9
Lattice="0.0 0.0 3.477072 4.852452 4.852452 -1.738536 -4.852452 4.852452 1.738536" Properties=species:S:1:pos:R:3:forces:R:3 energy=-56.93907538244417 stress="-0.005229146558806583 1.6946642727652386e-06 -4.081783809662793e-05 1.6946642727652386e-06 -0.005229317122555075 -1.5207018625314529e-05 -4.081783809662793e-05 -1.5207018625314529e-05 -0.005652847718862482" pbc="T T T"
Se       0.55416000       2.64736000       0.00000000       0.00395982       0.02846573       0.00000134
Se       2.20510000       5.40661000       1.73854000      -0.02860979       0.00397044       0.00091193
Se      -2.20510000       4.29829000       1.73854000       0.02858873      -0.00392347      -0.00094255
Se      -0.55416000       7.05755000       3.47707000      -0.00397532      -0.02850625       0.00002935
Ti       0.00000000       0.00000000       0.00000000       0.00001565       0.00001956       0.00001009
Ti       2.97597000       3.60782000      -0.00000000      -0.02969752      -0.03164432       0.00268814
Ti      -1.24464000       1.87648000       1.73854000      -0.03170462       0.03001185       0.00108889
Ti       1.24464000       7.82842000       1.73854000       0.03171940      -0.02998470      -0.00113862
Ti      -2.97597000       6.09709000       3.47707000       0.02970354       0.03159109      -0.00264855