4
Lattice="3.522324 0.0 0.0 -1.761162 3.050422 0.0 -1.761162 1.016807 9.443353" Properties=species:S:1:pos:R:3:forces:R:3 energy=-22.075040864974866 stress="-0.002412776501041008 1.9349938358203667e-05 -3.4445728974893314e-05 1.9349938358203667e-05 -0.0023904987405857963 1.9858501828306217e-05 -3.4445728974893314e-05 1.9858501828306217e-05 -0.0014751906920611386" dipole="6.951051657064002e-06 -1.8178806270995157e-05 1.8144661703654664e-06" pbc="T T T"
Br       0.00000000       2.03361000       1.64366000      -0.00064097       0.00038835       0.18791541
Br      -0.00000000       2.03361000       7.79969000       0.00064101      -0.00035783      -0.18782687
Zr       1.76116000       1.01681000       3.54734000       0.00015531      -0.00011590      -0.01447636
Zr      -1.76116000       3.05042000       5.89602000      -0.00015533       0.00008553       0.01440190