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=2276.322864082352 stress="-333.158972296911 -58.507904887629714 8.620053378955735 -58.507904887629714 -328.6109065624572 -44.886078650207615 8.620053378955735 -44.886078650207615 -358.795182405905" free_energy=2276.322864082352 pbc="T F T"
Kr      -0.11174318       0.19178619       0.17895518    2542.08125734   -3247.24282410   -2825.05771375
Kr       1.79140871       1.61455359       0.09583508   -2764.16246416    2306.09758272   -1332.82920249
Kr       1.64904689       0.10609294       1.46603997   -4328.78817096   -3725.39769595    1307.55269941
Kr      -0.19401975       1.32157598       1.51361598    4550.86937778    4666.54293733    2850.33421682