9
Lattice="20.04785137604249 -2.3386781672174173e-20 -1.926027013182826e-42 -3.0810504222328855e-20 20.39858147638797 -1.1246759667325125e-22 -3.716855951470832e-18 7.341261687089622e-21 6.357178350356777" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-832.4391533309888 stress="0.0004833560956765061 -1.4059476291403292e-05 6.239143088714155e-07 -1.4059476291403292e-05 0.0006625277034187956 -7.294106361650465e-07 6.239143088714155e-07 -7.294106361650465e-07 3.7960128458586183e-06" dipole="0.010993112350938862 -0.09024238320490137 4.82153146632362" magmom=0.0 free_energy=-832.4456761174081 pbc="F F T"
Zr      10.07820362       9.94442241       1.66284619       0.00000000      -0.00508939      -0.00285177      -0.00591221       0.00000000
Zr      10.07762343       9.94419818       4.62563856       0.00000000      -0.00087525      -0.00183228       0.00642955       0.00000000
Br       9.88028578      12.23513303       3.14496066       0.00000000       0.00245873       0.00101003      -0.00264394       0.00000000
Br      12.42817476       9.82286572       3.14348338       0.00000000      -0.00042699      -0.00477765       0.00133638       0.00000000
Br      11.76156320      11.26756095      -0.03477631       0.00000000       0.00187707       0.00666163       0.00061693       0.00000000
Br       7.78220278       9.42201100       3.14354100       0.00000000      -0.00072838       0.00288918       0.00008961       0.00000000
Br      10.24855354       7.79654560      -0.03398093       0.00000000       0.00480784       0.00399679      -0.00046570       0.00000000
Br       8.19985171      10.97562516      -0.03506323       0.00000000      -0.00262664      -0.00083684       0.00306221       0.00000000
H       10.18844298       8.65595512       3.14466344       0.00000000       0.00060930      -0.00381176      -0.00250133       0.00000000