2 Lattice="3.235323 0.0 0.0 -1.617662 2.801816 0.0 0.0 0.0 5.173023" Properties=species:S:1:pos:R:3:forces:R:3 energy=-14.805959115773943 stress="0.003178442111662475 0.00010951485701008406 -1.668743835012123e-08 0.00010951485701008406 0.0033185128580540766 9.267540242477175e-09 -1.668743835012123e-08 9.267540242477175e-09 0.0030039153382696764" pbc="T T T" Zr -0.00000000 1.86770000 1.29326000 0.00284946 -0.00132960 0.00025362 Zr 1.61766000 0.93411000 3.87977000 -0.00284946 0.00132960 -0.00025362