9
Lattice="20.499013005919117 -6.07909418295162e-21 -6.245882160560527e-24 4.843856499697221e-14 20.783979812507496 -1.3269416727828239e-13 4.739398586584008e-16 -4.5350779062166855e-14 6.73827530161143" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-849.8273589115882 stress="0.0006820329098281563 5.8154814895536194e-05 -8.044663329817533e-06 5.8154814895536194e-05 0.0004276769851678777 2.2710654521716307e-05 -8.044663329817533e-06 2.2710654521716307e-05 -1.641219138405204e-06" dipole="-0.015779125103630644 -0.026856131179517396 -15.076648702525185" magmom=0.0 free_energy=-849.8273589116092 pbc="F F T"
Zr      10.51099763      11.08164262       4.87220802       0.00000000       0.00803128      -0.00037820       0.00042251       0.00000000
Zr      10.62064026       9.77939395       1.70009013       0.00000000      -0.00471036      -0.00234559      -0.00121354       0.00000000
Br      11.11532497       7.41429692       2.42358131       0.00000000       0.00017210       0.00300232      -0.00295322       0.00000000
Br      11.27393031       8.66076490      -0.78967038       0.00000000       0.00511463       0.00131897       0.00524294       0.00000000
Br       8.52763931       9.80634177       3.51228592       0.00000000       0.00131200      -0.00154401      -0.00382887       0.00000000
Br      12.04591746      11.81236919       0.27904023       0.00000000      -0.00015575      -0.00408438      -0.00093810       0.00000000
Br       9.85507496      13.46857632       4.42148069       0.00000000      -0.00425256       0.00683040      -0.00200654       0.00000000
Br       8.58368662      10.81206324       0.22164617       0.00000000      -0.00448447       0.00334234       0.00060552       0.00000000
O       11.43723289      10.69074154       3.21640831       0.00000000      -0.00584684      -0.00619263       0.00453474       0.00000000