3
Lattice="3.793016 3.6e-05 -0.00022 -1.896477 3.284795 0.0 -0.000356 -0.000205 6.32621" Properties=species:S:1:pos:R:3:forces:R:3 energy=-18.465188496592845 stress="0.002731249760474751 -1.641599066741916e-05 -6.37713864635319e-05 -1.641599066741916e-05 0.0026892184693779035 1.6031257787902024e-05 -6.37713864635319e-05 1.6031257787902024e-05 0.0016500154040059913" dipole="2.0900137236625953e-05 1.1953548413361726e-05 -1.7947131542925618e-09" pbc="T T T"
Se       0.00006000       2.18990000       1.59794000       0.00128106      -0.00034767      -0.18532920
Se       1.89613000       1.09473000       4.72805000      -0.00128739       0.00034400       0.18532918
Zr       0.00000000       0.00000000       0.00000000       0.00000627       0.00000360       0.00000001