ASE database

ID Formula Maximum force Dipole_val ads_site PBC Magnetic moment Maximum stress
151 Au45N 0.008 0.382 3h TTT -0.000 0.012
152 Au45O 0.005 0.617 3h TTT -0.000 0.011
153 Au45F 0.009 0.954 3h TTT 0.000 0.012
154 Au45Ne 0.009 -0.010 3h TTT 0.000 0.015
155 Au45Na 0.004 -5.173 3h TTT -0.000 0.015
156 Au45Mg 0.007 -3.297 3h TTT 0.000 0.014
157 AlAu45 0.007 -1.309 3h TTT 0.000 0.013
158 Au45Si 0.005 -0.472 3h TTT 0.000 0.013
159 Au45P 0.009 -0.036 3h TTT 0.000 0.012
160 Au45S 0.009 0.254 3h TTT -0.000 0.011
161 Au45Cl 0.006 0.554 3h TTT 0.000 0.012
162 Au45Ar 0.006 -0.097 3h TTT 0.000 0.015
163 Au45H 0.010 -0.072 1b TTT 0.000 0.014
164 Au45He 0.010 -0.019 1b TTT -0.000 0.015
165 Au45Li 0.009 -3.620 1b TTT 0.000 0.015
166 Au45Be 0.010 -0.945 1b TTT 0.000 0.014
167 Au45B 0.008 -0.086 1b TTT 0.000 0.011
168 Au45C 0.008 0.082 1b TTT -0.000 0.012
169 Au45N 0.009 0.380 1b TTT 0.000 0.012
170 Au45O 0.007 0.619 1b TTT -0.000 0.011
171 Au45F 0.009 0.960 1b TTT 0.000 0.012
172 Au45Ne 0.008 -0.009 1b TTT 0.000 0.015
173 Au45Na 0.007 -5.185 1b TTT 0.000 0.015
174 Au45Mg 0.007 -3.233 1b TTT -0.000 0.014
175 AlAu45 0.010 -1.311 1b TTT 0.000 0.013