12
Lattice="6.6437629636233035 0.006032823759097738 0.0 -3.3166748187835315 5.744431826910095 0.0 -4.295617567229964e-17 6.376628496217217e-19 33.19" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-77.59132519660298 stress="1.6181288957853592e-05 2.911018917324207e-07 -2.9101949225652858e-05 2.911018917324207e-07 3.1534421578086656e-05 -3.908257522331754e-05 -2.9101949225652858e-05 -3.908257522331754e-05 0.00014021759361064536" dipole="-1.2393735666945192e-12 8.330786704180077e-13 -5.362976332792933e-14" magmom=10.135100004134504 free_energy=-77.68614399275768 pbc="T T F"
Cr       0.00520666       5.74744824      16.59500000        2       1.00000000       0.00000000       0.00000000       0.00000000       2.43187167
Mn       3.32708814       5.75046465      16.59500000        1       1.00000000       0.00000000       0.00000000       0.00000000       2.92718585
Cr       1.66354407       2.87523233      16.59500000        2       1.00000000       0.00000000       0.00000000       0.00000000       2.43159478
Mn       4.98542555       2.87824874      16.59500000        1       1.00000000       0.00000000       0.00000000       0.00000000       2.92718763
S        1.64409581       0.94890766      17.95930776        0       1.00000000       0.00307519       0.00186657       0.00356014      -0.10127943
S        5.00210458       0.97274689      17.95051005        0       1.00000000       0.00365085       0.00285502       0.00128104      -0.07901318
S       -0.01418751       3.82102736      17.95931353        0       1.00000000       0.00257340       0.00274769       0.00351203      -0.10128013
S        3.34371074       3.84493088      17.95043101        0       1.00000000       0.00415906       0.00313898       0.00200621      -0.07899283
S       -0.01662259       1.90553377      15.23956899        0       1.00000000      -0.00415906      -0.00313898      -0.00200621      -0.07899283
S        3.34127566       1.92943729      15.23068647        0       1.00000000      -0.00257340      -0.00274769      -0.00351203      -0.10128013
S       -1.67501643       4.77771776      15.23948995        0       1.00000000      -0.00365085      -0.00285502      -0.00128104      -0.07901318
S        1.68299234       4.80155700      15.23069224        0       1.00000000      -0.00307519      -0.00186657      -0.00356014      -0.10127943