12
Lattice="6.777211781599622 0.06193818614028238 0.0 -3.334965843931547 5.777485873361072 0.0 1.8921404198130294e-16 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-82.40743133231359 stress="-2.9791905363677413e-05 5.298920066856151e-06 1.698417243872627e-22 5.298920066856151e-06 -8.87400323809719e-06 -3.020880039215342e-23 1.698417243872627e-22 -3.020880039215342e-23 2.1554632357986203e-05" dipole="10.888202074836117 -6.183491404531464 1.8374167237465747e-13" magmom=0.0 free_energy=-82.43272975204131 pbc="T T F"
Mo       0.04787116       5.80513081      16.59500000       0.00000000      -0.00192670      -0.00244074       0.00000000       0.00000000
Hf       3.41932212       5.82619512      16.59500000       0.00000000      -0.00219562      -0.00274441       0.00000000       0.00000000
Mo       1.71535408       2.91638787      16.59500000       0.00000000      -0.00192672      -0.00244070       0.00000000       0.00000000
Hf       5.08680504       2.93745219      16.59500000       0.00000000      -0.00219560      -0.00274440       0.00000000       0.00000000
S        1.78657054       1.03167118      18.13290047       0.00000000       0.00161849       0.00191400       0.00206242       0.00000000
S        5.02287410       0.97469512      18.18011098       0.00000000       0.00036900       0.00063598       0.00315311       0.00000000
S        0.11908762       3.92041412      18.13290047       0.00000000       0.00161848       0.00191400       0.00206240       0.00000000
S        3.35539118       3.86343805      18.18011098       0.00000000       0.00036900       0.00063597       0.00315311       0.00000000
S        1.78657054       1.03167118      15.05709953       0.00000000       0.00161849       0.00191400      -0.00206242       0.00000000
S        5.02287410       0.97469512      15.00988902       0.00000000       0.00036900       0.00063598      -0.00315311       0.00000000
S        0.11908762       3.92041412      15.05709953       0.00000000       0.00161848       0.00191400      -0.00206240       0.00000000
S        3.35539118       3.86343805      15.00988902       0.00000000       0.00036900       0.00063597      -0.00315311       0.00000000