ASE database

Displaying rows 76-8 out of 8
Formula ✕ Age ✕ Mass ✕ Maximum stress ✕ PBC ✕ str_E ✕ distance ✕ Calculator ✕ Number of atoms ✕ ads_E ✕ Maximum force ✕
Au72Be 15M 14190.605 0.013 TTT -222.247 0.376 vasp 73 -3.681 0.009
Au72B 15M 14192.403 0.012 TTT -224.037 0.004 vasp 73 -5.161 0.006
Au72C 15M 14193.604 0.011 TTT -224.356 -0.057 vasp 73 -4.581 0.007
Au72N 15M 14195.600 0.012 TTT -223.581 1.019 vasp 73 -1.930 0.009
Au72O 15M 14197.592 0.012 TTT -223.229 1.128 vasp 73 -3.169 0.010
Au72F 15M 14200.591 0.012 TTT -222.245 1.287 vasp 73 -3.294 0.009
Au72Ne 15M 14201.773 0.013 TTT -218.548 3.219 vasp 73 -0.009 0.007
Au72Na 15M 14204.583 0.014 TTT -221.145 1.783 vasp 73 -2.393 0.004
Au72Mg 15M 14205.898 0.013 TTT -220.986 1.048 vasp 73 -2.455 0.005
AlAu72 15M 14208.575 0.013 TTT -222.861 0.555 vasp 73 -4.039 0.006
Au72Si 15M 14209.678 0.013 TTT -223.955 0.496 vasp 73 -4.598 0.009
Au72P 15M 14212.567 0.012 TTT -223.843 0.638 vasp 73 -3.429 0.007
Au72S 15M 14213.653 0.012 TTT -222.907 1.456 vasp 73 -3.435 0.009
Au72Cl 15M 14217.043 0.012 TTT -221.497 1.702 vasp 73 -2.727 0.010
Au72Ar 15M 14221.541 0.013 TTT -218.552 3.199 vasp 73 0.000 0.006
Au72H 15M 14182.601 0.013 TTT -221.957 1.011 vasp 73 -2.313 0.008
Au72He 15M 14185.596 0.013 TTT -218.530 3.531 vasp 73 -0.005 0.009
Au72Li 15M 14188.533 0.014 TTT -221.258 2.014 vasp 73 -2.432 0.009
Au72Be 15M 14190.605 0.012 TTT -221.998 0.794 vasp 73 -3.432 0.006
Au72B 15M 14192.403 0.012 TTT -224.163 -1.286 vasp 73 -5.288 0.007
Au72C 15M 14193.604 0.012 TTT -224.114 0.883 vasp 73 -4.339 0.009
Au72N 15M 14195.600 0.013 TTT -223.914 1.085 vasp 73 -2.263 0.010
Au72O 15M 14197.592 0.013 TTT -223.523 1.199 vasp 73 -3.463 0.010
Au72F 15M 14200.591 0.013 TTT -222.402 1.545 vasp 73 -3.451 0.009
Au72Ne 15M 14201.773 0.013 TTT -218.547 3.558 vasp 73 -0.007 0.007