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=2315.942689768929 stress="-365.07940479533187 188.93190632803305 -62.33594110250312 188.93190632803305 -385.9893211131392 -62.274144191347524 -62.33594110250312 -62.274144191347524 -284.9738648279559" free_energy=2315.942689768929 pbc="T F F"
Kr       0.15839933       0.09073906       0.27219963   -1190.48402163   -3515.95872340   -4536.97306782
Kr       1.43381326       1.63132919       0.25978669    1092.35690558     932.26896348   -1342.31220226
Kr       1.22592512       0.18365717       1.70288723    6205.99681380   -5279.48269687    2999.34298024
Kr       0.08343331       1.29585403       1.44809454   -6107.86969775    7863.17245679    2879.94228984