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=72.90143733738948 stress="-6.302969009624774 -0.6243764395840458 -0.22796918945872038 -0.6243764395840458 -9.798961873842089 0.5778843806892181 -0.22796918945872038 0.5778843806892181 -6.1231331012866" pbc="F T F" Zr 0.05473499 -0.12063495 0.13661615 -77.96676678 3.78053307 -71.88406298 Zr 1.40480033 1.28303047 0.11041876 56.25955854 5.70275994 -60.46643607 Zr 1.26735611 -0.16466555 1.24148635 79.19210766 8.00570690 70.80314161 Zr 0.08611608 1.53369179 1.52598936 -57.48489942 -17.48899991 61.54735744