ASE database

ID Formula Mass str_E Maximum force Dipole_val Username ads_E
76 Au72Be 14190.605 -222.247 0.009 -0.299 hecc -3.681
77 Au72B 14192.403 -224.037 0.006 0.021 hecc -5.161
78 Au72C 14193.604 -224.356 0.007 0.079 hecc -4.581
79 Au72N 14195.600 -223.581 0.009 0.957 hecc -1.930
80 Au72O 14197.592 -223.229 0.010 1.357 hecc -3.169
81 Au72F 14200.591 -222.245 0.009 1.379 hecc -3.294
82 Au72Ne 14201.773 -218.548 0.007 -0.009 hecc -0.009
83 Au72Na 14204.583 -221.145 0.004 -3.991 hecc -2.393
84 Au72Mg 14205.898 -220.986 0.005 -2.085 hecc -2.455
85 AlAu72 14208.575 -222.861 0.006 -0.667 hecc -4.039
86 Au72Si 14209.678 -223.955 0.009 -0.217 hecc -4.598
87 Au72P 14212.567 -223.843 0.007 -0.015 hecc -3.429
88 Au72S 14213.653 -222.907 0.009 0.997 hecc -3.435
89 Au72Cl 14217.043 -221.497 0.010 1.110 hecc -2.727
90 Au72Ar 14221.541 -218.552 0.006 -0.110 hecc 0.000
91 Au72H 14182.601 -221.957 0.008 0.080 hecc -2.313
92 Au72He 14185.596 -218.530 0.009 -0.023 hecc -0.005
93 Au72Li 14188.533 -221.258 0.009 -4.421 hecc -2.432
94 Au72Be 14190.605 -221.998 0.006 -1.284 hecc -3.432
95 Au72B 14192.403 -224.163 0.007 -0.273 hecc -5.288
96 Au72C 14193.604 -224.114 0.009 0.571 hecc -4.339
97 Au72N 14195.600 -223.914 0.010 1.173 hecc -2.263
98 Au72O 14197.592 -223.523 0.010 1.637 hecc -3.463
99 Au72F 14200.591 -222.402 0.009 1.741 hecc -3.451
100 Au72Ne 14201.773 -218.547 0.007 -0.015 hecc -0.007