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=10.654125047258404 stress="-11.833472677743476 0.6067405192310367 0.16138401237739064 0.6067405192310367 -10.6274175331884 -0.07839664339875352 0.16138401237739064 -0.07839664339875352 -10.935088872525498" pbc="F F F" Na -0.14459490 0.11115480 0.11044915 -3.81914614 -3.91931572 -4.31910682 Na 1.70960170 1.31143450 -0.16166483 3.87426440 2.45197665 -2.98508642 Na 1.28829595 -0.16490224 1.64041416 3.07619085 -3.33724120 3.93201335 Na -0.22187219 1.51878885 1.32834452 -3.13130911 4.80458026 3.37217989