ASE database

ID Formula PBC Volume Username Maximum force layer_distance dipole_hirf
1 Cu48N TTT 1271.601 hecc 0.391 2.239 24.451
2 Cu48N TTT 1271.601 hecc 0.309 1.705 7.691
3 Cu48N TTT 1271.601 hecc 0.369 1.083 5.776
4 Cu48F TTT 1271.601 hecc 0.398 1.238 4.716
5 Cu48F TTT 1271.601 hecc 0.336 1.842 5.803
6 Cu48F TTT 1271.601 hecc 0.393 1.430 4.541
7 Cu48O TTT 1271.601 hecc 0.409 2.705 18.264
8 Cu48O TTT 1271.601 hecc 0.320 1.726 7.029
9 Cu48O TTT 1271.601 hecc 0.385 1.183 5.507
10 Cu48B TTT 1271.601 hecc 0.383 2.191 34.959
11 Cu48B TTT 1271.601 hecc 0.331 1.835 5.851
12 Cu48B TTT 1271.601 hecc 0.383 0.835 4.611
13 Cu48C TTT 1271.601 hecc 0.373 2.120 32.207
14 Cu48C TTT 1271.601 hecc 0.314 1.740 7.664
15 Cu48C TTT 1271.601 hecc 0.372 0.946 5.266
16 Cu48N TTT 1599.670 hecc 0.616 1.973 19.000
17 Cu48N TTT 1599.670 hecc 0.490 1.416 13.209
18 Cu48N TTT 1599.670 hecc 0.530 1.682 6.049
19 Cu48N TTT 1599.670 hecc 0.617 1.974 19.054
20 Cu48F TTT 1599.670 hecc 0.576 2.379 8.329
21 Cu48F TTT 1599.670 hecc 0.496 1.457 4.555
22 Cu48F TTT 1599.670 hecc 0.505 1.193 3.313
23 Cu48F TTT 1599.670 hecc 0.490 1.825 5.583
24 Cu48O TTT 1599.670 hecc 0.595 2.048 12.667
25 Cu48O TTT 1599.670 hecc 0.499 1.177 5.370