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=39787.379965829154 stress="-198872.22243345084 74677.63716107699 -12839.340411047073 74677.63716107699 -187544.88726102936 -26188.2469511058 -12839.340411047073 -26188.2469511058 -95415.97905299746" pbc="F F F" Er -0.25718992 0.36818362 0.18724935 -64682.84344516 -58503.21998330 -38636.39190953 Er 1.28884272 1.06743063 -0.27009791 45904.96751631 22074.69741897 -25401.51931960 Er 1.32140618 0.24182272 1.55872617 107903.95842906 -114425.05433628 19611.29285254 Er 0.21893472 1.41323917 1.46806325 -89126.08250022 150853.57690061 44426.61837659