12
Lattice="3.7275216266018907 6.620552173348263e-22 0.0 3.713722810471936e-17 12.469950914128958 0.0 6.554631598219268e-17 3.401907473624669e-36 35.22072" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-58.36154257638167 stress="1.6725612001114686e-05 0.0 -3.112662802145246e-23 0.0 2.5038595982861772e-05 0.0 -3.112662802145246e-23 0.0 2.7127282198762266e-05" dipole="-4.3216451147631737e-13 8.723479292758962e-13 -1.9251685255739053e-12" magmom=0.0 free_energy=-58.361720471537545 pbc="T T F"
Zr       0.00000000      -0.00000000      16.56388900       0.00000000      -0.00000000       0.00000000      -0.00199102       0.00000000
Zr       1.86376081       6.23497546      18.65683100       0.00000000       0.00000000       0.00000000       0.00199102       0.00000000
Se       0.00000000       6.23497546      16.62821430       0.00000000      -0.00000000       0.00000000      -0.00308105       0.00000000
Se       1.86376081      -0.00000000      18.59250570       0.00000000       0.00000000       0.00000000       0.00308105       0.00000000
Se       0.00000000       7.42979926      20.27066695       0.00000000       0.00000000      -0.00230608      -0.00191261       0.00000000
Se       0.00000000       5.04015165      20.27066695       0.00000000       0.00000000       0.00230608      -0.00191261       0.00000000
Se       1.86376081      11.27512711      14.95005305       0.00000000       0.00000000       0.00230608       0.00191261       0.00000000
Se       1.86376081       1.19482380      14.95005305       0.00000000       0.00000000      -0.00230608       0.00191261       0.00000000
Se       0.00000000       2.34952665      18.05235083       0.00000000       0.00000000      -0.00213233      -0.00595712       0.00000000
Se       0.00000000      10.12042426      18.05235083       0.00000000       0.00000000       0.00213233      -0.00595712       0.00000000
Se       1.86376081       3.88544881      17.16836917       0.00000000       0.00000000       0.00213233       0.00595712       0.00000000
Se       1.86376081       8.58450211      17.16836917       0.00000000       0.00000000      -0.00213233       0.00595712       0.00000000