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=18280.720116614284 stress="-57669.950713324215 -3400.4687566232587 -8017.211392040226 -3400.4687566232587 -90977.99756486196 19760.335226970783 -8017.211392040226 19760.335226970783 -75242.77526435304" pbc="F F F"
Lu       0.07687107      -0.24837626       0.01905723  -18664.10053832  -20163.18857607  -30958.04955050 
Lu       1.69660306       1.36677805       0.23999195   16845.14198898   40199.31252649  -33339.10857993 
Lu       1.46841859      -0.08766107       1.33306007   19467.12733453  -41470.79923319   46901.95026233 
Lu      -0.10988500       1.27788396       1.22509318  -17648.16878519   21434.67528277   17395.20786809