ASE database

ID Formula Number of atoms Maximum stress Maximum force Calculator gap Charge
31 BC58N 60 0.000 0.009 unknown 0.590 0.000
30 BC58N 60 0.000 0.008 unknown 0.700 0.000
29 BC58N 60 0.000 0.006 unknown 0.615 0.000
28 BC58N 60 0.000 0.006 unknown 0.599 0.000
27 BC58N 60 0.000 0.009 unknown 0.585 0.000
26 BC58N 60 0.000 0.009 unknown 0.724 0.000
25 BC58N 60 0.000 0.009 unknown 0.610 0.000
24 BC58N 60 0.000 0.008 unknown 0.925 0.000
23 BC58N 60 0.000 0.008 unknown 0.587 0.000
22 BC58N 60 0.000 0.008 unknown 0.695 0.000
21 BC58N 60 0.000 0.009 unknown 0.749 0.000
20 BC58N 60 0.000 0.007 unknown 0.634 0.000
19 BC58N 60 0.000 0.007 unknown 0.739 0.000
18 BC58N 60 0.000 0.009 unknown 0.751 0.000
17 BC58N 60 0.000 0.009 unknown 1.030 0.000
16 BC58N 60 0.000 0.007 unknown 0.877 0.000
15 BC58N 60 0.000 0.008 unknown 0.602 0.000
14 BC58N 60 0.000 0.009 unknown 0.875 0.000
13 BC58N 60 0.000 0.009 unknown 0.848 0.000
12 BC58N 60 0.000 0.009 unknown 0.697 0.000
11 BC58N 60 0.000 0.010 unknown 0.744 0.000
10 BC58N 60 0.000 0.009 unknown 0.962 0.000
9 BC58N 60 0.000 0.008 unknown 0.863 0.000
8 BC58N 60 0.000 0.009 unknown 0.973 0.000
7 BC58N 60 0.000 0.009 unknown 0.903 0.000
6 BC58N 60 0.000 0.009 unknown 0.962 0.000
5 BC58N 60 0.000 0.008 unknown 1.122 0.000
4 BC58N 60 0.000 0.009 unknown 1.464 0.000
3 BC58N 60 0.000 0.008 unknown 1.109 0.000
2 BC58N 60 0.000 0.009 unknown 1.353 0.000
1 BC58N 60 0.000 0.008 unknown 1.145 0.000