8
Lattice="11.314871 0.0 0.0 0.0 4.025052 0.0 0.0 0.0 4.3729" Properties=species:S:1:pos:R:3:forces:R:3 energy=-36.19732529242341 stress="-0.0010825567422821916 -1.7791229221777893e-08 -2.361814918406196e-07 -1.7791229221777893e-08 -0.0012254582394474807 -8.566187385195107e-11 -2.361814918406196e-07 -8.566187385195107e-11 -0.0014177679482962463" dipole="-7.997073261437664e-06 -3.748528951186915e-05 5.730416092821675e-13" pbc="T T T"
S        3.97253000       1.00626000       0.09107000      -0.03151917       0.00001591      -0.05083638
S        9.62997000       1.00626000       2.09538000      -0.03027258       0.00001595       0.05080130
S        1.68490000       3.01879000       2.27752000       0.03027258      -0.00001595      -0.05080130
S        7.34234000       3.01879000       4.28183000       0.03151917      -0.00001591       0.05083638
Sn       1.34538000       1.00626000       0.51896000       0.09588667       0.00000659       0.06366270
Sn       7.00282000       1.00626000       1.66749000       0.09760428       0.00000661      -0.06360126
Sn       4.31205000       3.01879000       2.70541000      -0.09760428      -0.00000661       0.06360126
Sn       9.96949000       3.01879000       3.85394000      -0.09588667      -0.00000659      -0.06366270