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=11.440741236008593 stress="-102.37045748132041 -3.9023843860722827 -0.6842804604239419 -3.9023843860722827 -102.62121819994654 -2.587600377096173 -0.6842804604239419 -2.587600377096173 -103.04227860401775" pbc="F F F" U 0.06739851 0.04406558 -0.03649380 -34.58111276 -37.06250225 -38.72220878 U 1.55249085 1.49801782 0.03825058 36.76010048 36.32556163 -31.66765188 U 1.50962079 -0.01056335 1.47963039 31.31835395 -32.88299613 34.99582208 U -0.01052666 1.47206420 1.44260401 -33.49734167 33.61993676 35.39403858