ASE database

Displaying rows 51-75 out of 414
Formula ✕ Maximum force ✕ perms_num ✕ PBC ✕ Number of atoms ✕ Energy ✕ Maximum stress ✕ Calculator ✕ Charge ✕ Mass ✕
C60H24 0.770 1 TTT 84 -618.917 0.005 vasp 0.000 744.852
C60H24 0.641 1 TTT 84 -616.601 0.001 vasp 0.000 744.852
C60H24 0.770 1 TTT 84 -620.770 0.002 vasp 0.000 744.852
C60H24 0.608 1 TTT 84 -617.658 0.000 vasp 0.000 744.852
C60H24 0.301 1 TTT 84 -614.750 0.000 vasp 0.000 744.852
C60H24 0.787 1 TTT 84 -613.321 0.002 vasp 0.000 744.852
C60H24 0.505 1 TTT 84 -619.258 0.001 vasp 0.000 744.852
C60H24 1.221 1 TTT 84 -618.538 0.009 vasp 0.000 744.852
C60H24 0.219 1 TTT 84 -618.127 0.000 vasp 0.000 744.852
C60H24 0.353 1 TTT 84 -616.007 0.000 vasp 0.000 744.852
C60H24 1.193 1 TTT 84 -615.009 0.001 vasp 0.000 744.852
C60H24 0.035 1 TTT 84 -616.879 0.000 vasp 0.000 744.852
C60H24 0.965 1 TTT 84 -615.817 0.000 vasp 0.000 744.852
C60H24 0.239 1 TTT 84 -614.300 0.000 vasp 0.000 744.852
C60H24 1.387 1 TTT 84 -616.058 0.011 vasp 0.000 744.852
C60H24 0.613 1 TTT 84 -615.529 0.000 vasp 0.000 744.852
C60H24 0.622 1 TTT 84 -614.949 0.000 vasp 0.000 744.852
C60H24 0.566 1 TTT 84 -614.716 0.000 vasp 0.000 744.852
C60H24 0.087 1 TTT 84 -622.116 0.000 vasp 0.000 744.852
C60H24 0.723 1 TTT 84 -619.194 0.001 vasp 0.000 744.852
C60H24 0.883 1 TTT 84 -621.486 0.001 vasp 0.000 744.852
C60H24 1.256 1 TTT 84 -618.450 0.002 vasp 0.000 744.852
C60H24 1.578 1 TTT 84 -617.512 0.001 vasp 0.000 744.852
C60H24 0.429 1 TTT 84 -619.864 0.000 vasp 0.000 744.852
C60H24 1.136 1 TTT 84 -619.124 0.002 vasp 0.000 744.852