12
Lattice="6.600310308049854 -0.009294762116601863 0.0 -3.3082046547712802 5.722971346746728 0.0 7.403616793569208e-17 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-84.94036457007371 stress="0.0001604601003649077 -3.410198757144448e-05 -3.567874147251275e-05 -3.410198757144448e-05 -4.391789102911664e-05 4.2796647759002275e-05 -3.567874147251275e-05 4.2796647759002275e-05 5.279140673489661e-05" dipole="1.7156587294648994e-13 -1.2788765826856479e-14 6.010949163478272e-14" magmom=0.0 free_energy=-84.96440805911355 pbc="T T F"
Ta      -0.00804950       5.71832397      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Mo       3.29210565       5.71367658      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Ta       1.64605283       2.85683829      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Mo       4.94620798       2.85219091      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
S        1.63985438       0.94563652      18.15372910       0.00000000       0.00551402      -0.00336499      -0.00305205       0.00000000
S        4.96869851       0.95753334      18.13550949       0.00000000       0.00170982      -0.00527596       0.00224895       0.00000000
S       -0.01424794       3.80712219      18.15372911       0.00000000       0.00551403      -0.00336498      -0.00305204       0.00000000
S        3.31459618       3.81901901      18.13550948       0.00000000       0.00170983      -0.00527594       0.00224897       0.00000000
S       -0.02249053       1.89465757      15.05449052       0.00000000      -0.00170983       0.00527594      -0.00224897       0.00000000
S        3.30635360       1.90655439      15.03627089       0.00000000      -0.00551403       0.00336498       0.00305204       0.00000000
S       -1.67659285       4.75614325      15.05449051       0.00000000      -0.00170982       0.00527596      -0.00224895       0.00000000
S        1.65225127       4.76804006      15.03627090       0.00000000      -0.00551402       0.00336499       0.00305205       0.00000000