ASE database

Displaying rows 1-25 out of 46
Username ✕ Maximum force ✕ Volume ✕ absorped_atom ✕ Mass ✕ index ✕ PBC ✕ absorption_structural_energy ✕ Calculator ✕
hecc 0.391 1271.601 N 17285.869 (100) TTT -193.568 vasp
hecc 0.309 1271.601 N 17285.869 (100) TTT -191.730 vasp
hecc 0.369 1271.601 N 17285.869 (100) TTT -193.479 vasp
hecc 0.398 1271.601 F 17285.869 (100) TTT -190.260 vasp
hecc 0.336 1271.601 F 17285.869 (100) TTT -191.257 vasp
hecc 0.393 1271.601 F 17285.869 (100) TTT -191.759 vasp
hecc 0.409 1271.601 O 17285.869 (100) TTT -192.145 vasp
hecc 0.320 1271.601 O 17285.869 (100) TTT -191.780 vasp
hecc 0.385 1271.601 O 17285.869 (100) TTT -193.280 vasp
hecc 0.383 1271.601 B 17285.869 (100) TTT -191.803 vasp
hecc 0.331 1271.601 B 17285.869 (100) TTT -190.274 vasp
hecc 0.383 1271.601 B 17285.869 (100) TTT -191.672 vasp
hecc 0.373 1271.601 C 17285.869 (100) TTT -193.425 vasp
hecc 0.314 1271.601 C 17285.869 (100) TTT -191.291 vasp
hecc 0.372 1271.601 C 17285.869 (100) TTT -193.011 vasp
hecc 0.616 1599.670 N 17285.869 (110) TTT -185.090 vasp
hecc 0.490 1599.670 N 17285.869 (110) TTT -185.935 vasp
hecc 0.530 1599.670 N 17285.869 (110) TTT -183.344 vasp
hecc 0.617 1599.670 N 17285.869 (110) TTT -185.087 vasp
hecc 0.576 1599.670 F 17285.869 (110) TTT -182.123 vasp
hecc 0.496 1599.670 F 17285.869 (110) TTT -183.516 vasp
hecc 0.505 1599.670 F 17285.869 (110) TTT -183.493 vasp
hecc 0.490 1599.670 F 17285.869 (110) TTT -183.214 vasp
hecc 0.595 1599.670 O 17285.869 (110) TTT -184.198 vasp
hecc 0.499 1599.670 O 17285.869 (110) TTT -184.799 vasp