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=20.8927010766652 stress="-1.4396127098046012 0.010214360675326203 -0.029489910518352327 0.010214360675326203 -1.486720539774372 -0.016015656108078785 -0.029489910518352327 -0.016015656108078785 -1.5128645864088057" pbc="T T T" Na -0.14459490 0.11115480 0.11044915 1.77237268 -2.02513637 -0.32823704 Na 1.70960170 1.31143450 -0.16166483 -2.60464047 2.19412906 0.46104231 Na 1.28829595 0.03769167 1.64041416 -0.91471019 -1.47554315 -0.77030806 Na -0.22187219 1.51878885 1.32834452 1.74697798 1.30655046 0.63750279