864 Lattice="21.026899337768555 0.0 0.0 0.0 21.026899337768555 0.0 0.0 0.0 21.026899337768555" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3598.080915829923 stress="-0.0063043807865575795 9.964373779530648e-05 0.00036145378478626795 9.964373779530648e-05 -0.006416595151874442 0.00032146833846387666 0.00036145378478626795 0.00032146833846387666 -0.006198457244344493" pbc="F F F" Ni 0.00142391 0.00990272 0.00715541 0.40455522 0.37462028 0.36731707 Ni 1.76553207 1.73984012 0.01043787 0.08032976 0.43937007 -0.24594257 Ni 1.75413786 0.01988249 1.75059295 0.11676968 -0.38045377 0.20194876 Ni 0.01286248 1.74677943 1.74311942 -0.21418774 0.40643934 0.29071687 Ni 3.47163702 0.02112556 0.01563508 0.15590107 -0.00982407 0.09244748 Ni 5.25532305 1.71880823 0.02057449 -0.26230251 0.61056953 -0.32757972 Ni 5.26330249 0.00135131 1.73729001 -0.25295081 -0.21472953 0.33105407 Ni 3.47044370 1.78667098 1.77016934 0.40670299 -0.02273062 -0.12291310 Ni 6.99203347 0.02951139 0.01632705 0.09692761 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