18
Lattice="6.684481302178752 0.0 -0.08742616102550582 4.177281253712814e-16 6.8226014608028365 -5.4634555326961294e-18 0.18673212514433962 -3.1974935710105123 14.277275639259527" Properties=species:S:1:pos:R:3:forces:R:3 energy=-47.95898460021537 stress="-0.0033038158504196265 4.296694640123392e-06 -9.568426592823347e-07 4.296694640123392e-06 -0.003335705571102959 0.0003389455999506645 -9.568426592823347e-07 0.0003389455999506645 -0.0033948356401314024" dipole="-0.6060670809126012 12.764088272411286 -46.36390349878021" free_energy=-47.9589846008908 pbc="T T T"
Al       6.79229916      -0.08736396       9.37961755      -0.04450604       0.01863938       0.03707788
Al       0.04644201       1.51138888       2.32798357       0.04560199       0.01861534       0.03591277
Br       1.40424924       2.61892194      12.77702915      -0.04219624      -0.04182063      -0.01292796
Br       4.29873574      -2.03022971      12.73260017       0.01516337       0.01500408      -0.04338404
Br       5.89166569       1.00499202      11.23569802       0.00528078       0.00735260      -0.01408881
Br       2.41444718       0.08937767       9.53961434       0.03546782       0.00528121      -0.00481908
Br       6.02696516       4.52602005       9.41184431       0.00085600      -0.00729874       0.00721795
Br       2.71825021       3.35765608       7.68128583      -0.02549462      -0.04049947       0.00668032
Br       5.93135738       0.84445893       7.41307577      -0.00570261      -0.00462645      -0.01927529
Br       5.52151314       4.21767465       5.58332668       0.04186902      -0.04185657      -0.01406697
Br       2.62684462      -0.43148687       5.61460379      -0.01622654       0.01495733      -0.04290792
Br       0.99532036       2.60374485       4.15987432      -0.00566955       0.00734489      -0.01396846
Br       4.42699096       1.68812050       2.37342933      -0.03567453       0.00529775      -0.00388194
Br       0.81236718       6.12477275       2.34019303      -0.00067467      -0.00726925       0.00722055
Br       4.07469010       4.95639892       0.52368198       0.02563104      -0.04043834       0.00600146
Br       0.85566739       2.44321177       0.33959772       0.00518510      -0.00464806      -0.01939867
Se       4.03160044      -1.57401882       7.13134170       0.04172058       0.04530052       0.04415350
Se       2.74740617       0.02473402       0.00827477      -0.04061994       0.04516929       0.04527985