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=-1.2257064529634958 stress="0.07996595522254867 -0.005123837292024303 -0.020854970878122263 -0.005123837292024303 0.0918447804888525 -0.013202987696869796 -0.020854970878122263 -0.013202987696869796 0.09863026390316829" pbc="F T T"
user01       0.01678961      -0.13077348       0.08214195       0.67877045      -0.42249743       0.28880719 
user01       1.45700434       1.79773067       0.28179900      -1.22573976       0.18301047       0.68013529 
user01       1.33020227       0.11945032       1.68428721      -0.53049463      -0.18657363      -0.13947919 
user01       0.29801111       1.63604259       1.24386867       1.07746394       0.42606059      -0.82946329