500 Lattice="17.46584536549163 0.0 0.0 0.0 17.46584536549163 0.0 0.0 0.0 17.46584536549163" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2040.6246932887364 stress="-14.628800676948435 0.5382440717914037 -0.5826999051741879 0.5382440717914037 -13.18648519939675 -0.6125449594189618 -0.5826999051741879 -0.6125449594189618 -15.372431915769942" pbc="F F F" Ni 0.01807403 -0.03394773 -0.02757494 0.72638552 0.81698332 0.70734692 Ni 1.75353504 1.77128618 -0.00448265 -0.15628381 -0.39196894 -0.13225801 Ni 1.70412514 0.00771592 1.73236426 0.15241840 -0.20805552 -0.11680656 Ni 0.02034292 1.73399612 1.73082773 -0.40797836 -0.25869062 -0.22929208 Ni 3.50420403 -0.03298181 0.02752508 -0.15736203 0.46621438 0.31488251 Ni 5.21718494 1.76294747 0.02387177 0.17383117 -0.39349722 -0.36488005 Ni 5.26351650 0.00740359 1.71859899 -0.17127508 -0.17377724 0.40753187 Ni 3.48688000 1.72467425 1.76138206 -0.21139183 -0.12377748 -0.03690753 Ni 6.95199064 -0.02307715 0.01332260 0.27532792 0.40509257 0.15799355 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