ASE database

Displaying rows 326-350 out of 414
Formula ✕ Maximum force ✕ perms_num ✕ PBC ✕ Number of atoms ✕ Energy ✕ Maximum stress ✕ Calculator ✕ Charge ✕ Mass ✕
C60H24 0.012 6 TTT 84 -620.113 0.000 vasp 0.000 744.852
C60H24 0.342 2 TTT 84 -611.381 0.000 vasp 0.000 744.852
C60H24 0.015 6 TTT 84 -620.181 0.000 vasp 0.000 744.852
C60H24 0.010 6 TTT 84 -620.128 0.000 vasp 0.000 744.852
C60H24 0.134 1 TTT 84 -611.486 0.000 vasp 0.000 744.852
C60H24 0.174 2 TTT 84 -611.495 0.000 vasp 0.000 744.852
C60H24 0.162 1 TTT 84 -609.883 0.000 vasp 0.000 744.852
C60H24 0.029 2 TTT 84 -607.330 0.000 vasp 0.000 744.852
C60H24 0.018 6 TTT 84 -604.947 0.000 vasp 0.000 744.852
C60H24 0.026 6 TTT 84 -604.968 0.000 vasp 0.000 744.852
C60H24 0.337 1 TTT 84 -610.643 0.000 vasp 0.000 744.852
C60H24 0.015 2 TTT 84 -607.706 0.000 vasp 0.000 744.852
C60H24 0.064 2 TTT 84 -607.385 0.000 vasp 0.000 744.852
C60H24 0.241 1 TTT 84 -610.450 0.001 vasp 0.000 744.852
C60H24 0.023 6 TTT 84 -604.921 0.000 vasp 0.000 744.852
C60H24 0.014 6 TTT 84 -608.732 0.000 vasp 0.000 744.852
C60H24 0.014 6 TTT 84 -601.888 0.000 vasp 0.000 744.852
C60H24 0.023 6 TTT 84 -602.531 0.000 vasp 0.000 744.852
C60H24 0.109 6 TTT 84 -607.881 0.000 vasp 0.000 744.852
C60H24 0.080 6 TTT 84 -607.994 0.000 vasp 0.000 744.852
C60H24 0.222 2 TTT 84 -605.987 0.001 vasp 0.000 744.852
C60H24 0.068 5 TTT 84 -605.320 0.000 vasp 0.000 744.852
C60H24 0.035 5 TTT 84 -609.333 0.000 vasp 0.000 744.852
C60H24 0.014 6 TTT 84 -607.938 0.000 vasp 0.000 744.852
C60H24 0.194 1 TTT 84 -610.092 0.000 vasp 0.000 744.852