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=-13.3883256183 stress="-5.195170596124234 -0.22627162417418534 -2.4331773820337133 -0.22627162417418534 -3.9419763394442646 -0.333300319261051 -2.4331773820337133 -0.333300319261051 -4.562544193403328" pbc="F F F" Zr 0.10648835 -0.18350400 0.21224302 -13.33689777 -8.30378165 -10.57317436 Nb 1.23219888 1.46377771 -0.26973787 2.64952221 5.57730044 -4.57566103 Zr 1.66155754 -0.01680323 1.46371181 14.40586940 -4.01402443 10.30125247 Nb 0.26139998 1.34546349 1.59243610 -3.71849384 6.74050565 4.84758293