500 Lattice="17.445916035104222 0.0 0.0 0.0 17.445916035104222 0.0 0.0 0.0 17.445916035104222" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1996.6517503565942 stress="-0.010730562457954864 0.00018385936817157995 -0.0007267279330532778 0.00018385936817157995 -0.010722452633126487 0.00029288415040826227 -0.0007267279330532778 0.00029288415040826227 -0.010424399817862652" pbc="F F F" Ni 0.00616479 0.02218542 0.01698499 0.45889653 0.32610261 0.44327500 Ni 1.74626192 1.75789767 0.02991676 0.03158305 -0.01310127 -0.23727440 Ni 1.76699322 0.02740511 1.77817910 0.09504210 -0.22949167 -0.24742385 Ni 0.01802373 1.73275234 1.76702286 -0.19167447 0.61338868 -0.05321862 Ni 3.48956867 0.03736437 0.03943113 -0.20209076 -0.16585247 -0.14750133 Ni 5.22650650 1.74496689 0.02604671 0.36239191 0.22745847 -0.29973096 Ni 5.22400855 0.02494201 1.75681554 0.03500146 -0.44777097 -0.09632715 Ni 3.50196818 1.77853378 1.72630598 -0.46924715 -0.28904839 0.68391965 Ni 6.96015867 0.00225894 0.03797354 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