12
Lattice="6.873182278950046 -0.08488098850856378 0.0 -3.5101002375863546 6.080023697547828 0.0 -4.179344256268935e-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=-78.87010418782818 stress="9.192291635730132e-06 -1.897023173248135e-05 -4.201805545156152e-05 -1.897023173248135e-05 4.635667397682651e-05 -3.632128953629635e-05 -4.201805545156152e-05 -3.632128953629635e-05 8.722002704416339e-05" dipole="1.4804732816869038e-13 -3.275051386673384e-13 -1.0612479143568558e-13" magmom=4.2287032404075635 free_energy=-78.88774955555337 pbc="T T F"
Cr      -0.07350910       6.03758320      16.59500000        2       1.00000000       0.00000000       0.00000000       0.00000000       2.38858645
Hf       3.36308204       5.99514271      16.59500000        1       1.00000000       0.00000000       0.00000000       0.00000000       0.03300213
Cr       1.68154102       2.99757135      16.59500000        2       1.00000000       0.00000000       0.00000000       0.00000000       2.38858645
Hf       5.11813216       2.95513086      16.59500000        1       1.00000000       0.00000000       0.00000000       0.00000000       0.03300213
S        1.81624156       1.04845594      17.98921033        0       1.00000000       0.00256814       0.00194364      -0.00256917      -0.09444172
S        5.07478798       0.90335214      18.07722419        0       1.00000000       0.00761857       0.00496242       0.00115155      -0.06052220
S        0.06119144       4.08846779      17.98921033        0       1.00000000       0.00256813       0.00194364      -0.00256917      -0.09444172
S        3.31973787       3.94336399      18.07722419        0       1.00000000       0.00761857       0.00496242       0.00115155      -0.06052220
S        0.04334418       2.05177872      15.11277581        0       1.00000000      -0.00761857      -0.00496242      -0.00115155      -0.06052220
S        3.30189060       1.90667492      15.20078967        0       1.00000000      -0.00256813      -0.00194364       0.00256917      -0.09444172
S       -1.71170594       5.09179057      15.11277581        0       1.00000000      -0.00761857      -0.00496242      -0.00115155      -0.06052220
S        1.54684048       4.94668676      15.20078967        0       1.00000000      -0.00256814      -0.00194364       0.00256917      -0.09444172