3 Lattice="4.5024462683303215 0.0 0.0 -2.2512231341651607 3.8992328475485056 0.0 0.0 0.0 19.062193056098515" Properties=species:S:1:pos:R:3 energy=-8.558779208319674 pbc="T T F" Pb 0.00000000 0.00000000 9.53109653 I 2.25122313 1.29974428 11.56219306 I 2.25122313 1.29974428 7.50000000