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=24.12639300613864 stress="-1.558456155949691 0.010011150237093034 -0.029075005265485114 0.010011150237093034 -1.6054528933489725 -0.015887999601008947 -0.029075005265485114 -0.015887999601008947 -1.6319053815497484" pbc="T T T" Na -0.14459490 0.11115480 0.11044915 1.77204884 -2.02446197 -0.32624420 Na 1.70960170 1.31143450 -0.16166483 -2.60088852 2.19194829 0.45846189 Na 1.28829595 0.03769167 1.64041416 -0.91613109 -1.47509728 -0.76863318 Na -0.22187219 1.51878885 1.32834452 1.74497077 1.30761096 0.63641550