4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4.04900695073 stress="-4.239494736445844 -0.34646058371323296 0.2003712854701455 -0.34646058371323296 -4.2556784537546175 0.5370349953103152 0.2003712854701455 0.5370349953103152 -3.4574299600884406" pbc="F F F" V 0.13572127 0.05791531 -0.26612504 -5.54730027 -5.52246014 -3.17059376 Ti 1.58501927 1.56603388 0.00693356 6.66908218 8.50569284 -6.04300545 Ni 1.66501753 0.22580078 1.42866320 5.49022441 -7.26297595 5.03441116 Ni 0.18883157 1.49955875 1.54313966 -6.61200633 4.27974324 4.17918805