ASE database

Displaying rows 1-25 out of 46
Maximum force ✕ absorped_atom ✕ Username ✕ index ✕ PBC ✕ absorption_structural_energy ✕ Volume ✕
0.391 N hecc (100) TTT -193.568 1271.601
0.309 N hecc (100) TTT -191.730 1271.601
0.369 N hecc (100) TTT -193.479 1271.601
0.398 F hecc (100) TTT -190.260 1271.601
0.336 F hecc (100) TTT -191.257 1271.601
0.393 F hecc (100) TTT -191.759 1271.601
0.409 O hecc (100) TTT -192.145 1271.601
0.320 O hecc (100) TTT -191.780 1271.601
0.385 O hecc (100) TTT -193.280 1271.601
0.383 B hecc (100) TTT -191.803 1271.601
0.331 B hecc (100) TTT -190.274 1271.601
0.383 B hecc (100) TTT -191.672 1271.601
0.373 C hecc (100) TTT -193.425 1271.601
0.314 C hecc (100) TTT -191.291 1271.601
0.372 C hecc (100) TTT -193.011 1271.601
0.616 N hecc (110) TTT -185.090 1599.670
0.490 N hecc (110) TTT -185.935 1599.670
0.530 N hecc (110) TTT -183.344 1599.670
0.617 N hecc (110) TTT -185.087 1599.670
0.576 F hecc (110) TTT -182.123 1599.670
0.496 F hecc (110) TTT -183.516 1599.670
0.505 F hecc (110) TTT -183.493 1599.670
0.490 F hecc (110) TTT -183.214 1599.670
0.595 O hecc (110) TTT -184.198 1599.670
0.499 O hecc (110) TTT -184.799 1599.670