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=-7.3066316075057385 stress="-5.011878069782307 1.000740351551457 2.333988693791718 1.000740351551457 -3.5751782630701845 0.547012945049461 2.333988693791718 0.547012945049461 -4.813369075655384" pbc="F F F" Ni 0.05442580 -0.14568130 -0.21988289 -0.75026354 -0.57514906 -0.30319432 Al 1.63572127 1.55791531 -0.26612504 2.16375616 0.80891027 -2.50247965 Ni 1.58501927 0.06603388 1.50693356 1.23004134 -1.58733217 0.92456697 Al 0.16501753 1.72580078 1.42866320 -2.64353396 1.35357096 1.88110700