ASE database

ID Formula Charge Maximum stress Magnetic moment Energy Maximum force Mass Calculator
101 Au72Na 0.000 0.014 -0.000 -220.823 0.009 14204.583 vasp
102 Au72Mg 0.000 0.012 0.000 -220.273 0.008 14205.898 vasp
103 AlAu72 0.000 0.012 -0.000 -222.069 0.007 14208.575 vasp
104 Au72Si 0.000 0.012 -0.000 -223.274 0.006 14209.678 vasp
105 Au72P 0.000 0.013 -0.003 -223.458 0.009 14212.567 vasp
106 Au72S 0.000 0.013 -0.000 -223.028 0.007 14213.653 vasp
107 Au72Cl 0.000 0.013 -0.000 -221.679 0.009 14217.043 vasp
108 Au72Ar 0.000 0.013 -0.000 -218.551 0.007 14221.541 vasp
109 Au72H 0.000 0.013 0.000 -221.776 0.006 14182.601 vasp
110 Au72He 0.000 0.013 0.000 -218.530 0.008 14185.596 vasp
111 Au72Li 0.000 0.014 -0.000 -221.011 0.008 14188.533 vasp
112 Au72Be 0.000 0.013 -0.004 -220.240 0.006 14190.605 vasp
113 Au72B 0.000 0.013 0.000 -221.920 0.005 14192.403 vasp
114 Au72C 0.000 0.013 0.001 -222.605 0.006 14193.604 vasp
115 Au72N 0.000 0.013 0.000 -222.623 0.008 14195.600 vasp
116 Au72O 0.000 0.013 -0.000 -222.603 0.008 14197.592 vasp
117 Au72F 0.000 0.012 0.000 -222.249 0.007 14200.591 vasp
118 Au72Ne 0.000 0.013 -0.000 -218.546 0.009 14201.773 vasp
119 Au72Na 0.000 0.014 -0.000 -220.649 0.009 14204.583 vasp
120 Au72Mg 0.000 0.013 0.000 -219.792 0.009 14205.898 vasp
121 AlAu72 0.000 0.014 0.000 -221.476 0.010 14208.575 vasp
122 Au72Si 0.000 0.014 -0.000 -222.175 0.006 14209.678 vasp
123 Au72P 0.000 0.013 0.000 -222.119 0.034 14212.567 vasp
124 Au72S 0.000 0.013 -0.000 -221.946 0.010 14213.653 vasp
125 Au72Cl 0.000 0.012 -0.000 -221.439 0.006 14217.043 vasp