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=242.73752262754294 stress="-1326.9755417107092 1.6423599256626176 -60.54671754829812 1.6423599256626176 -1357.7429516096397 -105.46327983739866 -60.54671754829812 -105.46327983739866 -1210.6267932049575" pbc="F F F" Ni 0.10881314 0.13250256 0.14561633 -32.59971438 -14.62648185 -27.56551592 Zr 1.50648586 1.48025160 -0.21988289 -2.95831230 9.38827104 -40.69318837 Zr 1.47572835 0.05791531 1.13288687 6.67783769 -49.25595393 27.42293542 Ni 0.08501927 1.48416033 1.50693356 -55.75218265 8.51907472 -42.18025981 Ni 2.86623767 0.22580078 -0.07133680 20.03051162 -16.99748366 -20.29670309 Ni 4.68883157 1.73168742 0.04313966 22.24780548 -8.52665033 -11.62020170 Zr 4.44832183 0.25980354 1.46667242 62.91452246 -59.62273231 -24.22384573 Zr 3.27143892 1.40295338 1.60338854 -28.11392601 19.06707060 -38.54775583 Zr 0.24759167 3.11018303 -0.07481803 -37.47147120 -5.87072026 -20.68963391 Ni 1.24663523 4.48702489 0.12729360 15.65198054 28.49402654 -7.91103017 Zr 1.68843096 3.17061300 1.79169807 -47.94908469 -62.25476750 -76.21762598 Ni -0.03136998 4.44630638 1.72955855 -24.11285556 17.60699763 -15.80326113 Ni 3.11833981 2.70079010 -0.17070544 -30.31457681 -16.55980597 -19.32129573 Ni 4.07101015 4.09549705 -0.10776806 24.87478644 36.45376490 -3.85551508 Ni 4.78095696 2.82464588 1.76008946 32.10697865 10.68159139 -22.32944594 Zr 2.87675974 4.32230465 1.78460712 64.10267326 80.90341902 -54.16449773 Ni -0.00314206 -0.08133626 2.92519602 -17.34472733 -26.45377650 3.42105285 Ni 1.00431345 1.43198894 2.82743118 24.70703789 -11.93155410 56.04349486 Ni 1.44073217 -0.25253340 4.69691689 -0.83868498 -4.77198306 3.83136232 Ni -0.00443548 1.51803642 4.59884618 -8.15525794 -3.70209551 9.92682764 Zr 3.23010044 0.09566688 3.12528982 -22.84122659 -55.65511491 15.30342738 Zr 4.62033173 1.67828948 3.37375498 80.55133484 -84.16806597 -22.33836070 Ni 4.29301824 -0.27248780 4.57255377 11.63759602 -8.68134786 14.64163054 Ni 3.04228565 1.51258782 4.66911338 -10.72825052 -24.84205046 36.94284044 Zr -0.19545900 3.12365747 3.14634539 -52.57367289 -26.82795514 -1.16170425 Zr 1.45297513 4.34681875 2.86894099 -34.34146774 93.75134490 41.42977357 Zr 1.54737131 3.03238783 4.74404962 -50.89116509 -35.59027184 51.03469020 Zr -0.13189310 4.62937675 4.25818085 -23.75774080 35.85740884 32.66234588 Ni 3.09119645 2.86807593 3.14045004 -8.45655827 -0.01033610 1.09259604 Zr 4.77913633 4.35263676 3.18492541 38.45183870 52.40504432 -8.26676942 Zr 4.33178173 2.88323780 4.26192411 57.74682296 47.52541108 118.74425341 Zr 2.67714241 4.26260376 4.62263099 27.49914920 75.69572229 44.68937997