ASE database

ID Formula Username Maximum stress Maximum force PBC distance str_E Charge
101 Au72Na hecc 0.014 0.009 TTT 2.409 -220.823 0.000
102 Au72Mg hecc 0.012 0.008 TTT 1.938 -220.273 0.000
103 AlAu72 hecc 0.012 0.007 TTT 1.701 -222.069 0.000
104 Au72Si hecc 0.012 0.006 TTT 1.560 -223.274 0.000
105 Au72P hecc 0.013 0.009 TTT 1.549 -223.458 0.000
106 Au72S hecc 0.013 0.007 TTT 1.636 -223.028 0.000
107 Au72Cl hecc 0.013 0.009 TTT 1.936 -221.679 0.000
108 Au72Ar hecc 0.013 0.007 TTT 3.439 -218.551 0.000
109 Au72H hecc 0.013 0.006 TTT 1.599 -221.776 0.000
110 Au72He hecc 0.013 0.008 TTT 3.610 -218.530 0.000
111 Au72Li hecc 0.014 0.008 TTT 2.237 -221.011 0.000
112 Au72Be hecc 0.013 0.006 TTT 2.078 -220.240 0.000
113 Au72B hecc 0.013 0.005 TTT 1.927 -221.920 0.000
114 Au72C hecc 0.013 0.006 TTT 1.835 -222.605 0.000
115 Au72N hecc 0.013 0.008 TTT 1.836 -222.623 0.000
116 Au72O hecc 0.013 0.008 TTT 1.889 -222.603 0.000
117 Au72F hecc 0.012 0.007 TTT 2.038 -222.249 0.000
118 Au72Ne hecc 0.013 0.009 TTT 3.629 -218.546 0.000
119 Au72Na hecc 0.014 0.009 TTT 2.544 -220.649 0.000
120 Au72Mg hecc 0.013 0.009 TTT 2.384 -219.792 0.000
121 AlAu72 hecc 0.014 0.010 TTT 2.395 -221.476 0.000
122 Au72Si hecc 0.014 0.006 TTT 2.136 -222.175 0.000
123 Au72P hecc 0.013 0.034 TTT 2.139 -222.119 0.000
124 Au72S hecc 0.013 0.010 TTT 2.212 -221.946 0.000
125 Au72Cl hecc 0.012 0.006 TTT 2.331 -221.439 0.000