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=306.9552376934846 stress="-55.60830019654294 0.8890122695854814 -0.5083979730784887 0.8890122695854814 -55.89807627150909 -0.515454337143511 -0.5083979730784887 -0.515454337143511 -56.21808737750976" free_energy=306.9552376934846 pbc="T T T"
Zr       0.24624097       0.14302402      -0.14501107     -17.44991348     -10.94916907     -21.03316124
Zr       1.61042859       1.70947124      -0.14487149      -4.99944947     -23.50976437     -25.81504857
Zr       1.55280714      -0.08666117       1.06941911       3.11313423      13.38245904      45.85442880
Zr      -0.12758765       1.32230844       1.41049160      19.33622872      21.07647440       0.99378100