4
Lattice="3.4271047042002376 0.1783708990462191 2.371839864444366e-16 -0.26902795523857154 5.151036166602515 2.788346097754232e-16 -1.3235313073394187e-18 -7.849813527993683e-20 18.607643278342575" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-12.848945901028344 stress="5.348858005704609e-05 -3.0361540407687895e-06 -1.4132958271747004e-05 -3.0361540407687895e-06 -4.770209364555423e-05 -2.4868061782152602e-05 -1.4132958271747004e-05 -2.4868061782152602e-05 -4.149051922739096e-05" dipole="0.13369834142796752 2.3526643792454123 -5.1026584684875435e-05" magmom=0.0 free_energy=-12.857967546371546 pbc="T T F"
Al       0.66018505       3.91337285       9.30374407       0.00000000      -0.00320055       0.00261468      -0.00014019       0.00000000
Br       2.37323843       4.00790318       7.49786421       0.00000000      -0.00215265      -0.00384450      -0.00493176       0.00000000
Se       0.79075853       1.34053942       9.30467322       0.00000000       0.00493220       0.00053534       0.00023837       0.00000000
Br       2.37245207       4.00581347      11.10974596       0.00000000       0.00042297       0.00069042       0.00482959       0.00000000