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=34.93416464008514 stress="-116.41146453547145 -2.01778083756793 -21.054145176933538 -2.01778083756793 -95.04798179801026 -9.498393218377629 -21.054145176933538 -9.498393218377629 -109.65760360485467" pbc="F F F" Zr 0.18220204 -0.10637159 0.23573857 -57.28756691 -46.39795692 -50.74408731 Zr 1.52724172 1.27538150 -0.29703668 22.31454547 27.93030524 -33.65219175 Zr 1.34887301 0.22083292 1.28984966 68.46173289 -23.46732925 60.78660698 Zr -0.01264569 1.42299150 1.40698366 -33.48871145 41.93498092 23.60967208