12
Lattice="6.1710815598960105 -0.2502892689793874 3.364810735696972e-16 -2.869091476345264 5.46931386834066 3.551455395820261e-16 2.4527477310973023e-16 -5.1672915667107294e-18 18.55297323466128" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-104.93620625403234 stress="-5.6033103059163224e-05 -1.909591736654559e-05 -2.8383854086437664e-05 -1.909591736654559e-05 -6.411160534639722e-05 2.731776832364248e-05 -2.8383854086437664e-05 2.731776832364248e-05 0.0001832606637457464" dipole="-11.156094322807638 4.300958779782714 0.18941253019446044" magmom=0.64066590620378 free_energy=-104.95680589739953 pbc="T T F"
Nb       0.85640046       4.90357060       8.77429063       1.00000000      -0.00520988      -0.00054851       0.00158070       0.15010691
O        2.44662341       3.89787895       7.80188389       1.00000000      -0.00240067      -0.00424791       0.00095156       0.01022784
Nb      -0.71129826       2.24072905       8.20351599       1.00000000       0.00345455       0.00103342      -0.00224300       0.00046230
O        5.39375330       0.36823491       9.52108367       1.00000000       0.00334821      -0.00340442      -0.00714754       0.01046003
O        3.86167456       1.15096266       7.50030918       1.00000000      -0.00746796       0.00174662       0.00206720      -0.00027190
O        0.72756009       2.99520375       9.51945275       1.00000000      -0.00394517       0.00154544       0.00156875       0.01054426
I        2.30052061       0.33583360      11.05293769       1.00000000       0.00545142      -0.00488483      -0.00080436      -0.00203912
O        4.08702471       2.85870523       9.52002901       1.00000000       0.00053852      -0.00009792      -0.00388872       0.01054996
Nb      -2.05857506       5.02126006       8.77385776       1.00000000       0.00078359       0.00619780       0.00253390       0.15023346
O        0.81390757       1.27438751       7.50012727       1.00000000       0.00233801       0.00413166       0.00513935      -0.00024485
O       -0.63853109       4.04466415       7.50097648       1.00000000       0.00141684      -0.00002454       0.00117796      -0.00023976
Nb       2.37016496       2.01662475       8.77300466       1.00000000       0.00174982      -0.00143855       0.00077028       0.15087079