256 Lattice="15.277855703021832 0.0 0.0 0.0 15.277855703021832 0.0 0.0 0.0 15.277855703021832" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1351.2811425460766 stress="-6.1741298293957065 -9.01777318567077 -2.851205504300835 -9.01777318567077 -5.760686497157561 2.864464243059114 -2.851205504300835 2.864464243059114 -3.300493349824123" pbc="F F F" Nb -0.00755041 -0.00340295 0.00933771 1.14266276 0.38301124 0.38000957 Ni 1.92727290 1.87555924 0.02118815 -0.00930470 0.17035030 0.22790855 Ni 1.94066313 -0.02958499 1.87751340 -0.39872084 0.63047610 0.22171051 Nb 0.02681705 1.94473473 1.89269197 0.05175337 -1.05430411 0.10709832 Nb 3.84205949 -0.03508327 -0.00073659 -1.62175923 -0.38345294 -0.50977284 Nb 5.76356182 1.88203953 -0.00633975 1.30311303 0.91504017 -1.24491138 Nb 5.70130558 -0.00934500 1.87182883 1.71047571 -1.06343458 0.45019051 Nb 3.84299202 1.91085202 1.94470504 -1.90176651 -0.31984284 -0.79582584 Ni 7.61732028 0.00070849 -0.01268281 0.09838539 0.22171596 0.42201034 Nb 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1.02326810 -0.12891176 Nb 13.34017135 1.96970519 11.41504143 -0.85684691 -0.22661358 0.11388451 Ni 13.34844682 0.01282671 13.39595617 -1.01094599 0.81507000 -0.96142560 Ni 11.50668128 1.85824682 13.39050060 -0.01882796 0.15321826 -0.91875041 Ni -0.00150009 3.84835868 11.46415231 0.50505192 -0.33358085 -0.21423952 Nb 1.88123565 5.75918140 11.47568143 1.83426808 -2.13536486 0.40481171 Ni 1.90701815 3.83566748 13.35923141 0.23658534 -0.15994973 -0.55639460 Nb 0.00640587 5.73875601 13.33625140 0.00668530 -0.55218820 0.56299683 Ni 3.79161158 3.78709467 11.48043632 -0.01230768 0.62723502 0.53770706 Ni 5.70852028 5.74633530 11.47750557 -0.84636186 -0.87291908 0.49326024 Ni 5.72658339 3.83524673 13.37106024 -0.57707582 0.25023037 -0.42841855 Ni 3.79759881 5.71912591 13.35504655 -0.05379163 -0.38667657 -0.41997891 Nb 7.63759403 3.82311360 11.49451007 0.75802051 0.05102981 -1.07628784 Ni 9.58418657 5.74596485 11.43664089 0.54293005 -0.32886940 0.35683587 Nb 9.54576520 3.84033255 13.33610275 1.66275216 -1.12854286 0.17650646 Nb 7.68508829 5.73587634 13.39354182 -0.21537953 0.14029904 0.74434064 Ni 11.42147303 3.75476795 11.40618911 0.06638142 0.05140534 0.22325586 Nb 13.39524373 5.75930488 11.44589131 0.43487818 -1.69133343 0.28494214 Ni 13.34752823 3.83332858 13.38475406 -0.79305368 -0.14623602 -0.70129676 Nb 11.49423809 5.71582024 13.39530903 -1.01397427 0.19836207 -0.35148936 Nb 0.00357220 7.63875056 11.46212201 -1.69256392 0.23867958 0.38844330 Nb 1.90658948 9.57026573 11.45544746 0.30570285 0.71010333 1.88221458 Ni 1.89162025 7.69663930 13.35732627 0.36382170 -0.13364785 0.17886875 Nb -0.02033033 9.54553278 13.35964134 -0.49068575 -0.04346749 0.36164604 Nb 3.83403552 7.66904437 11.49570886 -0.47209095 -2.24407244 1.52214432 Nb 5.69239252 9.54215830 11.44497113 -0.20885372 0.81300424 0.66326953 Nb 5.72445501 7.65673568 13.40538529 -1.14932777 -0.89013004 1.73752179 Ni 3.83190902 9.53491661 13.39566759 -0.52097860 0.14512520 0.16032867 Nb 7.62155629 7.57201588 11.42190508 1.63664938 0.31903813 0.82205945 Ni 9.56956831 9.53065944 11.49560049 0.02086549 -0.38503165 -0.08723101 Ni 9.52418216 7.66020425 13.34584868 0.43624443 -0.18314864 -0.51499061 Nb 7.61879528 9.55638796 13.33732151 1.81096617 -0.58396976 1.84385810 Ni 11.40831588 7.62302695 11.45274595 0.00809316 0.33414744 0.52265611 Ni 13.34879034 9.53720794 11.43871212 -0.18923406 0.23348687 0.10437527 Nb 13.35572846 7.66956209 13.33768036 0.46659465 0.68914731 -0.31449696 Nb 11.41294474 9.55538697 13.33463699 0.11779271 -1.02767380 0.14494018 Ni 0.00097443 11.46044162 11.47682398 -0.05656647 0.44150504 0.28669238 Nb 1.93043837 13.37062263 11.48237743 0.72883391 0.53459826 0.33206929 Nb 1.90569799 11.48456426 13.38345473 0.74883456 0.34258917 0.59546852 Ni 0.00325123 13.38708620 13.36171201 0.49803415 -0.80518338 -0.83671184 Ni 3.76536567 11.42176077 11.46189127 0.09009028 1.00987504 0.73459347 Nb 5.69620698 13.38638496 11.44089704 -2.04036430 1.39178644 0.17324631 Nb 5.70245923 11.42383796 13.33544674 -1.92262007 0.24771549 1.73276010 Ni 3.86626996 13.38811603 13.37548389 -0.00990990 -0.43276009 -0.37532154 Nb 7.62902333 11.43790082 11.41289185 2.06748174 -0.24245593 0.09593578 Ni 9.51150379 13.39510807 11.46969133 0.51085540 -0.01771959 0.22749213 Nb 9.58392029 11.48514488 13.39320746 0.18847776 0.85122530 0.56758004 Nb 7.60545595 13.38553946 13.35918102 0.53179587 0.81517154 0.33422804 Nb 11.46129204 11.44080893 11.47873951 0.47231603 0.27370891 0.18669309 Nb 13.36512734 13.35390704 11.47511392 0.32450612 -0.28010872 0.30281834 Ni 13.36400934 11.46198405 13.34334256 -0.67222508 -0.21119461 -0.53283453 Ni 11.50604154 13.37715348 13.39444239 -0.17655753 -0.69521349 -0.76624391