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=79.44642746442251 pbc="F T T" Zr 0.29391194 -0.27385471 0.02103145 40 -108.38135914 77.01479352 -0.84842505 Zr 1.27761356 1.68220204 0.07469950 40 102.52558216 -82.58924076 -11.73250629 Zr 1.73573857 0.02724172 1.27538150 40 58.11072275 18.07573259 28.39281958 Zr -0.29703668 1.34887301 1.72083292 40 -52.25494578 -12.50128535 -15.81188824