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=8.42728308132028 stress="-89.15866707215463 7.48150594687587 -2.795048903750235 7.48150594687587 -88.18569627655982 7.557256982173328 -2.795048903750235 7.557256982173328 -88.70072867284497" pbc="F F F" U -0.07425917 -0.03778175 0.05520823 -29.69164500 -23.21581826 -25.79524120 U 1.44746241 1.49683858 -0.01925213 24.07635080 29.32839921 -33.64879078 U 1.47674592 0.04526777 1.45706330 35.95610200 -35.63531185 32.99034242 U 0.03275620 1.52498812 1.56530189 -30.34080781 29.52273090 26.45368956