20
Lattice="3.892414 -7.022915 0.0 3.892414 7.022915 0.0 0.0 0.0 14.875595" Properties=species:S:1:pos:R:3:forces:R:3 energy=-74.75505435341196 stress="-0.0009880240205797624 -4.066263024275189e-12 -6.821928826331673e-08 -4.066263024275189e-12 -2.839204990009717e-05 1.8564861531781367e-07 -6.821928826331673e-08 1.8564861531781367e-07 0.00010536341804011361" dipole="0.0009499675997490604 -2.8963332736762864e-06 14.686139258074572" pbc="T T T"
I        3.89241000      -3.43750000       0.58224000       0.00001820      -0.02900150       0.01427302
I        3.89241000       3.31461000       0.76692000       0.00001522      -0.01766566       0.00678760
I        3.89241000       0.16438000       2.89741000       0.00001524       0.02560318      -0.00554686
I        3.89241000       6.91432000       3.07537000       0.00001804       0.03496674      -0.01633709
I        1.89399000       3.25786000       4.08396000      -0.00396462      -0.04227661      -0.05820147
I        5.89083000       3.25786000       4.08396000       0.00396484      -0.04227894      -0.05820491
I        1.90549000      -0.21216000       7.02101000      -0.01219734      -0.05410921       0.05289470
I        5.87934000      -0.21216000       7.02101000       0.01218447      -0.05411224       0.05290029
I        3.89241000       3.43750000       8.02003000       0.00001820       0.02903600       0.01428572
I        3.89241000      -3.31461000       8.20472000       0.00001522       0.01767496       0.00675691
I        3.89241000      -0.16438000      10.33522000       0.00001524      -0.02560480      -0.00560650
I        3.89241000      -6.91432000      10.51317000       0.00001804      -0.03496612      -0.01636395
I        1.89399000      -3.25786000      11.52175000      -0.00396736       0.04224403      -0.05816559
I        5.89083000      -3.25786000      11.52175000       0.00396757       0.04224636      -0.05816903
I        1.90549000       0.21216000      14.45881000      -0.01220424       0.05409802       0.05287462
I        5.87934000       0.21216000      14.45881000       0.01219138       0.05410104       0.05288021
Nb       1.65702000       1.74002000       1.83001000       0.07408604      -0.01524789       0.00619974
Nb       6.12781000       1.74002000       1.83001000      -0.07414019      -0.01524828       0.00619909
Nb       1.65702000      -1.74002000       9.26781000       0.07407610       0.01527480       0.00611303
Nb       6.12781000      -1.74002000       9.26781000      -0.07413025       0.01527518       0.00611238