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=41.70609195875749 stress="-5.363656604259672 -0.6177172857631089 -0.7414919865204124 -0.6177172857631089 -6.401704027557383 0.582677957124402 -0.7414919865204124 0.582677957124402 -5.059194705352773" pbc="F T F" Re 0.05473499 -0.12063495 0.13661615 -71.31794641 3.88491037 -65.46797904 Re 1.40480033 1.28303047 0.11041876 40.73561508 5.72728077 -45.50776804 Re 1.26735611 -0.16466555 1.24148635 75.22880820 7.82889533 66.01215875 Re 0.08611608 1.53369179 1.52598936 -44.64647688 -17.44108646 44.96358833