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=-16.894536689533453 stress="26.63398760630021 -1.318407448704332 -1.0146348965096426 -1.318407448704332 27.80477638385336 -2.610374070810849 -1.0146348965096426 -2.610374070810849 24.483873317259352" pbc="F F F" C -0.09845980 -0.20872833 0.18349397 7.32381181 8.46017793 6.94193669 C 1.22172849 1.39249514 0.29393529 -11.50875357 -9.21361007 13.31696473 C 1.27603944 0.12004229 1.57986675 -8.44333351 9.89569441 -11.97378219 C -0.08538679 1.57476255 1.29811316 12.62827527 -9.14226227 -8.28511922