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=1495.1091392077744 stress="-238.60900606612915 49.85203394770992 -62.55460752074554 49.85203394770992 -225.1936048125475 -29.829542260187367 -62.55460752074554 -29.829542260187367 -208.6227275218184" free_energy=1495.1091392077744 pbc="T T F"
Kr       0.18584377       0.18362810       0.19581920   -1993.71328859    -594.45599466   -3055.24379578
Kr       1.56537167       1.72748741       0.17626233     725.04435182     -72.87804837   -1315.54216318
Kr       1.35402479       0.20996341       1.49207130    2977.03716578   -1111.58202921    2664.88097656
Kr       0.15300231       1.53848316       1.45774659   -1708.36822901    1778.91607225    1705.90498240