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=8778.277863164916 stress="-36572.607428358446 -21252.775205730577 -11997.249869413425 -21252.775205730577 -40452.87207997948 1617.8919155337917 -11997.249869413425 1617.8919155337917 -31207.179769440616" pbc="F F F"
Lu       0.19389960       0.09126930      -0.27352762  -25779.44677612  -20573.31400214  -14784.34084255 
Lu       1.47528329       1.51074939      -0.17453042   19217.77160331   23673.98602454   -3161.34042767 
Lu       1.20010179       0.12088739       1.45655553   10392.94553481   -7374.84783745   16505.72384427 
Lu      -0.19496982       1.74458202       1.78477553   -3831.27036200    4274.17581505    1439.95742595