256 Lattice="15.237008872026212 0.0 0.0 0.0 15.237008872026212 0.0 0.0 0.0 15.237008872026212" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1347.0030026615323 stress="-0.005495508410452637 -0.0002723651028128034 1.6071222134307533e-05 -0.0002723651028128034 -0.006515962050480863 0.0014150901035723117 1.6071222134307533e-05 0.0014150901035723117 -0.004900472610729667" free_energy=-1347.0030026615323 pbc="F F F" Nb 0.03408008 0.01055085 0.00496581 0.83875756 0.60028472 0.53123859 Ni 1.87868553 1.92615635 0.03916939 0.50902065 -0.37161673 0.08226656 Ni 1.90186412 0.01169799 1.92254932 0.12030397 0.46440681 -0.32583290 Nb 0.01859595 1.92322161 1.91905522 -0.11208993 0.04839173 0.65658690 Ni 3.80177512 0.03164274 0.00041659 -0.47984656 0.54682185 0.79120303 Nb 5.72807403 1.88988961 0.03403203 -0.74872297 -1.09848609 -1.68198758 Ni 5.69663966 0.04682764 1.85777047 0.31871311 0.08912894 0.34329202 Nb 3.78766185 1.87435948 1.89537817 -0.81543116 -0.35426058 0.18103815 Ni 7.60906192 0.01368726 0.02757056 0.16766232 0.59469311 0.40670962 Ni 9.53070277 1.93234704 0.03061670 0.11225236 -0.53817385 0.00046018 Nb 9.50693788 0.01412146 1.88800783 0.20691506 0.11683489 0.64650936 Nb 7.62410097 1.92702366 1.94097809 -0.01184927 -2.62428069 0.40898146 Nb 11.46061192 0.00930730 0.06071187 -0.23722457 0.44749871 0.12888848 Nb 13.34931878 1.91750767 0.02533979 0.29592375 0.17360119 1.00686021 Ni 13.34386533 0.00718632 1.86932320 -0.82976450 0.67673619 0.51966631 Ni 11.40765929 1.89210775 1.92041768 0.36395710 -0.05494126 0.50031755 Nb 0.00140199 3.78342032 0.00038871 -0.84855530 -0.62516420 -1.40957404 Nb 1.86789101 5.68581335 0.02269872 1.85700685 -0.40628894 -1.96669363 Nb 1.91085239 3.82354268 1.87709439 1.70505404 -0.14509841 1.87110758 Nb 0.03545820 5.69818775 1.91457001 -1.85174736 -0.86242115 1.83060913 Ni 3.82330006 3.81091723 0.03200472 -0.28228815 0.08422852 -0.02382215 Nb 5.73210058 5.77496844 0.01870590 -1.83543332 -0.42146652 -1.12149029 Nb 5.72595395 3.79897351 1.91096743 -3.13093814 0.82820156 1.26491891 Ni 3.74869421 5.72011183 1.90468293 0.44043463 -0.01251040 0.65923994 Nb 7.62398192 3.77394218 0.03101650 0.53901954 -0.70144935 -3.12348588 Nb 9.52368130 5.67778061 0.01264390 1.52523247 1.17496786 -2.35033237 Nb 9.51376228 3.84533734 1.89925912 3.09170193 -2.60671063 0.58039882 Nb 7.64369023 5.70020332 1.89148665 -2.30625964 1.17482522 0.12434241 Nb 11.42189486 3.78363076 0.07413328 0.86565591 -0.23293143 -0.42379760 Ni 13.31538596 5.74587417 0.00692021 -0.83885286 -0.10142290 0.83252035 Ni 13.34191129 3.85588915 1.94043265 -0.75321781 0.01777003 -0.13999068 Ni 11.43553267 5.66006839 1.91620336 0.99323622 0.02312833 -0.54015648 Nb 0.00137347 7.58456789 0.03705102 -1.37171459 0.83053730 -0.73299176 Nb 1.91533073 9.51391319 0.01589930 -0.30417591 0.19247208 -0.96014123 Nb 1.88322284 7.61730754 1.88363780 1.69341576 0.73938499 2.63832797 Ni 0.03905835 9.55623411 1.92882136 0.04799767 0.13411149 0.22070617 Nb 3.77962679 7.64405983 0.02268471 1.53883280 0.53263653 -0.21940866 Ni 5.73015774 9.50073758 0.01299683 -0.21864180 0.40479502 0.48901692 Ni 5.74530852 7.65042204 1.89962229 -1.49187335 0.19848227 0.30000774 Ni 3.78986731 9.52245054 1.94200186 0.73577018 0.16991151 0.62163885 Nb 7.61357734 7.63271301 0.01320206 -1.51871957 0.53645575 -2.22341287 Nb 9.49172766 9.49606338 0.00219977 1.96250360 1.87409886 -1.22116175 Nb 9.53756456 7.68821012 1.90137526 2.94568166 -0.65757566 -1.54847903 Nb 7.61824708 9.55381966 1.86407084 -2.46334419 2.83557167 -0.00743515 Ni 11.43758257 7.64627858 0.02753328 0.37464060 -0.40476784 0.24593658 Nb 13.36462805 9.53336969 0.02331456 -0.92455811 0.39272713 -0.35559570 Nb 13.33558601 7.61908322 1.90274318 0.16231943 -0.00225296 -0.72011957 Ni 11.43407389 9.50809415 1.88501632 0.49504439 0.89834994 -0.53147328 Nb 0.02314180 11.44454016 0.02530405 -0.98020881 -0.37993824 -0.05292861 Nb 1.95052858 13.29542938 0.02785834 -0.43072871 1.45078852 -0.78741749 Nb 1.89163156 11.46153940 1.91423393 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3.82117300 0.02724995 0.02224867 -0.37678630 Ni 1.93225914 1.90295099 3.77172695 -0.43445252 0.53993468 0.38970729 Nb 1.91967434 0.04127867 5.68047739 -1.17549721 -0.28123736 1.27915795 Ni 0.01409509 1.88400533 5.74371975 0.84437957 0.51758743 0.09152121 Nb 3.80492954 0.02953712 3.83874254 -0.01501276 -0.94659715 -1.58569882 Ni 5.69596384 1.93108331 3.76691568 0.23825116 -0.69555802 0.24398132 Nb 5.74300730 0.00405865 5.67262689 1.77814992 -0.80240132 -0.34043012 Nb 3.82982956 1.89415644 5.73230617 -1.51366282 2.35058537 -0.76099241 Ni 7.63692371 0.01545316 3.78596217 -0.10122306 0.64590309 0.28264279 Ni 9.52088206 1.91871636 3.78261037 0.66761330 -0.64258032 0.75596419 Ni 9.56689744 0.00508492 5.76403209 -0.27453588 0.90469376 -0.36018807 Ni 7.63738895 1.88270042 5.69339121 0.66759404 -0.27938231 -0.00741995 Ni 11.40152209 0.01172269 3.78036293 0.04732249 0.59987319 -0.18858339 Nb 13.33685583 1.93833087 3.84374933 -0.12387881 0.68997132 -1.87078606 Nb 13.36827983 0.00586436 5.69792770 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0.38618944 -0.88744324 Ni 9.50425402 13.35767064 3.81999460 0.06207599 -0.53603672 -0.30129766 Nb 9.49111995 11.41624656 5.70454185 1.69570763 1.63685488 -0.39095538 Nb 7.58234021 13.32689380 5.74399470 0.45302213 1.88478497 -0.63966057 Nb 11.41898419 11.39236153 3.86382263 1.16512590 0.85212667 -0.50562085 Ni 13.36708318 13.33803272 3.77446542 -0.88724444 -0.68358160 0.11111281 Ni 13.34710825 11.43347353 5.73502972 -1.05804183 0.01468020 0.05333009 Ni 11.39514098 13.33316782 5.69819933 0.62600953 -0.46155364 0.22172917 Ni 0.02247292 0.03035259 7.63211287 0.56878235 0.58622149 -0.38797707 Ni 1.91321197 1.91996698 7.65450790 -0.62367544 0.63448788 -0.45419158 Nb 1.87953897 0.02113710 9.50138594 -0.95422254 -1.83019732 -0.58489050 Nb 0.02137027 1.91285167 9.54773046 -0.82805289 0.36797054 -1.43771989 Nb 3.79966954 0.01582798 7.64774582 -0.69656046 -2.07272036 -0.33771291 Nb 5.71907295 1.89216456 7.61951796 2.34003581 1.51911901 0.58908577 Nb 5.72166112 0.02411072 9.52205462 1.26896447 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0.60995000 0.74587220 Ni 5.75278432 5.74447503 7.61820307 -0.17985168 -0.40245398 0.97498587 Ni 5.75976034 3.79997129 9.53694559 0.32592150 0.57767421 -1.03330285 Ni 3.79815547 5.69641660 9.51560338 -0.29919902 -0.09985563 -1.16878238 Ni 7.62777496 3.81626587 7.61116350 -0.05504315 -0.44601326 0.46461775 Nb 9.49059282 5.72211496 7.59669448 0.47344571 -1.14928320 1.27559515 Nb 9.48802898 3.80179236 9.53215035 0.90094257 -1.26431631 -0.72092655 Ni 7.59417525 5.74666503 9.54143983 0.05745064 0.03043539 -0.43483371 Ni 11.46953784 3.82908628 7.59772685 0.03467954 -0.22854773 0.16590487 Nb 13.31964556 5.71915755 7.64133611 0.18906390 -1.38676940 0.52614502 Ni 13.30191803 3.78173819 9.54178064 -0.78325066 0.14172845 -0.08577041 Ni 11.42635511 5.72170438 9.51012967 0.59487205 -0.46765895 0.51812998 Nb 0.05409517 7.63038737 7.65187093 -0.21170943 0.98098933 -0.14063075 Ni 1.96737683 9.51006130 7.55315205 -0.29653089 0.01414146 0.45071012 Ni 1.89071946 7.61675461 9.51705037 0.66658205 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13.34707513 0.78188882 -2.38834575 0.83949889 Nb 7.59912488 5.69160372 13.35603428 -0.74005336 1.56241758 1.30314187 Ni 11.47762648 3.75178181 11.38196356 0.06748614 0.21758152 0.02148064 Ni 13.36844176 5.74478056 11.46345319 -0.68248157 -0.47798236 -0.90690565 Nb 13.35208601 3.86885661 13.31932497 -0.38401797 0.14561378 -0.20112768 Nb 11.38168107 5.74497300 13.35421325 0.22184240 -0.45498781 1.07623238 Nb 0.02866518 7.56213758 11.42990033 -1.16433940 0.53754814 1.05695473 Nb 1.92829897 9.52134336 11.41286968 -1.55613147 -0.42905073 1.78186161 Ni 1.89403289 7.63492144 13.35462050 -0.40560531 0.08776227 0.06538384 Ni 0.02366025 9.48021241 13.36382844 0.91065801 0.23149603 -0.86165089 Nb 3.85863247 7.59051266 11.43314252 -0.40431770 0.47532701 -0.19820212 Ni 5.71156667 9.57631994 11.46801188 0.91433033 -0.00883800 -0.15261225 Ni 5.68456340 7.63162975 13.35085668 0.55480759 0.10092528 -0.40166697 Nb 3.84116287 9.49071396 13.35509251 0.49544878 0.23942782 1.32324826 Ni 7.67851014 7.62453294 11.39291077 -0.34187582 -0.01105701 0.13504911 Nb 9.49607243 9.52727763 11.39656826 0.26104333 -0.12798182 0.01522904 Ni 9.50752701 7.58084769 13.29441377 0.01994344 0.37851770 0.01722434 Nb 7.58741859 9.47858563 13.33687975 -0.49549577 0.07926565 -0.21577509 Nb 11.44360352 7.57486947 11.46015833 -0.41859032 0.48851678 -2.14671532 Nb 13.32329935 9.53651139 11.40793915 -0.10451703 1.37804801 -0.45435777 Nb 13.29664472 7.55830136 13.30090717 0.86309545 0.20021993 0.84098067 Ni 11.35988107 9.52344578 13.33305705 0.06125410 0.22196972 -0.37789355 Ni 0.00599800 11.36824140 11.44599760 0.62143488 0.51669475 0.74517486 Ni 1.91185093 13.34713230 11.46524879 -0.43951411 -0.70268013 0.07557373 Ni 1.90275110 11.44984894 13.35624331 -0.76351811 0.05906898 -0.71139288 Ni 0.00683332 13.29825758 13.30473949 1.22021829 -0.93779942 -1.20520525 Nb 3.79628525 11.40685854 11.42260024 1.70720238 1.39603241 0.11866746 Ni 5.74442640 13.34153933 11.41099766 0.08409558 -0.78667142 -0.16801375 Ni 5.74830822 11.41458692 13.36034157 0.07762057 0.25789271 -0.78224888 Nb 3.77455772 13.27919288 13.30122283 0.26258623 -0.14457633 0.02639060 Ni 7.62921104 11.47086021 11.45129093 -0.86237959 -0.27562002 -0.16768530 Nb 9.47839066 13.29704096 11.40330638 0.38711878 0.12758260 0.56218173 Ni 9.52697731 11.42216494 13.33941710 0.32741983 0.12746152 -0.61072874 Nb 7.62115589 13.33951693 13.29718494 -0.75406887 -0.85082699 0.01967804 Ni 11.43435823 11.38882843 11.46517471 0.44595679 0.44181066 0.33013490 Ni 13.30837159 13.34287970 11.46982773 -1.13286308 -1.27965501 0.02066983 Ni 13.30509296 11.47247256 13.31520868 -1.15234336 -0.12915869 -0.99844079 Ni 11.41117634 13.33442125 13.34133997 -0.11885635 -1.13118170 -1.23572266