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=2276.313082361449 stress="-333.1586070821647 -58.50790491888732 8.620050602281784 -58.50790491888732 -328.61090434082104 -44.8860788428142 8.620050602281784 -44.8860788428142 -358.79481730183045" free_energy=2276.313082361449 pbc="T F T"
Kr      -0.11174318       0.19178619       0.17895518    2542.08125827   -3247.24280314   -2825.05771694
Kr       1.79140871       1.61455359       0.09583508   -2764.16245975    2306.09755552   -1332.82919668
Kr       1.64904689       0.10609294       1.46603997   -4328.78817146   -3725.39767263    1307.55269951
Kr      -0.19401975       1.32157598       1.51361598    4550.86937293    4666.54292026    2850.33421412