17
Lattice="20.04785137604249 -1.5278100679199654e-30 7.217288002778546e-27 4.300862527723253e-17 20.398581476388 6.681200460626486e-15 -5.7280822525789115e-31 7.949737166990303e-15 12.626239364785889" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-1661.6709449536113 stress="0.0005385969165604438 -6.279707279110673e-06 -2.2591298098417846e-07 -6.279707279110673e-06 0.0006130827807761585 1.3705902979634214e-07 -2.2591298098417846e-07 1.3705902979634214e-07 3.728784311462931e-05" dipole="0.007343638919478638 -0.09912278096548137 11.394680452710158" magmom=0.0 free_energy=-1661.6751852925208 pbc="F F T"
Zr      10.06392506      10.10025681       1.69176207       0.00000000      -0.00072300      -0.00055580      -0.03648305       0.00000000
Zr      10.06430369      10.09952819       4.56247521       0.00000000      -0.00078010      -0.00011872       0.03676015       0.00000000
Br       9.87573295      12.43511960       3.12777433       0.00000000      -0.00167034      -0.00250492      -0.00004224       0.00000000
Br      12.41872857       9.98384892       3.12664059       0.00000000      -0.00240779      -0.00123600       0.00033266       0.00000000
Br      11.83193938      11.33028307      -0.11852570       0.00000000      -0.00349117      -0.00114560       0.00538460       0.00000000
Br       7.75968584       9.60552355       3.12718137       0.00000000       0.00165216      -0.00215125      -0.00013468       0.00000000
Br      10.24499442       7.86946040       0.11710554       0.00000000      -0.00093835      -0.00049019       0.00170604       0.00000000
Br       8.11678850      11.02705601      -0.11586278       0.00000000       0.00466347       0.00107491       0.00439007       0.00000000
H       10.17278972       8.76613205       3.12681560       0.00000000      -0.00035881      -0.00069243       0.00012407       0.00000000
Zr      10.07089653       9.98435178       7.84272619       0.00000000      -0.00003461       0.01075234      -0.00453484       0.00000000
Zr      10.07053860       9.98539213      11.03797295       0.00000000      -0.00003419       0.01000316       0.00441402       0.00000000
Br       9.89498307      12.15709151       9.43971913       0.00000000       0.00074151      -0.00462480       0.00015469       0.00000000
Br      12.03976574       8.97794511       9.44087188       0.00000000       0.00280375       0.00107259      -0.00021423       0.00000000
Br      11.83304469      11.32818628       6.37292332       0.00000000      -0.00372680      -0.00056477      -0.00557321       0.00000000
Br       8.28451454       8.68030355       9.44051375       0.00000000       0.00033501      -0.00225133      -0.00006915       0.00000000
Br      10.24523493       7.86841123       6.13710692       0.00000000      -0.00112362      -0.00004812      -0.00147792       0.00000000
Br       8.11730034      11.02594244       6.37026982       0.00000000       0.00448723       0.00144700      -0.00473223       0.00000000