32 Lattice="63.623344039917 0.0 0.0 0.0 63.623344039917 0.0 0.0 0.0 63.623344039917" Properties=species:S:1:pos:R:3:forces:R:3 energy=-158.80350416521543 stress="8.936699775340282e-05 1.4526172133309415e-05 6.164951453971298e-06 1.4526172133309415e-05 0.0001141191902102281 -1.1815956718321274e-05 6.164951453971298e-06 -1.1815956718321274e-05 0.00010562147124820364" pbc="F F F" Zr 31.72904840 31.80995158 32.04656568 0.56443155 0.62167625 0.42828772 Zr 34.09227757 34.07104547 31.89642302 -0.28761116 -0.18141494 -0.92439937 Zr 33.98221235 31.57754190 34.08462265 0.47411795 0.72285480 0.34280582 Zr 32.01687283 34.20312099 33.96309175 -0.97467577 -0.86514846 0.56791944 Zr 36.44822042 32.11723477 31.69094578 -0.34739720 -0.42847690 0.21911887 Zr 38.67246483 34.01171667 31.68380111 -0.76324892 0.75450078 0.98973435 Zr 38.52213584 31.66359572 34.00934397 -0.89039415 1.22910111 0.37182670 Zr 36.12525010 34.03275158 33.87731281 1.29150863 -0.25166802 1.40094190 Zr 31.94074521 36.21080815 31.56371990 0.51809850 0.33152531 0.90789648 Zr 34.22085999 38.47367329 31.80203923 -0.70523533 0.10614497 0.64337169 Zr 34.01547859 36.27262971 34.22672256 0.81611913 1.42049295 -1.89659763 Zr 31.77915263 38.44695311 34.26571675 0.35455975 0.21525757 -1.18851371 Zr 36.16216384 36.51794856 31.65642359 0.99423142 -1.04825957 0.43363782 Zr 38.53013552 38.57263049 31.57835937 -0.71878454 -0.88893856 0.69473082 Zr 38.32647633 36.28670958 34.19728267 0.31957045 0.44798780 -0.71684629 Zr 36.54441794 38.87338550 33.85572205 -0.31103303 -0.65123625 0.83937771 Zr 31.82919823 31.62634998 36.50803163 0.39585925 0.85859474 -0.92496880 Zr 33.99529131 34.28038312 36.35399072 0.12013172 -1.89861527 0.67814057 Zr 33.89675222 31.56414145 38.50251972 0.46409322 0.96380635 -0.31830439 Zr 31.74753544 33.90880902 38.61792080 0.73226785 0.45254009 -0.73255120 Zr 36.29202284 31.73415840 36.50708918 0.26824793 0.74131220 -0.20074833 Zr 38.48533656 34.19312163 36.43949034 -0.55761340 -0.67883789 0.08026416 Zr 38.84613184 31.82161995 38.83868178 -1.41570939 1.29172028 -1.28090641 Zr 36.09109562 34.12057181 38.68876007 0.99482010 -0.32333860 -0.38919719 Zr 31.98149983 36.55498489 36.16388143 -1.25577141 -1.83967323 1.09865512 Zr 33.90251510 38.64538418 36.51240779 1.77397719 0.56943581 -0.66211328 Zr 33.98024417 36.25595307 38.85938828 0.32602485 0.36146285 -0.63691996 Zr 31.92922582 38.42190119 38.27815229 -0.47153007 0.11434093 0.73926283 Zr 36.12139952 36.46966394 36.15977376 1.09249580 0.36570604 1.57938023 Zr 38.73652736 38.81162995 36.60601038 -0.87948010 -1.18145843 -0.79428005 Zr 38.78299059 36.49341574 38.68952502 -1.25282837 -0.39228461 -1.01716852 Zr 36.52277762 38.73646888 38.52367437 -0.66924244 -0.93911012 -0.33183710