32 Lattice="8.599036959270975 0.0 0.0 0.0 8.599036959270975 0.0 0.0 0.0 8.599036959270975" Properties=species:S:1:pos:R:3:forces:R:3 energy=-166.21601659719227 stress="-2.2315126015172897 0.07624304828759049 0.037416505647492215 0.07624304828759049 -2.4516452944710734 0.06370688181927742 0.037416505647492215 0.06370688181927742 -1.7715938369160968" pbc="F F F" Zr -0.00401207 0.03900021 0.01313563 0.52285843 0.44257299 0.47656413 Zr 2.18740037 2.13529621 0.01422587 -0.46459125 -0.18050721 -0.84225188 Zr 2.17632561 0.03987813 2.15953185 -0.27856274 -0.78175438 -0.31777471 Zr -0.03340788 2.18119860 2.10151956 -0.53884981 -0.20416939 0.04581913 Zr 4.33892100 0.00222382 -0.02686716 -0.08884792 0.08118343 0.15522620 Zr 6.46751090 2.14418053 -0.02364050 -0.12094596 0.20105607 0.17467644 Zr 6.48525299 0.03927522 2.11323359 -0.18670711 0.13221695 0.16684353 Zr 4.29781378 2.16171466 2.10995798 0.66181002 -0.43745228 0.07003862 Zr -0.03014655 4.31105384 -0.01346986 0.31154418 -0.03805884 0.13619772 Zr 2.18784974 6.43842280 -0.02113481 -0.09135452 -0.18096906 0.17664208 Zr 2.18392485 4.25829125 2.13642520 -0.65332069 0.51781526 -0.17246270 Zr 0.02999700 6.41590274 2.15560161 0.12619963 -0.12784704 -0.02021654 Zr 4.27655474 4.26938595 0.00720941 0.45877071 0.35404651 -0.76560600 Zr 6.42881981 6.44539602 -0.00098764 -0.57269483 -0.55891306 0.55627915 Zr 6.44382953 4.33728351 2.18349287 0.66923798 0.01343425 -0.39650152 Zr 4.26904518 6.42644324 2.16979769 0.27240963 0.77970052 -0.32822385 Zr -0.02796219 -0.03719666 4.22673828 0.15723925 0.28624019 0.03301015 Zr 2.12120866 2.12314673 4.29638567 -0.16943012 -0.10277631 0.14176920 Zr 2.12670597 0.02181237 6.40463944 0.08755312 -0.20149036 -0.03141778 Zr 0.06223556 2.12258169 6.48222218 -0.13558235 0.09027723 -0.20091281 Zr 4.30431068 0.00904255 4.28351757 0.30850372 -0.61529197 0.04797146 Zr 6.47656587 2.16267126 4.30324174 0.46933787 -0.17638667 0.11861453 Zr 6.43550857 0.00256425 6.45587565 -0.40819753 0.43562917 -0.52931025 Zr 4.31085654 2.08376822 6.41918486 0.13918565 0.14244251 0.61940266 Zr 0.02206957 4.28917699 4.31850640 -0.62313538 0.15500825 0.14903674 Zr 2.13937933 6.44756734 4.29788544 -0.24943239 0.56146674 0.24480315 Zr 2.16903664 4.26478333 6.42753301 -0.21683065 0.31422110 0.66391148 Zr -0.03724144 6.47146702 6.45685386 0.65799101 -0.64944816 -0.58783264 Zr 4.33206783 4.33214023 4.30326685 0.04077943 -0.26241738 0.21272924 Zr 6.42973392 6.45330522 4.32109710 0.08992541 0.03759614 -0.12512787 Zr 6.41092067 4.31713761 6.47759874 0.06448097 -0.26577630 -0.07349356 Zr 4.31025139 6.38569608 6.40275287 -0.23934376 0.23835109 0.20159651