ASE database

ID Formula Username Maximum stress Magnetic moment Dipole_val PBC Maximum force
76 Au72Be hecc 0.013 0.000 -0.299 TTT 0.009
77 Au72B hecc 0.012 0.000 0.021 TTT 0.006
78 Au72C hecc 0.011 0.000 0.079 TTT 0.007
79 Au72N hecc 0.012 0.000 0.957 TTT 0.009
80 Au72O hecc 0.012 -0.000 1.357 TTT 0.010
81 Au72F hecc 0.012 0.000 1.379 TTT 0.009
82 Au72Ne hecc 0.013 0.000 -0.009 TTT 0.007
83 Au72Na hecc 0.014 -0.000 -3.991 TTT 0.004
84 Au72Mg hecc 0.013 -0.000 -2.085 TTT 0.005
85 AlAu72 hecc 0.013 0.000 -0.667 TTT 0.006
86 Au72Si hecc 0.013 -0.000 -0.217 TTT 0.009
87 Au72P hecc 0.012 -0.000 -0.015 TTT 0.007
88 Au72S hecc 0.012 -0.000 0.997 TTT 0.009
89 Au72Cl hecc 0.012 -0.000 1.110 TTT 0.010
90 Au72Ar hecc 0.013 -0.000 -0.110 TTT 0.006
91 Au72H hecc 0.013 0.000 0.080 TTT 0.008
92 Au72He hecc 0.013 0.000 -0.023 TTT 0.009
93 Au72Li hecc 0.014 -0.000 -4.421 TTT 0.009
94 Au72Be hecc 0.012 -0.000 -1.284 TTT 0.006
95 Au72B hecc 0.012 -0.000 -0.273 TTT 0.007
96 Au72C hecc 0.012 -0.000 0.571 TTT 0.009
97 Au72N hecc 0.013 0.000 1.173 TTT 0.010
98 Au72O hecc 0.013 -0.000 1.637 TTT 0.010
99 Au72F hecc 0.013 -0.000 1.741 TTT 0.009
100 Au72Ne hecc 0.013 -0.000 -0.015 TTT 0.007