ASE database

ID Formula Charge Mass Maximum force Maximum stress Volume
1 C60H24 0.000 744.852 0.074 0.000 7652.244
2 C60H24 0.000 744.852 0.411 0.000 5086.352
3 C60H24 0.000 744.852 0.940 0.000 5099.068
4 C60H24 0.000 744.852 0.807 0.001 4496.830
5 C60H24 0.000 744.852 0.273 0.000 7807.719
6 C60H24 0.000 744.852 0.991 0.004 4132.325
7 C60H24 0.000 744.852 0.497 0.000 6310.179
8 C60H24 0.000 744.852 10.605 0.304 1365.100
9 C60H24 0.000 744.852 0.029 0.000 7815.418
10 C60H24 0.000 744.852 0.805 0.000 5994.587
11 C60H24 0.000 744.852 0.009 0.000 8000.000
12 C60H24 0.000 744.852 0.099 0.000 7380.108
13 C60H24 0.000 744.852 0.787 0.001 4421.837
14 C60H24 0.000 744.852 0.581 0.003 5343.978
15 C60H24 0.000 744.852 0.420 0.001 5115.069
16 C60H24 0.000 744.852 14.369 0.266 1456.903
17 C60H24 0.000 744.852 0.564 0.001 6363.060
18 C60H24 0.000 744.852 0.009 0.000 8000.000
19 C60H24 0.000 744.852 10.655 0.279 1435.733
20 C60H24 0.000 744.852 0.552 0.000 4242.784
21 C60H24 0.000 744.852 0.764 0.000 4819.303
22 C60H24 0.000 744.852 0.290 0.000 7132.046
23 C60H24 0.000 744.852 0.473 0.002 4067.095
24 C60H24 0.000 744.852 0.268 0.000 7466.286
25 C60H24 0.000 744.852 0.669 0.001 6167.320