ASE database

ID Formula Au_rate Energy Calculator PBC E Maximum force Maximum stress Charge
76 Au10Si4 0.714 -50.364 vasp TTT 0.237 0.010 0.001 0.000
77 Au10Si4 0.714 -50.370 vasp TTT 0.236 0.005 0.001 0.000
78 Au10Si4 0.714 -50.375 vasp TTT 0.236 0.010 0.001 0.000
79 Au10Si4 0.714 -50.371 vasp TTT 0.236 0.008 0.001 0.000
80 Au10Si4 0.714 -50.367 vasp TTT 0.236 0.008 0.001 0.000
81 Au10Si4 0.714 -50.366 vasp TTT 0.237 0.008 0.001 0.000
82 Au10Si4 0.714 -50.374 vasp TTT 0.236 0.010 0.001 0.000
83 Au10Si4 0.714 -50.371 vasp TTT 0.236 0.007 0.000 0.000
84 Au10Si4 0.714 -50.362 vasp TTT 0.237 0.008 0.001 0.000
85 Au10Si4 0.714 -50.366 vasp TTT 0.237 0.009 0.001 0.000
86 Au10Si4 0.714 -50.370 vasp TTT 0.236 0.006 0.001 0.000
87 Au10Si4 0.714 -50.370 vasp TTT 0.236 0.010 0.001 0.000
88 Au10Si4 0.714 -50.361 vasp TTT 0.237 0.007 0.001 0.000
89 Au20Si8 0.714 -100.835 vasp TTT 0.233 0.005 0.001 0.000
90 Au10Si6 0.625 -59.672 vasp TTT 0.303 0.008 0.001 0.000
91 Au10Si6 0.625 -59.676 vasp TTT 0.303 0.008 0.001 0.000
92 Au10Si6 0.625 -59.681 vasp TTT 0.303 0.009 0.001 0.000
93 Au10Si6 0.625 -59.679 vasp TTT 0.303 0.001 0.001 0.000
94 Au10Si6 0.625 -59.678 vasp TTT 0.303 0.008 0.001 0.000
95 Au10Si6 0.625 -59.678 vasp TTT 0.303 0.006 0.001 0.000
96 Au10Si6 0.625 -59.678 vasp TTT 0.303 0.010 0.001 0.000
97 Au10Si6 0.625 -59.681 vasp TTT 0.303 0.006 0.001 0.000
98 Au10Si6 0.625 -59.681 vasp TTT 0.303 0.008 0.000 0.000
99 Au10Si6 0.625 -59.682 vasp TTT 0.303 0.003 0.001 0.000
100 Au10Si6 0.625 -59.678 vasp TTT 0.303 0.006 0.001 0.000