864 Lattice="20.991181747492845 0.0 0.0 0.0 20.991181747492845 0.0 0.0 0.0 20.991181747492845" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3520.207870531052 stress="-0.005316664529468129 -0.00015878209944515111 -0.00011387069647458087 -0.00015878209944515111 -0.005300947312651048 0.00028703932821086105 -0.00011387069647458087 0.00028703932821086105 -0.00536230999517733" pbc="F F F" Ni 0.01731541 0.02826347 0.02522234 0.70677597 0.69300961 0.78141090 Ni 1.71606085 1.73653781 0.02505300 0.15540285 0.06843631 -0.42209417 Ni 1.76965407 0.01981864 1.75699902 -0.25724453 -0.60670293 -0.24020443 Ni 0.03349041 1.76314531 1.75448538 -0.54599769 -0.17314509 -0.17182465 Ni 3.47328374 0.03074626 0.01845633 0.05068901 0.34201000 0.21559421 Ni 5.25465887 1.77633342 0.03271170 0.06559596 -0.21821535 -0.40554303 Ni 5.21500584 0.02216409 1.73716608 0.17275408 -0.24741921 0.17045757 Ni 3.48040795 1.73433216 1.75902718 0.26919172 0.33960973 0.09625585 Ni 6.95578871 0.01598506 0.01978629 0.15213020 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