3 Lattice="5.001858193560367 2.832386039347999e-18 0.0 -1.1255738395021893e-18 5.001858193558439 0.0 -1.5468377341216562e-17 0.0 19.03050865276332" Properties=species:S:1:pos:R:3 energy=-8.358515285239926 pbc="T T F" Pb -0.00000000 -0.00000000 9.51525433 I -0.00000000 2.50092910 11.41092423 I 2.50092910 0.00000000 7.61958443