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=1495.0551222932538 stress="-238.60699291731902 49.8520335669607 -62.55460688642634 49.8520335669607 -225.19160922414125 -29.829538037964152 -62.55460688642634 -29.829538037964152 -208.62270284278696" free_energy=1495.0551222932538 pbc="T T F"
Kr       0.18584377       0.18362810       0.19581920   -1993.71327339    -594.45597560   -3055.24353021
Kr       1.56537167       1.72748741       0.17626233     725.04434691     -72.87797662   -1315.54191213
Kr       1.35402479       0.20996341       1.49207130    2977.03704251   -1111.58197091    2664.88070024
Kr       0.15300231       1.53848316       1.45774659   -1708.36811603    1778.91592313    1705.90474209