8
Lattice="5.458346 0.0 0.008288 0.0 3.78266 0.0 -1.233439 0.0 9.636233" Properties=species:S:1:pos:R:3:forces:R:3 energy=-44.31725427059222 stress="0.0008383425321973823 7.45238586827364e-11 9.1473842668046e-05 7.45238586827364e-11 0.0021095218383220165 4.04500314098319e-10 9.1473842668046e-05 4.04500314098319e-10 0.00040524878164339886" dipole="6.251539370067821e-05 0.00022187250115018967 2.3251399189233787e-05" pbc="T T T"
Se       4.64961000       0.94567000       1.67728000      -0.07245495      -0.00000027       0.10372994
Se       2.26828000       0.94567000       1.72692000       0.07275409      -0.00000026       0.09272768
Se       0.74381000       2.83700000       4.30561000       0.01047243       0.00000021       0.04830421
Se       3.48110000       0.94567000       5.33891000      -0.01047327      -0.00000021      -0.04822558
Se       1.95662000       2.83700000       7.91761000      -0.07263312       0.00000026      -0.09270547
Se      -0.42470000       2.83700000       7.96724000       0.07234392       0.00000027      -0.10370344
Zr       3.47636000       2.83700000       3.33434000       0.00888817       0.00000356      -0.01416379
Zr       0.74855000       0.94567000       6.31019000      -0.00889731      -0.00000356       0.01403702