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:Z:I:1:forces:R:3 energy=44.63224354106371 pbc="F F T" Zr 0.02031036 0.18745344 0.23996280 40 -60.72152692 -34.08038601 -39.74872330 Zr 1.37970777 1.77711528 -0.12128882 40 40.28420135 28.57008975 9.30603391 Zr 1.25213077 -0.26874888 1.21824351 40 60.68006857 -41.62797422 26.79887264 Zr 0.13616082 1.26429260 1.62968218 40 -40.24274300 47.13827048 3.64381675