4
Lattice="0.0 -3.706665 0.0 4.21138 1.853333 -0.004677 -1.749954 0.0 6.083329" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13.647005435559649 stress="-0.011662391855585517 1.8611644900653765e-05 0.0017357109802740535 1.8611644900653765e-05 -0.016692268477079657 -6.262634045034514e-05 0.0017357109802740535 -6.262634045034514e-05 -0.013913916965294584" dipole="8.037355593860141e-06 1.0444305203988097e-05 -3.6120287434532906e-06" pbc="T T T"
Au       0.00000000       0.00000000       0.00000000       0.00002398       0.00000174      -0.00003076
Au      -0.87497484      -1.85333073       3.04165699       0.00003297      -0.00001144       0.00007529
Se       2.37052000      -1.85333000       1.62479000      -0.01018233       0.00096795      -0.02687862
Se       0.09091000       0.00000000       4.45386000       0.01012526      -0.00095824       0.02683407