5
Lattice="3.39510781 1.10737295 0.0 0.73850147 3.49405695 0.0 0.0 0.0 21.36779525" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-29.44913295506357 stress="-9.102121073595692e-05 -3.790410898960221e-06 5.404806791557148e-09 -3.790410898960221e-06 -8.027350202048857e-05 9.692767428699167e-09 5.404806791557148e-09 9.692767428699167e-09 0.000730959970540221" dipole="3.1784083553620133 2.8281632206887575 -5.440090943861785e-07" magmom=1.498884070953231 free_energy=-29.460639276423564 pbc="T T F"
Se       1.09112725       1.29716840      13.86776600       1.00000000       0.00006426       0.00042236      -0.00806210      -0.00953121
Se       1.09112704       1.29716804       7.49997070       1.00000000       0.00006419       0.00042288       0.00876824      -0.00953876
Se       2.46889539       2.83087660      10.68395724       1.00000000       0.00077201       0.00078003      -0.00056749      -0.02475220
Ti       3.84692952       4.36490693      12.38034736       1.00000000      -0.00047102      -0.00081396      -0.00978534       0.59769369
Ti       3.84692924       4.36490664       8.98744682       1.00000000      -0.00047006      -0.00081345       0.00973566       0.59782495