20 Lattice="8.213973 1.939971 -0.000386 0.776065 3.987792 -0.000708 -0.000583 -0.001852 15.019962" Properties=species:S:1:pos:R:3 energy=-2192.14477626 pbc="T T T" Bi 6.25768000 2.50203500 6.42212400 Bi 2.15061600 1.53361200 1.08743500 Bi 2.73177400 3.42387500 8.59674300 Bi 6.83883800 4.39229800 13.93143200 Ag 3.48743500 1.54465300 11.57845200 Ag -0.62068700 0.57099600 10.95025500 Ag 5.50201900 4.38125800 3.44041600 Ag 9.61014100 5.35491400 4.06861200 S 8.63957700 3.69063900 8.56008900 S 4.53278900 2.71962200 13.96830400 S 0.34987800 2.23527100 6.45877800 S 4.45666500 3.20628800 1.05056300 S 8.05184600 1.95549900 1.05853100 S 3.94517500 0.98411700 6.45002400 S 0.93760800 3.97041100 13.96033600 S 5.04427900 4.94179300 8.56884400 S 6.49713800 2.15222000 3.91039200 S 2.39096700 1.18492900 3.59960700 S 2.49231600 3.77369000 11.10847500 S 6.59848700 4.74098100 11.41926000