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=42.5966767653 stress="-13.703374922222375 1.8847103328532802 0.4316668189844106 1.8847103328532802 -10.607550427379689 1.6034878527862293 0.4316668189844106 1.6034878527862293 -14.434386144914983" pbc="F F F" Na -0.29358810 0.26767637 -0.28756333 -18.55149279 -12.68447814 -13.79205964 Na 1.29960156 1.39723558 0.17842378 19.94095123 27.93124528 -30.70763412 Na 1.64553500 0.14594781 1.45785282 26.95066508 -32.68426062 16.22968472 Na 0.24717822 1.28013645 1.77652831 -28.34012352 17.43749348 28.27000903