108 Lattice="10.948452777999773 0.0 0.0 0.0 10.948452777999773 0.0 0.0 0.0 10.948452777999773" Properties=species:S:1:pos:R:3:forces:R:3 energy=-274.8558354454916 stress="-2.9112052873252425 -1.7186429535400802 0.24018313694702131 -1.7186429535400802 -2.262548204640737 0.34624131069409714 0.24018313694702131 0.34624131069409714 -2.413887574122669" pbc="F F F" Ni 0.02898714 -0.00605299 -0.00808629 -0.17132554 -0.13202551 -0.12103118 Ni 1.84177484 1.82898868 -0.02132657 0.25417727 0.65525770 -0.52696339 Ni 1.83035754 -0.00303966 1.84618949 0.34359148 -0.57116272 0.37782546 Ni 0.01477036 1.83455312 1.84402352 -0.67557780 0.28368659 0.29642270 Ni 3.62554127 0.01242373 -0.01510224 0.28167353 -0.36740371 -0.26654985 Ni 5.49206323 1.85381694 -0.02770291 -0.11404585 -0.01565754 -0.24926490 Ni 5.47367094 -0.00504957 1.84039301 -0.12178139 -0.24014967 0.10759499 Ni 3.62684660 1.83813669 1.79644708 0.59924117 0.77178131 0.83056576 Ni 7.33278673 -0.03059915 0.01059246 -0.68657741 -0.20288703 -0.36959788 Ni 9.14187089 1.82864638 -0.01684595 0.33055992 0.36146765 -0.51080109 Ni 9.11362309 0.02867199 1.82170633 0.57123861 -0.41660963 0.54130619 Ni 7.30351071 1.85796382 1.82358693 -0.66617024 0.32573370 0.61345611 Ni 0.02290356 3.68664985 0.02405110 -0.61529518 -0.48299039 -0.65989201 Ni 1.83376381 5.41755686 -0.01993135 0.77875600 0.36801754 -0.40564531 Ni 1.80840986 3.62912765 1.83141651 1.24008817 0.34835066 0.62707481 Ni -0.00597960 5.44683900 1.78971837 -0.37332619 0.37316295 1.02193480 Ni 3.68499591 3.64842038 -0.02127602 -0.12457121 0.10340887 -0.18111943 Ni 5.51122212 5.44438231 -0.01219493 -0.36135984 0.38023578 -0.14341764 Ni 5.50658221 3.66167813 1.81440852 -0.51789940 0.18604491 1.02675309 Ni 3.62271704 5.49072554 1.80585779 0.31912106 -0.39211957 0.74955483 Ni 7.28637583 3.63344719 0.00948084 -0.22673302 0.17836275 -0.69641058 Ni 9.10498404 5.46386649 0.02543680 0.48016069 -0.09981393 -0.66875779 Ni 9.12585745 3.62220995 1.79286745 0.51218713 0.31532887 0.88727139 Ni 7.32901336 5.47494520 1.82836042 -1.31817066 -0.35852472 0.87910829 Ni 0.02922705 7.26420221 -0.02871695 -0.38716855 -0.39021596 -0.40647400 Ni 1.80335957 9.13827455 -0.02821805 0.55218535 0.42665021 -0.32506489 Ni 1.82930296 7.32038212 1.81755361 0.57490726 -1.20926717 0.57529318 Ni 0.01211182 9.09030937 1.82345580 -0.55790098 0.61819712 0.25120097 Ni 3.64030724 7.31174310 -0.00785012 0.29478839 -0.70714374 -0.42383431 Ni 5.48598800 9.15283170 0.03155105 -0.30701249 0.24224846 -0.52556097 Ni 5.49704506 7.31401846 1.85850040 -0.25828096 -1.05386264 0.20608120 Ni 3.64437259 9.08871248 1.84698212 0.22360892 0.67138102 0.39468524 Ni 7.28873179 7.28693362 0.03274060 -0.62253626 -0.46319751 -0.83121806 Ni 9.11643604 9.09693891 0.02959262 0.31293114 0.17563861 -0.22926710 Ni 9.08743264 7.24088244 1.83933316 0.76494377 0.21740439 0.65895449 Ni 7.26992989 9.13986702 1.78848439 0.02322035 0.51013193 1.17433264 Ni -0.01519864 -0.00761322 3.68445416 -0.21093068 -0.22870402 -0.04698309 Ni 1.84256636 1.83769638 3.62716109 0.60417732 0.67595646 0.65822871 Ni 1.85056138 0.00163505 5.46981997 0.48841324 -0.33558443 -0.10302091 Ni -0.01733984 1.84439552 5.47218228 -0.17231780 0.45972150 -0.11738937 Ni 3.64506982 0.03179917 3.63068497 0.33813150 -0.35102255 0.22715837 Ni 5.51969435 1.83914739 3.61817153 -0.47655353 0.68394618 0.44654741 Ni 5.48246103 -0.01160544 5.49108733 0.15023288 -0.15761446 -0.29406364 Ni 3.66796050 1.81271590 5.47871664 -0.04255677 1.05767082 -0.14976849 Ni 7.29246527 0.00242187 3.62977339 -0.32041203 -0.30447274 0.37668215 Ni 9.14016078 1.85829283 3.64541041 0.26023369 0.42993758 0.27593675 Ni 9.12721200 0.01020289 5.49341372 0.27125989 -0.39010288 -0.38176715 Ni 7.31093568 1.85809340 5.49917013 -0.98644201 0.36023735 -0.41922015 Ni 0.03391367 3.64527763 3.66108295 -0.61755954 0.15449530 0.05949266 Ni 1.80050811 5.46165459 3.65213117 1.15319545 0.20139688 0.07944886 Ni 1.81421733 3.68108238 5.50182999 1.08080637 -0.60549284 -0.31628014 Ni 0.02337547 5.45955450 5.50784178 -0.46950834 0.32926924 -0.29100668 Ni 3.67551323 3.64154190 3.65114252 -0.19102942 0.21948258 -0.06114160 Ni 5.45175484 5.50641281 3.62710783 0.19758480 -0.47293706 0.16922074 Ni 5.47142156 3.68199946 5.44113128 0.08203545 -0.23288590 0.10690451 Ni 3.67396456 5.45284222 5.50322704 -0.23449264 0.40317663 -0.61571348 Ni 7.29897234 3.68201500 3.67297119 -0.74001129 -0.12172175 -0.28268422 Ni 9.09537041 5.48054232 3.64717712 0.77222270 -0.37060017 0.00365186 Ni 9.09835050 3.67695001 5.49738252 0.71344272 -0.14836780 -0.24115188 Ni 7.33333402 5.47337660 5.44825231 -1.42823567 0.17068157 0.33598528 Ni 0.01128328 7.32363043 3.63276341 -0.38829827 -1.00919979 0.38199646 Ni 1.84366934 9.12241115 3.64120492 0.55809955 0.44094365 0.22679733 Ni 1.85999786 7.31347186 5.50854024 0.52058017 -0.93727275 -0.45632566 Ni 0.02006799 9.14771402 5.45744165 -0.29169025 0.32825792 -0.01844807 Ni 3.66739213 7.26971831 3.63450961 -0.23818206 -0.56181146 0.53982840 Ni 5.51706525 9.11640267 3.66462450 -0.39332062 0.50844953 -0.11250277 Ni 5.50799233 7.31238663 5.45940216 -0.44943081 -1.03132643 0.34401020 Ni 3.66733134 9.14424914 5.45979271 0.10538844 0.20345009 0.06966432 Ni 7.29293997 7.28760295 3.67557767 -0.57259344 -0.58315492 -0.45138341 Ni 9.14839653 9.11496675 3.68181625 0.21170032 0.26170033 -0.44633802 Ni 9.10961973 7.28837227 5.45920550 0.70580210 -0.63651934 0.29386031 Ni 7.31999135 9.09520719 5.44922769 -0.52919160 0.72182042 0.46098525 Ni 0.02262509 0.01785356 7.27368660 -0.51212279 -0.53243610 -0.23630845 Ni 1.81912875 1.79258025 7.32415737 0.83758524 0.98054248 -1.18462763 Ni 1.85227448 -0.03360272 9.14448751 0.13443577 -0.31312892 0.32568723 Ni -0.01845609 1.87951196 9.09838408 -0.45201510 -0.11305426 0.58567946 Ni 3.68898657 -0.01494243 7.30297068 -0.11332801 -0.44455758 -0.47799039 Ni 5.47766816 1.84633630 7.28822123 0.02811307 0.68248091 -0.63428859 Ni 5.50870347 0.02190254 9.13528661 -0.23714745 -0.33203771 0.32981241 Ni 3.61676625 1.82111367 9.10328484 0.51966504 0.68192880 0.49694034 Ni 7.33512773 -0.00581924 7.32688367 -0.90312047 -0.52205021 -0.71552967 Ni 9.11770988 1.80716175 7.27637357 0.63222314 0.75184381 -0.21686073 Ni 9.13953590 -0.03229554 9.12187971 0.23058499 -0.07261769 0.23937839 Ni 7.30116359 1.82312622 9.14811300 -0.40878519 0.53263157 0.35812941 Ni -0.03141446 3.63911228 7.29375766 -0.35328854 0.29131902 -0.45324678 Ni 1.84487057 5.44534714 7.31311515 0.27799673 0.38290150 -0.56647949 Ni 1.80948400 3.62470926 9.11368013 0.56944796 0.39669587 0.48730395 Ni -0.02401199 5.50725869 9.15056257 -0.10463966 -0.14089101 0.07114408 Ni 3.63916354 3.66536229 7.27788060 0.29092536 -0.40036465 -0.46918819 Ni 5.46326129 5.46798696 7.27131575 0.24077383 0.27395504 -0.46976051 Ni 5.50477278 3.65555088 9.10597638 -0.42851011 0.02524765 0.35277033 Ni 3.63200530 5.46703272 9.12180752 0.30273150 -0.13936285 0.35540975 Ni 7.29268149 3.68333993 7.28614397 -0.90433416 -0.21435571 -0.61807598 Ni 9.10292763 5.45006585 7.31419234 0.66616989 0.27539241 -0.60080719 Ni 9.09887079 3.61651142 9.09336264 0.47535860 0.10519920 0.47373677 Ni 7.30213200 5.47865915 9.14160198 -0.59555790 -0.17934827 0.44454471 Ni -0.01001440 7.32409486 7.28025632 -0.39732658 -0.74159070 -0.40499538 Ni 1.81597455 9.14358093 7.32591717 0.74668237 0.63187940 -0.68473616 Ni 1.84720035 7.31210648 9.12300796 0.36730532 -0.51443964 0.52077072 Ni -0.00539819 9.13124473 9.11162649 -0.26337279 0.17344810 0.30939436 Ni 3.64309118 7.31255580 7.30224931 0.44051024 -0.72298163 -0.69872294 Ni 5.50393724 9.11138536 7.32281125 -0.16815578 0.36855417 -0.92971005 Ni 5.49220768 7.27246120 9.15395098 -0.30124833 -0.56034726 0.27122481 Ni 3.69834142 9.15508497 9.12552589 -0.07574737 0.22486698 0.33727222 Ni 7.32669971 7.30157676 7.32807996 -1.10725464 -1.00672780 -1.22661966 Ni 9.14569903 9.10160580 7.32700709 0.43935488 0.54955420 -0.72567816 Ni 9.09909321 7.29963243 9.11228571 0.71441395 -0.56294266 0.72310474 Ni 7.29462933 9.10797945 9.10946346 -0.40052004 0.64353121 0.70156569