4
Lattice="2.459866 -3.602928 0.0 -2.459866 -3.602928 0.0 0.0 0.0 -8.876061" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6.452836998824994 stress="-0.004965719397803213 -1.0951780738263899e-15 3.6829407012178215e-08 -1.0951780738263899e-15 -0.005678170975297922 3.1555269351262365e-16 3.6829407012178215e-08 3.1555269351262365e-16 -0.0038543809755171425" dipole="1.5743496266499596e-06 -4.269200312499705e-05 -1.7259413405238877" pbc="T T T"
Br      -1.60385000      -3.60293000      -1.10393000      -0.00242489      -0.00000000      -0.00932920
Br       1.60385000      -3.60293000      -5.54196000       0.00245709      -0.00000000      -0.00933358
I        0.00113000      -3.60293000      -3.32611000      -0.00352529      -0.00000000       0.00934938
I       -0.00113000      -3.60293000      -7.76414000       0.00346856      -0.00000000       0.00921249