8
Lattice="6.896597 0.0 0.0 -3.448299 5.972628 0.0 0.0 0.0 6.246746" Properties=species:S:1:pos:R:3:forces:R:3 energy=-35.810859925084294 stress="-0.0019165608536550703 -3.100481566050135e-05 -2.0782061508814843e-11 -3.100481566050135e-05 -0.0019513789755906492 -5.1156093190264434e-11 -2.0782061508814843e-11 -5.1156093190264434e-11 -0.0008902640660752497" dipole="2.1307002997809865e-06 -5.4849467149687715e-06 7.430292238937651e-06" pbc="T T T"
Br       2.21805000       0.00000000       1.56169000      -0.18020194      -0.00000594      -0.00001945
Br      -1.10902078       1.92088000       1.56169000       0.09008775      -0.15606190      -0.00001944
Br       2.33928000       4.05174000       1.56169000       0.08973332       0.15544550      -0.00001947
Br       4.67855000       0.00000000       4.68506000       0.18019100       0.00000113       0.00000602
Br       1.10902000       1.92088000       4.68506000      -0.08971847      -0.15541617       0.00000602
Br      -2.33927360       4.05174000       4.68506000      -0.09012299       0.15612249       0.00000603
Zr       0.00000000       0.00000000       0.00000000       0.00001569      -0.00004250       0.00001487
Zr       0.00000000       0.00000000       3.12337000       0.00001571      -0.00004248       0.00002547