ASE database

ID Formula Username Charge Age PBC Mass Volume Au_rate Energy Maximum stress Si_rate Calculator
51 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.065 0.714 -50.366 0.000 0.286 vasp
52 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.084 0.714 -50.363 0.001 0.286 vasp
53 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.872 0.714 -50.364 0.000 0.286 vasp
54 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.756 0.714 -50.381 0.001 0.286 vasp
55 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.394 0.714 -50.369 0.001 0.286 vasp
56 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.851 0.714 -50.380 0.001 0.286 vasp
57 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.306 0.714 -50.381 0.001 0.286 vasp
58 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.615 0.714 -50.374 0.000 0.286 vasp
59 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.847 0.714 -50.363 0.001 0.286 vasp
60 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.793 0.714 -50.375 0.001 0.286 vasp
61 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.559 0.714 -50.366 0.001 0.286 vasp
62 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.116 0.714 -50.375 0.001 0.286 vasp
63 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.925 0.714 -50.369 0.001 0.286 vasp
64 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.036 0.714 -50.366 0.001 0.286 vasp
65 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.233 0.714 -50.361 0.001 0.286 vasp
66 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.854 0.714 -50.374 0.001 0.286 vasp
67 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.921 0.714 -50.370 0.001 0.286 vasp
68 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.609 0.714 -50.379 0.001 0.286 vasp
69 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.079 0.714 -50.371 0.001 0.286 vasp
70 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.780 0.714 -50.379 0.001 0.286 vasp
71 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.898 0.714 -50.374 0.001 0.286 vasp
72 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.789 0.714 -50.379 0.001 0.286 vasp
73 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.708 0.714 -50.377 0.001 0.286 vasp
74 Au10Si4 yangxb 0.000 59M TTT 2082.006 1722.059 0.714 -50.369 0.001 0.286 vasp
75 Au10Si4 yangxb 0.000 59M TTT 2082.006 1721.863 0.714 -50.374 0.000 0.286 vasp