ASE database

Displaying rows 76-100 out of 594
↓ ID ✕ Formula ✕ Energy ✕ Calculator ✕ Maximum force ✕ Maximum stress ✕ slab_E ✕ str_E ✕
76 Au72Be -222.247 vasp 0.009 0.013 -218.527 -222.247
77 Au72B -224.037 vasp 0.006 0.012 -218.527 -224.037
78 Au72C -224.356 vasp 0.007 0.011 -218.527 -224.356
79 Au72N -223.581 vasp 0.009 0.012 -218.527 -223.581
80 Au72O -223.229 vasp 0.010 0.012 -218.527 -223.229
81 Au72F -222.245 vasp 0.009 0.012 -218.527 -222.245
82 Au72Ne -218.548 vasp 0.007 0.013 -218.527 -218.548
83 Au72Na -221.145 vasp 0.004 0.014 -218.527 -221.145
84 Au72Mg -220.986 vasp 0.005 0.013 -218.527 -220.986
85 AlAu72 -222.861 vasp 0.006 0.013 -218.527 -222.861
86 Au72Si -223.955 vasp 0.009 0.013 -218.527 -223.955
87 Au72P -223.843 vasp 0.007 0.012 -218.527 -223.843
88 Au72S -222.907 vasp 0.009 0.012 -218.527 -222.907
89 Au72Cl -221.497 vasp 0.010 0.012 -218.527 -221.497
90 Au72Ar -218.552 vasp 0.006 0.013 -218.527 -218.552
91 Au72H -221.957 vasp 0.008 0.013 -218.527 -221.957
92 Au72He -218.530 vasp 0.009 0.013 -218.527 -218.530
93 Au72Li -221.258 vasp 0.009 0.014 -218.527 -221.258
94 Au72Be -221.998 vasp 0.006 0.012 -218.527 -221.998
95 Au72B -224.163 vasp 0.007 0.012 -218.527 -224.163
96 Au72C -224.114 vasp 0.009 0.012 -218.527 -224.114
97 Au72N -223.914 vasp 0.010 0.013 -218.527 -223.914
98 Au72O -223.523 vasp 0.010 0.013 -218.527 -223.523
99 Au72F -222.402 vasp 0.009 0.013 -218.527 -222.402
100 Au72Ne -218.547 vasp 0.007 0.013 -218.527 -218.547