12
Lattice="6.4251942520205105 -0.01781481761660187 0.0 -3.228002090081717 5.589395153371418 0.0 -6.760066135677316e-17 1.7643975326697373e-18 33.19" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-82.29604269786401 stress="1.26204069708964e-05 -1.0421440918692552e-05 2.625901463874511e-23 -1.0421440918692552e-05 -2.1497885044772165e-05 -2.0083327077267185e-23 2.625901463874511e-23 -2.0083327077267185e-23 8.979799904021366e-05" dipole="13.485328741652074 -7.861444418803026 -9.538465709275778e-14" magmom=1.6840962942819138 free_energy=-82.38879867586485 pbc="T T F"
Nb      -0.03980657       5.56640587      16.59500000        1       1.00000000      -0.00347858       0.00098014       0.00000000       0.07137414
Cr       3.23223954       5.59172205      16.59500000        2       1.00000000       0.00151373       0.00208069       0.00000000       0.78099820
Nb       1.57419494       2.77170742      16.59500000        1       1.00000000      -0.00349550       0.00100943       0.00000000       0.07137413
Cr       4.84624325       2.79702604      16.59500000        2       1.00000000       0.00152911       0.00209043       0.00000000       0.78085567
S        1.53499197       0.88593354      18.16002943        0       1.00000000      -0.00170757      -0.00172236       0.00034559      -0.00435460
S        4.87967044       0.95333536      18.06564380        0       1.00000000       0.00211146      -0.00014149      -0.00047939      -0.02700319
S       -0.07900917       3.68063101      18.16003042        0       1.00000000      -0.00171503      -0.00172528       0.00032150      -0.00435078
S        3.26567006       3.74803174      18.06564383        0       1.00000000       0.00212574      -0.00016562      -0.00047920      -0.02700320
S        1.53499197       0.88593354      15.02997057        0       1.00000000      -0.00170757      -0.00172236      -0.00034559      -0.00435460
S        4.87967044       0.95333536      15.12435620        0       1.00000000       0.00211146      -0.00014149       0.00047939      -0.02700319
S       -0.07900917       3.68063101      15.02996958        0       1.00000000      -0.00171503      -0.00172528      -0.00032150      -0.00435078
S        3.26567006       3.74803174      15.12435617        0       1.00000000       0.00212574      -0.00016562       0.00047920      -0.02700320