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=46495.61032004757 stress="-170874.29333472182 42907.63060655532 23059.455960700812 42907.63060655532 -195421.93760131532 45730.797401027434 23059.455960700812 45730.797401027434 -199007.40892258618" pbc="F F F" Lu 0.06347928 -0.02179818 0.21808196 -49553.91733921 -36406.00400759 -31477.57077120 Lu 1.42931040 1.26587308 0.18336111 75462.68809527 56517.22042135 -112196.45903821 Lu 1.26692975 0.26714342 1.62413388 69201.60024878 -112255.25668127 102623.69827955 Lu 0.22619227 1.66123580 1.45601604 -95110.37100484 92144.04026751 41050.33152985