32 Lattice="8.586787583770269 0.0 0.0 0.0 8.586787583770269 0.0 0.0 0.0 8.586787583770269" Properties=species:S:1:pos:R:3:forces:R:3 energy=-158.80111229232085 stress="-2.536935215461553 -0.6664397449387811 -0.1545490555947353 -0.6664397449387811 -2.030037454551274 -0.41541045348978844 -0.1545490555947353 -0.41541045348978844 -2.256666857961629" pbc="F F F" Zr -0.00116774 -0.02004251 0.02998984 0.86257912 0.84389392 0.73917062 Zr 2.17661021 2.14906687 -0.01885279 -0.43348917 -0.25485757 -0.95555190 Zr 2.15385650 0.04165833 2.15784590 -0.35763163 -1.22929484 -0.33984489 Zr -0.02698925 2.09567402 2.15830546 -0.98705594 0.27247979 -0.43341418 Zr 4.27740082 -0.00013271 -0.01386410 0.18498683 0.20911348 0.38238387 Zr 6.44571922 2.12426519 0.02473993 -0.34080647 -0.04602621 0.22739163 Zr 6.48291706 -0.03583303 2.16676837 -0.50233847 0.45413458 -0.06291490 Zr 4.28752531 2.13781439 2.15608073 0.36117017 -0.25977552 -0.22572174 Zr 0.02826038 4.26023838 -0.02888993 0.28196508 0.10901038 0.45748285 Zr 2.16296123 6.44752976 0.02477215 -0.28396316 -0.17755101 0.12280688 Zr 2.12961805 4.26942258 2.17118167 -0.37805415 0.47375828 -0.30491601 Zr -0.01173300 6.48243350 2.12448306 0.41319126 -0.57695110 0.06329881 Zr 4.27206978 4.32632682 0.03253831 0.22265727 -0.15860245 -1.27059616 Zr 6.40311710 6.41031490 -0.02242248 -0.59397344 -0.65049428 0.67538685 Zr 6.40085267 4.27430668 2.13108190 1.30177130 0.27155973 -0.13511285 Zr 4.30318865 6.48142175 2.09087364 -0.00735888 1.01793742 0.13357577 Zr -0.00212290 0.06219302 4.32543046 0.04057959 -0.30957270 -0.10678279 Zr 2.10477036 2.18196826 4.31446538 0.44486903 -0.25374312 0.07800686 Zr 2.16104209 0.02488171 6.43650541 0.14263957 0.18432794 -0.13916786 Zr 0.01049147 2.14431671 6.40132785 -0.22053306 -0.02811428 0.36933131 Zr 4.26743779 -0.00198757 4.25853384 0.41981306 -0.94836266 0.47805014 Zr 6.44316971 2.13972818 4.31379231 1.10404810 -0.29416532 -0.09388429 Zr 6.42827737 0.03932415 6.45377325 -0.80097333 0.69653692 -0.81662222 Zr 4.33485193 2.18549809 6.42106583 -0.29791999 -0.42143537 1.04052370 Zr -0.00471580 4.31111656 4.34523357 -1.18682100 0.38187493 -0.41107692 Zr 2.15072701 6.47187121 4.27934279 -0.14783134 0.82159472 0.09094177 Zr 2.08562892 4.28716851 6.47563096 0.42255389 0.43501094 0.93137451 Zr 0.02279527 6.45176381 6.40153477 0.64647266 -0.56784377 -0.61612166 Zr 4.31217234 4.31580241 4.27549030 -0.27136802 0.10828208 0.26894821 Zr 6.37222923 6.46264257 4.25098031 0.10426002 -0.13433710 0.07655824 Zr 6.40852903 4.27394608 6.44957050 0.06660860 0.26647284 -0.18059485 Zr 4.31100094 6.44441768 6.40309379 -0.21004750 -0.23486063 -0.04290879