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=15.058203785255877 stress="-80.6506392334643 1.1593753932825965 -1.5848649116336588 1.1593753932825965 -80.24865999812555 6.709911767137548 -1.5848649116336588 6.709911767137548 -79.52581644424372" pbc="F F F" Zr -0.06141927 -0.24794580 0.15488783 -25.38611413 -24.34960949 -26.51591346 Zr 1.55988540 1.20245745 0.16431082 25.86326961 27.88101766 -32.41351294 Zr 1.31425730 -0.01155935 1.53277713 27.35866324 -32.87309945 39.89084661 Zr -0.10028026 1.37366136 1.46097674 -27.83581872 29.34169127 19.03857979