ASE database

ID Formula Au_rate Energy Calculator PBC E Maximum force
26 Au10Si4 0.714 -50.373 vasp TTT 0.236 0.008
27 Au10Si4 0.714 -50.380 vasp TTT 0.236 0.006
28 Au10Si4 0.714 -50.378 vasp TTT 0.236 0.005
29 Au10Si4 0.714 -50.370 vasp TTT 0.236 0.009
30 Au10Si4 0.714 -50.379 vasp TTT 0.236 0.004
31 Au10Si4 0.714 -50.380 vasp TTT 0.236 0.005
32 Au10Si4 0.714 -50.383 vasp TTT 0.235 0.007
33 Au10Si4 0.714 -50.372 vasp TTT 0.236 0.003
34 Au10Si4 0.714 -50.365 vasp TTT 0.237 0.003
35 Au10Si4 0.714 -50.370 vasp TTT 0.236 0.010
36 Au10Si4 0.714 -50.375 vasp TTT 0.236 0.006
37 Au10Si4 0.714 -50.371 vasp TTT 0.236 0.010
38 Au10Si4 0.714 -50.378 vasp TTT 0.236 0.008
39 Au10Si4 0.714 -50.380 vasp TTT 0.236 0.008
40 Au10Si4 0.714 -50.379 vasp TTT 0.236 0.004
41 Au10Si4 0.714 -50.380 vasp TTT 0.236 0.006
42 Au10Si4 0.714 -50.381 vasp TTT 0.235 0.009
43 Au10Si4 0.714 -50.378 vasp TTT 0.236 0.005
44 Au10Si4 0.714 -50.365 vasp TTT 0.237 0.005
45 Au10Si4 0.714 -50.382 vasp TTT 0.235 0.006
46 Au10Si4 0.714 -50.373 vasp TTT 0.236 0.004
47 Au10Si4 0.714 -50.376 vasp TTT 0.236 0.006
48 Au10Si4 0.714 -50.381 vasp TTT 0.235 0.004
49 Au10Si4 0.714 -50.377 vasp TTT 0.236 0.005
50 Au10Si4 0.714 -50.373 vasp TTT 0.236 0.005