ASE database

ID Formula slab_E Mass Maximum force plane_index Calculator
101 Au72Na -218.527 14204.583 0.009 110 vasp
102 Au72Mg -218.527 14205.898 0.008 110 vasp
103 AlAu72 -218.527 14208.575 0.007 110 vasp
104 Au72Si -218.527 14209.678 0.006 110 vasp
105 Au72P -218.527 14212.567 0.009 110 vasp
106 Au72S -218.527 14213.653 0.007 110 vasp
107 Au72Cl -218.527 14217.043 0.009 110 vasp
108 Au72Ar -218.527 14221.541 0.007 110 vasp
109 Au72H -218.527 14182.601 0.006 110 vasp
110 Au72He -218.527 14185.596 0.008 110 vasp
111 Au72Li -218.527 14188.533 0.008 110 vasp
112 Au72Be -218.527 14190.605 0.006 110 vasp
113 Au72B -218.527 14192.403 0.005 110 vasp
114 Au72C -218.527 14193.604 0.006 110 vasp
115 Au72N -218.527 14195.600 0.008 110 vasp
116 Au72O -218.527 14197.592 0.008 110 vasp
117 Au72F -218.527 14200.591 0.007 110 vasp
118 Au72Ne -218.527 14201.773 0.009 110 vasp
119 Au72Na -218.527 14204.583 0.009 110 vasp
120 Au72Mg -218.527 14205.898 0.009 110 vasp
121 AlAu72 -218.527 14208.575 0.010 110 vasp
122 Au72Si -218.527 14209.678 0.006 110 vasp
123 Au72P -218.527 14212.567 0.034 110 vasp
124 Au72S -218.527 14213.653 0.010 110 vasp
125 Au72Cl -218.527 14217.043 0.006 110 vasp