30495273 1.83046091 0.02476781 0.75198034 0.15987473 -0.88230994 Ni 16.31649951 0.01854850 1.80515677 0.51663459 -0.61029286 0.61205945 Ni 14.45325390 1.78315231 1.79706757 -0.49808586 1.13521253 1.36733227 Ni 0.02196654 3.65348926 0.01809274 -0.92320347 -0.19933821 -0.59933345 Ni 1.77394000 5.40348333 0.01099666 0.92204165 0.50362112 -0.61870863 Ni 1.81244812 3.60921500 1.81492007 0.56307818 0.16650161 1.09228967 Ni 0.00636778 5.42386552 1.83832701 -0.64325051 0.30660162 0.37119670 Ni 3.59697802 3.59695343 0.00192665 0.29996287 0.23835286 -0.54363525 Ni 5.46109958 5.39826162 0.00295009 -0.56701786 0.16285032 -0.41324657 Ni 5.45738406 3.58945612 1.81790750 -0.47696469 0.33477404 0.84715112 Ni 3.60143431 5.40418279 1.82404821 0.35517986 0.36355853 0.52751253 Ni 7.25383904 3.62035714 0.03320688 -0.02860743 0.10739382 -0.78079218 Ni 9.01734301 5.41469898 0.01999211 0.11223592 0.32038534 -0.64145732 Ni 9.03515414 3.64347619 1.83382873 0.13692459 -0.19447422 0.88132995 Ni 7.21128696 5.44795127 1.81995245 0.42825122 -0.32426766 0.92591471 Ni 10.85118799 3.62264960 0.01203606 -0.11570962 -0.19043259 -0.73680227 Ni 12.65469303 5.44480969 0.03104656 0.36732784 -0.27192160 -0.92797566 Ni 12.63280629 3.62487382 1.77590498 0.35603032 -0.22324029 1.49419625 Ni 10.85172455 5.42030498 1.77985255 -0.05287809 0.03608560 1.37778294 Ni 14.50475054 3.59238467 0.03299040 -1.04333206 0.35942992 -0.97119873 Ni 16.27727946 5.43919434 0.00911432 0.73614869 -0.10191684 -0.60381492 Ni 16.26935165 3.58579405 1.78162459 0.91074237 0.32000723 1.13909836 Ni 14.49240477 5.45592084 1.78218929 -0.77502898 -0.30379093 1.18047594 Ni 0.01407056 7.28942418 0.01014816 -0.41017239 -0.27012711 -0.41834699 Ni 1.83580514 9.07146122 0.01255142 0.36260133 -0.28229044 -0.79627673 Ni 1.84622016 7.26097157 1.83732306 0.68981535 -0.39785827 0.63957272 Ni 0.03401294 9.03017342 1.83596485 -0.88141324 0.37532667 0.33104713 Ni 3.59877683 7.24705973 0.02774964 0.46799909 -0.30090216 -0.53692372 Ni 5.44122946 9.07347172 0.01834513 -0.11785317 -0.14921166 -0.80531683 Ni 5.46558946 7.24990131 1.84169577 -0.90608639 -0.18037301 0.27206012 Ni 3.65672424 9.06293048 1.80885596 -0.17415715 -0.27213065 1.24509859 Ni 7.20597104 7.24130364 0.02313696 0.39092409 0.06731662 -0.69382490 Ni 9.03401857 9.08453048 0.00020466 0.13865270 -0.51791220 -0.55946472 Ni 9.06146703 7.23904549 1.83187302 -0.13569328 0.20624530 0.54576210 Ni 7.22768835 9.05004109 1.79974408 0.47248434 0.10828002 1.14684090 Ni 10.88779282 7.21450979 0.01270858 -0.39887085 0.34118340 -0.75718867 Ni 12.69385067 9.07653307 0.01893719 -0.25120369 -0.41647380 -0.64529639 Ni 12.66379122 7.20754012 1.83984039 0.18928839 0.38168551 0.67982286 Ni 10.87906145 9.02087809 1.77635874 -0.11079111 0.25359106 1.25892897 Ni 14.49689149 7.22776992 0.00967634 -0.96014059 0.13603450 -0.81525958 Ni 16.25549218 9.04043065 0.02464085 0.96684094 0.25002167 -0.88105628 Ni 16.32436122 7.28224481 1.79007761 0.65764475 -0.42719454 1.01546453 Ni 14.49833998 9.05990156 1.77414515 -1.19905183 -0.43743885 1.59468739 Ni 0.01738112 10.85479879 0.00448971 -0.61773432 -0.00479774 -0.44881004 Ni 1.79048662 12.69981362 0.01966713 0.97967851 -0.22443227 -0.76515677 Ni 1.81630535 10.84184597 1.79343909 0.58329856 0.28530710 1.23493262 Ni 0.03181259 12.70408069 1.80716842 -0.89455556 -0.51119731 0.76335400 Ni 3.59560512 10.84058583 0.03591235 0.35059383 0.42100533 -0.80711705 Ni 5.43840264 12.64000422 0.02313208 -0.11734021 0.26143044 -0.69410878 Ni 5.46593653 10.84923672 1.80765740 -0.26497868 0.22012353 1.02231704 Ni 3.64518101 12.67482260 1.80132500 -0.27704371 -0.04775935 0.68481646 Ni 7.25701084 10.88118785 0.00070192 -0.21394042 -0.32578051 -0.75695815 Ni 9.02414299 12.63121403 0.01684719 0.46138078 0.18217128 -0.73583782 Ni 9.04229541 10.83716337 1.81983815 0.16250919 -0.06229578 0.80907950 Ni 7.26558384 12.63511315 1.80223776 -0.47591254 0.48068572 1.12433820 Ni 10.86181243 10.86560605 0.00083403 0.08438117 -0.05851738 -0.57162795 Ni 12.66654855 12.69786279 0.00913297 0.23639598 -0.49363143 -0.71149042 Ni 12.68399079 10.87848498 1.81910770 -0.32408543 -0.47950719 0.84204956 Ni 10.89386706 12.64024746 1.79316614 -0.52909843 0.38200921 1.07991272 Ni 14.48729022 10.82685351 0.03048602 -0.55598949 0.75614857 -0.99433693 Ni 16.29978040 12.68991585 0.01905499 0.35898832 -0.20513531 -0.46597760 Ni 16.26497458 10.89027277 1.84429132 0.96283891 -0.44721651 0.29324310 Ni 14.45523082 12.64504367 1.83982298 -0.43602270 0.43492568 0.46301856 Ni 0.01877470 14.49093232 0.02910486 -0.79752260 -0.23259354 -0.80394303 Ni 1.82879110 16.29095789 0.02523788 0.32220300 0.74266811 -0.76406852 Ni 1.79617058 14.50045372 1.83596065 0.95010646 -0.75173324 0.67755371 Ni 0.02097342 16.31299814 1.81804417 -0.62033491 0.48177091 0.75936986 Ni 3.61239580 14.50886994 0.03253378 0.09291237 -0.90847779 -0.79358587 Ni 5.41634359 16.29003264 0.00979454 0.03308387 0.58599464 -0.56533557 Ni 5.41870932 14.49448119 1.80168100 0.43969988 -0.93907176 0.76632803 Ni 3.59577375 16.30165367 1.83522565 0.37632949 0.92682826 0.26967199 Ni 7.26176226 14.47682712 0.00716608 -0.28567958 -0.58248472 -0.87821059 Ni 9.07676115 16.32160953 0.00184026 -0.13380706 0.38703136 -0.56765181 Ni 9.02647269 14.46278432 1.77425593 0.42776375 -0.62707669 1.29580797 Ni 7.22536995 16.26076196 1.80311799 0.16252739 0.86619860 0.81126053 Ni 10.86925447 14.44839472 0.02618891 -0.17180373 -0.17532848 -0.75732195 Ni 12.69585702 16.32354938 0.02440909 -0.24191242 0.48345233 -0.54241898 Ni 12.69628883 14.51583924 1.79260317 -0.42845131 -0.77285005 1.06695088 Ni 10.82582191 16.30591133 1.81250073 0.21822144 0.51303791 0.54118262 Ni 14.46533601 14.46943643 0.02610131 -0.25212631 -0.26452449 -0.93242707 Ni 16.32426867 16.31914560 0.02099570 0.12664828 0.26934404 -0.35901126 Ni 16.26786043 14.51297973 1.78928722 0.70259947 -0.65758121 0.92719332 Ni 14.49421643 16.32313287 1.83768244 -0.51638463 0.82416041 0.34510417 Ni 0.02180329 0.00082140 3.57389782 -0.73358972 -0.58741532 0.19780144 Ni 1.79446930 1.78726498 3.63355185 0.90178859 1.18573312 -0.11572041 Ni 1.77739014 0.02463718 5.40477446 1.00622874 -1.02375652 0.12818670 Ni 0.02261648 1.81518399 5.46551310 -1.19453394 0.63386477 -0.46329853 Ni 3.64924164 0.00877448 3.61507998 -0.17970762 -0.59541379 0.23854993 Ni 5.43153795 1.77998458 3.63771273 -0.23782095 1.13027028 -0.03766801 Ni 5.44740509 0.01104627 5.45742134 -0.11431604 -0.70705558 -0.37141002 Ni 3.58667727 1.84182106 5.45510230 0.51076693 0.65222921 -0.43578946 Ni 7.27076881 0.02418998 3.59657331 -0.16315080 -0.60273205 0.15047747 Ni 9.08340703 1.82722570 3.65381422 -0.45944957 0.86586506 -0.33726027 Ni 9.01579206 0.00608458 5.40605700 0.22773637 -0.52318083 0.33803807 Ni 7.22077732 1.82863495 5.40715516 0.45998410 0.66714738 0.20028997 Ni 10.84672461 0.01151157 3.61050597 0.22442757 -0.86276660 0.38424274 Ni 12.63801805 1.78282295 3.64822565 0.26947028 1.45897502 -0.39676009 Ni 12.68321914 0.01094996 5.45094653 -0.46597932 -0.70609156 -0.09234663 Ni 10.86806973 1.82879400 5.41806745 -0.20960145 0.46825828 0.59177024 Ni 14.48105487 0.02015419 3.65142847 -0.54255772 -0.98754458 -0.25561695 Ni 16.26737663 1.79142703 3.65196707 0.97440906 0.89566708 -0.38842566 Ni 16.29988810 0.01409307 5.43772592 0.63518505 -0.60656419 0.18749637 Ni 14.49973416 1.81902076 5.39425903 -0.78473088 0.93300755 0.62463127 Ni 0.01721695 3.63519347 3.62518089 -0.74906325 -0.49631706 -0.13346162 Ni 1.79379820 5.41612530 3.64814608 1.18547101 0.24916609 -0.23273570 Ni 1.77422295 3.58730577 5.44221511 1.34084128 0.42551272 -0.11487513 Ni 0.02508625 5.40534477 5.41240986 -0.75508169 0.43498715 0.19666994 Ni 3.63118778 3.65133726 3.62269903 -0.03562693 -0.39659718 0.33316796 Ni 5.41601128 5.44261821 3.60498967 0.03494252 -0.33402662 0.46820637 Ni 5.44284819 3.61400525 5.44765033 -0.24672314 0.49275076 -0.11171889 Ni 3.58683640 5.40191729 5.45519697 0.59578437 0.12874304 -0.07083709 Ni 7.21665131 3.58616499 3.60030653 0.31617073 0.51830999 0.26340855 Ni 9.08049070 5.44570908 3.62878276 -0.47891441 -0.30973164 -0.29272830 Ni 9.06222460 3.63784514 5.42693626 -0.65292462 -0.26142546 0.20158010 Ni 7.26659290 5.45397310 5.39870476 -0.42666734 -0.37730988 0.44942306 Ni 10.84645081 3.64192580 3.64976706 0.48556286 -0.05214515 -0.40575013 Ni 12.69280188 5.40070646 3.63723882 -0.44095843 -0.20347690 -0.31526161 Ni 12.70487904 3.58611703 5.45788761 -0.40027224 0.46205683 -0.39495194 Ni 10.82958518 5.40147965 5.45152171 0.62220119 0.16283410 -0.25249706 Ni 14.51563543 3.63679771 3.61297454 -1.50086736 -0.38011309 -0.35993237 Ni 16.26243406 5.41145889 3.63486421 0.87147314 0.24856151 -0.56379391 Ni 16.27448321 3.66544474 5.43061695 0.61805255 -0.53375964 0.13728308 Ni 14.45368585 5.43572121 5.39884968 -0.66807313 -0.14076571 0.32873771 Ni 0.00977031 7.25391875 3.59539870 -0.71430815 -0.22378532 0.54735460 Ni 1.78784322 9.02401359 3.64052136 1.35149497 0.49290411 -0.08720106 Ni 1.82766676 7.23977691 5.42115252 0.32868210 -0.22637348 0.17452179 Ni 0.02285503 9.08156755 5.45649606 -0.66270437 -0.23276632 0.05105238 Ni 3.64818369 7.24568943 3.67597306 -0.21263738 -0.27205213 -0.69699667 Ni 5.44323298 9.04344955 3.60756047 -0.13140067 0.22617058 0.22247513 Ni 5.43951562 7.25774797 5.41961754 -0.16559386 -0.50930030 0.35237535 Ni 3.58905166 9.00643544 5.42720281 0.49197125 0.62587458 0.04086492 Ni 7.22444368 7.21701533 3.59579839 0.49265269 0.46381723 0.38533192 Ni 9.06207594 9.08129317 3.64782532 -0.31567578 -0.45740790 -0.29192633 Ni 9.06434058 7.22499276 5.39758373 -0.27866179 0.18697114 0.29669481 Ni 7.21565151 9.01943737 5.44379701 0.38854301 0.34272648 -0.29908409 Ni 10.87135896 7.20383182 3.63256115 -0.10434959 0.09078380 -0.30925411 Ni 12.65849099 9.01516169 3.64297174 0.15427220 0.17684690 -0.55992794 Ni 12.64689902 7.18623633 5.39968737 0.36490365 0.41020275 0.29837815 Ni 10.88825166 9.00405330 5.40162923 0.02046083 0.48981565 0.41068217 Ni 14.49331983 7.23189998 3.61751407 -0.98915087 0.27888213 -0.13006847 Ni 16.25883112 9.03118962 3.65478368 0.62550503 0.26283143 -0.09369111 Ni 16.26878300 7.21491930 5.40472815 0.68844824 0.20657273 0.27248803 Ni 14.44981143 9.08547732 5.46105292 -0.57298163 -0.71910440 -0.18597869 Ni 0.02146745 10.86465079 3.63493292 -0.47885156 0.26165906 -0.10046085 Ni 1.84183501 12.70011554 3.60174540 0.69519278 -0.39526543 0.06529109 Ni 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14.46248079 10.82586329 3.60723104 -0.68511848 0.34366435 0.35190988 Ni 16.31640826 12.67518370 3.56758201 0.29464356 0.23378906 0.56473222 Ni 16.27103407 10.88338780 5.44166940 0.56018798 -0.28940868 -0.30643548 Ni 14.49946175 12.70197353 5.41718521 -1.02955957 -0.68057557 -0.28820821 Ni 0.02045587 14.42619929 3.67441742 -0.81626602 0.25550759 -0.31290850 Ni 1.86325651 16.29969421 3.62961695 -0.09272593 0.61535015 0.35736237 Ni 1.80169890 14.45912590 5.43614644 1.08020795 -0.37630364 -0.31586206 Ni 0.00657845 16.32442134 5.44432956 -0.51839164 0.30099506 -0.28304710 Ni 3.63978199 14.51633465 3.58990529 -0.23990405 -1.36874949 0.43060742 Ni 5.39980826 16.27128748 3.63949861 0.50409257 0.72458418 -0.23039302 Ni 5.40414013 14.50278743 5.46169227 0.41161710 -1.27309992 -0.25340753 Ni 3.65265808 16.25733932 5.42910707 -0.36710109 0.85548169 0.18018576 Ni 7.27616104 14.49156772 3.64092329 -0.55771209 -0.79501032 -0.52638687 Ni 9.06175324 16.31408567 3.64908289 -0.25878216 0.46273028 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