32 Lattice="7.721424605281571 0.0 0.0 0.0 7.721424605281571 0.0 0.0 0.0 7.721424605281571" Properties=species:S:1:pos:R:3:forces:R:3 energy=-177.914737566 stress="-0.18567249618280193 0.013739699142343392 -0.008926908237818913 0.013739699142343392 -0.2264033144099421 0.027573546294189007 -0.008926908237818913 0.027573546294189007 -0.1850002698082607" pbc="F F F" Zr -0.13977834 -0.22458667 0.10030025 2.72983641 2.64365576 2.51376727 Nb 1.89394988 2.13738881 0.12027217 1.68141090 -3.55046676 -3.11688559 Nb 1.73055192 0.20708119 2.14628857 1.19703496 -2.76703163 -3.69281526 Zr 0.15849438 2.09600377 1.85137441 -4.96001599 -1.20989857 1.58862460 Zr 3.97113110 0.08359293 0.04535483 -2.29154959 -2.01299864 0.55382017 Zr 5.66966737 1.74712041 0.29190308 3.95554490 0.87050043 -0.80558968 Nb 5.83933121 -0.22177087 2.00120554 -5.96914764 2.11745997 2.69046422 Nb 3.91574054 1.93613412 2.06787076 0.78034285 -3.44149972 -1.73913363 Nb 0.42078092 3.80126497 0.15735964 -1.99891795 2.90360202 -2.95085790 Nb 1.92998844 5.82701817 -0.04306514 -0.00298639 -1.76997902 1.52060657 Zr 2.14685910 3.83293932 2.15655525 -1.38427391 1.51682500 -1.20690004 Zr -0.20367489 5.73704368 2.13668254 0.02800700 0.63320716 -0.69645556 Zr 3.95253149 3.70106211 -0.21113731 -1.08641788 0.29869256 -1.66728247 Zr 5.58185929 5.74821750 0.15702580 0.77237515 1.59187862 -1.23285382 Nb 5.93324595 4.10379403 1.90421450 1.27686444 -1.19123892 1.64880445 Zr 3.81596762 5.82316084 2.05521441 1.11000850 2.69858884 -1.07511638 Zr -0.21003844 -0.14225453 3.65436913 -1.41995991 -0.59470919 -0.53873498 Nb 1.84266237 1.83030452 4.09484310 0.20029321 0.35697837 -1.19748730 Zr 1.58639751 0.21674122 5.68836824 0.40474219 -3.06022674 2.36847009 Nb -0.14807946 2.16752875 5.58562276 -2.27406937 -0.72235647 0.98573856 Nb 3.66714938 -0.18570261 3.64416973 3.22861895 -1.48792289 -1.00891599 Zr 5.73439257 1.78654880 3.79245715 3.52247653 0.74742742 -0.93364996 Zr 5.58666097 0.09911618 5.52575966 0.25765310 -1.86159931 0.30695054 Zr 3.72642497 1.96307965 5.98281882 0.70353702 0.59706602 1.72723083 Nb 0.07972240 3.96512049 3.96098874 -2.27387562 -0.17722417 -2.13194049 Nb 2.07893071 5.96759254 3.68822751 -1.10612765 1.78477007 1.86670227 Zr 1.70737269 3.92117378 5.80047872 2.62363739 0.24914074 3.16885561 Zr 0.11543393 5.79866884 5.54402921 -0.97283482 2.29991884 0.71563188 Nb 3.89553224 3.57496857 3.82152491 0.89484464 2.34206330 2.61727017 Nb 5.66341742 5.68185261 4.09362896 1.65088659 1.71488534 -2.88577652 Nb 5.81805831 4.06408699 5.68115754 1.49502079 -2.76118103 1.34857256 Nb 3.96852626 5.58955250 5.66118804 -2.77295881 1.24167262 1.25888579