32 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=50.622213256468704 stress="-484.041677821849 -3.687524981191757 -25.821456679526293 -3.687524981191757 -490.53184875510533 -22.484391599017272 -25.821456679526293 -22.484391599017272 -485.5620570104875" pbc="F F F" Zr -0.08409629 -0.22047905 0.03279808 -4.02947870 -3.62879809 -7.19290070 Cu 1.75551247 1.59849586 -0.00811119 -5.23586776 -12.90166461 -8.73454906 Cu 1.43293386 -0.15379940 1.51821382 9.78640148 -7.82060124 -6.77598004 Zr -0.29424575 1.46963223 1.65586213 -20.25759483 -10.50191956 -31.19151220 Cu 3.03333221 -0.16773400 -0.17830755 -0.95110408 -3.28815513 -1.71643759 Zr 4.62036030 1.45631248 0.24843919 11.98984344 -2.17992309 -16.28001295 Zr 4.64432661 -0.23976508 1.74849743 21.42718614 -23.30368110 -18.77137696 Cu 3.25911890 1.48660203 1.69877714 -31.98160238 6.34507463 -22.02221656 Cu 0.10881314 3.13250256 0.10031152 -7.40620525 -2.74262740 -6.94521246 Cu 1.76898822 4.35431870 -0.21988289 -20.31785788 29.03910504 -11.85648902 Zr 1.91485760 3.05791531 1.23387496 -19.18348499 -7.01651735 25.92996610 Cu 0.08501927 4.56603388 1.50693356 -17.19495545 7.36211167 -15.19592914 Zr 3.01765428 3.22580078 -0.07133680 29.55296326 -15.96502627 -30.36346074 Cu 4.68883157 4.49955875 0.04313966 8.17634810 12.44384743 -12.08336422 Zr 4.44832183 3.25980354 1.46667242 31.08967679 -22.03203461 5.48777827 Zr 3.27143892 4.40295338 1.78831395 -19.70740624 37.39340957 -6.32993566 Cu 0.24759167 0.11018303 2.92518197 -18.30754546 -33.53904857 11.38561651 Zr 1.24663523 1.48702489 2.78036059 36.34549374 17.77650863 3.37273336 Cu 1.68843096 0.17061300 4.67493587 -9.38974473 -18.78066695 3.60309398 Zr -0.03136998 1.44630638 4.53851086 -22.95261026 -8.80101183 13.74723244 Cu 3.14982991 -0.25204613 2.82929456 -25.18262455 -17.97326902 11.18619648 Zr 4.28747849 1.15669158 2.87993804 34.44821216 18.67332379 34.14674805 Zr 4.74586666 -0.05272313 4.71214953 4.05201766 -5.71239574 6.55778940 Cu 2.87675974 1.32230465 4.62461421 5.67285682 6.71730725 2.76768983 Cu -0.24653483 2.76772449 2.77715687 -10.59566970 23.46380080 12.21029174 Zr 1.24014891 4.43198894 2.82743118 15.53500010 8.56627955 14.45982625 Cu 1.29546282 2.70940621 4.61893942 15.49612700 10.91053595 5.88054368 Cu -0.03830194 4.09180225 4.29994537 -10.47451411 5.77755575 9.76757631 Cu 3.23010044 3.27438163 3.31633751 -21.10397534 -17.87610146 -16.37506295 Zr 4.62033173 4.67828948 3.18033881 23.96739386 16.76535642 7.00154698 Zr 4.29301824 2.68525608 4.57255377 26.39975374 -4.83880343 23.32782395 Zr 3.01129231 4.51258782 4.66911338 -9.66703257 17.66802896 21.00198690