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=46.11618940571037 stress="-3.8509759131751173 -0.1223445734012868 -0.33246946900883867 -0.1223445734012868 -6.047941329777351 -0.810423065165849 -0.33246946900883867 -0.810423065165849 -4.409264870196018" pbc="F T F" Zr 0.07034430 0.04852473 0.05473499 -47.15913845 7.61492403 -44.70621908 Zr 1.41561068 1.63661615 0.11041876 32.44843883 -30.95734220 -50.45659432 Zr 1.26735611 -0.16466555 1.24148635 50.87242256 37.74086796 63.79173331 Zr 0.08611608 1.53369179 1.52598936 -36.16172294 -14.39844979 31.37108010