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=44.63142954956761 pbc="F F T" Zr 0.02031036 0.18745344 0.23996280 40 -60.71996394 -34.07853354 -39.74851952 Zr 1.37970777 1.77711528 -0.12128882 40 40.28277238 28.56895321 9.30598057 Zr 1.25213077 -0.26874888 1.21824351 40 60.67854592 -41.62658857 26.79878222 Zr 0.13616082 1.26429260 1.62968218 40 -40.24135436 47.13616890 3.64375673