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=119.20402757040394 stress="-17.834120693876486 5.568460533137059 3.546931417837799 5.568460533137059 -26.55979173555439 10.953777110478214 3.546931417837799 10.953777110478214 -20.994943699539675" free_energy=119.20402757040394 pbc="T F T"
U       2.92299150       0.18107110       2.82825321      33.71771900    -209.70641625     140.83913361 
U       1.63102478       1.59995250       0.26120756      16.63555119     222.49624662    -152.18653954 
U       1.51193751       0.25226748       1.46431997      78.70371889    -317.56301607      72.42279319 
U       0.28251096       1.57236142       1.70379337    -129.05698908     304.77318570     -61.07538726