108 Lattice="11.211702919161006 0.0 0.0 0.0 11.211702919161006 0.0 0.0 0.0 11.211702919161006" Properties=species:S:1:pos:R:3:forces:R:3 energy=-553.716731011464 stress="-6.807966601973725 -1.6700094017292137 1.2630348492803591 -1.6700094017292137 1.1591968955004148 -1.340303267506009 1.2630348492803591 -1.340303267506009 -6.663286835519495" pbc="F F F" Nb 0.00965309 -0.02580885 -0.01828941 0.04634321 1.02811567 0.00033130 Ni 1.91351620 1.85061298 -0.00800192 -0.08278784 -0.01969598 0.60746229 Nb 1.82223615 0.03021900 1.85012833 0.37095178 0.36654188 0.45034019 Ni -0.02166486 1.91155149 1.87019118 0.68736173 0.00130558 0.32534892 Ni 3.73722818 -0.01721842 -0.00310574 -0.09348643 0.96166079 0.97928892 Ni 5.57027010 1.83442719 -0.00160345 0.11722321 -0.66467921 0.59304509 Ni 5.63601598 -0.00002179 1.89882274 0.09055630 0.98996098 -0.45654375 Ni 3.70363903 1.88290788 1.89247797 0.08703742 -0.47017509 -0.46780691 Ni 7.49145172 -0.02555729 0.03512381 -0.31936206 1.04485480 0.70162381 Ni 9.31945881 1.81058169 0.00692615 -0.59988800 0.35504549 0.69452824 Nb 9.32772797 0.00324133 1.84261493 -0.55210801 -0.06604850 -0.32464683 Ni 7.49732728 1.84972010 1.83935476 -0.31678183 -0.10866871 0.08328555 Nb 0.03661684 3.70933453 0.01495421 0.80312147 -0.76388948 -0.41710939 Ni 1.89960836 5.60764463 0.00581958 -0.39155088 -0.10685063 -0.21957565 Ni 1.87547142 3.76193812 1.90649040 -0.35821127 -0.90320216 -0.09458117 Nb 0.01440363 5.53943315 1.85564443 -0.28510293 0.07303437 1.55042051 Nb 3.71181824 3.77291273 -0.03626804 -1.48543078 -1.56436311 -1.32615213 Nb 5.62584845 5.63917502 0.03200660 0.74428922 1.83928499 -2.65393701 Nb 5.58540881 3.76538203 1.84031175 1.03103941 -3.02005956 1.76914470 Nb 3.73223586 5.62425929 1.86427892 -1.10834400 0.85956841 1.71411648 Nb 7.45415498 3.74554676 -0.00820014 0.92046189 -2.34812010 -1.26826293 Nb 9.36885714 5.59489447 -0.03114825 0.65599242 0.34454881 -0.77301846 Ni 9.36718392 3.71574440 1.86294474 -0.30313351 -0.58938498 -0.18087566 Nb 7.51097414 5.63909012 1.87411628 -0.92875025 0.74876545 1.36454291 Nb 0.02893871 7.48151153 -0.01847433 -0.80564395 -1.11400736 -1.54574291 Nb 1.86956536 9.35510992 -0.02914163 0.86303332 1.63962920 -0.62017250 Nb 1.85577272 7.49405887 1.87965247 0.64149090 -0.79106834 1.54284991 Nb -0.03199014 9.31580207 1.90413742 -1.57666848 0.89734369 0.56781187 Nb 3.71753312 7.47359124 0.01792355 -0.03961579 0.12586106 -1.63710153 Nb 5.61764820 9.29793471 -0.03485243 0.10202116 0.05433983 0.09787068 Ni 5.56189590 7.45124672 1.91447569 0.39221869 0.60293194 0.22844722 Ni 3.75110214 9.35061902 1.85626112 0.18404976 -0.15476520 0.09580635 Ni 7.42940189 7.46851864 0.04919702 0.08134698 0.11252505 -0.19286698 Nb 9.30483457 9.32600613 -0.00829070 -0.07008424 -0.17265091 -0.90254208 Nb 9.34736538 7.47893858 1.86546329 1.33038092 0.75516484 0.79019857 Nb 7.50408237 9.37943765 1.86658326 -0.40074451 0.24746514 0.62907776 Ni 0.02901458 -0.01972601 3.79777678 0.40832895 0.71575169 -0.21584113 Ni 1.83467961 1.85587712 3.74373111 -0.91750511 0.18960504 -0.66594165 Nb 1.88279188 -0.01520161 5.61716002 -1.86832081 -0.80173089 -0.62753579 Ni -0.00320447 1.83907279 5.60100370 0.33368205 0.08505792 -0.27451989 Nb 3.74958212 0.03662197 3.76508237 1.24724474 -1.05183419 -1.59474831 Ni 5.62048084 1.86634309 3.75188443 1.03350064 -0.58444842 -0.54573235 Ni 5.58616293 -0.00992610 5.60803876 0.76972832 0.40728884 -0.05945284 Nb 3.72412563 1.81569928 5.57237990 0.97320824 0.59502256 1.36058395 Ni 7.47027056 0.01646377 3.70395355 -0.37068313 0.54951838 0.50059232 Nb 9.36697778 1.86443149 3.73822676 -0.69012286 1.04412278 0.55076314 Ni 9.33366014 0.01859758 5.59334196 -0.65241107 0.61757265 -0.09618031 Ni 7.47471061 1.90047777 5.61993961 0.05142406 -0.15158828 -0.03475311 Ni 0.00414797 3.74770819 3.72994791 0.56143269 -0.28447026 0.15979588 Ni 1.90376007 5.60971251 3.76084050 -0.84335995 0.63034373 0.58155567 Nb 1.86685719 3.73193723 5.63329973 -1.01609162 0.77125168 0.02614913 Ni -0.01912409 5.63937635 5.62264701 0.67107392 0.13436313 -0.39967475 Nb 3.71769560 3.75038913 3.76502236 -0.73942117 -0.10174767 -1.11909421 Ni 5.66713701 5.60246880 3.71384397 -0.30588978 1.17530046 0.55202012 Nb 5.58411314 3.75029343 5.58584576 1.17958289 0.05035814 1.19725488 Ni 3.70402262 5.61700430 5.66801444 0.30445843 0.62654308 -0.30049484 Ni 7.44273549 3.76964677 3.69687519 0.42036089 -1.06314492 0.05079875 Nb 9.32099246 5.57851675 3.73465042 1.51241032 -0.58771596 0.81586580 Ni 9.32823294 3.73611113 5.58475164 -0.58418356 -0.42475495 0.60247576 Nb 7.47543118 5.62161727 5.59583238 -0.85669384 0.88153561 0.40142412 Ni -0.02166931 7.49003999 3.75282802 0.41568581 -0.33114785 0.67007791 Nb 1.88712232 9.38009411 3.72621179 0.76872866 0.32799439 1.35823610 Ni 1.87361437 7.50731918 5.62665033 -0.21185918 -0.34513230 -0.26138492 Ni -0.00369885 9.33827637 5.62160100 0.61125908 -0.56688023 0.02977740 Ni 3.73257538 7.50305708 3.74689025 0.32613290 -0.26650379 0.67555881 Nb 5.63540554 9.37286046 3.68996024 -1.74293251 -0.35813581 0.38527062 Ni 5.58844691 7.47638899 5.63641703 -0.14217651 -0.48615217 -0.35975260 Ni 3.72970092 9.33366219 5.60337446 -0.02017530 -0.36695016 0.17838108 Ni 7.45181235 7.52569668 3.74565597 0.07064177 -0.00737396 0.32784018 Ni 9.32976607 9.36477949 3.71747887 -0.36132523 -0.56365297 0.21996111 Ni 9.34196362 7.48497262 5.62851541 -0.29000064 0.53952305 -0.16914029 Nb 7.46497575 9.36677479 5.65493260 1.23332154 -0.57514140 -0.39601165 Nb -0.02589160 0.03658051 7.47569390 0.13105833 -0.00224901 -0.26576965 Ni 1.89466671 1.89243379 7.50442391 -0.51354910 -0.50051419 -0.01871069 Ni 1.87891656 -0.00467999 9.36383657 0.01228144 0.24722969 -0.36228542 Nb 0.02621384 1.85486019 9.35447675 -0.22834162 -0.34763828 1.02293602 Nb 3.73717567 0.03274944 7.47456890 0.06518258 -1.83507370 -0.00489701 Ni 5.60435234 1.84478671 7.49511816 0.64320606 0.47881556 -0.44745704 Nb 5.62610993 0.03255786 9.33693824 0.84392364 -0.44903572 1.13382260 Nb 3.75337807 1.83310129 9.32229322 -1.02453280 0.70674262 0.79735658 Nb 7.47188475 0.00306242 7.47504879 0.52402567 0.56613298 -0.96288145 Ni 9.34797125 1.89201980 7.48663414 -0.70766149 -0.03476896 -0.45616054 Ni 9.30919740 0.02225762 9.30878138 -0.79663318 0.94888189 -0.49575379 Ni 7.43811057 1.90286139 9.30585040 0.46263194 -0.09049437 -0.41631937 Nb 0.01822720 3.71742962 7.47785270 -1.59999736 0.05548557 -1.48470164 Ni 1.88064715 5.60499224 7.49455452 0.26325028 0.05843648 -0.39396750 Nb 1.84695062 3.73137032 9.33461940 1.95300485 1.07547036 0.72581307 Nb -0.02088491 5.61467095 9.33257605 -1.18509638 -0.16872917 1.06336579 Ni 3.70841588 3.70136025 7.43758257 0.26799535 0.63796472 0.51673276 Ni 5.59157581 5.57533478 7.50111530 -0.07508208 0.24864639 -0.32432378 Nb 5.62471351 3.71749379 9.37075124 -0.19613626 -0.16402974 -0.41264869 Ni 3.79634238 5.54629758 9.34299105 -0.34348688 -0.08576691 -0.38160911 Ni 7.44270369 3.76825133 7.49111433 0.35633277 -0.95044301 -0.34316183 Nb 9.34688208 5.65211841 7.50983043 1.22257583 -0.32230779 -1.84246088 Nb 9.35618768 3.70259094 9.32191886 -0.08128244 -1.07515046 0.20201462 Nb 7.45539051 5.60096966 9.32608856 -0.85641345 0.04722996 0.63463638 Nb 0.01042130 7.47560542 7.49382896 -0.44661776 -0.42992693 -2.74685476 Ni 1.83987276 9.34853360 7.49380547 0.41276355 -0.01511003 -0.83004793 Nb 1.83229751 7.44496702 9.35052190 1.70063284 -0.88931122 1.46497507 Nb 0.03587631 9.30583904 9.28765945 -0.17452418 0.97051052 0.48470361 Nb 3.74548934 7.45925477 7.49623289 -1.28577798 -1.52285539 -2.33232266 Nb 5.59238350 9.32622804 7.48627458 0.92760338 1.44924298 -1.00040055 Nb 5.57056523 7.50391686 9.31894023 1.38377522 -1.32327315 1.61977851 Nb 3.75474051 9.36862544 9.36850895 -1.39377681 1.65541724 0.98881660 Ni 7.48153532 7.44452773 7.45735367 -0.24205460 0.60710169 0.01861925 Ni 9.31964462 9.35891719 7.43039701 -0.71790080 -0.90069499 0.29532051 Nb 9.28990844 7.48872206 9.34820965 0.02145935 1.22934717 0.14588972 Ni 7.48555068 9.36288925 9.37037314 -0.03311655 -0.48824846 -0.82077630