16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-77.534463748 stress="0.07759869786167231 0.049926942537258434 0.13733931828691515 0.049926942537258434 0.1753458493793792 0.03396263214961199 0.13733931828691515 0.03396263214961199 -0.05150257350648014" pbc="F F F" Nb -0.12006196 0.28095696 -0.17535412 6.44730496 12.70753640 6.00853181 Nb 1.76008946 1.37675974 1.32230465 -11.02669106 -3.24385503 -5.70914916 Zr 3.28460712 -0.06160941 -0.26736581 -4.06186441 -2.82777550 -3.24752758 Zr 4.27715687 1.24014891 1.19459270 6.13583735 3.79867294 1.69676759 Nb -0.17256882 2.79546282 -0.29059379 2.82825105 -10.87562917 2.20160237 Zr 1.61893942 4.22956938 1.33885520 -6.01956776 6.17067844 -2.29640683 Nb 3.03926819 3.23010044 0.21829788 6.10140763 2.30732239 -2.90025873 Nb 4.62528982 4.62033173 1.72359429 -3.92154777 -3.87070733 -0.71305729 Zr 0.16388897 -0.20698176 2.73241985 0.39028469 1.44590776 -1.88801761 Nb 1.57255377 1.63722522 4.51258782 -2.59906475 0.02862059 -0.55130689 Nb 3.16911338 0.03666968 2.87660453 -1.57603313 -2.82522208 1.71681646 Zr 4.21656456 1.45297513 4.52553350 0.98579299 1.23897792 1.07198255 Nb -0.13105901 3.04737131 3.03238783 3.14314814 -3.23088705 1.13132181 Zr 1.93509731 4.33661680 4.58221297 -2.35072885 1.43055350 1.90239422 Zr 2.75818085 3.09119645 2.79640878 3.83907619 -2.33107476 2.60320560 Zr 4.49809408 4.47986591 4.35263676 1.68439473 0.07688098 -1.02689832