12
Lattice="6.5950604349595725 -0.02538654062554543 0.0 -3.3195294005125753 5.748516426714375 0.0 1.5881863904133206e-16 -6.323677172946964e-19 33.19" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-70.36404333637645 stress="-3.8787138560794525e-05 1.4458834270518482e-05 -4.5019144867351944e-05 1.4458834270518482e-05 -5.741040244257479e-05 -3.433585508095224e-05 -4.5019144867351944e-05 -3.433585508095224e-05 5.988970822692939e-05" dipole="-8.166866222053039e-14 -1.2599365369269146e-13 9.955921273908435e-14" magmom=4.3436594189584135 free_energy=-70.46743528664905 pbc="T T F"
Cr      -0.02199918       5.73582316      16.59500000        2       1.00000000       0.00000000       0.00000000       0.00000000       2.34496295
Ni       3.27553103       5.72312989      16.59500000        1       1.00000000       0.00000000       0.00000000       0.00000000       0.12506215
Cr       1.63776552       2.86156494      16.59500000        2       1.00000000       0.00000000       0.00000000       0.00000000       2.34507726
Ni       4.93529573       2.84887167      16.59500000        1       1.00000000       0.00000000       0.00000000       0.00000000       0.12506251
S        1.61202391       0.93027608      17.94092188        0       1.00000000       0.00822846       0.00455632       0.00136128      -0.09631472
S        5.00554418       0.97303004      17.87630146        0       1.00000000       0.00388505       0.00222422       0.00576437      -0.05458617
S       -0.04772990       3.80451762      17.94092236        0       1.00000000       0.00808109       0.00478962       0.00135962      -0.09631482
S        3.34576798       3.84728315      17.87629820        0       1.00000000       0.00404119       0.00229236       0.00583494      -0.05458003
S       -0.07023695       1.87584673      15.31370180        0       1.00000000      -0.00404119      -0.00229236      -0.00583494      -0.05458003
S        3.32326094       1.91861227      15.24907764        0       1.00000000      -0.00808109      -0.00478962      -0.00135962      -0.09631482
S       -1.73001315       4.75009984      15.31369854        0       1.00000000      -0.00388505      -0.00222422      -0.00576437      -0.05458617
S        1.66350712       4.79285381      15.24907812        0       1.00000000      -0.00822846      -0.00455632      -0.00136128      -0.09631472