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=71.63814443250459 stress="-3.3757861957711706 0.005806791779576209 -0.019469536004752604 0.005806791779576209 -3.4080137902386354 -0.010000613251131876 -0.019469536004752604 -0.010000613251131876 -3.4301350181938934" pbc="T T T" Cs -0.14459490 0.11115480 0.11044915 1.24796234 -1.39742194 -0.20676867 Cs 1.70960170 1.31143450 -0.16166483 -1.78505999 1.50476970 0.30316651 Cs 1.28829595 0.03769167 1.64041416 -0.69581825 -1.05514715 -0.50248795 Cs -0.22187219 1.51878885 1.32834452 1.23291590 0.94779940 0.40609011