108 Lattice="11.3417391700727 0.0 0.0 0.0 11.3417391700727 0.0 0.0 0.0 11.3417391700727" Properties=species:S:1:pos:R:3:forces:R:3 energy=-552.0166712380425 stress="-0.00983796072298187 -0.003996502590585215 -0.002327892137168505 -0.003996502590585215 -0.010277527861130105 0.0028881896169622666 -0.002327892137168505 0.0028881896169622666 -0.009021992511169188" pbc="F F F" Ni 0.00795158 0.01475111 0.02808184 0.70755570 0.36806624 0.73481313 Nb 1.89730199 1.85328899 0.01775876 0.14008645 0.21552290 -0.81175628 Ni 1.88420667 0.00984578 1.92978168 0.31468490 0.43820218 0.14942926 Nb 0.00234126 1.87208707 1.92562745 -0.96230910 0.27512270 0.04208992 Nb 3.80182518 0.02126354 0.01869357 0.00727934 -0.63194571 0.54479751 Nb 5.71472751 1.94764375 0.02542230 -0.54614438 -0.21320803 0.36414962 Ni 5.64903358 0.03625983 1.85554413 0.41908150 0.84066640 0.61250648 Ni 3.75874253 1.87620144 1.86930952 0.45498961 -0.46141769 0.49270836 Ni 7.54011124 0.03586056 0.01977788 0.09295358 1.01912320 1.03642767 Ni 9.43990327 1.90101069 0.00151596 -1.11040056 -0.11203788 1.27898031 Ni 9.48614707 0.01072854 1.88210211 -1.21792721 1.08055323 -0.13304980 Ni 7.59186682 1.90487960 1.89018493 0.01135237 -0.48577233 0.12311141 Ni 0.06643130 3.79036057 0.01400139 0.19453977 0.00765945 0.15857819 Ni 1.89461028 5.63804478 0.06020209 -0.32812225 0.28836980 -0.18800232 Nb 1.94486514 3.74286938 1.92406697 -0.68782208 -1.02779642 -1.28578529 Nb 0.03246194 5.65257981 1.92550207 -1.11003622 0.79347439 -0.72810445 Ni 3.80607856 3.80762702 0.06096850 0.06150470 -0.41021668 -0.05356910 Nb 5.69369364 5.67438572 0.02756114 -0.77381775 -1.59306349 -2.66167900 Ni 5.68056685 3.78191550 1.87801511 -0.04962142 -0.72751756 0.59719797 Nb 3.77984626 5.70201588 1.87228479 -0.02155597 -1.42459038 -1.20608775 Nb 7.52376259 3.78342465 0.00515252 1.96906670 -0.59635035 -0.39565755 Ni 9.48267856 5.69393027 0.02478406 -0.53511420 0.01475347 0.73046899 Ni 9.42324792 3.81551238 1.90240155 -0.28556492 -0.40136619 -0.44505224 Nb 7.53726388 5.65481530 1.85590072 1.19144831 -0.63879119 1.98260694 Ni 0.01648058 7.56237301 0.00969209 0.82635101 -0.20162668 0.61746010 Nb 1.86333971 9.44471050 0.01231850 -0.10309125 -0.08274848 -0.57569564 Ni 1.92498857 7.56813514 1.92307746 -1.17856603 0.42531989 -0.61147690 Nb 0.01163936 9.45322769 1.88993529 0.19989300 -0.93800368 0.98515484 Nb 3.80542991 7.54829387 0.00172933 -1.78858735 -0.30495200 -2.42097285 Nb 5.68896363 9.45526645 0.01275673 0.33725955 1.57436299 -0.86233881 Nb 5.63356941 7.52696887 1.91988665 2.52097087 0.84907608 1.21280027 Nb 3.78766769 9.43350226 1.87995112 -1.78339406 2.27867251 0.61872326 Nb 7.52793899 7.59622194 0.01890890 2.37081436 0.43619807 -1.05357929 Ni 9.45847612 9.41747109 0.00635020 -0.90704117 -0.68369972 1.00887980 Ni 9.46722055 7.55185134 1.92280670 -0.66576176 0.48306572 -0.38272992 Ni 7.53682529 9.47670978 1.87418934 0.75797852 -0.40899501 0.31376533 Nb 0.02698571 0.00438563 3.80138435 -0.42686255 -0.83401847 -0.74476899 Ni 1.85508740 1.90686579 3.73271123 0.66298248 -0.78941887 0.04044058 Nb 1.86388651 0.03077882 5.63999160 2.66200295 -0.34985434 0.21011328 Nb 0.03024224 1.86403570 5.67995386 -1.28623574 1.48604608 -1.04713624 Ni 3.79470222 0.01591705 3.79531105 -0.05171794 1.14731061 -0.41384071 Ni 5.65235082 1.92259537 3.81497827 0.36601882 -0.65881364 -0.40930344 Ni 5.64837711 0.02151248 5.68920200 -0.19365743 1.01816575 -0.09628538 Ni 3.74799388 1.87361932 5.73833851 0.39407418 -0.57813076 -0.15106086 Ni 7.60753726 0.03518021 3.78738952 -0.29235430 0.89936690 -0.06962744 Nb 9.48545019 1.92505660 3.75019547 -0.54014207 -0.68336053 -0.59832013 Ni 9.42274019 0.00143910 5.70341718 -0.67161019 1.00694461 -0.09899632 Ni 7.54534292 1.86723066 5.61074626 -0.23625237 -0.08340267 0.24269683 Ni 0.03537109 3.75123804 3.78115675 -0.25022056 -0.41408881 0.04041464 Nb 1.92330071 5.67977902 3.78372909 -2.58386707 1.62719671 -0.05210243 Nb 1.90134546 3.81838541 5.64806167 -0.35954241 -2.54486858 0.73485369 Nb 0.01786486 5.63338040 5.66374564 -1.53745122 0.91899563 -0.31712244 Nb 3.74353522 3.75892441 3.76663858 3.14260288 -2.77530433 0.15167409 Ni 5.67781531 5.66968557 3.77927120 1.43131082 -1.10157941 0.37277254 Ni 5.63394782 3.76107131 5.68550357 1.03235270 -0.70581773 -0.43543878 Nb 3.83594919 5.65944101 5.70862447 -0.31975837 0.45906160 1.25601202 Ni 7.56562853 3.72161312 3.71622311 -0.59628986 0.05968797 0.33619079 Nb 9.43833272 5.69395797 3.75138976 0.08697806 0.50174201 0.39689805 Nb 9.45724968 3.76790342 5.72168483 0.19999545 -0.88267550 -0.39254160 Ni 7.57370463 5.63315187 5.65499691 -0.11998539 0.39751255 -0.56406143 Ni 0.01930357 7.54670496 3.80823783 0.34488419 0.58657626 -0.05841585 Ni 1.85907259 9.47339057 3.72087129 -0.19541293 -0.44503033 0.18597662 Ni 1.88393539 7.52414719 5.68328711 -0.32195486 0.52555006 0.33579429 Nb 0.03291497 9.45163013 5.66985781 0.04507288 -0.02340401 -1.44307287 Nb 3.80053210 7.53231502 3.83237944 -2.17466059 1.01332260 -0.27422423 Nb 5.64259792 9.42428182 3.79942537 1.97182927 2.72237419 -0.99480362 Nb 5.65457390 7.57226141 5.66826860 2.67390485 -0.28615627 1.41815324 Nb 3.75961944 9.45527083 5.66789231 -0.86754944 1.49812976 0.96487389 Ni 7.52363991 7.57346411 3.78009566 0.86682183 -0.19153111 -0.11907729 Nb 9.47275369 9.44843255 3.81547497 -0.29154730 -0.96974774 -0.97029066 Ni 9.41806991 7.55011801 5.66449785 -0.66202232 -0.10986326 0.27830314 Nb 7.59643179 9.44692385 5.63544130 0.22546009 0.17397259 1.92059693 Nb 0.01663395 0.05935949 7.52339417 -0.79040076 -0.35064121 0.80782434 Ni 1.85644461 1.84082409 7.61822491 0.38422578 0.32663113 0.04046716 Nb 1.90702512 0.06250160 9.47684205 0.09206790 -0.37879850 -0.19712867 Ni 0.01173414 1.85960804 9.47017192 0.69412149 0.29590074 -0.52620576 Ni 3.74850645 0.00072396 7.51894835 0.31521481 0.66783260 -0.04429605 Ni 5.66769708 1.92051344 7.58402305 -0.13579754 -0.64104336 -1.07727960 Nb 5.69557779 0.03622947 9.44698466 -0.97621824 -0.61372097 0.12055484 Nb 3.76389489 1.88630353 9.43438335 -0.28355121 0.02293192 0.40408312 Nb 7.52840382 0.01726885 7.53637286 0.75418307 0.22704159 -1.38129928 Ni 9.47941814 1.91612976 7.58700871 -0.35365584 -0.68125201 -0.40003445 Ni 9.43853895 0.00109065 9.44901493 -0.74068840 0.85022769 -0.62547246 Nb 7.54322496 1.92500515 9.42751519 0.67876902 -0.86468934 1.16956623 Nb 0.00739066 3.74733775 7.57329981 -0.03984057 0.02987980 2.08167504 Ni 1.91393403 5.68006424 7.59700513 -0.10547259 0.31290620 0.66493072 Ni 1.92150294 3.80216248 9.45674790 -0.47072370 -0.03662851 -0.43121157 Ni 0.00866860 5.68193952 9.46437368 0.70111331 -0.15635039 -0.67333702 Nb 3.81068229 3.74723463 7.59866142 -1.10720092 -0.66032865 -0.13364091 Nb 5.70095393 5.69944461 7.54099983 0.99498304 0.61086277 0.76070012 Nb 5.67846750 3.79068684 9.45491763 0.01523274 0.70000886 2.20411017 Ni 3.72537940 5.66782679 9.47788810 -0.10837770 0.17811384 -0.31898052 Nb 7.55167092 3.80231404 7.59736487 -0.74358521 -0.95350839 -1.92722478 Nb 9.48585796 5.63964034 7.54099353 -0.06954559 2.44084104 0.14755543 Nb 9.47914127 3.73443449 9.43625241 0.64512315 0.16001848 0.67466407 Ni 7.55688439 5.66897530 9.45711191 0.51452935 0.49248510 0.03957146 Nb 0.03362073 7.56864249 7.55868575 -1.05150201 -1.11906361 0.46196950 Nb 1.91433160 9.43215623 7.54338898 0.06777244 1.13881029 0.00630356 Nb 1.90028098 7.58747774 9.45629409 0.16076049 -1.68195597 0.85558785 Ni 0.02226282 9.43948185 9.42046757 0.45194482 -0.21836968 -0.44431347 Ni 3.78548139 7.57713910 7.56424634 -0.39154605 -0.05276871 0.49267506 Ni 5.66595612 9.47572559 7.60057835 0.03902105 -0.37035385 -0.16803977 Nb 5.66474622 7.59121126 9.46798698 -0.16177656 -1.05152667 0.08036252 Nb 3.75474745 9.46174166 9.46144393 0.90138049 0.83551819 0.00242432 Ni 7.58519860 7.53530789 7.62237249 0.58198767 0.29267435 -0.30042218 Ni 9.45855878 9.44258113 7.50724950 -0.70836651 -1.07518110 0.00325932 Ni 9.44114830 7.54363334 9.43045151 -0.91352497 -0.04451526 -0.75403515 Nb 7.54105558 9.46657132 9.44681992 0.50921466 -0.29098767 -1.03974932