6
Lattice="-1.759162 -3.046928 0.002571 1.761264 -3.046302 0.003005 -0.905238 1.005432 18.211939" Properties=species:S:1:pos:R:3:forces:R:3 energy=-34.035726880420825 stress="-0.004387086922826073 -7.473477553282914e-05 0.00011821429104050359 -7.473477553282914e-05 -0.004462321768541459 0.00018457999922637431 0.00011821429104050359 0.00018457999922637431 -0.0037495781214440965" pbc="T T T"
Se      -0.87813000      -3.55242000       1.53592000      -0.00033617       0.00458909       0.01063302
Se       0.88256000      -2.53010000       4.64024000      -0.00746867      -0.00742592       0.11351785
Se      -1.78570000      -2.55769000      13.57727000       0.00746840       0.00739400      -0.11350858
Se      -0.02501000      -1.53538000      16.68160000       0.00033608      -0.00456917      -0.01070635
Ti      -0.88141000      -1.51938000       3.08522000       0.00760464       0.00295716      -0.02737335
Ti      -0.02173000      -3.56842000      15.13229000      -0.00760440      -0.00294513       0.02742186