ASE database

Displaying rows 351-375 out of 414
Formula ✕ Maximum force ✕ perms_num ✕ PBC ✕ Number of atoms ✕ Energy ✕ Maximum stress ✕ Calculator ✕ Charge ✕ Mass ✕ Age ✕
C60H24 0.010 6 TTT 84 -607.766 0.000 vasp 0.000 744.852 6y
C60H24 0.090 6 TTT 84 -604.622 0.000 vasp 0.000 744.852 6y
C60H24 0.094 1 TTT 84 -609.753 0.000 vasp 0.000 744.852 6y
C60H24 0.015 6 TTT 84 -606.873 0.000 vasp 0.000 744.852 6y
C60H24 0.259 6 TTT 84 -600.788 0.000 vasp 0.000 744.852 6y
C60H24 0.183 6 TTT 84 -601.061 0.000 vasp 0.000 744.852 6y
C60H24 0.013 6 TTT 84 -607.804 0.000 vasp 0.000 744.852 6y
C60H24 0.207 2 TTT 84 -604.691 0.000 vasp 0.000 744.852 6y
C60H24 0.180 1 TTT 84 -607.130 0.000 vasp 0.000 744.852 6y
C60H24 0.072 2 TTT 84 -606.809 0.000 vasp 0.000 744.852 6y
C60H24 0.015 6 TTT 84 -605.172 0.000 vasp 0.000 744.852 6y
C60H24 0.016 6 TTT 84 -619.681 0.000 vasp 0.000 744.852 6y
C60H24 0.019 6 TTT 84 -618.890 0.000 vasp 0.000 744.852 6y
C60H24 0.021 6 TTT 84 -618.080 0.000 vasp 0.000 744.852 6y
C60H24 0.033 6 TTT 84 -618.923 0.000 vasp 0.000 744.852 6y
C60H24 0.017 6 TTT 84 -618.820 0.000 vasp 0.000 744.852 6y
C60H24 0.020 6 TTT 84 -618.175 0.000 vasp 0.000 744.852 6y
C60H24 0.031 6 TTT 84 -615.016 0.000 vasp 0.000 744.852 6y
C60H24 0.011 6 TTT 84 -610.618 0.000 vasp 0.000 744.852 6y
C60H24 0.014 6 TTT 84 -610.667 0.000 vasp 0.000 744.852 6y
C60H24 0.011 6 TTT 84 -608.266 0.000 vasp 0.000 744.852 6y
C60H24 0.009 6 TTT 84 -621.275 0.000 vasp 0.000 744.852 6y
C60H24 0.006 24 TTT 84 -612.210 0.000 vasp 0.000 744.852 6y
C60H24 0.016 6 TTT 84 -611.519 0.000 vasp 0.000 744.852 6y
C60H24 0.009 6 TTT 84 -619.229 0.000 vasp 0.000 744.852 6y