12
Lattice="6.5971628471390025 -0.0009034633829494374 0.0 -3.2993638458718815 5.7147904610298275 0.0 -1.2870862965414336e-16 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-79.79388974467061 stress="2.9055657725243307e-05 -2.2483281126352247e-05 -4.8776671490337525e-05 -2.2483281126352247e-05 5.804767648364476e-05 -2.8843949900397982e-05 -4.8776671490337525e-05 -2.8843949900397982e-05 0.00010655339051442049" dipole="2.23150676711876e-13 -2.685224539766847e-13 -1.815178491168177e-13" magmom=0.0 free_energy=-79.83044771403993 pbc="T T F"
Ti      -0.00078242       5.71433873      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Mo       3.29779900       5.71388700      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Ti       1.64889950       2.85694350      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Mo       4.94748092       2.85649177      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
S        1.65509483       0.95559042      18.09181326       0.00000000       0.00535152       0.00313256      -0.00157401       0.00000000
S        4.94342647       0.94922090      18.10880204       0.00000000       0.00490808       0.00293938       0.00266336       0.00000000
S        0.00541290       3.81298565      18.09181326       0.00000000       0.00535154       0.00313257      -0.00157395       0.00000000
S        3.29374454       3.80661613      18.10880203       0.00000000       0.00490810       0.00293934       0.00266337       0.00000000
S        0.00405446       1.90727087      15.08119797       0.00000000      -0.00490810      -0.00293934      -0.00266337       0.00000000
S        3.29238610       1.90090135      15.09818674       0.00000000      -0.00535154      -0.00313257       0.00157395       0.00000000
S       -1.64562747       4.76466610      15.08119796       0.00000000      -0.00490808      -0.00293938      -0.00266336       0.00000000
S        1.64270417       4.75829658      15.09818674       0.00000000      -0.00535152      -0.00313256       0.00157401       0.00000000