17
Lattice="20.499013005919117 -3.739513677322021e-29 -4.724416818193572e-36 1.7528359691111317e-17 20.783979812504512 -1.1612059363882852e-13 2.7062472660584554e-18 -6.61474712991485e-14 12.81451531840783" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-1678.9345394289644 stress="0.0005954576229459973 4.671350373471371e-05 -8.94025369172761e-06 4.671350373471371e-05 0.0005110609459147588 2.6512114482492804e-05 -8.94025369172761e-06 2.6512114482492804e-05 3.013406118990147e-07" dipole="0.03729077767911602 0.013673691465849952 6.706265012991324" magmom=0.0 free_energy=-1678.9345515873429 pbc="F F T"
Zr      10.08528795      11.21340987       4.63390199       0.00000000       0.00258840       0.00388704       0.00501426       0.00000000
Zr      10.80842769       9.58568947       1.70361750       0.00000000      -0.00498946      -0.00180221       0.00253804       0.00000000
Br      11.92839751       7.52072793       2.60932270       0.00000000       0.00172613       0.00085543      -0.00120781       0.00000000
Br       9.76858239       7.92638222      -0.33310670       0.00000000       0.00351746       0.00174808       0.00260832       0.00000000
Br       8.44459224       9.52303136       3.16630308       0.00000000       0.00344518       0.00450107       0.00456104       0.00000000
Br      12.71274691      10.31152569      -0.05331092       0.00000000      -0.00222076       0.00130499      -0.00105325       0.00000000
Br       9.33164880      13.44273234       3.73916535       0.00000000       0.00281095      -0.00296843       0.00006340       0.00000000
Br       9.30041525      11.53175579       0.25994448       0.00000000       0.00058527      -0.00370706       0.00037898       0.00000000
O       11.27409613      10.76524385       3.17115848       0.00000000       0.00250307      -0.00056694       0.00124958       0.00000000
Zr      10.47395961      10.14092594      11.08805672       0.00000000      -0.00189272       0.00176922      -0.00416643       0.00000000
Zr      10.26918798      10.59469490       8.07920788       0.00000000       0.00031909       0.00421722       0.00194094       0.00000000
Br      12.18889555       9.11606114       9.29578131       0.00000000      -0.00219911      -0.00119729      -0.00309000       0.00000000
Br      10.46868096       8.78747606       6.09135772       0.00000000       0.00032142      -0.00326455      -0.00671065       0.00000000
Br       8.35386134       9.49831098       9.58949775       0.00000000      -0.00178600      -0.00055508      -0.00501768       0.00000000
Br      11.92135032      12.10186841       6.39348280       0.00000000      -0.00559025      -0.00053054       0.00027391       0.00000000
Br      10.70241277      12.55063996       9.86451534       0.00000000       0.00251450      -0.00091415      -0.00088323       0.00000000
Br       8.17293268      11.59631419       6.68500067       0.00000000      -0.00239816      -0.00159256       0.00454505       0.00000000