ASE database

ID Formula Charge Magnetic moment slab_E atom_E Maximum force
176 Au45Si 0.000 0.000 -138.685 -0.830 0.010
177 Au45P 0.000 -0.000 -138.685 -1.890 0.008
178 Au45S 0.000 -0.000 -138.685 -0.945 0.010
179 Au45Cl 0.000 0.000 -138.685 -0.243 0.009
180 Au45Ar 0.000 0.000 -138.685 -0.025 0.008
181 Au45H 0.000 0.000 -138.685 -1.117 0.009
182 Au45He 0.000 -0.000 -138.685 0.002 0.010
183 Au45Li 0.000 0.000 -138.685 -0.299 0.009
184 Au45Be 0.000 0.000 -138.685 -0.039 0.008
185 Au45B 0.000 -0.000 -138.685 -0.349 0.003
186 Au45C 0.000 0.001 -138.685 -1.248 0.008
187 Au45N 0.000 -0.000 -138.685 -3.124 0.007
188 Au45O 0.000 0.000 -138.685 -1.533 0.010
189 Au45F 0.000 -0.000 -138.685 -0.424 0.007
190 Au45Ne 0.000 -0.000 -138.685 -0.013 0.007
191 Au45Na 0.000 0.000 -138.685 -0.225 0.006
192 Au45Mg 0.000 0.000 -138.685 -0.004 0.008
193 AlAu45 0.000 0.000 -138.685 -0.295 0.007
194 Au45Si 0.000 0.000 -138.685 -0.830 0.010
195 Au45P 0.000 -0.000 -138.685 -1.888 0.007
196 Au45S 0.000 0.000 -138.685 -0.945 0.008
197 Au45Cl 0.000 -0.000 -138.685 -0.243 0.008
198 Au45Ar 0.000 -0.000 -138.685 -0.025 0.009
199 Ag54H 0.000 -0.000 -138.956 -1.117 0.007
200 Ag54He 0.000 0.000 -138.956 0.002 0.010