12
Lattice="6.703301734299492 -0.052692288070987456 0.0 -3.3972837307812744 5.884156893818993 0.0 3.3062020990753066e-16 0.0 33.19" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-77.62232689749725 stress="6.536255120390994e-06 -3.1956650308353563e-06 -6.511039668402203e-23 -3.1956650308353563e-06 9.147003954062035e-06 3.183336226172908e-23 -6.511039668402203e-23 3.183336226172908e-23 6.890335519045828e-05" dipole="14.427454699632214 -6.549071825591579 -2.634472109648384e-13" magmom=4.016974572540187 free_energy=-77.67035249925873 pbc="T T F"
Hf      -0.08055740       5.83766252      16.59500000        1       1.00000000      -0.00559263      -0.00317279       0.00000000       0.10291761
Cr       3.32792034       5.84411047      16.59500000        2       1.00000000       0.00031810       0.00020465       0.00000000       2.07356830
Hf       1.61808512       2.89558292      16.59500000        1       1.00000000      -0.00560642      -0.00314881       0.00000000       0.10291763
Cr       5.02656126       2.90203151      16.59500000        2       1.00000000       0.00042895       0.00026832       0.00000000       2.07206855
S        1.57456604       0.90904874      18.16603437        0       1.00000000       0.00046473       0.00023642       0.00571340      -0.04318291
S        5.12000696       0.99460773      18.06079888        0       1.00000000       0.00135176       0.00055969      -0.00254659      -0.09203521
S       -0.12408532       3.85112171      18.16603073        0       1.00000000       0.00051732       0.00026700       0.00570620      -0.04317604
S        3.42137467       3.93666952      18.06079888        0       1.00000000       0.00117718       0.00086272      -0.00254678      -0.09203527
S        1.57456604       0.90904874      15.02396563        0       1.00000000       0.00046473       0.00023642      -0.00571340      -0.04318291
S        5.12000696       0.99460773      15.12920112        0       1.00000000       0.00135176       0.00055969       0.00254659      -0.09203521
S       -0.12408532       3.85112171      15.02396927        0       1.00000000       0.00051732       0.00026700      -0.00570620      -0.04317604
S        3.42137467       3.93666952      15.12920112        0       1.00000000       0.00117718       0.00086272       0.00254678      -0.09203527