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=1.0286996990133077 stress="-2.42315263592296 0.20566649617547367 -0.4470661589404066 0.20566649617547367 -4.069530707858784 -1.8900123273037255 -0.4470661589404066 -1.8900123273037255 -3.760074287642842" pbc="F F F" Ne -0.14459490 0.11115480 0.11044915 -0.94141452 -2.24915501 -2.37863034 Ne 1.70960170 1.31143450 -0.16166483 0.64327980 0.44604415 -0.38789225 Ne 1.28829595 -0.16490224 1.64041416 0.82999001 -0.59157687 0.91386116 Ne -0.22187219 1.51878885 1.32834452 -0.53185528 2.39468773 1.85266144