16 Lattice="7.4949 0.0 0.0 0.0 6.957003 -0.0 0.0 -0.0 6.436983" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-852.150148 dipole="-8.95427892 7.17320935 6.93393443" pbc="T T T" Cd 0.00000000 -0.02260000 0.04440000 0.00000000 Cd 3.74740000 -0.02260000 0.04440000 0.00000000 Cd 0.00000000 2.34160000 3.26290000 0.00000000 Cd 3.74740000 2.34160000 3.26290000 0.00000000 Si 1.87370000 3.59430000 -0.02010000 0.00000000 Si 5.62120000 5.68170000 3.19840000 0.00000000 Si 5.62120000 3.59430000 -0.02010000 0.00000000 Si 1.87370000 5.68170000 3.19840000 0.00000000 P 0.00000000 -0.10100000 2.56360000 0.00000000 P 1.87370000 3.66960000 2.23990000 0.00000000 P 3.74740000 -0.10100000 2.56360000 0.00000000 P 5.62120000 3.66960000 2.23990000 0.00000000 P 0.00000000 2.42000000 5.78210000 0.00000000 P 3.74740000 2.42000000 5.78210000 0.00000000 P 1.87370000 5.60640000 5.45840000 0.00000000 P 5.62120000 5.60640000 5.45840000 0.00000000