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=30.0400221576 stress="-18.562035465182692 -2.836018362177057 -0.21581703666229735 -2.836018362177057 -27.64307928166695 -7.002599822003251 -0.21581703666229735 -7.002599822003251 -25.071895816251104" pbc="F F F" U -0.10028026 -0.12633864 -0.03902326 -34.11854607 -75.20617481 -65.33615444 U 1.28219307 1.71813893 -0.23283931 31.25944295 38.61887581 -32.27174502 U 1.69410236 -0.16903503 1.38201197 33.10323871 -22.19246100 24.15950270 U -0.06699407 1.22002482 1.27696427 -30.24413559 58.77976001 73.44839676