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=2276.3671128678434 stress="-333.1606735064013 -58.507904285754734 8.620035164843241 -58.507904285754734 -328.6109325637691 -44.88608261125267 8.620035164843241 -44.88608261125267 -358.79685211390876" free_energy=2276.3671128678434 pbc="T F T"
Kr      -0.11174318       0.19178619       0.17895518    2542.08131131   -3247.24306258   -2825.05785864
Kr       1.79140871       1.61455359       0.09583508   -2764.16259677    2306.09790148   -1332.82916885
Kr       1.64904689       0.10609294       1.46603997   -4328.78823972   -3725.39797503    1307.55275422
Kr      -0.19401975       1.32157598       1.51361598    4550.86952518    4666.54313612    2850.33427328