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=-11.416625192153438 stress="-0.1848557041154533 -0.16384250024285862 0.07961540226283925 -0.16384250024285862 -0.2464880413340535 -0.010477764430743629 0.07961540226283925 -0.010477764430743629 0.12739746352087886" free_energy=-11.416625192153438 pbc="T F T" O 0.24759167 0.11018303 2.92518197 -1.80207120 -1.48139465 1.37405159 O 1.24663523 1.48702489 2.94857885 2.63518333 1.81423046 1.87414028 Be 1.68843096 0.17061300 1.79169807 -1.49617276 -3.60743338 -1.60108213 Be 2.96863002 1.44630638 1.53851086 0.66306064 3.27459758 -1.64710974