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=-8.161639641951417 stress="-23.261696121870656 -1.151912776443886 -13.632086435994992 -1.151912776443886 -16.345663537883816 3.8138660613777358 -13.632086435994992 3.8138660613777358 -29.351546096077925" pbc="F F F" Zr -0.23227551 -0.22284313 -0.25985109 -12.14072228 -4.35097968 -11.26809682 Ni 1.22500719 1.32743118 -0.20453718 2.42534016 7.79953540 -8.47005152 Zr 1.20940621 0.11893942 1.22956938 13.88947055 -7.27365628 17.92808684 Ni -0.16114480 1.53926819 1.46252029 -4.17408843 3.82510056 1.81006151