4
Lattice="4.669664434546272 -0.5775906613284223 2.408651790050975e-16 -1.389565503465436 4.494257549078355 2.4326522808514776e-16 3.0862327925764086e-15 -2.009002286888112e-16 18.349565932724012" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-15.05439097949211 stress="-1.9014590028952008e-05 8.223156575882104e-05 -2.47152827841789e-06 8.223156575882104e-05 -3.7436839538945986e-07 1.3308699697318175e-05 -2.47152827841789e-06 1.3308699697318175e-05 -5.341772081901228e-05" dipole="-0.808069856453101 -1.9290312740491546 -7.853288741369561e-05" magmom=0.0 free_energy=-15.0698508339297 pbc="T T F"
I        2.12769166       2.38783224       7.49936189       0.00000000      -0.00190881       0.00138262      -0.00936892       0.00000000
Pt       3.50450155       1.23586518       9.43197493       0.00000000      -0.00095681      -0.00518004      -0.00136717       0.00000000
I        0.48793213       0.43028144      10.85070258       0.00000000      -0.00069534      -0.00013662       0.00666523       0.00000000
Pt       0.47479077       3.77130047       8.91772663       0.00000000       0.00342642       0.00405535       0.00407997       0.00000000