3
Lattice="3.9275351732326733 0.0 0.0 -1.9637675866163367 3.401345234276411 0.0 0.0 0.0 18.474969848210556" Properties=species:S:1:pos:R:3 energy=-8.302718556420993 dipole="5.126643955427188 -2.95986926770525 3.91281942348903e-09" free_energy=-8.317459013965296 pbc="T T F"
Pt       0.00000000       0.00000000       9.23748494
I        1.96376759       1.13378174      10.97496985
I        1.96376759       1.13378174       7.50000000