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=2315.9354919632697 stress="-365.07912488983453 188.93190621216368 -62.335939226307445 188.93190621216368 -385.98931906541907 -62.274144516600686 -62.335939226307445 -62.274144516600686 -284.9738628523599" free_energy=2315.9354919632697 pbc="T F F"
Kr       0.15839933       0.09073906       0.27219963   -1190.48396847   -3515.95870064   -4536.97304681
Kr       1.43381326       1.63132919       0.25978669    1092.35688106     932.26893724   -1342.31218352
Kr       1.22592512       0.18365717       1.70288723    6205.99674599   -5279.48267973    2999.34295524
Kr       0.08343331       1.29585403       1.44809454   -6107.86965858    7863.17244314    2879.94227510