864 Lattice="20.964335053316322 0.0 0.0 0.0 20.964335053316322 0.0 0.0 0.0 20.964335053316322" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3516.4743915502263 stress="-0.009377051471795269 -0.0005317371986672194 6.162478046522754e-05 -0.0005317371986672194 -0.00913137666601966 8.261352276659592e-05 6.162478046522754e-05 8.261352276659592e-05 -0.009439823958773347" pbc="F F F" Ni 0.01435129 0.00890674 0.03068084 0.32600719 0.37492588 0.31034081 Ni 1.76545186 1.73807146 0.04005678 0.03827010 0.35021080 -0.27532265 Ni 1.72610036 0.00473884 1.77679407 0.53767878 -0.06688095 -0.10083857 Ni 0.00907196 1.78347232 1.72316174 -0.18866174 -0.25011620 0.44127221 Ni 3.48138955 0.02169268 0.03292566 -0.18663033 0.01373071 -0.05753482 Ni 5.26993498 1.74786973 0.02254437 -0.48640319 0.08585719 -0.48689125 Ni 5.20873112 0.02353811 1.72179429 0.26472837 -0.14684805 0.67024192 Ni 3.47202356 1.78850829 1.75171910 0.21168075 -0.43626126 0.15572664 Ni 6.98266188 0.00928460 0.02069953 0.25939420 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