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=44.39541795533747 stress="-134.7992449953761 30.69920687615093 4.21057657171319 30.69920687615093 -114.93419321797137 5.331539965437486 4.21057657171319 5.331539965437486 -110.49378773939944" pbc="F F F" Zr 0.23171545 0.18190327 -0.17816502 -30.15438804 -27.66051556 -37.30512881 Zr 1.71219253 1.42485375 0.12990665 39.14822948 37.71382432 -31.67115224 Zr 1.28220450 0.28278197 1.56210000 66.13320907 -76.19849572 43.04766008 Zr 0.13362859 1.32702941 1.57034430 -75.12705051 66.14518696 25.92862098