4 Lattice="3.759978022503537 0.0 0.0 -1.8799890112517685 3.2562364851592407 0.0 0.0 0.0 19.07788682491227" Properties=species:S:1:pos:R:3 energy=-20.727871868847384 dipole="-2.9178560656734924 1.6264947203193865 -1.1374236556708586e-06" free_energy=-20.74155363062356 pbc="T T F" Pt 0.00003174 2.17309822 10.86363145 S 1.88019811 1.08735086 7.50000000 S -0.00020777 0.00238880 11.57788682 Pt -0.00003282 2.17293362 8.21425980