12
Lattice="6.5603485199056015 0.05175307209036624 0.0 -3.235354781283914 5.603805113675644 0.0 -5.771176590166404e-17 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-80.10762756622178 stress="-1.0285626458027884e-05 -2.33165075108205e-05 -1.7884955303841618e-23 -2.33165075108205e-05 1.682485935355782e-05 -4.0543441480076153e-23 -1.7884955303841618e-23 -4.0543441480076153e-23 0.00011810926915530077" dipole="13.86465188903096 -6.910677598416324 -5.002393330016096e-14" magmom=0.0 free_energy=-80.13547898342046 pbc="T T F"
Mo       0.04781492       5.63140946      16.59500000       0.00000000      -0.00625370      -0.00361982       0.00000000       0.00000000
Ti       3.29885113       5.64046371      16.59500000       0.00000000       0.00499945       0.00287956       0.00000000       0.00000000
Mo       1.66549231       2.82950690      16.59500000       0.00000000      -0.00625375      -0.00361979       0.00000000       0.00000000
Ti       4.91652855       2.83856127      16.59500000       0.00000000       0.00499954       0.00287956       0.00000000       0.00000000
S        1.66820343       0.96313749      18.12735712       0.00000000       0.00091433       0.00053355       0.00196472       0.00000000
S        4.91865749       0.97185518      18.13339227       0.00000000      -0.00020855      -0.00011798      -0.00264329       0.00000000
S        0.05052604       3.76504006      18.12735713       0.00000000       0.00091440       0.00053362       0.00196479       0.00000000
S        3.30098010       3.77375773      18.13339229       0.00000000      -0.00020860      -0.00011807      -0.00264308       0.00000000
S        1.66820343       0.96313749      15.06264288       0.00000000       0.00091433       0.00053355      -0.00196472       0.00000000
S        4.91865749       0.97185518      15.05660773       0.00000000      -0.00020855      -0.00011798       0.00264329       0.00000000
S        0.05052604       3.76504006      15.06264287       0.00000000       0.00091440       0.00053362      -0.00196479       0.00000000
S        3.30098010       3.77375773      15.05660771       0.00000000      -0.00020860      -0.00011807       0.00264308       0.00000000