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=2315.9343947724105 stress="-365.07907999368757 188.93190615375858 -62.33593908145404 188.93190615375858 -385.9893189170525 -62.27414454094388 -62.33593908145404 -62.27414454094388 -284.9738627087416" free_energy=2315.9343947724105 pbc="T F F"
Kr       0.15839933       0.09073906       0.27219963   -1190.48396645   -3515.95869913   -4536.97304539
Kr       1.43381326       1.63132919       0.25978669    1092.35688161     932.26893550   -1342.31218203
Kr       1.22592512       0.18365717       1.70288723    6205.99674254   -5279.48267829    2999.34295356
Kr       0.08343331       1.29585403       1.44809454   -6107.86965771    7863.17244192    2879.94227386