12 Lattice="5.952398978353198 0.0 0.0 0.0 5.952398978353198 0.0 0.0 0.0 5.952389024210976" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-54.369073558457316 pbc="T T T" Pb -0.11309507 -0.11309507 -0.11258463 0.00000000 Br 2.90427377 -0.01907583 -0.01905565 0.00000000 Br -0.01907583 2.90427377 -0.01905565 0.00000000 Br -0.01931744 -0.01931744 2.90481394 0.00000000 N 2.30147974 2.30147974 2.30233343 0.00000000 H 1.66855925 2.84358986 1.66938283 0.00000000 H 1.66848884 1.66848884 2.84433343 0.00000000 H 2.84358986 1.66855925 1.66938283 0.00000000 C 3.15483997 3.15483997 3.15585567 0.00000000 H 3.78779177 2.51806876 3.78889203 0.00000000 H 2.51806876 3.78779177 3.78889203 0.00000000 H 3.78791714 3.78791714 2.51924190 0.00000000