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=102995.01064337205 stress="-12899.202996181457 7642.199680463456 209.41594838013947 7642.199680463456 -17573.492297600398 -3967.030136683136 209.41594838013947 -3967.030136683136 -16186.620191216" pbc="F T T" Zr 0.16549511 -0.18009620 -0.06574209 -214254.89740558 236954.97913936 126495.82975591 Zr 1.27809452 1.64532470 0.04955743 213730.44901287 -118885.10109810 97877.41368830 Zr 1.40946323 0.40172428 1.79565008 95002.88103052 -55439.13557930 -82813.86742652 Zr 0.24697874 1.78416314 1.61900596 -94478.43263782 -62630.74246197 -141559.37601769