ASE database

ID Formula Username Charge Age PBC Mass Volume Au_rate Energy Maximum stress Si_rate Calculator
26 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.431 0.714 -50.373 0.001 0.286 vasp
27 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.907 0.714 -50.380 0.001 0.286 vasp
28 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.764 0.714 -50.378 0.000 0.286 vasp
29 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.743 0.714 -50.370 0.000 0.286 vasp
30 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.783 0.714 -50.379 0.001 0.286 vasp
31 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.196 0.714 -50.380 0.000 0.286 vasp
32 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.686 0.714 -50.383 0.000 0.286 vasp
33 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.952 0.714 -50.372 0.001 0.286 vasp
34 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.454 0.714 -50.365 0.001 0.286 vasp
35 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.269 0.714 -50.370 0.001 0.286 vasp
36 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.023 0.714 -50.375 0.001 0.286 vasp
37 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.960 0.714 -50.371 0.001 0.286 vasp
38 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.867 0.714 -50.378 0.001 0.286 vasp
39 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.952 0.714 -50.380 0.000 0.286 vasp
40 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.748 0.714 -50.379 0.001 0.286 vasp
41 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.747 0.714 -50.380 0.001 0.286 vasp
42 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.174 0.714 -50.381 0.000 0.286 vasp
43 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.793 0.714 -50.378 0.001 0.286 vasp
44 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.066 0.714 -50.365 0.001 0.286 vasp
45 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.811 0.714 -50.382 0.001 0.286 vasp
46 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.955 0.714 -50.373 0.001 0.286 vasp
47 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.958 0.714 -50.376 0.001 0.286 vasp
48 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.958 0.714 -50.381 0.001 0.286 vasp
49 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.802 0.714 -50.377 0.001 0.286 vasp
50 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.991 0.714 -50.373 0.001 0.286 vasp