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=0.3715309723052851 stress="-35.844925362033216 -3.1383763982293247 -1.356303985060979 -3.1383763982293247 -26.275015139658507 0.7694654053566268 -1.356303985060979 0.7694654053566268 -36.752272636055224" pbc="F F F"
Zr       0.27219963      -0.06618674       0.13132919     -13.68286587     -13.14996436     -10.41126644 
Zr       1.75978669       1.22592512      -0.21495266       9.65418013      11.70654679     -11.52495493 
Zr       1.68365717       0.20288723       1.58343331      12.39670501      -7.19808401      15.33523264 
Zr      -0.20414597       1.44809454       1.72094491      -8.36801926       8.64150159       6.60098872