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=16.13267107743333 stress="-1.9117765234096742 0.2165240664850653 -0.011801963383712599 0.2165240664850653 -3.3327567985670496 -0.9739335705196868 -0.011801963383712599 -0.9739335705196868 -2.197284074018926" pbc="F T F" Ni 0.03851086 0.14982991 0.28095696 -22.25239702 -5.88053699 -25.90752900 Ni 1.32464588 1.76008946 0.28460712 20.74721939 -19.95749121 -32.18755597 Ni 1.25346517 -0.23227551 1.27715687 21.87097254 15.63980635 32.65125687 Ni 0.11893942 1.22956938 1.33885520 -20.36579491 10.19822185 25.44382810