4 Lattice="3.25 0.0 0.0 0.0 3.25 0.0 0.0 0.0 3.25" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=36.99492006865205 pbc="T F T" Zr 0.26959405 0.17626233 -0.14597521 40 -9.76192363 -35.45442716 -17.05436677 Zr 1.83496341 1.61707130 0.15300231 40 -15.31611788 40.97997782 -29.89774749 Zr 1.66348316 -0.04225341 1.32443383 40 7.80532737 -40.42285554 18.29818774 Zr -0.04210664 1.51325682 1.39541603 40 17.27271414 34.89730488 28.65392652