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=6.973496104331822 stress="-11.30837539634299 0.6931127498437959 -0.921194702064855 0.6931127498437959 -13.311580466164088 -3.2584916229282417 -0.921194702064855 -3.2584916229282417 -12.95577990162635" pbc="F F F" Na -0.14459490 0.11115480 0.11044915 -4.03328796 -6.18821485 -6.72533657 Na 1.70960170 1.31143450 -0.16166483 3.38363595 2.24107137 -2.36470873 Na 1.28829595 -0.16490224 1.64041416 3.36694460 -3.00858894 3.97855274 Na -0.22187219 1.51878885 1.32834452 -2.71729259 6.95573242 5.11149256