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=-1.2523235024 stress="-5.057744555933681 -0.40598942339828425 -0.667200996286646 -0.40598942339828425 -3.817628915381106 0.8733027031645876 -0.667200996286646 0.8733027031645876 -4.021374998627154" pbc="F F F" Ni 0.26235339 -0.15161904 0.21005355 -9.21681427 -3.81703066 -7.14189568 Ti 1.71211731 1.44968690 0.29594673 6.45190385 8.04952981 -8.01896902 Ni 1.65710459 -0.00957146 1.35687199 7.88973071 -6.62169647 11.20878408 Ti -0.02335587 1.74122900 1.52201293 -5.12482029 2.38919732 3.95208061