ASE database

Displaying rows 51-75 out of 594
Formula ✕ Dipole_val ✕ Username ✕ PBC ✕ Maximum force ✕ Calculator ✕ plane_index ✕ Magnetic moment ✕
Au54P 0.133 hecc TTT 0.004 vasp 100 -0.002
Au54S 1.591 hecc TTT 0.009 vasp 100 -0.000
Au54Cl 2.287 hecc TTT 0.008 vasp 100 -0.000
Au54Ar -0.102 hecc TTT 0.005 vasp 100 0.000
Au72H -0.181 hecc TTT 0.010 vasp 110 0.000
Au72He -0.016 hecc TTT 0.008 vasp 110 0.000
Au72Li -1.996 hecc TTT 0.010 vasp 110 -0.000
Au72Be -0.158 hecc TTT 0.007 vasp 110 0.000
Au72B 0.170 hecc TTT 0.009 vasp 110 0.000
Au72C 0.284 hecc TTT 0.009 vasp 110 -0.000
Au72N 0.438 hecc TTT 0.007 vasp 110 0.000
Au72O 0.578 hecc TTT 0.008 vasp 110 -0.000
Au72F 1.101 hecc TTT 0.010 vasp 110 -0.000
Au72Ne -0.007 hecc TTT 0.008 vasp 110 0.000
Au72Na -3.683 hecc TTT 0.006 vasp 110 0.000
Au72Mg -1.984 hecc TTT 0.005 vasp 110 -0.000
AlAu72 -0.572 hecc TTT 0.005 vasp 110 -0.000
Au72Si -0.022 hecc TTT 0.007 vasp 110 0.000
Au72P 0.189 hecc TTT 0.009 vasp 110 -0.000
Au72S 0.303 hecc TTT 0.005 vasp 110 0.000
Au72Cl 1.191 hecc TTT 0.010 vasp 110 0.000
Au72Ar -0.072 hecc TTT 0.007 vasp 110 0.000
Au72H -0.028 hecc TTT 0.009 vasp 110 0.000
Au72He -0.021 hecc TTT 0.010 vasp 110 -0.000
Au72Li -2.222 hecc TTT 0.010 vasp 110 0.000