32 Lattice="61.45945774696702 0.0 0.0 0.0 61.45945774696702 0.0 0.0 0.0 61.45945774696702" Properties=species:S:1:pos:R:3:forces:R:3 energy=-143.95136246947064 stress="0.000588258712899976 2.117111238468977e-05 7.228406604413991e-05 2.117111238468977e-05 0.0004904618222891033 -1.1924164551625985e-05 7.228406604413991e-05 -1.1924164551625985e-05 0.0005771478470358597" free_energy=-143.95136246947064 pbc="F F F" Zr 30.84571656 30.69370936 30.85515089 5.51254340 4.77066632 2.75927190 Nb 32.92526458 32.68546643 30.52669822 0.95762456 -3.61271420 3.60009553 Nb 32.83287198 30.73172817 32.96036715 3.84257895 1.36417512 -2.02889094 Zr 30.82815653 33.12822586 32.89990185 0.55660595 -0.11049560 -1.64394497 Nb 35.05486843 30.74203820 30.97600755 -4.80174520 6.72585330 8.97976797 Zr 37.18238162 32.92972165 30.48609114 -2.67353146 -0.30911252 2.56380280 Nb 37.24916281 30.70691713 32.90810030 -2.82541768 1.08887134 -1.61296873 Zr 35.15358147 32.74136793 32.84710024 -0.34438615 -1.18850070 -0.47154764 Nb 30.71463671 34.86733244 30.69582679 8.81513783 -1.51483907 6.85576676 Zr 32.82337325 36.90086713 30.56893940 -2.50937825 -3.67496470 2.09181253 Nb 32.53664898 35.14307268 32.87184499 -2.19769448 -0.37698874 -4.49065296 Zr 30.84740012 36.90247576 33.15411048 -0.22573607 0.22942603 -1.36424305 Zr 35.11011990 35.15872145 30.76525614 0.21992136 -0.96435596 1.44435538 Nb 37.26719653 37.31781608 30.56281316 -0.87675509 0.01081886 0.64302731 Nb 37.49422958 34.90627525 32.81494886 -3.62710324 -1.82445585 0.05508217 Nb 35.25710046 37.12696423 32.80008021 2.54282116 -2.34501544 0.50010888 Zr 30.64340987 30.76970660 35.25256280 2.84212279 1.26443119 -1.14868069 Zr 32.95895771 32.81358632 35.33373428 0.83900655 -0.53167365 -1.57178835 Zr 32.68783137 30.83627002 37.25943957 1.86198450 0.86947321 -1.60773714 Zr 30.70953248 33.12193172 37.26572516 0.85498568 0.99979501 -1.06808959 Nb 34.80734888 30.48134226 35.13588100 -3.25762365 4.08498731 -3.32471420 Zr 37.55981312 33.20102604 35.13012853 -1.44866388 -0.49228333 -0.72728663 Zr 37.28039739 30.76049040 37.07031353 -2.89549860 2.61176863 -3.04126637 Zr 35.28233905 33.11285386 37.43948540 -0.76418787 -1.33420643 -1.54742913 Nb 30.80776581 35.34764100 35.14697317 3.07813202 0.84518620 3.68795221 Nb 32.98867611 37.22136594 35.36550583 -2.76366739 -3.34802289 3.46264120 Nb 32.75470785 34.96230072 37.09245396 -1.32392456 1.43113649 -2.98997053 Zr 30.69845974 37.55733124 37.15376435 2.74230421 -2.66835108 -3.40595527 Nb 35.25459836 35.07439845 34.91003335 1.09732383 1.43358518 -1.97322593 Nb 37.30812517 37.32130259 34.92535765 -1.58588329 -1.13798110 -0.42295106 Nb 37.37369862 34.89559695 37.35921222 -0.12216316 -1.27503722 -0.46241771 Zr 35.25900468 37.43963585 37.11043523 -1.51973280 -1.02117569 -1.73992374