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=-4.2505146479872815 stress="0.18250994894809816 0.03323060468257269 0.017123061578349835 0.03323060468257269 0.05717486421642591 -0.23333922201479423 0.017123061578349835 -0.23333922201479423 -0.048042578801549725" pbc="F T F" Be 0.11298425 0.11274071 0.04922453 1.74069032 0.02706782 1.55213583 Be 1.77756747 1.61030143 0.27818949 -1.30504338 -5.35671965 -3.38774337 Be 1.66883339 -0.11864975 1.45044332 -1.85293623 5.14365441 3.41887958 Be 0.20292632 1.19381400 1.76577993 1.41728930 0.18599742 -1.58327203