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=30.23398271358249 stress="-5.248850581913883 0.04013510988868898 -0.3292835623983818 0.04013510988868898 -4.971856444180839 -0.07686406606030927 -0.3292835623983818 -0.07686406606030927 -2.8094313546896488" free_energy=30.23398271358249 pbc="T T F" Zr 0.09119645 2.84171359 0.21456242 -4.36005197 4.32420367 -30.08205976 Zr 1.73119639 1.47856966 0.18492541 -3.20855114 -7.78396577 -30.57303958 Zr 1.33178173 2.72324488 1.26192411 5.16083074 8.39170516 28.99301556 Zr 2.86392161 1.49473243 1.62263099 2.40777236 -4.93194306 31.66208378