108 Lattice="10.985066457229053 0.0 0.0 0.0 10.985066457229053 0.0 0.0 0.0 10.985066457229053" Properties=species:S:1:pos:R:3:forces:R:3 energy=-262.6007307551901 stress="-0.005722423486080477 0.0005103247619126005 7.422581918104928e-05 0.0005103247619126005 -0.0058464823227393 -0.00029238452604955285 7.422581918104928e-05 -0.00029238452604955285 -0.005407836830791502" free_energy=-262.6007307551901 pbc="F F F" Ni 0.03330125 0.03453808 0.01917031 -0.59671685 -0.42259677 -0.54038994 Ni 1.80341566 1.84042340 0.03418382 1.00949622 0.38631261 -0.76304256 Ni 1.79676027 0.00028663 1.79482570 1.21708380 -0.70785038 0.86824825 Ni 0.03008181 1.80233026 1.85805076 -0.89452696 0.87893734 0.42802387 Ni 3.69025556 0.00132514 0.02220712 -0.23235088 -0.32426056 -0.48005045 Ni 5.48670342 1.84551488 0.00586076 0.23774842 0.69507220 -0.51100480 Ni 5.49758901 0.02605447 1.81531393 0.07428927 -0.64252236 0.80025213 Ni 3.69173105 1.82019066 1.82635334 -0.49884518 0.83425403 0.94460160 Ni 7.32147385 0.03227359 0.00474748 -0.40448947 -0.42799158 -0.46542611 Ni 9.18233907 1.81815282 0.02112282 0.38719700 0.56574735 -0.50735602 Ni 9.14159554 0.01924759 1.83399639 0.63072702 -0.45520204 0.49094916 Ni 7.35169843 1.84301975 1.85202946 -0.99706837 0.76082425 0.47707000 Ni 0.01258279 3.62612910 0.02744343 -0.67488951 0.20633564 -0.38728225 Ni 1.81392064 5.46755443 0.03629980 0.76145175 0.41693132 -0.68648747 Ni 1.81409752 3.68090609 1.80977394 0.97581323 -0.31028206 1.38878961 Ni 0.02936903 5.51876339 1.84971102 -0.54754941 -0.10065208 0.69834344 Ni 3.63314551 3.63223517 0.02166535 0.38822597 0.32476062 -0.41821722 Ni 5.51958484 5.51802069 0.00942330 -0.51666223 -0.22136406 -0.21587145 Ni 5.50343550 3.65171403 1.84732211 0.01760541 0.16690758 0.56762196 Ni 3.63198036 5.46142038 1.85013826 0.54882231 0.38809386 0.43776001 Ni 7.35319937 3.68434487 0.02158140 -0.64300211 -0.31652183 -0.60769203 Ni 9.17527855 5.50251335 0.03103726 0.48070681 -0.08665105 -0.33311980 Ni 9.14471057 3.63137327 1.86425923 0.64707353 0.22682518 0.34480089 Ni 7.32461571 5.47671989 1.79606664 -0.71024132 0.05009628 1.34743138 Ni 0.00520135 7.31467470 0.00594422 -0.28119090 -0.37080509 -0.41798082 Ni 1.84378829 9.16311095 0.02013057 0.33867678 0.41123498 -0.44932485 Ni 1.85323207 7.35683227 1.86695828 0.49208591 -1.11682081 0.15121968 Ni 0.00559570 9.13321791 1.82213458 -0.54577588 0.45245672 0.50188642 Ni 3.67868960 7.35924146 0.02601045 -0.07113911 -1.02838423 -0.29218588 Ni 5.47489515 9.17250091 0.03091493 0.25330753 0.33493934 -0.54965419 Ni 5.54070900 7.34854628 1.86490039 -0.51856704 -1.15752952 0.62091211 Ni 3.69224050 9.18383003 1.82086328 -0.12055708 0.48296399 0.72959711 Ni 7.35048399 7.33247223 0.03108289 -0.61703855 -0.36035216 -0.74012997 Ni 9.18048663 9.15459812 0.01026514 0.20409619 0.22861754 -0.20084824 Ni 9.16115626 7.34154661 1.84119964 0.51069434 -0.59612166 0.51724253 Ni 7.32194876 9.17525532 1.82194736 -0.40771130 0.56335856 0.76249189 Ni 0.02225604 0.01111390 3.62821069 -0.44914916 -0.47101589 0.36462452 Ni 1.84428971 1.83382337 3.65187920 0.82808761 0.79527098 -0.19585593 Ni 1.84408530 0.02453820 5.45703309 0.17996533 -0.63456840 0.20982957 Ni 0.01461390 1.82897389 5.51139256 -0.49759204 0.60495856 -0.35685379 Ni 3.63601770 0.00522488 3.68255522 0.30727833 -0.49379791 -0.44524291 Ni 5.49224211 1.81179314 3.64270240 -0.02094112 0.82337062 0.15857010 Ni 5.49351920 0.03603055 5.51017972 0.09541505 -0.53441185 -0.23145635 Ni 3.64025981 1.80595635 5.47286230 0.47238616 1.32592976 0.25237506 Ni 7.35346002 0.01896535 3.63459373 -0.77478326 -0.54417315 0.43036454 Ni 9.13443060 1.86439689 3.71750484 0.66477986 0.10443214 -0.19420421 Ni 9.17105865 0.01402480 5.51041060 0.20639018 -0.30402151 -0.12453890 Ni 7.28099611 1.84555503 5.49034998 -0.13788562 0.45333180 0.07226057 Ni 0.03269306 3.62895933 3.65172073 -0.44151710 0.33157669 0.08615549 Ni 1.85824944 5.50189088 3.69150998 0.59755233 -0.26696406 -0.09959065 Ni 1.85065144 3.64626371 5.46312135 0.54124007 0.29386295 0.28595934 Ni 0.01053739 5.50182666 5.46888212 -0.35450708 -0.46624177 0.13187674 Ni 3.69321887 3.66828090 3.67151873 -0.34411983 -0.31665562 -0.11675702 Ni 5.46730503 5.46350760 3.66875753 0.36940628 0.40944289 -0.12392232 Ni 5.52828781 3.63012916 5.46250692 -0.47213410 0.18933238 0.57953589 Ni 3.71018494 5.45710434 5.51776966 -0.32422979 0.40102946 -0.11384903 Ni 7.35256914 3.66623025 3.69981825 -1.12709051 0.30561056 -0.25397525 Ni 9.13516239 5.48933976 3.63345672 0.37368829 -0.06080957 0.37920832 Ni 9.18225700 3.64211480 5.49379728 0.17066044 0.53711427 0.22909235 Ni 7.29254993 5.49327457 5.55128931 -0.37364125 -0.21778337 -0.48042427 Ni 0.00150779 7.32638617 3.69644945 -0.52172540 -0.55752973 -0.27985171 Ni 1.83973235 9.12769771 3.62985738 0.64488233 0.90935820 0.24938699 Ni 1.83992393 7.33520954 5.46273275 0.85670681 -0.91249963 0.21932709 Ni 0.02520352 9.18985262 5.43362457 -0.31726066 0.34377379 0.28807417 Ni 3.63108311 7.33873548 3.64823544 0.72773509 -1.07202430 0.23517844 Ni 5.46402838 9.13915518 3.66700246 0.25755605 0.35853644 0.17880209 Ni 5.50092286 7.30965315 5.49853615 -0.10485423 -0.70193107 -0.20405902 Ni 3.67459038 9.12244372 5.51633464 -0.01827332 0.54234342 -0.46388616 Ni 7.34522983 7.28943589 3.68517184 -0.94748580 -0.53436522 -0.13469499 Ni 9.16446468 9.14805152 3.64523267 0.24693418 0.35331462 0.19333912 Ni 9.15329458 7.31833609 5.50379823 0.53817831 -0.58731130 -0.25462224 Ni 7.31952120 9.12742091 5.48952955 -0.51336398 0.56221166 -0.17706651 Ni 0.02659368 0.02950256 7.30418882 -0.54088085 -0.57697350 -0.34267328 Ni 1.81869947 1.84103895 7.33348629 0.95822792 0.71722965 -0.77276972 Ni 1.83244644 0.00260258 9.11928386 0.44382035 -0.51982655 0.55237434 Ni 0.00640972 1.82470764 9.18882269 -0.44593729 0.30682443 0.43833811 Ni 3.64354697 0.01744149 7.28751087 0.25791756 -0.45630501 -0.22267119 Ni 5.52312261 1.83461379 7.33985332 -0.46942082 0.81108461 -0.79769361 Ni 5.52166111 0.02144114 9.16101419 -0.20320772 -0.31822463 0.24126576 Ni 3.64772461 1.83196195 9.14183392 0.08758475 0.47877787 0.37876507 Ni 7.35073135 0.02609097 7.33722272 -0.65452445 -0.61656863 -0.62914906 Ni 9.15055736 1.84095388 7.31697150 0.60931194 0.45015437 -0.49296729 Ni 9.14343980 0.00192292 9.15639641 0.32095302 -0.21690209 0.24494541 Ni 7.35993611 1.84796184 9.18331928 -0.74089479 0.44418922 0.58958592 Ni 0.03268191 3.63083810 7.35812184 -0.51385882 0.44221377 -0.84001463 Ni 1.79755890 5.54173870 7.32042659 1.21140639 -0.46566984 -0.75843411 Ni 1.81363249 3.66336766 9.18725387 0.79788513 0.14995520 0.35339456 Ni 0.01974721 5.50110838 9.16974140 -0.50775539 -0.03771178 0.31337985 Ni 3.63331420 3.68289218 7.31196255 0.21003366 -0.26455788 -0.78773103 Ni 5.50725737 5.51186067 7.35298285 -0.03916996 -0.45414939 -1.05395132 Ni 5.46428854 3.64176801 9.12319926 0.25772945 0.14407797 0.46281591 Ni 3.68243511 5.47406173 9.14160900 -0.31850721 0.24325002 0.32813415 Ni 7.35357062 3.66004719 7.35982549 -0.92489325 0.09963895 -1.01987629 Ni 9.13294050 5.52673248 7.32923702 0.68082614 -0.36355465 -0.46170866 Ni 9.16468390 3.64216646 9.16606247 0.46590844 0.30968619 0.32827163 Ni 7.33015997 5.51416698 9.14240467 -0.50858821 -0.32241925 0.64256312 Ni 0.01738479 7.32069512 7.29874948 -0.73269560 -0.22941604 -0.54844943 Ni 1.86380615 9.12156444 7.29240915 0.25663364 0.62096252 -0.26246347 Ni 1.80822535 7.33320352 9.18707390 0.90057513 -0.70504211 0.38559877 Ni 0.03277573 9.13502868 9.14323284 -0.29540182 0.35014926 0.15329678 Ni 3.69507774 7.33977924 7.31763928 -0.32785994 -1.09623143 -0.48394962 Ni 5.48573480 9.17302100 7.30816018 0.06185680 0.42847380 -0.32344586 Ni 5.51430385 7.31443410 9.12275823 -0.21910512 -0.32492918 0.62914059 Ni 3.64734994 9.12971205 9.18958431 0.16055924 0.31344181 0.21848124 Ni 7.35934101 7.35506343 7.33727971 -0.98155632 -0.55956406 -0.74539637 Ni 9.18694651 9.18260805 7.28860954 0.23697465 0.36092425 -0.15309227 Ni 9.14380554 7.35610641 9.17319518 0.46846671 -0.31831663 0.38472626 Ni 7.28723550 9.16343947 9.17305550 -0.19748112 0.47787074 0.24707261