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=29.734119853014768 stress="-0.7407227655588984 0.02215613010840058 -0.02701878414815341 0.02215613010840058 -1.7826970031559755 0.0071623064172390855 -0.02701878414815341 0.0071623064172390855 -0.7532379545826676" pbc="F T F" Na 0.13661615 -0.09519967 0.11041876 -8.93774869 -1.02242781 -7.32167598 Na 1.26735611 1.33533445 0.08611608 7.05133738 1.35749680 -9.37264251 Na 1.53369179 0.02598936 1.22329650 9.49066704 -1.68336923 6.98075918 Na 0.29874826 1.27290972 1.38090187 -7.60425573 1.34830024 9.71355932