ASE database

ID Formula Username Number of atoms atom_E Dipole_val Mass str_E
76 Au72Be hecc 73 -0.039 -0.299 14190.605 -222.247
77 Au72B hecc 73 -0.349 0.021 14192.403 -224.037
78 Au72C hecc 73 -1.248 0.079 14193.604 -224.356
79 Au72N hecc 73 -3.124 0.957 14195.600 -223.581
80 Au72O hecc 73 -1.533 1.357 14197.592 -223.229
81 Au72F hecc 73 -0.424 1.379 14200.591 -222.245
82 Au72Ne hecc 73 -0.013 -0.009 14201.773 -218.548
83 Au72Na hecc 73 -0.225 -3.991 14204.583 -221.145
84 Au72Mg hecc 73 -0.004 -2.085 14205.898 -220.986
85 AlAu72 hecc 73 -0.295 -0.667 14208.575 -222.861
86 Au72Si hecc 73 -0.830 -0.217 14209.678 -223.955
87 Au72P hecc 73 -1.888 -0.015 14212.567 -223.843
88 Au72S hecc 73 -0.945 0.997 14213.653 -222.907
89 Au72Cl hecc 73 -0.243 1.110 14217.043 -221.497
90 Au72Ar hecc 73 -0.025 -0.110 14221.541 -218.552
91 Au72H hecc 73 -1.117 0.080 14182.601 -221.957
92 Au72He hecc 73 0.002 -0.023 14185.596 -218.530
93 Au72Li hecc 73 -0.299 -4.421 14188.533 -221.258
94 Au72Be hecc 73 -0.039 -1.284 14190.605 -221.998
95 Au72B hecc 73 -0.349 -0.273 14192.403 -224.163
96 Au72C hecc 73 -1.248 0.571 14193.604 -224.114
97 Au72N hecc 73 -3.124 1.173 14195.600 -223.914
98 Au72O hecc 73 -1.533 1.637 14197.592 -223.523
99 Au72F hecc 73 -0.424 1.741 14200.591 -222.402
100 Au72Ne hecc 73 -0.013 -0.015 14201.773 -218.547