12
Lattice="7.0783956071798855 -0.0015550408792758558 0.0 -3.5405396142800876 6.132787976507477 0.0 3.607883088547844e-18 2.1337203731037376e-21 18.105181009973542" Properties=species:S:1:pos:R:3:magmoms:R:1:forces:R:3 magmom=0.0 energy=-68.19717755967429 stress="5.046991838152224e-05 -1.595901483749405e-05 -5.573161411100943e-05 -1.595901483749405e-05 -9.819981159872631e-06 1.3044725093677108e-05 -5.573161411100943e-05 1.3044725093677108e-05 0.0002364034694817931" pbc="T T F"
Ti      -0.04207593       0.06497559       9.05224012       0.00000000       0.00395002      -0.00061330       0.00370438
Ti      -0.04885884       6.06726230       9.05301986       0.00000000       0.00823212      -0.00108892      -0.00337210
Ti       5.31566746       3.06022840       9.05260092       0.00000000      -0.00910493       0.00294288       0.00048626
Ti       1.85154165       3.07048454       9.05248323       0.00000000      -0.00560476      -0.00432215      -0.00079360
Se       1.77028007       1.02048926      10.60089986       0.00000000       0.00158752       0.00382451       0.00066380
Se       5.33325618       1.02645099      10.61084557       0.00000000       0.00589856      -0.00558543      -0.00345005
Se      -0.01642426       4.10744580      10.60987584       0.00000000       0.00579687      -0.00002869      -0.00024406
Se       3.52747764       4.06648767      10.61020852       0.00000000       0.00207436       0.00008026      -0.00070149
Se      -0.01748460       2.02410473       7.49466844       0.00000000       0.00119417       0.00137106       0.00083146
Se       3.53019085       2.06424943       7.49566365       0.00000000      -0.00885218      -0.00067045       0.00070447
Se      -1.74645647       5.10755840       7.49452670       0.00000000       0.00056563       0.00251002       0.00179860
Se       1.77002130       5.10766263       7.50405298       0.00000000      -0.00569597       0.00157956       0.00035405