64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=50.53555771868439 stress="-0.001962381940138485 -0.00045752503418606063 -0.0005405498982615546 -0.00045752503418606063 -0.0017430392466108516 -0.0001321826132599533 -0.0005405498982615546 -0.0001321826132599533 -0.002467430480273684" pbc="F F F" Ni 35.39882057 35.23042826 35.31817344 -176.15045364 -145.22885677 -98.72476404 Ni 36.22360806 35.91032060 35.78089852 181.40473902 131.93658831 91.27304184 Ni 37.86995707 38.01572485 35.49028505 -10.94558698 -8.21933428 -2.45221931 Nb 39.38204405 39.08108167 35.86563397 -4.56956583 -16.20895471 14.71064355 Ni 37.70373972 35.03893833 37.61253073 -0.76848784 0.10642222 -0.66993672 Nb 39.13885400 36.51162095 38.65698199 -5.67215426 -27.69034440 19.81331171 Nb 35.70356778 37.46833282 36.63864452 -4.58943798 13.39996166 8.11487260 Nb 36.45774368 38.52841774 39.18037883 -19.74803260 19.54515732 -14.86151601 Nb 40.19424104 35.34841176 34.97417352 -5.98449860 -9.80412072 -12.76172413 Nb 40.80310611 36.48591902 36.41819221 -11.11460407 24.17093991 3.05124883 Ni 42.43412477 37.15752751 34.95637881 -4.83539428 -11.23851570 -10.13547030 Nb 43.07801375 38.49874878 36.07753579 3.82242804 11.77271065 10.71954667 Ni 42.01194530 35.46209557 37.18270701 14.29598553 -14.40122003 7.34193050 Ni 43.14602403 35.73778894 38.84732277 1.77500651 0.48236512 3.45098024 Ni 39.53756613 37.80765239 37.68260870 7.30750382 30.26325119 -18.74400580 Ni 41.70718749 38.69452641 38.54637803 -34.87034179 56.11064304 -70.82803845 Nb 34.81121256 39.37684505 34.53921184 1.32196543 0.05206521 1.23664385 Nb 36.02446398 41.38360109 36.22713023 4.07620916 -2.53070929 -18.21953300 Nb 37.51570924 42.33179735 34.92959243 2.53050599 0.49774451 -3.91702100 Nb 39.47406683 43.58025162 35.39428951 3.56060058 0.32117469 1.73670981 Nb 36.94338581 39.98229915 37.26503186 6.89686158 -11.13394874 6.18395058 Nb 38.88627495 41.13364405 38.31163994 -9.40983810 -7.38833615 4.95362321 Nb 34.78308263 42.22517215 37.32422608 -16.50234170 8.74478009 14.16386967 Ni 35.69820801 44.15191570 37.97319870 1.25611746 0.72227824 0.53056669 Nb 40.25335861 40.46044858 35.16825160 11.66200127 20.56822797 -16.81766979 Ni 41.21786518 41.69757799 36.42369928 4.83907085 -27.86388646 4.73821659 Ni 42.04508350 42.05723056 35.17789546 38.06024149 16.96282916 -56.85237539 Ni 43.62632299 43.35563851 36.29804044 -1.09990461 -0.89717488 0.93000880 Ni 42.47214569 40.74971055 37.61575364 -23.01347195 -10.63676797 -26.06724002 Ni 43.59558632 41.06332632 38.84040093 26.41122431 7.55368665 30.46432691 Ni 40.27898005 42.12715892 37.55657696 -40.41555351 13.55360976 36.79424216 Ni 41.04031447 43.53972573 38.50377459 7.57821899 13.26261121 9.28857081 Nb 34.77040439 35.52747200 40.02654647 -15.91802237 -15.68158419 -16.21587359 Ni 35.81330551 36.52388729 40.99051197 27.50950114 0.33236777 0.64604553 Nb 37.51745485 37.42613853 40.06143930 17.81074017 -20.28326550 14.79895165 Ni 38.86202501 38.29556655 41.38466109 -45.99762906 31.61602433 -56.91881976 Nb 37.14497993 35.37963630 42.32555011 1.43955193 -0.53099110 0.27259507 Nb 39.08913217 36.46057427 43.69970714 -4.09786601 -8.79823506 8.40894027 Nb 34.83859636 37.56507203 42.00117672 -25.54833379 8.69676809 0.43191727 Nb 35.91004041 38.34349290 43.37899643 11.25080932 6.19656660 14.40531442 Nb 39.97411726 34.65404608 39.98786616 -8.38300280 -17.52588228 -16.46801782 Ni 40.58873739 35.80209715 41.16364784 9.04271077 17.96624816 17.80128306 Nb 42.22645972 37.84274857 39.61062386 32.15889191 -56.68437780 69.69972284 Nb 43.20423237 39.35007008 41.52695615 73.82300653 -26.38547645 -119.98173640 Ni 42.43982005 34.79011820 43.01546608 -34.85767854 -37.60817748 -19.22953760 Ni 43.44331280 35.92514963 43.56896587 33.23441731 39.27633276 18.50140687 Ni 39.71294649 37.74575999 42.46629993 49.90909603 -22.30122847 49.93447281 Nb 41.40596012 38.25573847 43.66083227 -4.99850725 -9.77580490 9.20957315 Nb 35.18649434 40.49968432 40.22474773 -43.85082462 -24.85618672 -51.33643033 Ni 36.11841447 41.02914365 41.31281574 34.44992001 32.98551654 38.39329071 Nb 37.61658079 42.49072582 40.31788400 -1.53169521 -0.63617512 -1.14315288 Ni 39.21832332 43.96596568 41.02248913 -11.53300308 39.52859337 -37.15023648 Ni 37.11288736 39.85610097 42.32157351 13.16923197 -12.03506350 9.71344848 Nb 39.16306365 40.96990504 43.83185773 0.55101953 -1.53666699 -0.86375182 Nb 35.05939051 42.65883045 42.02507947 -12.24610923 -2.09306375 -7.26884299 Ni 36.29793062 43.45602505 43.17661962 10.77401866 5.57603929 8.30374214 Ni 39.80068576 39.84123633 40.19461406 1.47536297 0.78900993 -0.18854533 Ni 41.12753885 41.70704610 41.96150152 10.33175139 -6.95544812 -0.76504507 Ni 42.65483980 43.23861737 40.39124199 -18.06976990 -8.55398144 -20.56604928 Nb 43.73207151 43.71533381 41.66414601 16.03327532 6.38887205 21.47678223 Nb 42.48935844 39.61943173 42.68642733 -67.14051747 37.56554127 111.76980364 Ni 43.38870543 41.22845579 44.16828811 -0.61494333 0.95318068 -0.64558616 Nb 39.59709723 42.85656927 42.09074508 4.73431150 -31.10775228 38.14889704 Ni 41.72394850 43.42733635 44.04631092 -0.01872610 -1.30657652 -1.61935279