4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-7.832158938191419 stress="-21.418831886426787 8.259739537314397 -6.501279068023836 8.259739537314397 -30.760558040433423 -13.714464803572888 -6.501279068023836 -13.714464803572888 -28.307668735215202" pbc="F F F" Zr -0.03136998 -0.05369362 0.03851086 -9.74630657 -7.76600573 -14.95486829 Ni 1.64982991 1.24795387 -0.17070544 2.36089733 2.61073661 -2.30093616 Ni 1.28747849 -0.10523254 1.37993804 15.04491342 -14.16665083 4.94789223 Zr 0.28095696 1.32464588 1.76008946 -7.65950417 19.32191995 12.30791222