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:Z:I:1:forces:R:3 energy=236.30052262653223 pbc="F F F" Ni 0.10881314 0.17780737 0.05237158 28 -20.59541381 -19.83965109 -28.28018710 Zr 1.68035870 1.19432578 -0.21988289 40 5.46835407 13.40350108 -52.17794440 Zr 1.53473318 0.05791531 1.15200141 40 -0.39463000 -57.52036848 20.43729673 Ni 0.08501927 1.26725402 1.50693356 28 -53.98805150 10.91295320 -34.02345395 Ni 3.39714620 0.22580078 -0.07133680 28 -34.47738895 -39.91512044 -22.76709602 Ni 4.68883157 1.25250580 0.04313966 28 46.36302409 37.04298868 -20.09408205 Zr 4.44832183 0.25980354 1.46667242 40 67.72924932 -69.95000188 -4.93712424 Zr 3.27143892 1.40295338 1.60338854 40 -25.30988867 12.95810825 -47.91740166 Zr 0.24759167 2.87086020 -0.07481803 40 -22.54818052 5.09825417 -17.59702509 Ni 1.24663523 4.48702489 0.12729360 28 3.65929431 11.81038657 -9.04951440 Zr 1.68843096 3.17061300 1.79169807 40 -55.92956863 -56.62124863 -79.23716682 Ni -0.03136998 4.44630638 1.72955855 28 -19.66509767 17.15741830 -15.16932787 Ni 3.11833981 2.70079010 -0.17070544 28 -19.30928948 -26.47230183 -17.50518703 Ni 4.07101015 4.09549705 -0.10776806 28 24.86361168 36.13282029 -4.15165105 Ni 4.78095696 2.82464588 1.76008946 28 34.89485099 9.57933015 -24.01639259 Zr 2.87675974 4.32230465 1.78460712 40 62.81286006 83.90431969 -50.29888669 Ni -0.00314206 -0.08133626 2.92519602 28 -17.68206324 -29.85252344 7.33289680 Ni 1.00431345 1.43198894 2.82743118 28 21.48686371 -1.50063703 55.61119693 Ni 1.44073217 -0.25253340 4.69691689 28 -0.63662206 -4.34066410 3.86269219 Ni -0.00443548 1.51803642 4.59884618 28 -7.35971820 -2.04463048 8.83286498 Zr 3.23010044 0.09566688 3.12528982 40 -21.98646511 -58.96761647 20.23543084 Zr 4.62033173 1.67828948 3.37375498 40 84.73776309 -81.08167307 -21.02111196 Ni 4.28811060 -0.23658682 4.57255377 28 10.80208054 -9.88418131 13.20161349 Ni 3.20175032 1.51258782 4.66911338 28 -14.73689837 -23.18274750 38.79670741 Zr -0.19545900 3.12365747 3.02755454 40 -52.70514589 -25.35238170 3.27148402 Zr 1.45297513 4.34681875 2.86894099 40 -28.25667900 92.61961082 52.82107187 Zr 1.54737131 3.03238783 4.74404962 40 -29.59718026 -10.79538563 44.03771478 Zr -0.13189310 4.62937675 4.25818085 40 -21.59303947 30.15527790 30.15354945 Ni 3.09119645 2.72229640 2.92679513 28 0.56748212 4.62417330 19.31152479 Zr 4.77913633 4.35263676 3.18492541 40 44.27498450 51.67291478 -14.58613363 Zr 4.33178173 2.88323780 4.26192411 40 48.04119042 40.37647095 101.62731533 Zr 3.13870608 4.26260376 4.62263099 40 -8.93028806 59.87260496 43.29632693