ASE database

Displaying rows 251-275 out of 414
Formula ✕ Maximum force ✕ perms_num ✕ PBC ✕ Number of atoms ✕ Energy ✕ Maximum stress ✕ Calculator ✕ Charge ✕ Mass ✕ Age ✕ Volume ✕
C60H24 0.012 6 TTT 84 -617.351 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.015 6 TTT 84 -619.833 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.014 6 TTT 84 -619.891 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.013 6 TTT 84 -620.445 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.031 6 TTT 84 -618.983 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.028 6 TTT 84 -621.875 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.014 6 TTT 84 -620.011 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.009 6 TTT 84 -620.065 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.010 6 TTT 84 -621.730 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.016 6 TTT 84 -617.941 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.020 6 TTT 84 -621.255 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.021 6 TTT 84 -621.015 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.019 6 TTT 84 -615.426 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.026 6 TTT 84 -619.964 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.008 6 TTT 84 -621.426 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.021 6 TTT 84 -619.785 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.027 6 TTT 84 -619.964 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.015 6 TTT 84 -620.712 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.011 6 TTT 84 -621.809 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.022 6 TTT 84 -621.199 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.011 6 TTT 84 -619.407 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.015 12 TTT 84 -623.406 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.176 2 TTT 84 -614.230 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.011 6 TTT 84 -615.405 0.000 vasp 0.000 744.852 6y 8000.000
C60H24 0.019 6 TTT 84 -613.241 0.000 vasp 0.000 744.852 6y 8000.000