12
Lattice="6.826681384643895 -1.5983811991479726e-07 0.0 -1.7734629665304723e-07 7.437246997903106 0.0 -2.401340008165329e-16 2.9083163744174444e-24 34.12533539339826" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-47.28118914681302 stress="-2.2590354259525952e-05 -9.22736671323535e-10 1.1736718710323899e-09 -9.22736671323535e-10 3.1408028218439726e-06 1.416336338028439e-05 1.1736718710323899e-09 1.416336338028439e-05 -3.067385404980162e-05" dipole="28.098203443541365 -10.712479071059589 -5.351879063643811e-06" magmom=0.0 free_energy=-47.28118914681306 pbc="T T F"
Se       3.17904553       5.93629067      18.00690776       0.00000000       0.00043654       0.00629256       0.00561057       0.00000000
Se       2.02015703       2.21766733      18.00690785       0.00000000      -0.00043689       0.00629123       0.00561062       0.00000000
Al       5.58717040       5.70291337      17.55080071       0.00000000       0.00053195       0.00444362      -0.00350108       0.00000000
Al       6.43871355       1.98428985      17.55080072       0.00000000      -0.00053218       0.00444418      -0.00350146       0.00000000
Br      -0.15550351       5.26172165      19.51453477       0.00000000       0.00200677      -0.00579122       0.00534103       0.00000000
Br       5.35470589       1.54309776      19.51453456       0.00000000      -0.00200703      -0.00579097       0.00534183       0.00000000
Se      -0.23429404      -0.02688728      16.11842223       0.00000000       0.00043480      -0.00630396      -0.00561263       0.00000000
Se       5.43349641       3.69173593      16.11842217       0.00000000      -0.00043299      -0.00630253      -0.00561185       0.00000000
Al       2.17383220       0.20648851      16.57452728       0.00000000       0.00049454      -0.00444409       0.00357005       0.00000000
Al       3.02537042       3.92511199      16.57452718       0.00000000      -0.00049539      -0.00444410       0.00357070       0.00000000
Br       3.25783529       0.64768271      14.61079852       0.00000000       0.00204000       0.00580209      -0.00540166       0.00000000
Br       1.94136698       4.36630650      14.61079878       0.00000000      -0.00204029       0.00580213      -0.00540262       0.00000000