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=23.2506617615264 stress="-7.64308420544139 -0.8242811921703307 -0.8350354369927354 -0.8242811921703307 -7.571562683540413 0.5295529664004344 -0.8350354369927354 0.5295529664004344 -3.99911293451662" pbc="T T F" Ni -0.11020503 0.00239915 0.04278917 28.57658704 27.57493330 -28.30898485 Ni 1.73520322 1.74421963 0.09176916 -57.97012265 -20.69531116 -49.11800360 Zr 1.56487656 0.14248225 1.79553441 -15.05970563 -8.96509534 34.34491641 Zr -0.15874699 1.50601457 1.20763472 44.45324124 2.08547321 43.08207204