4 Lattice="3.8718482120944984 -1.5719173982797522e-17 0.0 7.262413066917985e-18 3.8730507931828595 0.0 -5.910019906199236e-17 0.0 17.678006279999998" Properties=species:S:1:pos:R:3 energy=-31.082492565790677 pbc="T T F" Nb -0.00000000 -0.00071327 8.83906605 S -0.00000000 1.93785203 10.51125629 Nb 1.93592411 1.93491839 8.83892228 S -0.00000000 1.93668437 7.16684589