4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=6.252469870038721 stress="-3.020677314485508 -0.25637298347247794 -0.04608156460223599 -0.25637298347247794 -2.254025642637305 0.06224773950156007 -0.04608156460223599 0.06224773950156007 -2.3334123506065034" free_energy=6.252469870038721 pbc="T F T"
Au       0.19019325       0.19877714       0.11574669     -10.85028602     -27.92260219      -5.34889463 
Au       1.63250256       1.60031152       0.21944333      -4.90715832      29.63265307      -4.57325704 
Si       1.35431870       0.13572127       1.48657851       5.55028090     -14.97142734       6.22757830 
Si       2.73387496       1.58501927       1.56559263      10.20716345      13.26137646       3.69457336